NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
654816 |
6tt6   |
34470 | cing | 3-converted-DOCR | STAR | entry | full | 13 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_6tt6
# This DOCR archive file contains, for PDB entry <6tt6>:
#
# - 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 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.
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_6tt6
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 6tt6"
_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 6tt6"
_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 6tt6 "Master copy" rr_6tt6
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_6tt6
_Assembly.ID 1
_Assembly.Name 6tt6
_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 1028.1294
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 "PD i6 peptide" 1 $PD_i6_peptide A . no . . . . . . rr_6tt6 1
stop_
save_
save_PD_i6_peptide
_Entity.Sf_category entity
_Entity.Sf_framecode PD_i6_peptide
_Entity.Entry_ID rr_6tt6
_Entity.ID 1
_Entity.Name PD_i6_peptide
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code WXVXEAXD
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 8
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 1028.1294
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 . TRP . rr_6tt6 1
2 . DTR . rr_6tt6 1
3 . VAL . rr_6tt6 1
4 . DPR . rr_6tt6 1
5 . GLU . rr_6tt6 1
6 . ALA . rr_6tt6 1
7 . . . rr_6tt6 1
8 . ASP . rr_6tt6 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
. TRP 1 1 rr_6tt6 1
. DTR 2 2 rr_6tt6 1
. VAL 3 3 rr_6tt6 1
. DPR 4 4 rr_6tt6 1
. GLU 5 5 rr_6tt6 1
. ALA 6 6 rr_6tt6 1
. . 7 7 rr_6tt6 1
. ASP 8 8 rr_6tt6 1
stop_
save_
save_chem_comp_DTR
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DTR
_Chem_comp.Entry_ID rr_6tt6
_Chem_comp.ID DTR
_Chem_comp.Name D-tryptophan
_Chem_comp.Type "L-peptide linking"
_Chem_comp.PDB_code DTR
_Chem_comp.Std_deriv_one_letter_code W
_Chem_comp.Std_deriv_three_letter_code Trp
_Chem_comp.Std_deriv_PDB_code TRP
_Chem_comp.Std_deriv_chem_comp_name TRYPTOPHAN
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic yes
_Chem_comp.Formula "C11 H10 N2 O"
_Chem_comp.Formula_weight 186.2128
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
D-tryptophan name rr_6tt6 DTR
stop_
save_
save_chem_comp_DPR
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DPR
_Chem_comp.Entry_ID rr_6tt6
_Chem_comp.ID DPR
_Chem_comp.Name D-proline
_Chem_comp.Type "L-peptide linking"
_Chem_comp.PDB_code DPR
_Chem_comp.Std_deriv_one_letter_code P
_Chem_comp.Std_deriv_three_letter_code Pro
_Chem_comp.Std_deriv_PDB_code PRO
_Chem_comp.Std_deriv_chem_comp_name PROLINE
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C5 H7 N O"
_Chem_comp.Formula_weight 97.1164
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
L-proline name rr_6tt6 DPR
stop_
save_
save_chem_comp_DLY
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DLY
_Chem_comp.Entry_ID rr_6tt6
_Chem_comp.ID 1
_Chem_comp.Name Dly
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C6 H13 N2 O"
_Chem_comp.Formula_weight 129.1815
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_6tt6
_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_
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_6tt6
_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_6tt6 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_6tt6 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 TRP C C 6.031 8.370 -0.006 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_6tt6 1
. 1 . 2 . 1 1 1 TRP CA C 6.252 9.704 0.701 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_6tt6 1
. 1 . 3 . 1 1 1 TRP CB C 5.475 10.801 -0.029 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_6tt6 1
. 1 . 4 . 1 1 1 TRP CD1 C 6.353 13.044 0.737 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_6tt6 1
. 1 . 5 . 1 1 1 TRP CD2 C 4.490 12.424 1.834 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_6tt6 1
. 1 . 6 . 1 1 1 TRP CE2 C 4.869 13.683 2.357 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_6tt6 1
. 1 . 7 . 1 1 1 TRP CE3 C 3.339 11.808 2.358 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_6tt6 1
. 1 . 8 . 1 1 1 TRP CG C 5.450 12.039 0.808 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_6tt6 1
. 1 . 9 . 1 1 1 TRP CH2 C 2.991 13.683 3.872 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_6tt6 1
. 1 . 10 . 1 1 1 TRP CZ2 C 4.132 14.309 3.363 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_6tt6 1
. 1 . 11 . 1 1 1 TRP CZ3 C 2.595 12.436 3.371 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_6tt6 1
. 1 . 12 . 1 1 1 TRP H1 H 8.098 10.231 1.598 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_6tt6 1
. 1 . 13 . 1 1 1 TRP HA H 5.882 9.630 1.712 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_6tt6 1
. 1 . 14 . 1 1 1 TRP HB2 H 5.955 11.015 -0.973 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_6tt6 1
. 1 . 15 . 1 1 1 TRP HB3 H 4.463 10.468 -0.208 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_6tt6 1
. 1 . 16 . 1 1 1 TRP HD1 H 7.204 13.078 0.073 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_6tt6 1
. 1 . 17 . 1 1 1 TRP HE1 H 6.504 14.852 1.807 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_6tt6 1
. 1 . 18 . 1 1 1 TRP HE3 H 3.025 10.847 1.979 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_6tt6 1
. 1 . 19 . 1 1 1 TRP HH2 H 2.415 14.161 4.650 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_6tt6 1
. 1 . 20 . 1 1 1 TRP HZ2 H 4.442 15.270 3.746 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_6tt6 1
. 1 . 21 . 1 1 1 TRP HZ3 H 1.712 11.954 3.765 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_6tt6 1
. 1 . 22 . 1 1 1 TRP N N 7.671 10.041 0.737 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_6tt6 1
. 1 . 23 . 1 1 1 TRP NE1 N 6.011 14.019 1.657 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_6tt6 1
. 1 . 24 . 1 1 1 TRP O O 6.973 7.756 -0.507 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_6tt6 1
. 1 . 25 . 1 1 2 DTR C C 4.139 5.592 0.345 . . . 1.0 . . . . . . . . . . . . A . 2 DTR C . . . . . . . . . rr_6tt6 1
. 1 . 26 . 1 1 2 DTR CA C 4.439 6.668 -0.694 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CA . . . . . . . . . rr_6tt6 1
. 1 . 27 . 1 1 2 DTR CB C 3.228 6.861 -1.611 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CB . . . . . . . . . rr_6tt6 1
. 1 . 28 . 1 1 2 DTR CD1 C 3.803 9.110 -2.611 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD1 . . . . . . . . . rr_6tt6 1
. 1 . 29 . 1 1 2 DTR CD2 C 1.947 9.178 -1.341 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD2 . . . . . . . . . rr_6tt6 1
. 1 . 30 . 1 1 2 DTR CE2 C 2.151 10.489 -1.833 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE2 . . . . . . . . . rr_6tt6 1
. 1 . 31 . 1 1 2 DTR CE3 C 0.837 8.947 -0.508 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE3 . . . . . . . . . rr_6tt6 1
. 1 . 32 . 1 1 2 DTR CG C 3.010 8.321 -1.850 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CG . . . . . . . . . rr_6tt6 1
. 1 . 33 . 1 1 2 DTR CH2 C 0.186 11.287 -0.682 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CH2 . . . . . . . . . rr_6tt6 1
. 1 . 34 . 1 1 2 DTR CZ2 C 1.284 11.534 -1.511 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ2 . . . . . . . . . rr_6tt6 1
. 1 . 35 . 1 1 2 DTR CZ3 C -0.038 9.996 -0.182 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ3 . . . . . . . . . rr_6tt6 1
. 1 . 36 . 1 1 2 DTR H H 4.068 8.462 0.372 . . . 1.0 . . . . . . . . . . . . A . 2 DTR H . . . . . . . . . rr_6tt6 1
. 1 . 37 . 1 1 2 DTR HA H 5.279 6.349 -1.293 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HA . . . . . . . . . rr_6tt6 1
. 1 . 38 . 1 1 2 DTR HB2 H 2.350 6.440 -1.144 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB2 . . . . . . . . . rr_6tt6 1
. 1 . 39 . 1 1 2 DTR HB3 H 3.407 6.365 -2.553 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB3 . . . . . . . . . rr_6tt6 1
. 1 . 40 . 1 1 2 DTR HD1 H 4.688 8.788 -3.139 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HD1 . . . . . . . . . rr_6tt6 1
. 1 . 41 . 1 1 2 DTR HE1 H 3.682 11.161 -3.076 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE1 . . . . . . . . . rr_6tt6 1
. 1 . 42 . 1 1 2 DTR HE3 H 0.656 7.956 -0.118 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE3 . . . . . . . . . rr_6tt6 1
. 1 . 43 . 1 1 2 DTR HH2 H -0.491 12.090 -0.428 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HH2 . . . . . . . . . rr_6tt6 1
. 1 . 44 . 1 1 2 DTR HZ2 H 1.460 12.526 -1.899 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ2 . . . . . . . . . rr_6tt6 1
. 1 . 45 . 1 1 2 DTR HZ3 H -0.887 9.808 0.458 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ3 . . . . . . . . . rr_6tt6 1
. 1 . 46 . 1 1 2 DTR N N 4.778 7.930 -0.044 . . . 1.0 . . . . . . . . . . . . A . 2 DTR N . . . . . . . . . rr_6tt6 1
. 1 . 47 . 1 1 2 DTR NE1 N 3.294 10.396 -2.602 . . . 1.0 . . . . . . . . . . . . A . 2 DTR NE1 . . . . . . . . . rr_6tt6 1
. 1 . 48 . 1 1 2 DTR O O 3.228 4.782 0.174 . . . 1.0 . . . . . . . . . . . . A . 2 DTR O . . . . . . . . . rr_6tt6 1
. 1 . 49 . 1 1 3 VAL C C 4.784 5.275 3.855 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_6tt6 1
. 1 . 50 . 1 1 3 VAL CA C 4.726 4.604 2.484 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_6tt6 1
. 1 . 51 . 1 1 3 VAL CB C 5.811 3.530 2.397 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_6tt6 1
. 1 . 52 . 1 1 3 VAL CG1 C 5.486 2.396 3.370 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_6tt6 1
. 1 . 53 . 1 1 3 VAL CG2 C 5.866 2.977 0.971 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_6tt6 1
. 1 . 54 . 1 1 3 VAL H H 5.629 6.254 1.507 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_6tt6 1
. 1 . 55 . 1 1 3 VAL HA H 3.763 4.134 2.360 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_6tt6 1
. 1 . 56 . 1 1 3 VAL HB H 6.767 3.962 2.655 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_6tt6 1
. 1 . 57 . 1 1 3 VAL HG11 H 6.158 1.568 3.195 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_6tt6 1
. 1 . 58 . 1 1 3 VAL HG12 H 4.467 2.071 3.218 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_6tt6 1
. 1 . 59 . 1 1 3 VAL HG13 H 5.604 2.747 4.385 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_6tt6 1
. 1 . 60 . 1 1 3 VAL HG21 H 4.869 2.718 0.647 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_6tt6 1
. 1 . 61 . 1 1 3 VAL HG22 H 6.492 2.097 0.950 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_6tt6 1
. 1 . 62 . 1 1 3 VAL HG23 H 6.276 3.726 0.310 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_6tt6 1
. 1 . 63 . 1 1 3 VAL N N 4.916 5.587 1.424 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_6tt6 1
. 1 . 64 . 1 1 3 VAL O O 5.793 5.187 4.555 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_6tt6 1
. 1 . 65 . 1 1 4 DPR C C 4.802 7.628 5.742 . . . 1.0 . . . . . . . . . . . . A . 4 DPR C . . . . . . . . . rr_6tt6 1
. 1 . 66 . 1 1 4 DPR CA C 3.659 6.635 5.565 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CA . . . . . . . . . rr_6tt6 1
. 1 . 67 . 1 1 4 DPR CB C 2.304 7.356 5.546 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CB . . . . . . . . . rr_6tt6 1
. 1 . 68 . 1 1 4 DPR CD C 2.490 6.109 3.481 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CD . . . . . . . . . rr_6tt6 1
. 1 . 69 . 1 1 4 DPR CG C 1.846 7.333 4.124 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CG . . . . . . . . . rr_6tt6 1
. 1 . 70 . 1 1 4 DPR HA H 3.669 5.913 6.366 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HA . . . . . . . . . rr_6tt6 1
. 1 . 71 . 1 1 4 DPR HB2 H 2.420 8.377 5.878 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB2 . . . . . . . . . rr_6tt6 1
. 1 . 72 . 1 1 4 DPR HB3 H 1.597 6.835 6.176 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB3 . . . . . . . . . rr_6tt6 1
. 1 . 73 . 1 1 4 DPR HD2 H 2.715 6.296 2.442 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD2 . . . . . . . . . rr_6tt6 1
. 1 . 74 . 1 1 4 DPR HD3 H 1.849 5.243 3.587 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD3 . . . . . . . . . rr_6tt6 1
. 1 . 75 . 1 1 4 DPR HG2 H 2.175 8.226 3.614 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG2 . . . . . . . . . rr_6tt6 1
. 1 . 76 . 1 1 4 DPR HG3 H 0.768 7.255 4.084 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG3 . . . . . . . . . rr_6tt6 1
. 1 . 77 . 1 1 4 DPR N N 3.728 5.939 4.247 . . . 1.0 . . . . . . . . . . . . A . 4 DPR N . . . . . . . . . rr_6tt6 1
. 1 . 78 . 1 1 4 DPR O O 5.513 7.600 6.747 . . . 1.0 . . . . . . . . . . . . A . 4 DPR O . . . . . . . . . rr_6tt6 1
. 1 . 79 . 1 1 5 GLU C C 7.388 8.823 5.027 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_6tt6 1
. 1 . 80 . 1 1 5 GLU CA C 6.037 9.496 4.811 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_6tt6 1
. 1 . 81 . 1 1 5 GLU CB C 5.770 10.482 5.949 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_6tt6 1
. 1 . 82 . 1 1 5 GLU CD C 4.192 12.229 6.794 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_6tt6 1
. 1 . 83 . 1 1 5 GLU CG C 4.551 11.341 5.608 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_6tt6 1
. 1 . 84 . 1 1 5 GLU H H 4.379 8.474 3.978 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_6tt6 1
. 1 . 85 . 1 1 5 GLU HA H 6.060 10.038 3.878 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_6tt6 1
. 1 . 86 . 1 1 5 GLU HB2 H 5.581 9.935 6.860 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_6tt6 1
. 1 . 87 . 1 1 5 GLU HB3 H 6.632 11.119 6.082 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_6tt6 1
. 1 . 88 . 1 1 5 GLU HG2 H 4.777 11.960 4.752 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_6tt6 1
. 1 . 89 . 1 1 5 GLU HG3 H 3.714 10.699 5.375 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_6tt6 1
. 1 . 90 . 1 1 5 GLU N N 4.975 8.501 4.756 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_6tt6 1
. 1 . 91 . 1 1 5 GLU O O 8.223 9.316 5.785 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_6tt6 1
. 1 . 92 . 1 1 5 GLU OE1 O 4.750 12.017 7.858 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_6tt6 1
. 1 . 93 . 1 1 5 GLU OE2 O 3.364 13.109 6.621 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . rr_6tt6 1
. 1 . 94 . 1 1 6 ALA C C 9.941 7.619 3.645 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6tt6 1
. 1 . 95 . 1 1 6 ALA CA C 8.851 6.962 4.486 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6tt6 1
. 1 . 96 . 1 1 6 ALA CB C 8.660 5.513 4.036 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6tt6 1
. 1 . 97 . 1 1 6 ALA H H 6.893 7.345 3.769 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6tt6 1
. 1 . 98 . 1 1 6 ALA HA H 9.155 6.968 5.522 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6tt6 1
. 1 . 99 . 1 1 6 ALA HB1 H 8.084 4.978 4.776 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6tt6 1
. 1 . 100 . 1 1 6 ALA HB2 H 9.625 5.042 3.921 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6tt6 1
. 1 . 101 . 1 1 6 ALA HB3 H 8.137 5.496 3.091 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6tt6 1
. 1 . 102 . 1 1 6 ALA N N 7.596 7.693 4.357 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6tt6 1
. 1 . 103 . 1 1 6 ALA O O 10.506 6.996 2.746 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6tt6 1
. 1 . 104 . 1 1 7 . C C 10.642 10.427 2.086 . . . 1.0 . . . . . . . . . . . . A . 7 DLY C . . . . . . . . . rr_6tt6 1
. 1 . 105 . 1 1 7 . CA C 11.262 9.613 3.219 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CA . . . . . . . . . rr_6tt6 1
. 1 . 106 . 1 1 7 . CB C 12.007 10.547 4.176 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CB . . . . . . . . . rr_6tt6 1
. 1 . 107 . 1 1 7 . CD C 13.808 12.269 4.368 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CD . . . . . . . . . rr_6tt6 1
. 1 . 108 . 1 1 7 . CE C 14.924 12.998 3.619 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CE . . . . . . . . . rr_6tt6 1
. 1 . 109 . 1 1 7 . CG C 13.083 11.322 3.410 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CG . . . . . . . . . rr_6tt6 1
. 1 . 110 . 1 1 7 . H H 9.753 9.323 4.677 . . . 1.0 . . . . . . . . . . . . A . 7 DLY H . . . . . . . . . rr_6tt6 1
. 1 . 111 . 1 1 7 . HA H 11.965 8.909 2.801 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HA . . . . . . . . . rr_6tt6 1
. 1 . 112 . 1 1 7 . HB2 H 12.474 9.964 4.956 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB2 . . . . . . . . . rr_6tt6 1
. 1 . 113 . 1 1 7 . HB3 H 11.307 11.242 4.616 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB3 . . . . . . . . . rr_6tt6 1
. 1 . 114 . 1 1 7 . HD2 H 14.234 11.702 5.182 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD2 . . . . . . . . . rr_6tt6 1
. 1 . 115 . 1 1 7 . HD3 H 13.105 12.990 4.761 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD3 . . . . . . . . . rr_6tt6 1
. 1 . 116 . 1 1 7 . HE2 H 15.601 12.275 3.188 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE2 . . . . . . . . . rr_6tt6 1
. 1 . 117 . 1 1 7 . HE3 H 15.465 13.632 4.306 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE3 . . . . . . . . . rr_6tt6 1
. 1 . 118 . 1 1 7 . HG2 H 12.623 11.896 2.621 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG2 . . . . . . . . . rr_6tt6 1
. 1 . 119 . 1 1 7 . HG3 H 13.792 10.627 2.984 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG3 . . . . . . . . . rr_6tt6 1
. 1 . 120 . 1 1 7 . HZ1 H 13.989 13.216 1.771 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ1 . . . . . . . . . rr_6tt6 1
. 1 . 121 . 1 1 7 . HZ2 H 15.058 14.478 2.160 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ2 . . . . . . . . . rr_6tt6 1
. 1 . 122 . 1 1 7 . HZ3 H 13.539 14.385 2.915 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ3 . . . . . . . . . rr_6tt6 1
. 1 . 123 . 1 1 7 . N N 10.234 8.879 3.948 . . . 1.0 . . . . . . . . . . . . A . 7 DLY N . . . . . . . . . rr_6tt6 1
. 1 . 124 . 1 1 7 . NZ N 14.333 13.832 2.534 . . . 1.0 . . . . . . . . . . . . A . 7 DLY NZ . . . . . . . . . rr_6tt6 1
. 1 . 125 . 1 1 7 . O O 10.356 11.613 2.248 . . . 1.0 . . . . . . . . . . . . A . 7 DLY O . . . . . . . . . rr_6tt6 1
. 1 . 126 . 1 1 8 ASP C C 8.391 10.098 -0.378 . . . 1.0 . . . . . . . . . . . . A . 8 ASP C . . . . . . . . . rr_6tt6 1
. 1 . 127 . 1 1 8 ASP CA C 9.863 10.465 -0.214 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CA . . . . . . . . . rr_6tt6 1
. 1 . 128 . 1 1 8 ASP CB C 10.630 10.084 -1.483 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CB . . . . . . . . . rr_6tt6 1
. 1 . 129 . 1 1 8 ASP CG C 10.380 11.117 -2.578 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CG . . . . . . . . . rr_6tt6 1
. 1 . 130 . 1 1 8 ASP H H 10.695 8.840 0.866 . . . 1.0 . . . . . . . . . . . . A . 8 ASP H . . . . . . . . . rr_6tt6 1
. 1 . 131 . 1 1 8 ASP HA H 9.943 11.531 -0.066 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HA . . . . . . . . . rr_6tt6 1
. 1 . 132 . 1 1 8 ASP HB2 H 11.687 10.043 -1.263 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB2 . . . . . . . . . rr_6tt6 1
. 1 . 133 . 1 1 8 ASP HB3 H 10.297 9.115 -1.824 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB3 . . . . . . . . . rr_6tt6 1
. 1 . 134 . 1 1 8 ASP N N 10.444 9.785 0.939 . . . 1.0 . . . . . . . . . . . . A . 8 ASP N . . . . . . . . . rr_6tt6 1
. 1 . 135 . 1 1 8 ASP O O 7.919 9.874 -1.492 . . . 1.0 . . . . . . . . . . . . A . 8 ASP O . . . . . . . . . rr_6tt6 1
. 1 . 136 . 1 1 8 ASP OD1 O 9.777 12.135 -2.280 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD1 . . . . . . . . . rr_6tt6 1
. 1 . 137 . 1 1 8 ASP OD2 O 10.797 10.875 -3.698 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD2 . . . . . . . . . rr_6tt6 1
. 2 . 138 . 1 1 1 TRP C C 6.776 7.483 -1.146 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_6tt6 1
. 2 . 139 . 1 1 1 TRP CA C 8.150 6.869 -0.902 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_6tt6 1
. 2 . 140 . 1 1 1 TRP CB C 8.034 5.742 0.129 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_6tt6 1
. 2 . 141 . 1 1 1 TRP CD1 C 7.060 4.303 -1.711 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_6tt6 1
. 2 . 142 . 1 1 1 TRP CD2 C 8.185 3.104 -0.177 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_6tt6 1
. 2 . 143 . 1 1 1 TRP CE2 C 7.700 2.184 -1.136 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_6tt6 1
. 2 . 144 . 1 1 1 TRP CE3 C 8.933 2.602 0.904 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_6tt6 1
. 2 . 145 . 1 1 1 TRP CG C 7.766 4.443 -0.565 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_6tt6 1
. 2 . 146 . 1 1 1 TRP CH2 C 8.691 0.333 0.054 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_6tt6 1
. 2 . 147 . 1 1 1 TRP CZ2 C 7.947 0.814 -1.026 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_6tt6 1
. 2 . 148 . 1 1 1 TRP CZ3 C 9.183 1.225 1.018 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_6tt6 1
. 2 . 149 . 1 1 1 TRP H1 H 9.434 7.825 0.486 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_6tt6 1
. 2 . 150 . 1 1 1 TRP HA H 8.520 6.459 -1.828 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_6tt6 1
. 2 . 151 . 1 1 1 TRP HB2 H 8.959 5.667 0.683 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_6tt6 1
. 2 . 152 . 1 1 1 TRP HB3 H 7.225 5.958 0.811 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_6tt6 1
. 2 . 153 . 1 1 1 TRP HD1 H 6.603 5.106 -2.270 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_6tt6 1
. 2 . 154 . 1 1 1 TRP HE1 H 6.572 2.592 -2.839 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_6tt6 1
. 2 . 155 . 1 1 1 TRP HE3 H 9.315 3.281 1.652 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_6tt6 1
. 2 . 156 . 1 1 1 TRP HH2 H 8.887 -0.725 0.147 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_6tt6 1
. 2 . 157 . 1 1 1 TRP HZ2 H 7.565 0.132 -1.772 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_6tt6 1
. 2 . 158 . 1 1 1 TRP HZ3 H 9.758 0.851 1.852 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_6tt6 1
. 2 . 159 . 1 1 1 TRP N N 9.084 7.883 -0.427 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_6tt6 1
. 2 . 160 . 1 1 1 TRP NE1 N 7.020 2.963 -2.051 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_6tt6 1
. 2 . 161 . 1 1 1 TRP O O 6.294 7.524 -2.277 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_6tt6 1
. 2 . 162 . 1 1 2 DTR C C 3.890 7.997 0.874 . . . 1.0 . . . . . . . . . . . . A . 2 DTR C . . . . . . . . . rr_6tt6 1
. 2 . 163 . 1 1 2 DTR CA C 4.833 8.569 -0.182 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CA . . . . . . . . . rr_6tt6 1
. 2 . 164 . 1 1 2 DTR CB C 4.951 10.083 0.001 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CB . . . . . . . . . rr_6tt6 1
. 2 . 165 . 1 1 2 DTR CD1 C 4.448 11.169 -2.222 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD1 . . . . . . . . . rr_6tt6 1
. 2 . 166 . 1 1 2 DTR CD2 C 2.675 11.177 -0.837 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD2 . . . . . . . . . rr_6tt6 1
. 2 . 167 . 1 1 2 DTR CE2 C 2.259 11.807 -2.034 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE2 . . . . . . . . . rr_6tt6 1
. 2 . 168 . 1 1 2 DTR CE3 C 1.740 11.054 0.206 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE3 . . . . . . . . . rr_6tt6 1
. 2 . 169 . 1 1 2 DTR CG C 4.068 10.778 -0.985 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CG . . . . . . . . . rr_6tt6 1
. 2 . 170 . 1 1 2 DTR CH2 C 0.046 12.166 -1.143 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CH2 . . . . . . . . . rr_6tt6 1
. 2 . 171 . 1 1 2 DTR CZ2 C 0.962 12.297 -2.191 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ2 . . . . . . . . . rr_6tt6 1
. 2 . 172 . 1 1 2 DTR CZ3 C 0.434 11.547 0.053 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ3 . . . . . . . . . rr_6tt6 1
. 2 . 173 . 1 1 2 DTR H H 6.584 7.899 0.802 . . . 1.0 . . . . . . . . . . . . A . 2 DTR H . . . . . . . . . rr_6tt6 1
. 2 . 174 . 1 1 2 DTR HA H 4.428 8.366 -1.162 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HA . . . . . . . . . rr_6tt6 1
. 2 . 175 . 1 1 2 DTR HB2 H 5.976 10.386 -0.158 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB2 . . . . . . . . . rr_6tt6 1
. 2 . 176 . 1 1 2 DTR HB3 H 4.649 10.350 1.003 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB3 . . . . . . . . . rr_6tt6 1
. 2 . 177 . 1 1 2 DTR HD1 H 5.428 11.026 -2.653 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HD1 . . . . . . . . . rr_6tt6 1
. 2 . 178 . 1 1 2 DTR HE1 H 3.383 12.146 -3.755 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE1 . . . . . . . . . rr_6tt6 1
. 2 . 179 . 1 1 2 DTR HE3 H 2.028 10.580 1.132 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE3 . . . . . . . . . rr_6tt6 1
. 2 . 180 . 1 1 2 DTR HH2 H -0.959 12.543 -1.255 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HH2 . . . . . . . . . rr_6tt6 1
. 2 . 181 . 1 1 2 DTR HZ2 H 0.668 12.773 -3.114 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ2 . . . . . . . . . rr_6tt6 1
. 2 . 182 . 1 1 2 DTR HZ3 H -0.276 11.448 0.861 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ3 . . . . . . . . . rr_6tt6 1
. 2 . 183 . 1 1 2 DTR N N 6.151 7.959 -0.076 . . . 1.0 . . . . . . . . . . . . A . 2 DTR N . . . . . . . . . rr_6tt6 1
. 2 . 184 . 1 1 2 DTR NE1 N 3.374 11.776 -2.847 . . . 1.0 . . . . . . . . . . . . A . 2 DTR NE1 . . . . . . . . . rr_6tt6 1
. 2 . 185 . 1 1 2 DTR O O 2.874 8.606 1.207 . . . 1.0 . . . . . . . . . . . . A . 2 DTR O . . . . . . . . . rr_6tt6 1
. 2 . 186 . 1 1 3 VAL C C 4.261 5.807 3.628 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_6tt6 1
. 2 . 187 . 1 1 3 VAL CA C 3.407 6.184 2.418 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_6tt6 1
. 2 . 188 . 1 1 3 VAL CB C 2.745 4.930 1.844 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_6tt6 1
. 2 . 189 . 1 1 3 VAL CG1 C 1.832 5.319 0.681 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_6tt6 1
. 2 . 190 . 1 1 3 VAL CG2 C 3.826 3.969 1.344 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_6tt6 1
. 2 . 191 . 1 1 3 VAL H H 5.053 6.379 1.100 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_6tt6 1
. 2 . 192 . 1 1 3 VAL HA H 2.639 6.877 2.721 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_6tt6 1
. 2 . 193 . 1 1 3 VAL HB H 2.161 4.447 2.615 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_6tt6 1
. 2 . 194 . 1 1 3 VAL HG11 H 2.389 5.910 -0.031 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_6tt6 1
. 2 . 195 . 1 1 3 VAL HG12 H 0.999 5.896 1.055 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_6tt6 1
. 2 . 196 . 1 1 3 VAL HG13 H 1.463 4.426 0.198 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_6tt6 1
. 2 . 197 . 1 1 3 VAL HG21 H 3.366 3.050 1.013 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_6tt6 1
. 2 . 198 . 1 1 3 VAL HG22 H 4.519 3.757 2.144 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_6tt6 1
. 2 . 199 . 1 1 3 VAL HG23 H 4.357 4.422 0.520 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_6tt6 1
. 2 . 200 . 1 1 3 VAL N N 4.232 6.823 1.400 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_6tt6 1
. 2 . 201 . 1 1 3 VAL O O 5.478 5.659 3.509 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_6tt6 1
. 2 . 202 . 1 1 4 DPR C C 5.337 6.428 6.464 . . . 1.0 . . . . . . . . . . . . A . 4 DPR C . . . . . . . . . rr_6tt6 1
. 2 . 203 . 1 1 4 DPR CA C 4.406 5.302 6.025 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CA . . . . . . . . . rr_6tt6 1
. 2 . 204 . 1 1 4 DPR CB C 3.309 5.058 7.066 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CB . . . . . . . . . rr_6tt6 1
. 2 . 205 . 1 1 4 DPR CD C 2.218 5.809 5.034 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CD . . . . . . . . . rr_6tt6 1
. 2 . 206 . 1 1 4 DPR CG C 2.101 5.772 6.556 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CG . . . . . . . . . rr_6tt6 1
. 2 . 207 . 1 1 4 DPR HA H 4.966 4.394 5.874 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HA . . . . . . . . . rr_6tt6 1
. 2 . 208 . 1 1 4 DPR HB2 H 3.603 5.466 8.021 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB2 . . . . . . . . . rr_6tt6 1
. 2 . 209 . 1 1 4 DPR HB3 H 3.110 3.999 7.155 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB3 . . . . . . . . . rr_6tt6 1
. 2 . 210 . 1 1 4 DPR HD2 H 1.870 6.755 4.652 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD2 . . . . . . . . . rr_6tt6 1
. 2 . 211 . 1 1 4 DPR HD3 H 1.665 4.990 4.593 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD3 . . . . . . . . . rr_6tt6 1
. 2 . 212 . 1 1 4 DPR HG2 H 2.075 6.778 6.942 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG2 . . . . . . . . . rr_6tt6 1
. 2 . 213 . 1 1 4 DPR HG3 H 1.207 5.237 6.850 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG3 . . . . . . . . . rr_6tt6 1
. 2 . 214 . 1 1 4 DPR N N 3.661 5.658 4.783 . . . 1.0 . . . . . . . . . . . . A . 4 DPR N . . . . . . . . . rr_6tt6 1
. 2 . 215 . 1 1 4 DPR O O 6.324 6.196 7.163 . . . 1.0 . . . . . . . . . . . . A . 4 DPR O . . . . . . . . . rr_6tt6 1
. 2 . 216 . 1 1 5 GLU C C 7.276 8.592 5.960 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_6tt6 1
. 2 . 217 . 1 1 5 GLU CA C 5.828 8.806 6.388 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_6tt6 1
. 2 . 218 . 1 1 5 GLU CB C 5.768 9.053 7.896 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_6tt6 1
. 2 . 219 . 1 1 5 GLU CD C 4.258 9.647 9.801 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_6tt6 1
. 2 . 220 . 1 1 5 GLU CG C 4.341 9.436 8.294 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_6tt6 1
. 2 . 221 . 1 1 5 GLU H H 4.219 7.767 5.485 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_6tt6 1
. 2 . 222 . 1 1 5 GLU HA H 5.436 9.673 5.877 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_6tt6 1
. 2 . 223 . 1 1 5 GLU HB2 H 6.060 8.155 8.419 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_6tt6 1
. 2 . 224 . 1 1 5 GLU HB3 H 6.440 9.858 8.157 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_6tt6 1
. 2 . 225 . 1 1 5 GLU HG2 H 4.062 10.350 7.788 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_6tt6 1
. 2 . 226 . 1 1 5 GLU HG3 H 3.665 8.646 8.005 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_6tt6 1
. 2 . 227 . 1 1 5 GLU N N 5.016 7.646 6.043 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_6tt6 1
. 2 . 228 . 1 1 5 GLU O O 8.200 9.118 6.580 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_6tt6 1
. 2 . 229 . 1 1 5 GLU OE1 O 3.213 10.074 10.263 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_6tt6 1
. 2 . 230 . 1 1 5 GLU OE2 O 5.240 9.376 10.473 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . rr_6tt6 1
. 2 . 231 . 1 1 6 ALA C C 9.474 8.843 3.940 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6tt6 1
. 2 . 232 . 1 1 6 ALA CA C 8.801 7.549 4.386 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6tt6 1
. 2 . 233 . 1 1 6 ALA CB C 8.726 6.578 3.207 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6tt6 1
. 2 . 234 . 1 1 6 ALA H H 6.687 7.434 4.439 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6tt6 1
. 2 . 235 . 1 1 6 ALA HA H 9.391 7.101 5.172 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6tt6 1
. 2 . 236 . 1 1 6 ALA HB1 H 8.379 5.616 3.555 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6tt6 1
. 2 . 237 . 1 1 6 ALA HB2 H 9.707 6.469 2.767 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6tt6 1
. 2 . 238 . 1 1 6 ALA HB3 H 8.040 6.963 2.468 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6tt6 1
. 2 . 239 . 1 1 6 ALA N N 7.463 7.822 4.894 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6tt6 1
. 2 . 240 . 1 1 6 ALA O O 10.666 9.047 4.165 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6tt6 1
. 2 . 241 . 1 1 7 . C C 9.390 10.951 1.308 . . . 1.0 . . . . . . . . . . . . A . 7 DLY C . . . . . . . . . rr_6tt6 1
. 2 . 242 . 1 1 7 . CA C 9.219 10.986 2.823 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CA . . . . . . . . . rr_6tt6 1
. 2 . 243 . 1 1 7 . CB C 8.264 12.118 3.207 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CB . . . . . . . . . rr_6tt6 1
. 2 . 244 . 1 1 7 . CD C 8.022 14.599 3.428 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CD . . . . . . . . . rr_6tt6 1
. 2 . 245 . 1 1 7 . CE C 6.840 14.714 2.463 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CE . . . . . . . . . rr_6tt6 1
. 2 . 246 . 1 1 7 . CG C 8.949 13.468 2.977 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CG . . . . . . . . . rr_6tt6 1
. 2 . 247 . 1 1 7 . H H 7.753 9.493 3.152 . . . 1.0 . . . . . . . . . . . . A . 7 DLY H . . . . . . . . . rr_6tt6 1
. 2 . 248 . 1 1 7 . HA H 10.179 11.168 3.282 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HA . . . . . . . . . rr_6tt6 1
. 2 . 249 . 1 1 7 . HB2 H 7.996 12.027 4.249 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB2 . . . . . . . . . rr_6tt6 1
. 2 . 250 . 1 1 7 . HB3 H 7.374 12.056 2.599 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB3 . . . . . . . . . rr_6tt6 1
. 2 . 251 . 1 1 7 . HD2 H 8.569 15.531 3.436 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD2 . . . . . . . . . rr_6tt6 1
. 2 . 252 . 1 1 7 . HD3 H 7.656 14.389 4.423 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD3 . . . . . . . . . rr_6tt6 1
. 2 . 253 . 1 1 7 . HE2 H 6.249 13.812 2.507 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE2 . . . . . . . . . rr_6tt6 1
. 2 . 254 . 1 1 7 . HE3 H 7.207 14.855 1.458 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE3 . . . . . . . . . rr_6tt6 1
. 2 . 255 . 1 1 7 . HG2 H 9.171 13.585 1.928 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG2 . . . . . . . . . rr_6tt6 1
. 2 . 256 . 1 1 7 . HG3 H 9.867 13.506 3.547 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG3 . . . . . . . . . rr_6tt6 1
. 2 . 257 . 1 1 7 . HZ1 H 5.864 15.885 3.882 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ1 . . . . . . . . . rr_6tt6 1
. 2 . 258 . 1 1 7 . HZ2 H 5.067 15.804 2.385 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ2 . . . . . . . . . rr_6tt6 1
. 2 . 259 . 1 1 7 . HZ3 H 6.461 16.759 2.558 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ3 . . . . . . . . . rr_6tt6 1
. 2 . 260 . 1 1 7 . N N 8.696 9.713 3.304 . . . 1.0 . . . . . . . . . . . . A . 7 DLY N . . . . . . . . . rr_6tt6 1
. 2 . 261 . 1 1 7 . NZ N 5.994 15.878 2.851 . . . 1.0 . . . . . . . . . . . . A . 7 DLY NZ . . . . . . . . . rr_6tt6 1
. 2 . 262 . 1 1 7 . O O 8.792 11.750 0.587 . . . 1.0 . . . . . . . . . . . . A . 7 DLY O . . . . . . . . . rr_6tt6 1
. 2 . 263 . 1 1 8 ASP C C 9.467 8.885 -1.212 . . . 1.0 . . . . . . . . . . . . A . 8 ASP C . . . . . . . . . rr_6tt6 1
. 2 . 264 . 1 1 8 ASP CA C 10.445 9.882 -0.599 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CA . . . . . . . . . rr_6tt6 1
. 2 . 265 . 1 1 8 ASP CB C 11.879 9.411 -0.847 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CB . . . . . . . . . rr_6tt6 1
. 2 . 266 . 1 1 8 ASP CG C 12.857 10.548 -0.571 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CG . . . . . . . . . rr_6tt6 1
. 2 . 267 . 1 1 8 ASP H H 10.652 9.404 1.456 . . . 1.0 . . . . . . . . . . . . A . 8 ASP H . . . . . . . . . rr_6tt6 1
. 2 . 268 . 1 1 8 ASP HA H 10.308 10.843 -1.070 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HA . . . . . . . . . rr_6tt6 1
. 2 . 269 . 1 1 8 ASP HB2 H 12.102 8.579 -0.193 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB2 . . . . . . . . . rr_6tt6 1
. 2 . 270 . 1 1 8 ASP HB3 H 11.980 9.095 -1.875 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB3 . . . . . . . . . rr_6tt6 1
. 2 . 271 . 1 1 8 ASP N N 10.206 10.016 0.833 . . . 1.0 . . . . . . . . . . . . A . 8 ASP N . . . . . . . . . rr_6tt6 1
. 2 . 272 . 1 1 8 ASP O O 9.068 9.022 -2.368 . . . 1.0 . . . . . . . . . . . . A . 8 ASP O . . . . . . . . . rr_6tt6 1
. 2 . 273 . 1 1 8 ASP OD1 O 14.044 10.278 -0.498 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD1 . . . . . . . . . rr_6tt6 1
. 2 . 274 . 1 1 8 ASP OD2 O 12.403 11.672 -0.436 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD2 . . . . . . . . . rr_6tt6 1
. 3 . 275 . 1 1 1 TRP C C 6.640 7.499 -1.343 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_6tt6 1
. 3 . 276 . 1 1 1 TRP CA C 7.985 6.802 -1.187 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_6tt6 1
. 3 . 277 . 1 1 1 TRP CB C 7.825 5.578 -0.282 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_6tt6 1
. 3 . 278 . 1 1 1 TRP CD1 C 8.630 3.478 -1.434 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_6tt6 1
. 3 . 279 . 1 1 1 TRP CD2 C 10.253 4.491 -0.250 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_6tt6 1
. 3 . 280 . 1 1 1 TRP CE2 C 10.835 3.341 -0.835 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_6tt6 1
. 3 . 281 . 1 1 1 TRP CE3 C 11.067 5.311 0.552 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_6tt6 1
. 3 . 282 . 1 1 1 TRP CG C 8.853 4.554 -0.645 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_6tt6 1
. 3 . 283 . 1 1 1 TRP CH2 C 12.971 3.843 0.168 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_6tt6 1
. 3 . 284 . 1 1 1 TRP CZ2 C 12.177 3.017 -0.631 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_6tt6 1
. 3 . 285 . 1 1 1 TRP CZ3 C 12.418 4.988 0.758 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_6tt6 1
. 3 . 286 . 1 1 1 TRP H1 H 9.507 7.431 0.147 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_6tt6 1
. 3 . 287 . 1 1 1 TRP HA H 8.321 6.474 -2.156 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_6tt6 1
. 3 . 288 . 1 1 1 TRP HB2 H 7.957 5.871 0.747 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_6tt6 1
. 3 . 289 . 1 1 1 TRP HB3 H 6.838 5.159 -0.414 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_6tt6 1
. 3 . 290 . 1 1 1 TRP HD1 H 7.690 3.222 -1.898 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_6tt6 1
. 3 . 291 . 1 1 1 TRP HE1 H 9.915 1.931 -2.063 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_6tt6 1
. 3 . 292 . 1 1 1 TRP HE3 H 10.651 6.195 1.012 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_6tt6 1
. 3 . 293 . 1 1 1 TRP HH2 H 14.011 3.599 0.330 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_6tt6 1
. 3 . 294 . 1 1 1 TRP HZ2 H 12.598 2.133 -1.089 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_6tt6 1
. 3 . 295 . 1 1 1 TRP HZ3 H 13.035 5.624 1.376 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_6tt6 1
. 3 . 296 . 1 1 1 TRP N N 8.973 7.715 -0.623 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_6tt6 1
. 3 . 297 . 1 1 1 TRP NE1 N 9.806 2.757 -1.547 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_6tt6 1
. 3 . 298 . 1 1 1 TRP O O 6.140 7.662 -2.456 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_6tt6 1
. 3 . 299 . 1 1 2 DTR C C 3.857 8.037 0.849 . . . 1.0 . . . . . . . . . . . . A . 2 DTR C . . . . . . . . . rr_6tt6 1
. 3 . 300 . 1 1 2 DTR CA C 4.769 8.581 -0.247 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CA . . . . . . . . . rr_6tt6 1
. 3 . 301 . 1 1 2 DTR CB C 4.967 10.086 -0.052 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CB . . . . . . . . . rr_6tt6 1
. 3 . 302 . 1 1 2 DTR CD1 C 4.656 11.263 -2.265 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD1 . . . . . . . . . rr_6tt6 1
. 3 . 303 . 1 1 2 DTR CD2 C 2.777 11.247 -1.028 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD2 . . . . . . . . . rr_6tt6 1
. 3 . 304 . 1 1 2 DTR CE2 C 2.468 11.927 -2.229 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE2 . . . . . . . . . rr_6tt6 1
. 3 . 305 . 1 1 2 DTR CE3 C 1.760 11.099 -0.067 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE3 . . . . . . . . . rr_6tt6 1
. 3 . 306 . 1 1 2 DTR CG C 4.174 10.831 -1.077 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CG . . . . . . . . . rr_6tt6 1
. 3 . 307 . 1 1 2 DTR CH2 C 0.194 12.287 -1.505 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CH2 . . . . . . . . . rr_6tt6 1
. 3 . 308 . 1 1 2 DTR CZ2 C 1.194 12.443 -2.469 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ2 . . . . . . . . . rr_6tt6 1
. 3 . 309 . 1 1 2 DTR CZ3 C 0.476 11.617 -0.307 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ3 . . . . . . . . . rr_6tt6 1
. 3 . 310 . 1 1 2 DTR H H 6.503 7.747 0.637 . . . 1.0 . . . . . . . . . . . . A . 2 DTR H . . . . . . . . . rr_6tt6 1
. 3 . 311 . 1 1 2 DTR HA H 4.305 8.412 -1.206 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HA . . . . . . . . . rr_6tt6 1
. 3 . 312 . 1 1 2 DTR HB2 H 6.014 10.328 -0.161 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB2 . . . . . . . . . rr_6tt6 1
. 3 . 313 . 1 1 2 DTR HB3 H 4.633 10.367 0.935 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB3 . . . . . . . . . rr_6tt6 1
. 3 . 314 . 1 1 2 DTR HD1 H 5.665 11.121 -2.623 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HD1 . . . . . . . . . rr_6tt6 1
. 3 . 315 . 1 1 2 DTR HE1 H 3.731 12.314 -3.839 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE1 . . . . . . . . . rr_6tt6 1
. 3 . 316 . 1 1 2 DTR HE3 H 1.966 10.586 0.859 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE3 . . . . . . . . . rr_6tt6 1
. 3 . 317 . 1 1 2 DTR HH2 H -0.795 12.683 -1.683 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HH2 . . . . . . . . . rr_6tt6 1
. 3 . 318 . 1 1 2 DTR HZ2 H 0.981 12.958 -3.394 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ2 . . . . . . . . . rr_6tt6 1
. 3 . 319 . 1 1 2 DTR HZ3 H -0.297 11.498 0.437 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ3 . . . . . . . . . rr_6tt6 1
. 3 . 320 . 1 1 2 DTR N N 6.059 7.905 -0.222 . . . 1.0 . . . . . . . . . . . . A . 2 DTR N . . . . . . . . . rr_6tt6 1
. 3 . 321 . 1 1 2 DTR NE1 N 3.644 11.910 -2.951 . . . 1.0 . . . . . . . . . . . . A . 2 DTR NE1 . . . . . . . . . rr_6tt6 1
. 3 . 322 . 1 1 2 DTR O O 2.872 8.675 1.221 . . . 1.0 . . . . . . . . . . . . A . 2 DTR O . . . . . . . . . rr_6tt6 1
. 3 . 323 . 1 1 3 VAL C C 4.258 5.835 3.596 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_6tt6 1
. 3 . 324 . 1 1 3 VAL CA C 3.378 6.239 2.412 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_6tt6 1
. 3 . 325 . 1 1 3 VAL CB C 2.659 5.006 1.864 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_6tt6 1
. 3 . 326 . 1 1 3 VAL CG1 C 1.712 5.424 0.737 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_6tt6 1
. 3 . 327 . 1 1 3 VAL CG2 C 3.691 4.015 1.319 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_6tt6 1
. 3 . 328 . 1 1 3 VAL H H 4.979 6.382 1.027 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_6tt6 1
. 3 . 329 . 1 1 3 VAL HA H 2.642 6.955 2.740 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_6tt6 1
. 3 . 330 . 1 1 3 VAL HB H 2.091 4.538 2.655 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_6tt6 1
. 3 . 331 . 1 1 3 VAL HG11 H 1.118 6.267 1.061 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_6tt6 1
. 3 . 332 . 1 1 3 VAL HG12 H 1.061 4.600 0.488 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_6tt6 1
. 3 . 333 . 1 1 3 VAL HG13 H 2.288 5.703 -0.132 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_6tt6 1
. 3 . 334 . 1 1 3 VAL HG21 H 4.385 3.751 2.102 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_6tt6 1
. 3 . 335 . 1 1 3 VAL HG22 H 4.228 4.470 0.499 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_6tt6 1
. 3 . 336 . 1 1 3 VAL HG23 H 3.186 3.126 0.969 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_6tt6 1
. 3 . 337 . 1 1 3 VAL N N 4.185 6.852 1.362 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_6tt6 1
. 3 . 338 . 1 1 3 VAL O O 5.464 5.641 3.439 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_6tt6 1
. 3 . 339 . 1 1 4 DPR C C 5.411 6.434 6.433 . . . 1.0 . . . . . . . . . . . . A . 4 DPR C . . . . . . . . . rr_6tt6 1
. 3 . 340 . 1 1 4 DPR CA C 4.454 5.330 5.994 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CA . . . . . . . . . rr_6tt6 1
. 3 . 341 . 1 1 4 DPR CB C 3.373 5.090 7.051 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CB . . . . . . . . . rr_6tt6 1
. 3 . 342 . 1 1 4 DPR CD C 2.260 5.918 5.065 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CD . . . . . . . . . rr_6tt6 1
. 3 . 343 . 1 1 4 DPR CG C 2.181 5.857 6.589 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CG . . . . . . . . . rr_6tt6 1
. 3 . 344 . 1 1 4 DPR HA H 4.996 4.414 5.821 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HA . . . . . . . . . rr_6tt6 1
. 3 . 345 . 1 1 4 DPR HB2 H 3.701 5.459 8.011 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB2 . . . . . . . . . rr_6tt6 1
. 3 . 346 . 1 1 4 DPR HB3 H 3.142 4.035 7.113 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB3 . . . . . . . . . rr_6tt6 1
. 3 . 347 . 1 1 4 DPR HD2 H 1.942 6.886 4.708 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD2 . . . . . . . . . rr_6tt6 1
. 3 . 348 . 1 1 4 DPR HD3 H 1.661 5.133 4.624 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD3 . . . . . . . . . rr_6tt6 1
. 3 . 349 . 1 1 4 DPR HG2 H 2.204 6.857 6.994 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG2 . . . . . . . . . rr_6tt6 1
. 3 . 350 . 1 1 4 DPR HG3 H 1.275 5.352 6.897 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG3 . . . . . . . . . rr_6tt6 1
. 3 . 351 . 1 1 4 DPR N N 3.688 5.712 4.772 . . . 1.0 . . . . . . . . . . . . A . 4 DPR N . . . . . . . . . rr_6tt6 1
. 3 . 352 . 1 1 4 DPR O O 6.423 6.169 7.084 . . . 1.0 . . . . . . . . . . . . A . 4 DPR O . . . . . . . . . rr_6tt6 1
. 3 . 353 . 1 1 5 GLU C C 7.367 8.557 5.996 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_6tt6 1
. 3 . 354 . 1 1 5 GLU CA C 5.926 8.807 6.425 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_6tt6 1
. 3 . 355 . 1 1 5 GLU CB C 5.874 9.044 7.935 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_6tt6 1
. 3 . 356 . 1 1 5 GLU CD C 4.384 9.662 9.848 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_6tt6 1
. 3 . 357 . 1 1 5 GLU CG C 4.457 9.456 8.339 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_6tt6 1
. 3 . 358 . 1 1 5 GLU H H 4.270 7.818 5.547 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_6tt6 1
. 3 . 359 . 1 1 5 GLU HA H 5.558 9.688 5.920 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_6tt6 1
. 3 . 360 . 1 1 5 GLU HB2 H 6.147 8.135 8.451 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_6tt6 1
. 3 . 361 . 1 1 5 GLU HB3 H 6.565 9.831 8.200 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_6tt6 1
. 3 . 362 . 1 1 5 GLU HG2 H 4.195 10.376 7.837 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_6tt6 1
. 3 . 363 . 1 1 5 GLU HG3 H 3.763 8.681 8.050 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_6tt6 1
. 3 . 364 . 1 1 5 GLU N N 5.088 7.669 6.068 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_6tt6 1
. 3 . 365 . 1 1 5 GLU O O 8.309 8.992 6.658 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_6tt6 1
. 3 . 366 . 1 1 5 GLU OE1 O 3.349 10.105 10.316 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_6tt6 1
. 3 . 367 . 1 1 5 GLU OE2 O 5.365 9.373 10.513 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . rr_6tt6 1
. 3 . 368 . 1 1 6 ALA C C 9.608 8.828 4.020 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6tt6 1
. 3 . 369 . 1 1 6 ALA CA C 8.859 7.546 4.366 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6tt6 1
. 3 . 370 . 1 1 6 ALA CB C 8.742 6.670 3.118 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6tt6 1
. 3 . 371 . 1 1 6 ALA H H 6.741 7.533 4.395 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6tt6 1
. 3 . 372 . 1 1 6 ALA HA H 9.412 7.007 5.120 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6tt6 1
. 3 . 373 . 1 1 6 ALA HB1 H 8.299 5.722 3.384 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6tt6 1
. 3 . 374 . 1 1 6 ALA HB2 H 9.724 6.506 2.701 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6tt6 1
. 3 . 375 . 1 1 6 ALA HB3 H 8.120 7.167 2.388 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6tt6 1
. 3 . 376 . 1 1 6 ALA N N 7.530 7.853 4.881 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6tt6 1
. 3 . 377 . 1 1 6 ALA O O 10.807 8.945 4.271 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6tt6 1
. 3 . 378 . 1 1 7 . C C 9.776 11.078 1.554 . . . 1.0 . . . . . . . . . . . . A . 7 DLY C . . . . . . . . . rr_6tt6 1
. 3 . 379 . 1 1 7 . CA C 9.499 11.052 3.055 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CA . . . . . . . . . rr_6tt6 1
. 3 . 380 . 1 1 7 . CB C 8.569 12.208 3.424 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CB . . . . . . . . . rr_6tt6 1
. 3 . 381 . 1 1 7 . CD C 9.223 12.833 5.757 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CD . . . . . . . . . rr_6tt6 1
. 3 . 382 . 1 1 7 . CE C 7.851 13.240 6.298 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CE . . . . . . . . . rr_6tt6 1
. 3 . 383 . 1 1 7 . CG C 9.330 13.224 4.280 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CG . . . . . . . . . rr_6tt6 1
. 3 . 384 . 1 1 7 . H H 7.941 9.632 3.260 . . . 1.0 . . . . . . . . . . . . A . 7 DLY H . . . . . . . . . rr_6tt6 1
. 3 . 385 . 1 1 7 . HA H 10.432 11.170 3.586 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HA . . . . . . . . . rr_6tt6 1
. 3 . 386 . 1 1 7 . HB2 H 7.727 11.828 3.983 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB2 . . . . . . . . . rr_6tt6 1
. 3 . 387 . 1 1 7 . HB3 H 8.216 12.689 2.524 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB3 . . . . . . . . . rr_6tt6 1
. 3 . 388 . 1 1 7 . HD2 H 9.994 13.337 6.319 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD2 . . . . . . . . . rr_6tt6 1
. 3 . 389 . 1 1 7 . HD3 H 9.348 11.764 5.855 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD3 . . . . . . . . . rr_6tt6 1
. 3 . 390 . 1 1 7 . HE2 H 7.081 12.691 5.778 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE2 . . . . . . . . . rr_6tt6 1
. 3 . 391 . 1 1 7 . HE3 H 7.704 14.299 6.145 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE3 . . . . . . . . . rr_6tt6 1
. 3 . 392 . 1 1 7 . HG2 H 8.904 14.205 4.139 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG2 . . . . . . . . . rr_6tt6 1
. 3 . 393 . 1 1 7 . HG3 H 10.369 13.236 3.985 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG3 . . . . . . . . . rr_6tt6 1
. 3 . 394 . 1 1 7 . HZ1 H 8.646 13.275 8.222 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ1 . . . . . . . . . rr_6tt6 1
. 3 . 395 . 1 1 7 . HZ2 H 7.696 11.906 7.889 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ2 . . . . . . . . . rr_6tt6 1
. 3 . 396 . 1 1 7 . HZ3 H 6.956 13.410 8.169 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ3 . . . . . . . . . rr_6tt6 1
. 3 . 397 . 1 1 7 . N N 8.892 9.784 3.437 . . . 1.0 . . . . . . . . . . . . A . 7 DLY N . . . . . . . . . rr_6tt6 1
. 3 . 398 . 1 1 7 . NZ N 7.781 12.935 7.754 . . . 1.0 . . . . . . . . . . . . A . 7 DLY NZ . . . . . . . . . rr_6tt6 1
. 3 . 399 . 1 1 7 . O O 9.830 12.143 0.941 . . . 1.0 . . . . . . . . . . . . A . 7 DLY O . . . . . . . . . rr_6tt6 1
. 3 . 400 . 1 1 8 ASP C C 9.158 8.928 -1.137 . . . 1.0 . . . . . . . . . . . . A . 8 ASP C . . . . . . . . . rr_6tt6 1
. 3 . 401 . 1 1 8 ASP CA C 10.218 9.792 -0.460 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CA . . . . . . . . . rr_6tt6 1
. 3 . 402 . 1 1 8 ASP CB C 11.604 9.180 -0.686 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CB . . . . . . . . . rr_6tt6 1
. 3 . 403 . 1 1 8 ASP CG C 11.945 9.174 -2.173 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CG . . . . . . . . . rr_6tt6 1
. 3 . 404 . 1 1 8 ASP H H 9.895 9.079 1.509 . . . 1.0 . . . . . . . . . . . . A . 8 ASP H . . . . . . . . . rr_6tt6 1
. 3 . 405 . 1 1 8 ASP HA H 10.198 10.779 -0.895 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HA . . . . . . . . . rr_6tt6 1
. 3 . 406 . 1 1 8 ASP HB2 H 12.342 9.760 -0.152 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB2 . . . . . . . . . rr_6tt6 1
. 3 . 407 . 1 1 8 ASP HB3 H 11.611 8.165 -0.315 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB3 . . . . . . . . . rr_6tt6 1
. 3 . 408 . 1 1 8 ASP N N 9.950 9.895 0.969 . . . 1.0 . . . . . . . . . . . . A . 8 ASP N . . . . . . . . . rr_6tt6 1
. 3 . 409 . 1 1 8 ASP O O 8.523 9.351 -2.102 . . . 1.0 . . . . . . . . . . . . A . 8 ASP O . . . . . . . . . rr_6tt6 1
. 3 . 410 . 1 1 8 ASP OD1 O 11.090 9.541 -2.963 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD1 . . . . . . . . . rr_6tt6 1
. 3 . 411 . 1 1 8 ASP OD2 O 13.059 8.802 -2.503 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD2 . . . . . . . . . rr_6tt6 1
. 4 . 412 . 1 1 1 TRP C C 6.696 7.461 -1.239 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_6tt6 1
. 4 . 413 . 1 1 1 TRP CA C 8.074 6.872 -0.957 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_6tt6 1
. 4 . 414 . 1 1 1 TRP CB C 7.953 5.703 0.027 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_6tt6 1
. 4 . 415 . 1 1 1 TRP CD1 C 7.082 4.304 -1.895 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_6tt6 1
. 4 . 416 . 1 1 1 TRP CD2 C 8.237 3.090 -0.393 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_6tt6 1
. 4 . 417 . 1 1 1 TRP CE2 C 7.814 2.193 -1.402 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_6tt6 1
. 4 . 418 . 1 1 1 TRP CE3 C 8.989 2.576 0.679 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_6tt6 1
. 4 . 419 . 1 1 1 TRP CG C 7.760 4.426 -0.729 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_6tt6 1
. 4 . 420 . 1 1 1 TRP CH2 C 8.873 0.340 -0.278 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_6tt6 1
. 4 . 421 . 1 1 1 TRP CZ2 C 8.125 0.835 -1.350 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_6tt6 1
. 4 . 422 . 1 1 1 TRP CZ3 C 9.305 1.209 0.735 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_6tt6 1
. 4 . 423 . 1 1 1 TRP H1 H 9.265 7.818 0.518 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_6tt6 1
. 4 . 424 . 1 1 1 TRP HA H 8.488 6.505 -1.881 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_6tt6 1
. 4 . 425 . 1 1 1 TRP HB2 H 8.854 5.637 0.617 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_6tt6 1
. 4 . 426 . 1 1 1 TRP HB3 H 7.109 5.865 0.680 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_6tt6 1
. 4 . 427 . 1 1 1 TRP HD1 H 6.596 5.109 -2.426 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_6tt6 1
. 4 . 428 . 1 1 1 TRP HE1 H 6.697 2.625 -3.107 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_6tt6 1
. 4 . 429 . 1 1 1 TRP HE3 H 9.326 3.237 1.464 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_6tt6 1
. 4 . 430 . 1 1 1 TRP HH2 H 9.119 -0.711 -0.229 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_6tt6 1
. 4 . 431 . 1 1 1 TRP HZ2 H 7.790 0.169 -2.132 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_6tt6 1
. 4 . 432 . 1 1 1 TRP HZ3 H 9.882 0.825 1.562 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_6tt6 1
. 4 . 433 . 1 1 1 TRP N N 8.968 7.887 -0.413 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_6tt6 1
. 4 . 434 . 1 1 1 TRP NE1 N 7.114 2.981 -2.294 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_6tt6 1
. 4 . 435 . 1 1 1 TRP O O 6.283 7.572 -2.394 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_6tt6 1
. 4 . 436 . 1 1 2 DTR C C 3.746 7.897 0.791 . . . 1.0 . . . . . . . . . . . . A . 2 DTR C . . . . . . . . . rr_6tt6 1
. 4 . 437 . 1 1 2 DTR CA C 4.655 8.401 -0.324 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CA . . . . . . . . . rr_6tt6 1
. 4 . 438 . 1 1 2 DTR CB C 4.730 9.928 -0.277 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CB . . . . . . . . . rr_6tt6 1
. 4 . 439 . 1 1 2 DTR CD1 C 6.870 10.621 -1.429 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD1 . . . . . . . . . rr_6tt6 1
. 4 . 440 . 1 1 2 DTR CD2 C 5.072 10.789 -2.771 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD2 . . . . . . . . . rr_6tt6 1
. 4 . 441 . 1 1 2 DTR CE2 C 6.189 11.204 -3.534 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE2 . . . . . . . . . rr_6tt6 1
. 4 . 442 . 1 1 2 DTR CE3 C 3.808 10.801 -3.386 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE3 . . . . . . . . . rr_6tt6 1
. 4 . 443 . 1 1 2 DTR CG C 5.531 10.425 -1.436 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CG . . . . . . . . . rr_6tt6 1
. 4 . 444 . 1 1 2 DTR CH2 C 4.793 11.621 -5.456 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CH2 . . . . . . . . . rr_6tt6 1
. 4 . 445 . 1 1 2 DTR CZ2 C 6.057 11.615 -4.860 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ2 . . . . . . . . . rr_6tt6 1
. 4 . 446 . 1 1 2 DTR CZ3 C 3.670 11.215 -4.721 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ3 . . . . . . . . . rr_6tt6 1
. 4 . 447 . 1 1 2 DTR H H 6.368 7.715 0.716 . . . 1.0 . . . . . . . . . . . . A . 2 DTR H . . . . . . . . . rr_6tt6 1
. 4 . 448 . 1 1 2 DTR HA H 4.246 8.100 -1.276 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HA . . . . . . . . . rr_6tt6 1
. 4 . 449 . 1 1 2 DTR HB2 H 5.201 10.237 0.644 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB2 . . . . . . . . . rr_6tt6 1
. 4 . 450 . 1 1 2 DTR HB3 H 3.733 10.338 -0.327 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB3 . . . . . . . . . rr_6tt6 1
. 4 . 451 . 1 1 2 DTR HD1 H 7.526 10.446 -0.588 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HD1 . . . . . . . . . rr_6tt6 1
. 4 . 452 . 1 1 2 DTR HE1 H 8.182 11.304 -2.929 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE1 . . . . . . . . . rr_6tt6 1
. 4 . 453 . 1 1 2 DTR HE3 H 2.937 10.490 -2.828 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE3 . . . . . . . . . rr_6tt6 1
. 4 . 454 . 1 1 2 DTR HH2 H 4.681 11.938 -6.483 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HH2 . . . . . . . . . rr_6tt6 1
. 4 . 455 . 1 1 2 DTR HZ2 H 6.925 11.927 -5.423 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ2 . . . . . . . . . rr_6tt6 1
. 4 . 456 . 1 1 2 DTR HZ3 H 2.695 11.220 -5.184 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ3 . . . . . . . . . rr_6tt6 1
. 4 . 457 . 1 1 2 DTR N N 5.988 7.831 -0.181 . . . 1.0 . . . . . . . . . . . . A . 2 DTR N . . . . . . . . . rr_6tt6 1
. 4 . 458 . 1 1 2 DTR NE1 N 7.261 11.084 -2.672 . . . 1.0 . . . . . . . . . . . . A . 2 DTR NE1 . . . . . . . . . rr_6tt6 1
. 4 . 459 . 1 1 2 DTR O O 2.750 8.536 1.130 . . . 1.0 . . . . . . . . . . . . A . 2 DTR O . . . . . . . . . rr_6tt6 1
. 4 . 460 . 1 1 3 VAL C C 4.193 5.794 3.617 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_6tt6 1
. 4 . 461 . 1 1 3 VAL CA C 3.300 6.160 2.430 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_6tt6 1
. 4 . 462 . 1 1 3 VAL CB C 2.578 4.910 1.925 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_6tt6 1
. 4 . 463 . 1 1 3 VAL CG1 C 1.621 5.293 0.796 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_6tt6 1
. 4 . 464 . 1 1 3 VAL CG2 C 3.608 3.906 1.401 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_6tt6 1
. 4 . 465 . 1 1 3 VAL H H 4.899 6.275 1.041 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_6tt6 1
. 4 . 466 . 1 1 3 VAL HA H 2.566 6.884 2.745 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_6tt6 1
. 4 . 467 . 1 1 3 VAL HB H 2.019 4.465 2.735 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_6tt6 1
. 4 . 468 . 1 1 3 VAL HG11 H 2.145 5.895 0.068 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_6tt6 1
. 4 . 469 . 1 1 3 VAL HG12 H 0.794 5.857 1.201 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_6tt6 1
. 4 . 470 . 1 1 3 VAL HG13 H 1.248 4.397 0.320 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_6tt6 1
. 4 . 471 . 1 1 3 VAL HG21 H 4.179 4.359 0.604 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_6tt6 1
. 4 . 472 . 1 1 3 VAL HG22 H 3.099 3.031 1.026 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_6tt6 1
. 4 . 473 . 1 1 3 VAL HG23 H 4.273 3.620 2.202 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_6tt6 1
. 4 . 474 . 1 1 3 VAL N N 4.095 6.743 1.355 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_6tt6 1
. 4 . 475 . 1 1 3 VAL O O 5.399 5.605 3.455 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_6tt6 1
. 4 . 476 . 1 1 4 DPR C C 5.378 6.462 6.424 . . . 1.0 . . . . . . . . . . . . A . 4 DPR C . . . . . . . . . rr_6tt6 1
. 4 . 477 . 1 1 4 DPR CA C 4.415 5.348 6.024 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CA . . . . . . . . . rr_6tt6 1
. 4 . 478 . 1 1 4 DPR CB C 3.346 5.136 7.100 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CB . . . . . . . . . rr_6tt6 1
. 4 . 479 . 1 1 4 DPR CD C 2.208 5.901 5.101 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CD . . . . . . . . . rr_6tt6 1
. 4 . 480 . 1 1 4 DPR CG C 2.146 5.887 6.628 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CG . . . . . . . . . rr_6tt6 1
. 4 . 481 . 1 1 4 DPR HA H 4.956 4.428 5.871 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HA . . . . . . . . . rr_6tt6 1
. 4 . 482 . 1 1 4 DPR HB2 H 3.682 5.535 8.045 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB2 . . . . . . . . . rr_6tt6 1
. 4 . 483 . 1 1 4 DPR HB3 H 3.118 4.083 7.196 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB3 . . . . . . . . . rr_6tt6 1
. 4 . 484 . 1 1 4 DPR HD2 H 1.880 6.854 4.718 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD2 . . . . . . . . . rr_6tt6 1
. 4 . 485 . 1 1 4 DPR HD3 H 1.611 5.097 4.693 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD3 . . . . . . . . . rr_6tt6 1
. 4 . 486 . 1 1 4 DPR HG2 H 2.172 6.898 7.001 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG2 . . . . . . . . . rr_6tt6 1
. 4 . 487 . 1 1 4 DPR HG3 H 1.245 5.389 6.962 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG3 . . . . . . . . . rr_6tt6 1
. 4 . 488 . 1 1 4 DPR N N 3.635 5.695 4.800 . . . 1.0 . . . . . . . . . . . . A . 4 DPR N . . . . . . . . . rr_6tt6 1
. 4 . 489 . 1 1 4 DPR O O 6.381 6.219 7.096 . . . 1.0 . . . . . . . . . . . . A . 4 DPR O . . . . . . . . . rr_6tt6 1
. 4 . 490 . 1 1 5 GLU C C 7.352 8.561 5.905 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_6tt6 1
. 4 . 491 . 1 1 5 GLU CA C 5.910 8.829 6.322 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_6tt6 1
. 4 . 492 . 1 1 5 GLU CB C 5.856 9.118 7.824 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_6tt6 1
. 4 . 493 . 1 1 5 GLU CD C 3.913 10.676 7.585 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_6tt6 1
. 4 . 494 . 1 1 5 GLU CG C 4.409 9.392 8.239 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_6tt6 1
. 4 . 495 . 1 1 5 GLU H H 4.255 7.817 5.472 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_6tt6 1
. 4 . 496 . 1 1 5 GLU HA H 5.545 9.693 5.788 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_6tt6 1
. 4 . 497 . 1 1 5 GLU HB2 H 6.234 8.264 8.368 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_6tt6 1
. 4 . 498 . 1 1 5 GLU HB3 H 6.462 9.983 8.045 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_6tt6 1
. 4 . 499 . 1 1 5 GLU HG2 H 3.785 8.565 7.929 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_6tt6 1
. 4 . 500 . 1 1 5 GLU HG3 H 4.359 9.496 9.313 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_6tt6 1
. 4 . 501 . 1 1 5 GLU N N 5.066 7.684 6.004 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_6tt6 1
. 4 . 502 . 1 1 5 GLU O O 8.293 8.972 6.585 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_6tt6 1
. 4 . 503 . 1 1 5 GLU OE1 O 4.745 11.471 7.181 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_6tt6 1
. 4 . 504 . 1 1 5 GLU OE2 O 2.708 10.844 7.495 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . rr_6tt6 1
. 4 . 505 . 1 1 6 ALA C C 9.624 8.832 3.972 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6tt6 1
. 4 . 506 . 1 1 6 ALA CA C 8.851 7.554 4.282 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6tt6 1
. 4 . 507 . 1 1 6 ALA CB C 8.745 6.701 3.016 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6tt6 1
. 4 . 508 . 1 1 6 ALA H H 6.732 7.570 4.280 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6tt6 1
. 4 . 509 . 1 1 6 ALA HA H 9.385 6.995 5.035 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6tt6 1
. 4 . 510 . 1 1 6 ALA HB1 H 9.713 6.641 2.541 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6tt6 1
. 4 . 511 . 1 1 6 ALA HB2 H 8.038 7.151 2.337 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6tt6 1
. 4 . 512 . 1 1 6 ALA HB3 H 8.411 5.709 3.279 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6tt6 1
. 4 . 513 . 1 1 6 ALA N N 7.519 7.871 4.781 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6tt6 1
. 4 . 514 . 1 1 6 ALA O O 10.822 8.926 4.243 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6tt6 1
. 4 . 515 . 1 1 7 . C C 9.851 11.141 1.561 . . . 1.0 . . . . . . . . . . . . A . 7 DLY C . . . . . . . . . rr_6tt6 1
. 4 . 516 . 1 1 7 . CA C 9.562 11.081 3.057 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CA . . . . . . . . . rr_6tt6 1
. 4 . 517 . 1 1 7 . CB C 8.646 12.243 3.450 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CB . . . . . . . . . rr_6tt6 1
. 4 . 518 . 1 1 7 . CD C 8.559 14.705 3.889 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CD . . . . . . . . . rr_6tt6 1
. 4 . 519 . 1 1 7 . CE C 7.896 14.561 5.261 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CE . . . . . . . . . rr_6tt6 1
. 4 . 520 . 1 1 7 . CG C 9.483 13.511 3.636 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CG . . . . . . . . . rr_6tt6 1
. 4 . 521 . 1 1 7 . H H 7.979 9.679 3.209 . . . 1.0 . . . . . . . . . . . . A . 7 DLY H . . . . . . . . . rr_6tt6 1
. 4 . 522 . 1 1 7 . HA H 10.491 11.170 3.598 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HA . . . . . . . . . rr_6tt6 1
. 4 . 523 . 1 1 7 . HB2 H 8.143 12.006 4.374 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB2 . . . . . . . . . rr_6tt6 1
. 4 . 524 . 1 1 7 . HB3 H 7.914 12.404 2.671 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB3 . . . . . . . . . rr_6tt6 1
. 4 . 525 . 1 1 7 . HD2 H 7.796 14.738 3.126 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD2 . . . . . . . . . rr_6tt6 1
. 4 . 526 . 1 1 7 . HD3 H 9.136 15.618 3.863 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD3 . . . . . . . . . rr_6tt6 1
. 4 . 527 . 1 1 7 . HE2 H 8.656 14.466 6.022 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE2 . . . . . . . . . rr_6tt6 1
. 4 . 528 . 1 1 7 . HE3 H 7.267 13.683 5.268 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE3 . . . . . . . . . rr_6tt6 1
. 4 . 529 . 1 1 7 . HG2 H 10.064 13.693 2.745 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG2 . . . . . . . . . rr_6tt6 1
. 4 . 530 . 1 1 7 . HG3 H 10.146 13.383 4.479 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG3 . . . . . . . . . rr_6tt6 1
. 4 . 531 . 1 1 7 . HZ1 H 6.938 15.872 6.565 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ1 . . . . . . . . . rr_6tt6 1
. 4 . 532 . 1 1 7 . HZ2 H 6.133 15.656 5.083 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ2 . . . . . . . . . rr_6tt6 1
. 4 . 533 . 1 1 7 . HZ3 H 7.537 16.609 5.161 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ3 . . . . . . . . . rr_6tt6 1
. 4 . 534 . 1 1 7 . N N 8.931 9.813 3.402 . . . 1.0 . . . . . . . . . . . . A . 7 DLY N . . . . . . . . . rr_6tt6 1
. 4 . 535 . 1 1 7 . NZ N 7.063 15.766 5.538 . . . 1.0 . . . . . . . . . . . . A . 7 DLY NZ . . . . . . . . . rr_6tt6 1
. 4 . 536 . 1 1 7 . O O 9.905 12.220 0.971 . . . 1.0 . . . . . . . . . . . . A . 7 DLY O . . . . . . . . . rr_6tt6 1
. 4 . 537 . 1 1 8 ASP C C 9.389 8.906 -1.158 . . . 1.0 . . . . . . . . . . . . A . 8 ASP C . . . . . . . . . rr_6tt6 1
. 4 . 538 . 1 1 8 ASP CA C 10.321 9.902 -0.475 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CA . . . . . . . . . rr_6tt6 1
. 4 . 539 . 1 1 8 ASP CB C 11.774 9.479 -0.698 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CB . . . . . . . . . rr_6tt6 1
. 4 . 540 . 1 1 8 ASP CG C 12.714 10.454 0.002 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CG . . . . . . . . . rr_6tt6 1
. 4 . 541 . 1 1 8 ASP H H 9.983 9.147 1.476 . . . 1.0 . . . . . . . . . . . . A . 8 ASP H . . . . . . . . . rr_6tt6 1
. 4 . 542 . 1 1 8 ASP HA H 10.172 10.878 -0.911 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HA . . . . . . . . . rr_6tt6 1
. 4 . 543 . 1 1 8 ASP HB2 H 11.923 8.486 -0.298 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB2 . . . . . . . . . rr_6tt6 1
. 4 . 544 . 1 1 8 ASP HB3 H 11.988 9.475 -1.756 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB3 . . . . . . . . . rr_6tt6 1
. 4 . 545 . 1 1 8 ASP N N 10.038 9.974 0.954 . . . 1.0 . . . . . . . . . . . . A . 8 ASP N . . . . . . . . . rr_6tt6 1
. 4 . 546 . 1 1 8 ASP O O 9.058 9.057 -2.334 . . . 1.0 . . . . . . . . . . . . A . 8 ASP O . . . . . . . . . rr_6tt6 1
. 4 . 547 . 1 1 8 ASP OD1 O 12.526 11.648 -0.161 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD1 . . . . . . . . . rr_6tt6 1
. 4 . 548 . 1 1 8 ASP OD2 O 13.609 9.991 0.691 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD2 . . . . . . . . . rr_6tt6 1
. 5 . 549 . 1 1 1 TRP C C 6.706 7.467 -1.225 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_6tt6 1
. 5 . 550 . 1 1 1 TRP CA C 8.089 6.892 -0.935 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_6tt6 1
. 5 . 551 . 1 1 1 TRP CB C 7.978 5.735 0.065 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_6tt6 1
. 5 . 552 . 1 1 1 TRP CD1 C 7.071 4.333 -1.838 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_6tt6 1
. 5 . 553 . 1 1 1 TRP CD2 C 8.179 3.108 -0.310 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_6tt6 1
. 5 . 554 . 1 1 1 TRP CE2 C 7.731 2.207 -1.306 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_6tt6 1
. 5 . 555 . 1 1 1 TRP CE3 C 8.908 2.588 0.775 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_6tt6 1
. 5 . 556 . 1 1 1 TRP CG C 7.747 4.452 -0.670 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_6tt6 1
. 5 . 557 . 1 1 1 TRP CH2 C 8.724 0.340 -0.144 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_6tt6 1
. 5 . 558 . 1 1 1 TRP CZ2 C 7.997 0.840 -1.229 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_6tt6 1
. 5 . 559 . 1 1 1 TRP CZ3 C 9.178 1.211 0.856 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_6tt6 1
. 5 . 560 . 1 1 1 TRP H1 H 9.273 7.870 0.525 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_6tt6 1
. 5 . 561 . 1 1 1 TRP HA H 8.504 6.516 -1.854 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_6tt6 1
. 5 . 562 . 1 1 1 TRP HB2 H 8.895 5.662 0.630 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_6tt6 1
. 5 . 563 . 1 1 1 TRP HB3 H 7.155 5.914 0.739 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_6tt6 1
. 5 . 564 . 1 1 1 TRP HD1 H 6.616 5.145 -2.386 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_6tt6 1
. 5 . 565 . 1 1 1 TRP HE1 H 6.638 2.647 -3.024 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_6tt6 1
. 5 . 566 . 1 1 1 TRP HE3 H 9.262 3.250 1.551 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_6tt6 1
. 5 . 567 . 1 1 1 TRP HH2 H 8.934 -0.717 -0.077 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_6tt6 1
. 5 . 568 . 1 1 1 TRP HZ2 H 7.646 0.173 -2.001 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_6tt6 1
. 5 . 569 . 1 1 1 TRP HZ3 H 9.738 0.822 1.693 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_6tt6 1
. 5 . 570 . 1 1 1 TRP N N 8.976 7.922 -0.406 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_6tt6 1
. 5 . 571 . 1 1 1 TRP NE1 N 7.063 3.002 -2.215 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_6tt6 1
. 5 . 572 . 1 1 1 TRP O O 6.299 7.575 -2.381 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_6tt6 1
. 5 . 573 . 1 1 2 DTR C C 3.739 7.876 0.789 . . . 1.0 . . . . . . . . . . . . A . 2 DTR C . . . . . . . . . rr_6tt6 1
. 5 . 574 . 1 1 2 DTR CA C 4.651 8.385 -0.321 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CA . . . . . . . . . rr_6tt6 1
. 5 . 575 . 1 1 2 DTR CB C 4.710 9.912 -0.277 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CB . . . . . . . . . rr_6tt6 1
. 5 . 576 . 1 1 2 DTR CD1 C 6.853 10.623 -1.412 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD1 . . . . . . . . . rr_6tt6 1
. 5 . 577 . 1 1 2 DTR CD2 C 5.065 10.772 -2.769 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD2 . . . . . . . . . rr_6tt6 1
. 5 . 578 . 1 1 2 DTR CE2 C 6.184 11.196 -3.525 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE2 . . . . . . . . . rr_6tt6 1
. 5 . 579 . 1 1 2 DTR CE3 C 3.805 10.771 -3.395 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE3 . . . . . . . . . rr_6tt6 1
. 5 . 580 . 1 1 2 DTR CG C 5.516 10.414 -1.431 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CG . . . . . . . . . rr_6tt6 1
. 5 . 581 . 1 1 2 DTR CH2 C 4.800 11.595 -5.460 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CH2 . . . . . . . . . rr_6tt6 1
. 5 . 582 . 1 1 2 DTR CZ2 C 6.058 11.603 -4.853 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ2 . . . . . . . . . rr_6tt6 1
. 5 . 583 . 1 1 2 DTR CZ3 C 3.675 11.181 -4.733 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ3 . . . . . . . . . rr_6tt6 1
. 5 . 584 . 1 1 2 DTR H H 6.363 7.716 0.729 . . . 1.0 . . . . . . . . . . . . A . 2 DTR H . . . . . . . . . rr_6tt6 1
. 5 . 585 . 1 1 2 DTR HA H 4.249 8.078 -1.275 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HA . . . . . . . . . rr_6tt6 1
. 5 . 586 . 1 1 2 DTR HB2 H 5.170 10.228 0.648 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB2 . . . . . . . . . rr_6tt6 1
. 5 . 587 . 1 1 2 DTR HB3 H 3.709 10.313 -0.336 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB3 . . . . . . . . . rr_6tt6 1
. 5 . 588 . 1 1 2 DTR HD1 H 7.503 10.456 -0.567 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HD1 . . . . . . . . . rr_6tt6 1
. 5 . 589 . 1 1 2 DTR HE1 H 8.170 11.316 -2.904 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE1 . . . . . . . . . rr_6tt6 1
. 5 . 590 . 1 1 2 DTR HE3 H 2.932 10.453 -2.845 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE3 . . . . . . . . . rr_6tt6 1
. 5 . 591 . 1 1 2 DTR HH2 H 4.693 11.910 -6.487 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HH2 . . . . . . . . . rr_6tt6 1
. 5 . 592 . 1 1 2 DTR HZ2 H 6.928 11.923 -5.409 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ2 . . . . . . . . . rr_6tt6 1
. 5 . 593 . 1 1 2 DTR HZ3 H 2.703 11.175 -5.204 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ3 . . . . . . . . . rr_6tt6 1
. 5 . 594 . 1 1 2 DTR N N 5.988 7.829 -0.169 . . . 1.0 . . . . . . . . . . . . A . 2 DTR N . . . . . . . . . rr_6tt6 1
. 5 . 595 . 1 1 2 DTR NE1 N 7.250 11.087 -2.653 . . . 1.0 . . . . . . . . . . . . A . 2 DTR NE1 . . . . . . . . . rr_6tt6 1
. 5 . 596 . 1 1 2 DTR O O 2.736 8.508 1.123 . . . 1.0 . . . . . . . . . . . . A . 2 DTR O . . . . . . . . . rr_6tt6 1
. 5 . 597 . 1 1 3 VAL C C 4.188 5.785 3.622 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_6tt6 1
. 5 . 598 . 1 1 3 VAL CA C 3.297 6.139 2.429 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_6tt6 1
. 5 . 599 . 1 1 3 VAL CB C 2.590 4.880 1.925 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_6tt6 1
. 5 . 600 . 1 1 3 VAL CG1 C 1.635 5.252 0.788 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_6tt6 1
. 5 . 601 . 1 1 3 VAL CG2 C 3.630 3.884 1.409 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_6tt6 1
. 5 . 602 . 1 1 3 VAL H H 4.903 6.263 1.048 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_6tt6 1
. 5 . 603 . 1 1 3 VAL HA H 2.555 6.858 2.737 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_6tt6 1
. 5 . 604 . 1 1 3 VAL HB H 2.030 4.434 2.733 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_6tt6 1
. 5 . 605 . 1 1 3 VAL HG11 H 0.993 6.059 1.107 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_6tt6 1
. 5 . 606 . 1 1 3 VAL HG12 H 1.033 4.394 0.529 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_6tt6 1
. 5 . 607 . 1 1 3 VAL HG13 H 2.206 5.564 -0.073 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_6tt6 1
. 5 . 608 . 1 1 3 VAL HG21 H 3.129 3.016 1.006 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_6tt6 1
. 5 . 609 . 1 1 3 VAL HG22 H 4.274 3.582 2.223 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_6tt6 1
. 5 . 610 . 1 1 3 VAL HG23 H 4.223 4.349 0.636 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_6tt6 1
. 5 . 611 . 1 1 3 VAL N N 4.094 6.726 1.357 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_6tt6 1
. 5 . 612 . 1 1 3 VAL O O 5.396 5.604 3.466 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_6tt6 1
. 5 . 613 . 1 1 4 DPR C C 5.356 6.473 6.428 . . . 1.0 . . . . . . . . . . . . A . 4 DPR C . . . . . . . . . rr_6tt6 1
. 5 . 614 . 1 1 4 DPR CA C 4.401 5.350 6.032 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CA . . . . . . . . . rr_6tt6 1
. 5 . 615 . 1 1 4 DPR CB C 3.329 5.140 7.105 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CB . . . . . . . . . rr_6tt6 1
. 5 . 616 . 1 1 4 DPR CD C 2.194 5.882 5.095 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CD . . . . . . . . . rr_6tt6 1
. 5 . 617 . 1 1 4 DPR CG C 2.125 5.877 6.622 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CG . . . . . . . . . rr_6tt6 1
. 5 . 618 . 1 1 4 DPR HA H 4.947 4.433 5.886 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HA . . . . . . . . . rr_6tt6 1
. 5 . 619 . 1 1 4 DPR HB2 H 3.658 5.550 8.048 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB2 . . . . . . . . . rr_6tt6 1
. 5 . 620 . 1 1 4 DPR HB3 H 3.108 4.086 7.209 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB3 . . . . . . . . . rr_6tt6 1
. 5 . 621 . 1 1 4 DPR HD2 H 1.859 6.830 4.705 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD2 . . . . . . . . . rr_6tt6 1
. 5 . 622 . 1 1 4 DPR HD3 H 1.606 5.071 4.689 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD3 . . . . . . . . . rr_6tt6 1
. 5 . 623 . 1 1 4 DPR HG2 H 2.138 6.891 6.988 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG2 . . . . . . . . . rr_6tt6 1
. 5 . 624 . 1 1 4 DPR HG3 H 1.226 5.373 6.954 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG3 . . . . . . . . . rr_6tt6 1
. 5 . 625 . 1 1 4 DPR N N 3.625 5.686 4.803 . . . 1.0 . . . . . . . . . . . . A . 4 DPR N . . . . . . . . . rr_6tt6 1
. 5 . 626 . 1 1 4 DPR O O 6.349 6.241 7.118 . . . 1.0 . . . . . . . . . . . . A . 4 DPR O . . . . . . . . . rr_6tt6 1
. 5 . 627 . 1 1 5 GLU C C 7.336 8.565 5.899 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_6tt6 1
. 5 . 628 . 1 1 5 GLU CA C 5.889 8.838 6.294 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_6tt6 1
. 5 . 629 . 1 1 5 GLU CB C 5.815 9.151 7.790 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_6tt6 1
. 5 . 630 . 1 1 5 GLU CD C 4.299 9.869 9.646 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_6tt6 1
. 5 . 631 . 1 1 5 GLU CG C 4.395 9.592 8.150 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_6tt6 1
. 5 . 632 . 1 1 5 GLU H H 4.247 7.810 5.435 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_6tt6 1
. 5 . 633 . 1 1 5 GLU HA H 5.529 9.693 5.741 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_6tt6 1
. 5 . 634 . 1 1 5 GLU HB2 H 6.072 8.266 8.355 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_6tt6 1
. 5 . 635 . 1 1 5 GLU HB3 H 6.506 9.943 8.027 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_6tt6 1
. 5 . 636 . 1 1 5 GLU HG2 H 4.149 10.490 7.601 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_6tt6 1
. 5 . 637 . 1 1 5 GLU HG3 H 3.698 8.810 7.887 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_6tt6 1
. 5 . 638 . 1 1 5 GLU N N 5.050 7.687 5.983 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_6tt6 1
. 5 . 639 . 1 1 5 GLU O O 8.267 8.980 6.590 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_6tt6 1
. 5 . 640 . 1 1 5 GLU OE1 O 5.264 9.602 10.341 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_6tt6 1
. 5 . 641 . 1 1 5 GLU OE2 O 3.260 10.346 10.074 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . rr_6tt6 1
. 5 . 642 . 1 1 6 ALA C C 9.636 8.817 3.996 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6tt6 1
. 5 . 643 . 1 1 6 ALA CA C 8.857 7.543 4.305 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6tt6 1
. 5 . 644 . 1 1 6 ALA CB C 8.767 6.679 3.047 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6tt6 1
. 5 . 645 . 1 1 6 ALA H H 6.738 7.561 4.275 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6tt6 1
. 5 . 646 . 1 1 6 ALA HA H 9.379 6.990 5.072 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6tt6 1
. 5 . 647 . 1 1 6 ALA HB1 H 9.738 6.627 2.576 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6tt6 1
. 5 . 648 . 1 1 6 ALA HB2 H 8.057 7.116 2.361 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6tt6 1
. 5 . 649 . 1 1 6 ALA HB3 H 8.443 5.684 3.316 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6tt6 1
. 5 . 650 . 1 1 6 ALA N N 7.517 7.866 4.785 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6tt6 1
. 5 . 651 . 1 1 6 ALA O O 10.829 8.913 4.285 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6tt6 1
. 5 . 652 . 1 1 7 . C C 9.823 11.139 1.552 . . . 1.0 . . . . . . . . . . . . A . 7 DLY C . . . . . . . . . rr_6tt6 1
. 5 . 653 . 1 1 7 . CA C 9.591 11.056 3.058 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CA . . . . . . . . . rr_6tt6 1
. 5 . 654 . 1 1 7 . CB C 8.712 12.225 3.509 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CB . . . . . . . . . rr_6tt6 1
. 5 . 655 . 1 1 7 . CD C 8.677 14.662 4.063 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CD . . . . . . . . . rr_6tt6 1
. 5 . 656 . 1 1 7 . CE C 9.555 15.844 4.478 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CE . . . . . . . . . rr_6tt6 1
. 5 . 657 . 1 1 7 . CG C 9.566 13.488 3.646 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CG . . . . . . . . . rr_6tt6 1
. 5 . 658 . 1 1 7 . H H 8.006 9.659 3.197 . . . 1.0 . . . . . . . . . . . . A . 7 DLY H . . . . . . . . . rr_6tt6 1
. 5 . 659 . 1 1 7 . HA H 10.543 11.121 3.564 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HA . . . . . . . . . rr_6tt6 1
. 5 . 660 . 1 1 7 . HB2 H 8.264 11.991 4.463 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB2 . . . . . . . . . rr_6tt6 1
. 5 . 661 . 1 1 7 . HB3 H 7.935 12.393 2.777 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB3 . . . . . . . . . rr_6tt6 1
. 5 . 662 . 1 1 7 . HD2 H 8.056 14.367 4.895 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD2 . . . . . . . . . rr_6tt6 1
. 5 . 663 . 1 1 7 . HD3 H 8.051 14.951 3.231 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD3 . . . . . . . . . rr_6tt6 1
. 5 . 664 . 1 1 7 . HE2 H 10.201 15.545 5.290 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE2 . . . . . . . . . rr_6tt6 1
. 5 . 665 . 1 1 7 . HE3 H 8.927 16.662 4.801 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE3 . . . . . . . . . rr_6tt6 1
. 5 . 666 . 1 1 7 . HG2 H 10.035 13.712 2.700 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG2 . . . . . . . . . rr_6tt6 1
. 5 . 667 . 1 1 7 . HG3 H 10.326 13.327 4.396 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG3 . . . . . . . . . rr_6tt6 1
. 5 . 668 . 1 1 7 . HZ1 H 10.658 17.274 3.443 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ1 . . . . . . . . . rr_6tt6 1
. 5 . 669 . 1 1 7 . HZ2 H 9.831 16.179 2.441 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ2 . . . . . . . . . rr_6tt6 1
. 5 . 670 . 1 1 7 . HZ3 H 11.237 15.691 3.261 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ3 . . . . . . . . . rr_6tt6 1
. 5 . 671 . 1 1 7 . N N 8.954 9.792 3.404 . . . 1.0 . . . . . . . . . . . . A . 7 DLY N . . . . . . . . . rr_6tt6 1
. 5 . 672 . 1 1 7 . NZ N 10.383 16.280 3.318 . . . 1.0 . . . . . . . . . . . . A . 7 DLY NZ . . . . . . . . . rr_6tt6 1
. 5 . 673 . 1 1 7 . O O 9.772 12.219 0.964 . . . 1.0 . . . . . . . . . . . . A . 7 DLY O . . . . . . . . . rr_6tt6 1
. 5 . 674 . 1 1 8 ASP C C 9.389 8.930 -1.169 . . . 1.0 . . . . . . . . . . . . A . 8 ASP C . . . . . . . . . rr_6tt6 1
. 5 . 675 . 1 1 8 ASP CA C 10.315 9.944 -0.504 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CA . . . . . . . . . rr_6tt6 1
. 5 . 676 . 1 1 8 ASP CB C 11.771 9.566 -0.780 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CB . . . . . . . . . rr_6tt6 1
. 5 . 677 . 1 1 8 ASP CG C 12.687 10.738 -0.447 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CG . . . . . . . . . rr_6tt6 1
. 5 . 678 . 1 1 8 ASP H H 10.105 9.160 1.455 . . . 1.0 . . . . . . . . . . . . A . 8 ASP H . . . . . . . . . rr_6tt6 1
. 5 . 679 . 1 1 8 ASP HA H 10.124 10.920 -0.922 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HA . . . . . . . . . rr_6tt6 1
. 5 . 680 . 1 1 8 ASP HB2 H 12.042 8.715 -0.170 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB2 . . . . . . . . . rr_6tt6 1
. 5 . 681 . 1 1 8 ASP HB3 H 11.883 9.309 -1.823 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB3 . . . . . . . . . rr_6tt6 1
. 5 . 682 . 1 1 8 ASP N N 10.077 9.991 0.934 . . . 1.0 . . . . . . . . . . . . A . 8 ASP N . . . . . . . . . rr_6tt6 1
. 5 . 683 . 1 1 8 ASP O O 9.057 9.059 -2.347 . . . 1.0 . . . . . . . . . . . . A . 8 ASP O . . . . . . . . . rr_6tt6 1
. 5 . 684 . 1 1 8 ASP OD1 O 12.174 11.828 -0.253 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD1 . . . . . . . . . rr_6tt6 1
. 5 . 685 . 1 1 8 ASP OD2 O 13.888 10.529 -0.391 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD2 . . . . . . . . . rr_6tt6 1
. 6 . 686 . 1 1 1 TRP C C 6.687 7.527 -1.271 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_6tt6 1
. 6 . 687 . 1 1 1 TRP CA C 8.046 6.876 -1.041 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_6tt6 1
. 6 . 688 . 1 1 1 TRP CB C 7.891 5.658 -0.127 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_6tt6 1
. 6 . 689 . 1 1 1 TRP CD1 C 7.080 4.055 -1.904 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_6tt6 1
. 6 . 690 . 1 1 1 TRP CD2 C 8.961 3.347 -0.893 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_6tt6 1
. 6 . 691 . 1 1 1 TRP CE2 C 8.622 2.366 -1.856 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_6tt6 1
. 6 . 692 . 1 1 1 TRP CE3 C 10.113 3.141 -0.114 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_6tt6 1
. 6 . 693 . 1 1 1 TRP CG C 7.966 4.410 -0.945 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_6tt6 1
. 6 . 694 . 1 1 1 TRP CH2 C 10.541 1.031 -1.254 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_6tt6 1
. 6 . 695 . 1 1 1 TRP CZ2 C 9.399 1.221 -2.038 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_6tt6 1
. 6 . 696 . 1 1 1 TRP CZ3 C 10.897 1.989 -0.294 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_6tt6 1
. 6 . 697 . 1 1 1 TRP H1 H 9.256 7.715 0.484 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_6tt6 1
. 6 . 698 . 1 1 1 TRP HA H 8.436 6.548 -1.988 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_6tt6 1
. 6 . 699 . 1 1 1 TRP HB2 H 8.683 5.654 0.607 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_6tt6 1
. 6 . 700 . 1 1 1 TRP HB3 H 6.937 5.700 0.377 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_6tt6 1
. 6 . 701 . 1 1 1 TRP HD1 H 6.212 4.626 -2.199 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_6tt6 1
. 6 . 702 . 1 1 1 TRP HE1 H 6.998 2.367 -3.160 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_6tt6 1
. 6 . 703 . 1 1 1 TRP HE3 H 10.396 3.872 0.629 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_6tt6 1
. 6 . 704 . 1 1 1 TRP HH2 H 11.147 0.148 -1.389 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_6tt6 1
. 6 . 705 . 1 1 1 TRP HZ2 H 9.120 0.487 -2.779 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_6tt6 1
. 6 . 706 . 1 1 1 TRP HZ3 H 11.780 1.840 0.311 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_6tt6 1
. 6 . 707 . 1 1 1 TRP N N 8.978 7.829 -0.448 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_6tt6 1
. 6 . 708 . 1 1 1 TRP NE1 N 7.468 2.843 -2.446 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_6tt6 1
. 6 . 709 . 1 1 1 TRP O O 6.261 7.710 -2.412 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_6tt6 1
. 6 . 710 . 1 1 2 DTR C C 3.789 7.963 0.835 . . . 1.0 . . . . . . . . . . . . A . 2 DTR C . . . . . . . . . rr_6tt6 1
. 6 . 711 . 1 1 2 DTR CA C 4.696 8.487 -0.273 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CA . . . . . . . . . rr_6tt6 1
. 6 . 712 . 1 1 2 DTR CB C 4.828 10.007 -0.153 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CB . . . . . . . . . rr_6tt6 1
. 6 . 713 . 1 1 2 DTR CD1 C 6.986 10.672 -1.288 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD1 . . . . . . . . . rr_6tt6 1
. 6 . 714 . 1 1 2 DTR CD2 C 5.186 10.980 -2.603 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD2 . . . . . . . . . rr_6tt6 1
. 6 . 715 . 1 1 2 DTR CE2 C 6.313 11.387 -3.355 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE2 . . . . . . . . . rr_6tt6 1
. 6 . 716 . 1 1 2 DTR CE3 C 3.918 11.073 -3.206 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE3 . . . . . . . . . rr_6tt6 1
. 6 . 717 . 1 1 2 DTR CG C 5.640 10.529 -1.294 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CG . . . . . . . . . rr_6tt6 1
. 6 . 718 . 1 1 2 DTR CH2 C 4.920 11.956 -5.242 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CH2 . . . . . . . . . rr_6tt6 1
. 6 . 719 . 1 1 2 DTR CZ2 C 6.187 11.870 -4.659 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ2 . . . . . . . . . rr_6tt6 1
. 6 . 720 . 1 1 2 DTR CZ3 C 3.788 11.559 -4.517 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ3 . . . . . . . . . rr_6tt6 1
. 6 . 721 . 1 1 2 DTR H H 6.399 7.690 0.699 . . . 1.0 . . . . . . . . . . . . A . 2 DTR H . . . . . . . . . rr_6tt6 1
. 6 . 722 . 1 1 2 DTR HA H 4.259 8.248 -1.230 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HA . . . . . . . . . rr_6tt6 1
. 6 . 723 . 1 1 2 DTR HB2 H 5.315 10.254 0.778 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB2 . . . . . . . . . rr_6tt6 1
. 6 . 724 . 1 1 2 DTR HB3 H 3.845 10.456 -0.175 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB3 . . . . . . . . . rr_6tt6 1
. 6 . 725 . 1 1 2 DTR HD1 H 7.640 10.429 -0.464 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HD1 . . . . . . . . . rr_6tt6 1
. 6 . 726 . 1 1 2 DTR HE1 H 8.312 11.377 -2.766 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE1 . . . . . . . . . rr_6tt6 1
. 6 . 727 . 1 1 2 DTR HE3 H 3.039 10.769 -2.656 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE3 . . . . . . . . . rr_6tt6 1
. 6 . 728 . 1 1 2 DTR HH2 H 4.814 12.330 -6.250 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HH2 . . . . . . . . . rr_6tt6 1
. 6 . 729 . 1 1 2 DTR HZ2 H 7.063 12.175 -5.212 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ2 . . . . . . . . . rr_6tt6 1
. 6 . 730 . 1 1 2 DTR HZ3 H 2.810 11.626 -4.970 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ3 . . . . . . . . . rr_6tt6 1
. 6 . 731 . 1 1 2 DTR N N 6.010 7.866 -0.183 . . . 1.0 . . . . . . . . . . . . A . 2 DTR N . . . . . . . . . rr_6tt6 1
. 6 . 732 . 1 1 2 DTR NE1 N 7.386 11.180 -2.511 . . . 1.0 . . . . . . . . . . . . A . 2 DTR NE1 . . . . . . . . . rr_6tt6 1
. 6 . 733 . 1 1 2 DTR O O 2.803 8.604 1.199 . . . 1.0 . . . . . . . . . . . . A . 2 DTR O . . . . . . . . . rr_6tt6 1
. 6 . 734 . 1 1 3 VAL C C 4.232 5.797 3.609 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_6tt6 1
. 6 . 735 . 1 1 3 VAL CA C 3.334 6.191 2.434 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_6tt6 1
. 6 . 736 . 1 1 3 VAL CB C 2.605 4.954 1.908 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_6tt6 1
. 6 . 737 . 1 1 3 VAL CG1 C 1.646 5.362 0.789 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_6tt6 1
. 6 . 738 . 1 1 3 VAL CG2 C 3.628 3.955 1.360 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_6tt6 1
. 6 . 739 . 1 1 3 VAL H H 4.926 6.322 1.037 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_6tt6 1
. 6 . 740 . 1 1 3 VAL HA H 2.604 6.913 2.765 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_6tt6 1
. 6 . 741 . 1 1 3 VAL HB H 2.046 4.497 2.712 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_6tt6 1
. 6 . 742 . 1 1 3 VAL HG11 H 1.099 4.496 0.449 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_6tt6 1
. 6 . 743 . 1 1 3 VAL HG12 H 2.208 5.778 -0.034 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_6tt6 1
. 6 . 744 . 1 1 3 VAL HG13 H 0.953 6.102 1.161 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_6tt6 1
. 6 . 745 . 1 1 3 VAL HG21 H 4.316 3.679 2.146 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_6tt6 1
. 6 . 746 . 1 1 3 VAL HG22 H 4.174 4.409 0.546 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_6tt6 1
. 6 . 747 . 1 1 3 VAL HG23 H 3.116 3.074 1.004 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_6tt6 1
. 6 . 748 . 1 1 3 VAL N N 4.129 6.791 1.367 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_6tt6 1
. 6 . 749 . 1 1 3 VAL O O 5.433 5.596 3.436 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_6tt6 1
. 6 . 750 . 1 1 4 DPR C C 5.428 6.416 6.428 . . . 1.0 . . . . . . . . . . . . A . 4 DPR C . . . . . . . . . rr_6tt6 1
. 6 . 751 . 1 1 4 DPR CA C 4.462 5.312 6.008 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CA . . . . . . . . . rr_6tt6 1
. 6 . 752 . 1 1 4 DPR CB C 3.396 5.079 7.081 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CB . . . . . . . . . rr_6tt6 1
. 6 . 753 . 1 1 4 DPR CD C 2.257 5.902 5.107 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CD . . . . . . . . . rr_6tt6 1
. 6 . 754 . 1 1 4 DPR CG C 2.200 5.851 6.633 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CG . . . . . . . . . rr_6tt6 1
. 6 . 755 . 1 1 4 DPR HA H 5.001 4.395 5.834 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HA . . . . . . . . . rr_6tt6 1
. 6 . 756 . 1 1 4 DPR HB2 H 3.738 5.451 8.034 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB2 . . . . . . . . . rr_6tt6 1
. 6 . 757 . 1 1 4 DPR HB3 H 3.160 4.027 7.150 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB3 . . . . . . . . . rr_6tt6 1
. 6 . 758 . 1 1 4 DPR HD2 H 1.939 6.868 4.749 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD2 . . . . . . . . . rr_6tt6 1
. 6 . 759 . 1 1 4 DPR HD3 H 1.648 5.118 4.680 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD3 . . . . . . . . . rr_6tt6 1
. 6 . 760 . 1 1 4 DPR HG2 H 2.235 6.853 7.031 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG2 . . . . . . . . . rr_6tt6 1
. 6 . 761 . 1 1 4 DPR HG3 H 1.296 5.353 6.958 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG3 . . . . . . . . . rr_6tt6 1
. 6 . 762 . 1 1 4 DPR N N 3.679 5.686 4.793 . . . 1.0 . . . . . . . . . . . . A . 4 DPR N . . . . . . . . . rr_6tt6 1
. 6 . 763 . 1 1 4 DPR O O 6.456 6.151 7.052 . . . 1.0 . . . . . . . . . . . . A . 4 DPR O . . . . . . . . . rr_6tt6 1
. 6 . 764 . 1 1 5 GLU C C 7.364 8.561 5.943 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_6tt6 1
. 6 . 765 . 1 1 5 GLU CA C 5.934 8.793 6.421 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_6tt6 1
. 6 . 766 . 1 1 5 GLU CB C 5.929 9.012 7.935 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_6tt6 1
. 6 . 767 . 1 1 5 GLU CD C 3.966 10.560 7.833 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_6tt6 1
. 6 . 768 . 1 1 5 GLU CG C 4.495 9.252 8.412 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_6tt6 1
. 6 . 769 . 1 1 5 GLU H H 4.260 7.802 5.581 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_6tt6 1
. 6 . 770 . 1 1 5 GLU HA H 5.542 9.676 5.939 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_6tt6 1
. 6 . 771 . 1 1 5 GLU HB2 H 6.330 8.138 8.426 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_6tt6 1
. 6 . 772 . 1 1 5 GLU HB3 H 6.535 9.871 8.176 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_6tt6 1
. 6 . 773 . 1 1 5 GLU HG2 H 3.868 8.436 8.085 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_6tt6 1
. 6 . 774 . 1 1 5 GLU HG3 H 4.481 9.307 9.490 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_6tt6 1
. 6 . 775 . 1 1 5 GLU N N 5.091 7.653 6.079 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_6tt6 1
. 6 . 776 . 1 1 5 GLU O O 8.321 8.998 6.582 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_6tt6 1
. 6 . 777 . 1 1 5 GLU OE1 O 4.778 11.382 7.439 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_6tt6 1
. 6 . 778 . 1 1 5 GLU OE2 O 2.758 10.721 7.793 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . rr_6tt6 1
. 6 . 779 . 1 1 6 ALA C C 9.540 8.886 3.905 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6tt6 1
. 6 . 780 . 1 1 6 ALA CA C 8.817 7.589 4.258 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6tt6 1
. 6 . 781 . 1 1 6 ALA CB C 8.679 6.723 3.005 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6tt6 1
. 6 . 782 . 1 1 6 ALA H H 6.701 7.550 4.348 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6tt6 1
. 6 . 783 . 1 1 6 ALA HA H 9.400 7.053 4.991 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6tt6 1
. 6 . 784 . 1 1 6 ALA HB1 H 7.938 7.153 2.350 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6tt6 1
. 6 . 785 . 1 1 6 ALA HB2 H 8.374 5.726 3.289 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6tt6 1
. 6 . 786 . 1 1 6 ALA HB3 H 9.629 6.675 2.493 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6tt6 1
. 6 . 787 . 1 1 6 ALA N N 7.500 7.872 4.814 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6tt6 1
. 6 . 788 . 1 1 6 ALA O O 10.745 9.015 4.120 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6tt6 1
. 6 . 789 . 1 1 7 . C C 9.764 11.108 1.497 . . . 1.0 . . . . . . . . . . . . A . 7 DLY C . . . . . . . . . rr_6tt6 1
. 6 . 790 . 1 1 7 . CA C 9.373 11.123 2.974 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CA . . . . . . . . . rr_6tt6 1
. 6 . 791 . 1 1 7 . CB C 8.366 12.246 3.229 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CB . . . . . . . . . rr_6tt6 1
. 6 . 792 . 1 1 7 . CD C 8.090 14.704 3.581 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CD . . . . . . . . . rr_6tt6 1
. 6 . 793 . 1 1 7 . CE C 8.823 15.980 4.002 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CE . . . . . . . . . rr_6tt6 1
. 6 . 794 . 1 1 7 . CG C 9.105 13.580 3.365 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CG . . . . . . . . . rr_6tt6 1
. 6 . 795 . 1 1 7 . H H 7.840 9.680 3.207 . . . 1.0 . . . . . . . . . . . . A . 7 DLY H . . . . . . . . . rr_6tt6 1
. 6 . 796 . 1 1 7 . HA H 10.256 11.302 3.569 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HA . . . . . . . . . rr_6tt6 1
. 6 . 797 . 1 1 7 . HB2 H 7.824 12.043 4.140 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB2 . . . . . . . . . rr_6tt6 1
. 6 . 798 . 1 1 7 . HB3 H 7.672 12.301 2.402 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB3 . . . . . . . . . rr_6tt6 1
. 6 . 799 . 1 1 7 . HD2 H 7.396 14.419 4.357 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD2 . . . . . . . . . rr_6tt6 1
. 6 . 800 . 1 1 7 . HD3 H 7.551 14.884 2.663 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD3 . . . . . . . . . rr_6tt6 1
. 6 . 801 . 1 1 7 . HE2 H 9.385 15.791 4.905 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE2 . . . . . . . . . rr_6tt6 1
. 6 . 802 . 1 1 7 . HE3 H 8.104 16.765 4.183 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE3 . . . . . . . . . rr_6tt6 1
. 6 . 803 . 1 1 7 . HG2 H 9.668 13.775 2.466 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG2 . . . . . . . . . rr_6tt6 1
. 6 . 804 . 1 1 7 . HG3 H 9.778 13.534 4.210 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG3 . . . . . . . . . rr_6tt6 1
. 6 . 805 . 1 1 7 . HZ1 H 10.338 17.192 3.247 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ1 . . . . . . . . . rr_6tt6 1
. 6 . 806 . 1 1 7 . HZ2 H 9.204 16.694 2.084 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ2 . . . . . . . . . rr_6tt6 1
. 6 . 807 . 1 1 7 . HZ3 H 10.371 15.601 2.661 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ3 . . . . . . . . . rr_6tt6 1
. 6 . 808 . 1 1 7 . N N 8.795 9.840 3.357 . . . 1.0 . . . . . . . . . . . . A . 7 DLY N . . . . . . . . . rr_6tt6 1
. 6 . 809 . 1 1 7 . NZ N 9.754 16.399 2.916 . . . 1.0 . . . . . . . . . . . . A . 7 DLY NZ . . . . . . . . . rr_6tt6 1
. 6 . 810 . 1 1 7 . O O 9.811 12.150 0.846 . . . 1.0 . . . . . . . . . . . . A . 7 DLY O . . . . . . . . . rr_6tt6 1
. 6 . 811 . 1 1 8 ASP C C 9.459 8.849 -1.152 . . . 1.0 . . . . . . . . . . . . A . 8 ASP C . . . . . . . . . rr_6tt6 1
. 6 . 812 . 1 1 8 ASP CA C 10.426 9.776 -0.423 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CA . . . . . . . . . rr_6tt6 1
. 6 . 813 . 1 1 8 ASP CB C 11.846 9.214 -0.520 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CB . . . . . . . . . rr_6tt6 1
. 6 . 814 . 1 1 8 ASP CG C 12.436 9.511 -1.895 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CG . . . . . . . . . rr_6tt6 1
. 6 . 815 . 1 1 8 ASP H H 9.988 9.118 1.543 . . . 1.0 . . . . . . . . . . . . A . 8 ASP H . . . . . . . . . rr_6tt6 1
. 6 . 816 . 1 1 8 ASP HA H 10.401 10.747 -0.892 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HA . . . . . . . . . rr_6tt6 1
. 6 . 817 . 1 1 8 ASP HB2 H 12.463 9.670 0.241 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB2 . . . . . . . . . rr_6tt6 1
. 6 . 818 . 1 1 8 ASP HB3 H 11.820 8.146 -0.367 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB3 . . . . . . . . . rr_6tt6 1
. 6 . 819 . 1 1 8 ASP N N 10.042 9.916 0.977 . . . 1.0 . . . . . . . . . . . . A . 8 ASP N . . . . . . . . . rr_6tt6 1
. 6 . 820 . 1 1 8 ASP O O 9.155 9.054 -2.328 . . . 1.0 . . . . . . . . . . . . A . 8 ASP O . . . . . . . . . rr_6tt6 1
. 6 . 821 . 1 1 8 ASP OD1 O 11.813 10.249 -2.640 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD1 . . . . . . . . . rr_6tt6 1
. 6 . 822 . 1 1 8 ASP OD2 O 13.504 8.996 -2.183 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD2 . . . . . . . . . rr_6tt6 1
. 7 . 823 . 1 1 1 TRP C C 6.703 7.475 -1.229 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_6tt6 1
. 7 . 824 . 1 1 1 TRP CA C 8.080 6.886 -0.946 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_6tt6 1
. 7 . 825 . 1 1 1 TRP CB C 7.959 5.716 0.037 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_6tt6 1
. 7 . 826 . 1 1 1 TRP CD1 C 7.061 4.339 -1.886 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_6tt6 1
. 7 . 827 . 1 1 1 TRP CD2 C 8.166 3.095 -0.372 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_6tt6 1
. 7 . 828 . 1 1 1 TRP CE2 C 7.723 2.207 -1.382 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_6tt6 1
. 7 . 829 . 1 1 1 TRP CE3 C 8.895 2.561 0.707 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_6tt6 1
. 7 . 830 . 1 1 1 TRP CG C 7.734 4.443 -0.716 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_6tt6 1
. 7 . 831 . 1 1 1 TRP CH2 C 8.716 0.326 -0.243 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_6tt6 1
. 7 . 832 . 1 1 1 TRP CZ2 C 7.992 0.839 -1.322 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_6tt6 1
. 7 . 833 . 1 1 1 TRP CZ3 C 9.167 1.185 0.769 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_6tt6 1
. 7 . 834 . 1 1 1 TRP H1 H 9.249 7.849 0.536 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_6tt6 1
. 7 . 835 . 1 1 1 TRP HA H 8.494 6.519 -1.870 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_6tt6 1
. 7 . 836 . 1 1 1 TRP HB2 H 8.872 5.635 0.610 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_6tt6 1
. 7 . 837 . 1 1 1 TRP HB3 H 7.132 5.888 0.708 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_6tt6 1
. 7 . 838 . 1 1 1 TRP HD1 H 6.605 5.156 -2.424 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_6tt6 1
. 7 . 839 . 1 1 1 TRP HE1 H 6.634 2.668 -3.097 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_6tt6 1
. 7 . 840 . 1 1 1 TRP HE3 H 9.246 3.213 1.491 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_6tt6 1
. 7 . 841 . 1 1 1 TRP HH2 H 8.927 -0.732 -0.190 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_6tt6 1
. 7 . 842 . 1 1 1 TRP HZ2 H 7.641 0.183 -2.106 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_6tt6 1
. 7 . 843 . 1 1 1 TRP HZ3 H 9.726 0.785 1.602 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_6tt6 1
. 7 . 844 . 1 1 1 TRP N N 8.975 7.901 -0.403 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_6tt6 1
. 7 . 845 . 1 1 1 TRP NE1 N 7.054 3.013 -2.282 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_6tt6 1
. 7 . 846 . 1 1 1 TRP O O 6.295 7.597 -2.384 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_6tt6 1
. 7 . 847 . 1 1 2 DTR C C 3.745 7.893 0.798 . . . 1.0 . . . . . . . . . . . . A . 2 DTR C . . . . . . . . . rr_6tt6 1
. 7 . 848 . 1 1 2 DTR CA C 4.657 8.400 -0.313 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CA . . . . . . . . . rr_6tt6 1
. 7 . 849 . 1 1 2 DTR CB C 4.730 9.928 -0.261 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CB . . . . . . . . . rr_6tt6 1
. 7 . 850 . 1 1 2 DTR CD1 C 6.883 10.624 -1.387 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD1 . . . . . . . . . rr_6tt6 1
. 7 . 851 . 1 1 2 DTR CD2 C 5.099 10.797 -2.748 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD2 . . . . . . . . . rr_6tt6 1
. 7 . 852 . 1 1 2 DTR CE2 C 6.224 11.214 -3.498 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE2 . . . . . . . . . rr_6tt6 1
. 7 . 853 . 1 1 2 DTR CE3 C 3.840 10.812 -3.376 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE3 . . . . . . . . . rr_6tt6 1
. 7 . 854 . 1 1 2 DTR CG C 5.544 10.428 -1.411 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CG . . . . . . . . . rr_6tt6 1
. 7 . 855 . 1 1 2 DTR CH2 C 4.847 11.637 -5.434 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CH2 . . . . . . . . . rr_6tt6 1
. 7 . 856 . 1 1 2 DTR CZ2 C 6.106 11.630 -4.825 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ2 . . . . . . . . . rr_6tt6 1
. 7 . 857 . 1 1 2 DTR CZ3 C 3.718 11.230 -4.711 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ3 . . . . . . . . . rr_6tt6 1
. 7 . 858 . 1 1 2 DTR H H 6.364 7.707 0.726 . . . 1.0 . . . . . . . . . . . . A . 2 DTR H . . . . . . . . . rr_6tt6 1
. 7 . 859 . 1 1 2 DTR HA H 4.248 8.103 -1.268 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HA . . . . . . . . . rr_6tt6 1
. 7 . 860 . 1 1 2 DTR HB2 H 5.192 10.234 0.667 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB2 . . . . . . . . . rr_6tt6 1
. 7 . 861 . 1 1 2 DTR HB3 H 3.733 10.338 -0.320 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB3 . . . . . . . . . rr_6tt6 1
. 7 . 862 . 1 1 2 DTR HD1 H 7.529 10.445 -0.541 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HD1 . . . . . . . . . rr_6tt6 1
. 7 . 863 . 1 1 2 DTR HE1 H 8.210 11.311 -2.872 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE1 . . . . . . . . . rr_6tt6 1
. 7 . 864 . 1 1 2 DTR HE3 H 2.964 10.499 -2.829 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE3 . . . . . . . . . rr_6tt6 1
. 7 . 865 . 1 1 2 DTR HH2 H 4.747 11.958 -6.460 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HH2 . . . . . . . . . rr_6tt6 1
. 7 . 866 . 1 1 2 DTR HZ2 H 6.979 11.943 -5.376 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ2 . . . . . . . . . rr_6tt6 1
. 7 . 867 . 1 1 2 DTR HZ3 H 2.747 11.236 -5.184 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ3 . . . . . . . . . rr_6tt6 1
. 7 . 868 . 1 1 2 DTR N N 5.989 7.832 -0.169 . . . 1.0 . . . . . . . . . . . . A . 2 DTR N . . . . . . . . . rr_6tt6 1
. 7 . 869 . 1 1 2 DTR NE1 N 7.287 11.090 -2.625 . . . 1.0 . . . . . . . . . . . . A . 2 DTR NE1 . . . . . . . . . rr_6tt6 1
. 7 . 870 . 1 1 2 DTR O O 2.748 8.531 1.137 . . . 1.0 . . . . . . . . . . . . A . 2 DTR O . . . . . . . . . rr_6tt6 1
. 7 . 871 . 1 1 3 VAL C C 4.192 5.787 3.621 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_6tt6 1
. 7 . 872 . 1 1 3 VAL CA C 3.299 6.152 2.433 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_6tt6 1
. 7 . 873 . 1 1 3 VAL CB C 2.582 4.900 1.925 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_6tt6 1
. 7 . 874 . 1 1 3 VAL CG1 C 1.627 5.282 0.794 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_6tt6 1
. 7 . 875 . 1 1 3 VAL CG2 C 3.615 3.899 1.404 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_6tt6 1
. 7 . 876 . 1 1 3 VAL H H 4.901 6.273 1.047 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_6tt6 1
. 7 . 877 . 1 1 3 VAL HA H 2.563 6.874 2.748 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_6tt6 1
. 7 . 878 . 1 1 3 VAL HB H 2.022 4.453 2.734 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_6tt6 1
. 7 . 879 . 1 1 3 VAL HG11 H 1.024 6.123 1.100 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_6tt6 1
. 7 . 880 . 1 1 3 VAL HG12 H 0.985 4.443 0.566 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_6tt6 1
. 7 . 881 . 1 1 3 VAL HG13 H 2.197 5.547 -0.084 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_6tt6 1
. 7 . 882 . 1 1 3 VAL HG21 H 3.107 3.042 0.987 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_6tt6 1
. 7 . 883 . 1 1 3 VAL HG22 H 4.251 3.580 2.216 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_6tt6 1
. 7 . 884 . 1 1 3 VAL HG23 H 4.216 4.367 0.638 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_6tt6 1
. 7 . 885 . 1 1 3 VAL N N 4.096 6.739 1.361 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_6tt6 1
. 7 . 886 . 1 1 3 VAL O O 5.398 5.600 3.460 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_6tt6 1
. 7 . 887 . 1 1 4 DPR C C 5.374 6.457 6.427 . . . 1.0 . . . . . . . . . . . . A . 4 DPR C . . . . . . . . . rr_6tt6 1
. 7 . 888 . 1 1 4 DPR CA C 4.413 5.341 6.028 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CA . . . . . . . . . rr_6tt6 1
. 7 . 889 . 1 1 4 DPR CB C 3.344 5.129 7.103 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CB . . . . . . . . . rr_6tt6 1
. 7 . 890 . 1 1 4 DPR CD C 2.206 5.889 5.103 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CD . . . . . . . . . rr_6tt6 1
. 7 . 891 . 1 1 4 DPR CG C 2.142 5.876 6.630 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CG . . . . . . . . . rr_6tt6 1
. 7 . 892 . 1 1 4 DPR HA H 4.954 4.422 5.875 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HA . . . . . . . . . rr_6tt6 1
. 7 . 893 . 1 1 4 DPR HB2 H 3.679 5.530 8.048 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB2 . . . . . . . . . rr_6tt6 1
. 7 . 894 . 1 1 4 DPR HB3 H 3.118 4.076 7.201 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB3 . . . . . . . . . rr_6tt6 1
. 7 . 895 . 1 1 4 DPR HD2 H 1.875 6.842 4.719 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD2 . . . . . . . . . rr_6tt6 1
. 7 . 896 . 1 1 4 DPR HD3 H 1.611 5.084 4.694 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD3 . . . . . . . . . rr_6tt6 1
. 7 . 897 . 1 1 4 DPR HG2 H 2.164 6.887 7.002 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG2 . . . . . . . . . rr_6tt6 1
. 7 . 898 . 1 1 4 DPR HG3 H 1.242 5.376 6.962 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG3 . . . . . . . . . rr_6tt6 1
. 7 . 899 . 1 1 4 DPR N N 3.633 5.687 4.803 . . . 1.0 . . . . . . . . . . . . A . 4 DPR N . . . . . . . . . rr_6tt6 1
. 7 . 900 . 1 1 4 DPR O O 6.376 6.216 7.100 . . . 1.0 . . . . . . . . . . . . A . 4 DPR O . . . . . . . . . rr_6tt6 1
. 7 . 901 . 1 1 5 GLU C C 7.346 8.560 5.899 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_6tt6 1
. 7 . 902 . 1 1 5 GLU CA C 5.905 8.824 6.321 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_6tt6 1
. 7 . 903 . 1 1 5 GLU CB C 5.854 9.112 7.823 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_6tt6 1
. 7 . 904 . 1 1 5 GLU CD C 3.906 10.664 7.591 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_6tt6 1
. 7 . 905 . 1 1 5 GLU CG C 4.408 9.381 8.243 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_6tt6 1
. 7 . 906 . 1 1 5 GLU H H 4.250 7.809 5.470 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_6tt6 1
. 7 . 907 . 1 1 5 GLU HA H 5.536 9.688 5.788 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_6tt6 1
. 7 . 908 . 1 1 5 GLU HB2 H 6.235 8.258 8.366 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_6tt6 1
. 7 . 909 . 1 1 5 GLU HB3 H 6.458 9.978 8.044 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_6tt6 1
. 7 . 910 . 1 1 5 GLU HG2 H 3.786 8.554 7.934 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_6tt6 1
. 7 . 911 . 1 1 5 GLU HG3 H 4.361 9.485 9.317 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_6tt6 1
. 7 . 912 . 1 1 5 GLU N N 5.061 7.677 6.005 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_6tt6 1
. 7 . 913 . 1 1 5 GLU O O 8.287 8.973 6.577 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_6tt6 1
. 7 . 914 . 1 1 5 GLU OE1 O 2.701 10.831 7.506 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_6tt6 1
. 7 . 915 . 1 1 5 GLU OE2 O 4.734 11.463 7.185 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . rr_6tt6 1
. 7 . 916 . 1 1 6 ALA C C 9.611 8.838 3.957 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6tt6 1
. 7 . 917 . 1 1 6 ALA CA C 8.843 7.558 4.270 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6tt6 1
. 7 . 918 . 1 1 6 ALA CB C 8.735 6.704 3.006 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6tt6 1
. 7 . 919 . 1 1 6 ALA H H 6.723 7.569 4.276 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6tt6 1
. 7 . 920 . 1 1 6 ALA HA H 9.381 7.002 5.022 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6tt6 1
. 7 . 921 . 1 1 6 ALA HB1 H 8.060 7.177 2.308 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6tt6 1
. 7 . 922 . 1 1 6 ALA HB2 H 8.358 5.725 3.264 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6tt6 1
. 7 . 923 . 1 1 6 ALA HB3 H 9.710 6.606 2.554 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6tt6 1
. 7 . 924 . 1 1 6 ALA N N 7.511 7.871 4.775 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6tt6 1
. 7 . 925 . 1 1 6 ALA O O 10.809 8.937 4.225 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6tt6 1
. 7 . 926 . 1 1 7 . C C 9.831 11.141 1.544 . . . 1.0 . . . . . . . . . . . . A . 7 DLY C . . . . . . . . . rr_6tt6 1
. 7 . 927 . 1 1 7 . CA C 9.540 11.087 3.041 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CA . . . . . . . . . rr_6tt6 1
. 7 . 928 . 1 1 7 . CB C 8.618 12.245 3.429 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CB . . . . . . . . . rr_6tt6 1
. 7 . 929 . 1 1 7 . CD C 8.513 14.690 3.936 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CD . . . . . . . . . rr_6tt6 1
. 7 . 930 . 1 1 7 . CE C 9.347 15.894 4.376 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CE . . . . . . . . . rr_6tt6 1
. 7 . 931 . 1 1 7 . CG C 9.441 13.526 3.585 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CG . . . . . . . . . rr_6tt6 1
. 7 . 932 . 1 1 7 . H H 7.962 9.680 3.197 . . . 1.0 . . . . . . . . . . . . A . 7 DLY H . . . . . . . . . rr_6tt6 1
. 7 . 933 . 1 1 7 . HA H 10.468 11.181 3.584 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HA . . . . . . . . . rr_6tt6 1
. 7 . 934 . 1 1 7 . HB2 H 8.129 12.018 4.365 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB2 . . . . . . . . . rr_6tt6 1
. 7 . 935 . 1 1 7 . HB3 H 7.874 12.386 2.658 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB3 . . . . . . . . . rr_6tt6 1
. 7 . 936 . 1 1 7 . HD2 H 7.854 14.397 4.740 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD2 . . . . . . . . . rr_6tt6 1
. 7 . 937 . 1 1 7 . HD3 H 7.925 14.955 3.068 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD3 . . . . . . . . . rr_6tt6 1
. 7 . 938 . 1 1 7 . HE2 H 9.954 15.621 5.226 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE2 . . . . . . . . . rr_6tt6 1
. 7 . 939 . 1 1 7 . HE3 H 8.690 16.707 4.651 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE3 . . . . . . . . . rr_6tt6 1
. 7 . 940 . 1 1 7 . HG2 H 9.952 13.742 2.660 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG2 . . . . . . . . . rr_6tt6 1
. 7 . 941 . 1 1 7 . HG3 H 10.167 13.393 4.374 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG3 . . . . . . . . . rr_6tt6 1
. 7 . 942 . 1 1 7 . HZ1 H 10.879 15.555 3.007 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ1 . . . . . . . . . rr_6tt6 1
. 7 . 943 . 1 1 7 . HZ2 H 10.774 17.163 3.545 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ2 . . . . . . . . . rr_6tt6 1
. 7 . 944 . 1 1 7 . HZ3 H 9.645 16.563 2.426 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ3 . . . . . . . . . rr_6tt6 1
. 7 . 945 . 1 1 7 . N N 8.913 9.816 3.389 . . . 1.0 . . . . . . . . . . . . A . 7 DLY N . . . . . . . . . rr_6tt6 1
. 7 . 946 . 1 1 7 . NZ N 10.228 16.327 3.254 . . . 1.0 . . . . . . . . . . . . A . 7 DLY NZ . . . . . . . . . rr_6tt6 1
. 7 . 947 . 1 1 7 . O O 9.843 12.213 0.941 . . . 1.0 . . . . . . . . . . . . A . 7 DLY O . . . . . . . . . rr_6tt6 1
. 7 . 948 . 1 1 8 ASP C C 9.423 8.899 -1.159 . . . 1.0 . . . . . . . . . . . . A . 8 ASP C . . . . . . . . . rr_6tt6 1
. 7 . 949 . 1 1 8 ASP CA C 10.352 9.898 -0.476 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CA . . . . . . . . . rr_6tt6 1
. 7 . 950 . 1 1 8 ASP CB C 11.807 9.476 -0.692 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CB . . . . . . . . . rr_6tt6 1
. 7 . 951 . 1 1 8 ASP CG C 11.870 8.002 -1.078 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CG . . . . . . . . . rr_6tt6 1
. 7 . 952 . 1 1 8 ASP H H 10.039 9.151 1.482 . . . 1.0 . . . . . . . . . . . . A . 8 ASP H . . . . . . . . . rr_6tt6 1
. 7 . 953 . 1 1 8 ASP HA H 10.204 10.872 -0.916 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HA . . . . . . . . . rr_6tt6 1
. 7 . 954 . 1 1 8 ASP HB2 H 12.239 10.072 -1.483 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB2 . . . . . . . . . rr_6tt6 1
. 7 . 955 . 1 1 8 ASP HB3 H 12.364 9.630 0.220 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB3 . . . . . . . . . rr_6tt6 1
. 7 . 956 . 1 1 8 ASP N N 10.063 9.974 0.951 . . . 1.0 . . . . . . . . . . . . A . 8 ASP N . . . . . . . . . rr_6tt6 1
. 7 . 957 . 1 1 8 ASP O O 9.121 9.028 -2.345 . . . 1.0 . . . . . . . . . . . . A . 8 ASP O . . . . . . . . . rr_6tt6 1
. 7 . 958 . 1 1 8 ASP OD1 O 11.899 7.721 -2.265 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD1 . . . . . . . . . rr_6tt6 1
. 7 . 959 . 1 1 8 ASP OD2 O 11.888 7.175 -0.182 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD2 . . . . . . . . . rr_6tt6 1
. 8 . 960 . 1 1 1 TRP C C 6.697 7.479 -1.237 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_6tt6 1
. 8 . 961 . 1 1 1 TRP CA C 8.073 6.883 -0.960 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_6tt6 1
. 8 . 962 . 1 1 1 TRP CB C 7.949 5.703 0.010 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_6tt6 1
. 8 . 963 . 1 1 1 TRP CD1 C 7.070 4.333 -1.927 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_6tt6 1
. 8 . 964 . 1 1 1 TRP CD2 C 8.209 3.092 -0.435 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_6tt6 1
. 8 . 965 . 1 1 1 TRP CE2 C 7.779 2.210 -1.454 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_6tt6 1
. 8 . 966 . 1 1 1 TRP CE3 C 8.952 2.561 0.634 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_6tt6 1
. 8 . 967 . 1 1 1 TRP CG C 7.746 4.436 -0.759 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_6tt6 1
. 8 . 968 . 1 1 1 TRP CH2 C 8.817 0.334 -0.345 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_6tt6 1
. 8 . 969 . 1 1 1 TRP CZ2 C 8.077 0.846 -1.414 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_6tt6 1
. 8 . 970 . 1 1 1 TRP CZ3 C 9.255 1.189 0.677 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_6tt6 1
. 8 . 971 . 1 1 1 TRP H1 H 9.229 7.836 0.538 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_6tt6 1
. 8 . 972 . 1 1 1 TRP HA H 8.486 6.526 -1.888 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_6tt6 1
. 8 . 973 . 1 1 1 TRP HB2 H 8.854 5.625 0.596 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_6tt6 1
. 8 . 974 . 1 1 1 TRP HB3 H 7.109 5.862 0.669 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_6tt6 1
. 8 . 975 . 1 1 1 TRP HD1 H 6.594 5.149 -2.452 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_6tt6 1
. 8 . 976 . 1 1 1 TRP HE1 H 6.671 2.670 -3.157 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_6tt6 1
. 8 . 977 . 1 1 1 TRP HE3 H 9.295 3.210 1.426 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_6tt6 1
. 8 . 978 . 1 1 1 TRP HH2 H 9.052 -0.719 -0.306 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_6tt6 1
. 8 . 979 . 1 1 1 TRP HZ2 H 7.739 0.193 -2.204 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_6tt6 1
. 8 . 980 . 1 1 1 TRP HZ3 H 9.826 0.790 1.502 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_6tt6 1
. 8 . 981 . 1 1 1 TRP N N 8.970 7.891 -0.405 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_6tt6 1
. 8 . 982 . 1 1 1 TRP NE1 N 7.090 3.013 -2.339 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_6tt6 1
. 8 . 983 . 1 1 1 TRP O O 6.284 7.605 -2.390 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_6tt6 1
. 8 . 984 . 1 1 2 DTR C C 3.749 7.903 0.803 . . . 1.0 . . . . . . . . . . . . A . 2 DTR C . . . . . . . . . rr_6tt6 1
. 8 . 985 . 1 1 2 DTR CA C 4.658 8.411 -0.310 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CA . . . . . . . . . rr_6tt6 1
. 8 . 986 . 1 1 2 DTR CB C 4.738 9.938 -0.252 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CB . . . . . . . . . rr_6tt6 1
. 8 . 987 . 1 1 2 DTR CD1 C 6.890 10.630 -1.384 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD1 . . . . . . . . . rr_6tt6 1
. 8 . 988 . 1 1 2 DTR CD2 C 5.102 10.814 -2.738 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD2 . . . . . . . . . rr_6tt6 1
. 8 . 989 . 1 1 2 DTR CE2 C 6.227 11.229 -3.491 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE2 . . . . . . . . . rr_6tt6 1
. 8 . 990 . 1 1 2 DTR CE3 C 3.842 10.834 -3.363 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE3 . . . . . . . . . rr_6tt6 1
. 8 . 991 . 1 1 2 DTR CG C 5.550 10.439 -1.403 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CG . . . . . . . . . rr_6tt6 1
. 8 . 992 . 1 1 2 DTR CH2 C 4.847 11.663 -5.421 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CH2 . . . . . . . . . rr_6tt6 1
. 8 . 993 . 1 1 2 DTR CZ2 C 6.106 11.649 -4.815 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ2 . . . . . . . . . rr_6tt6 1
. 8 . 994 . 1 1 2 DTR CZ3 C 3.717 11.257 -4.696 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ3 . . . . . . . . . rr_6tt6 1
. 8 . 995 . 1 1 2 DTR H H 6.369 7.709 0.722 . . . 1.0 . . . . . . . . . . . . A . 2 DTR H . . . . . . . . . rr_6tt6 1
. 8 . 996 . 1 1 2 DTR HA H 4.245 8.119 -1.263 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HA . . . . . . . . . rr_6tt6 1
. 8 . 997 . 1 1 2 DTR HB2 H 5.203 10.239 0.675 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB2 . . . . . . . . . rr_6tt6 1
. 8 . 998 . 1 1 2 DTR HB3 H 3.742 10.353 -0.307 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB3 . . . . . . . . . rr_6tt6 1
. 8 . 999 . 1 1 2 DTR HD1 H 7.538 10.447 -0.539 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HD1 . . . . . . . . . rr_6tt6 1
. 8 . 1000 . 1 1 2 DTR HE1 H 8.215 11.318 -2.870 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE1 . . . . . . . . . rr_6tt6 1
. 8 . 1001 . 1 1 2 DTR HE3 H 2.967 10.524 -2.814 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE3 . . . . . . . . . rr_6tt6 1
. 8 . 1002 . 1 1 2 DTR HH2 H 4.744 11.987 -6.446 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HH2 . . . . . . . . . rr_6tt6 1
. 8 . 1003 . 1 1 2 DTR HZ2 H 6.979 11.961 -5.368 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ2 . . . . . . . . . rr_6tt6 1
. 8 . 1004 . 1 1 2 DTR HZ3 H 2.745 11.269 -5.167 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ3 . . . . . . . . . rr_6tt6 1
. 8 . 1005 . 1 1 2 DTR N N 5.990 7.837 -0.173 . . . 1.0 . . . . . . . . . . . . A . 2 DTR N . . . . . . . . . rr_6tt6 1
. 8 . 1006 . 1 1 2 DTR NE1 N 7.292 11.100 -2.621 . . . 1.0 . . . . . . . . . . . . A . 2 DTR NE1 . . . . . . . . . rr_6tt6 1
. 8 . 1007 . 1 1 2 DTR O O 2.756 8.543 1.149 . . . 1.0 . . . . . . . . . . . . A . 2 DTR O . . . . . . . . . rr_6tt6 1
. 8 . 1008 . 1 1 3 VAL C C 4.199 5.789 3.619 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_6tt6 1
. 8 . 1009 . 1 1 3 VAL CA C 3.304 6.159 2.434 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_6tt6 1
. 8 . 1010 . 1 1 3 VAL CB C 2.583 4.909 1.927 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_6tt6 1
. 8 . 1011 . 1 1 3 VAL CG1 C 1.624 5.294 0.799 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_6tt6 1
. 8 . 1012 . 1 1 3 VAL CG2 C 3.613 3.907 1.399 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_6tt6 1
. 8 . 1013 . 1 1 3 VAL H H 4.900 6.278 1.043 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_6tt6 1
. 8 . 1014 . 1 1 3 VAL HA H 2.569 6.881 2.752 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_6tt6 1
. 8 . 1015 . 1 1 3 VAL HB H 2.025 4.461 2.736 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_6tt6 1
. 8 . 1016 . 1 1 3 VAL HG11 H 2.186 5.715 -0.023 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_6tt6 1
. 8 . 1017 . 1 1 3 VAL HG12 H 0.916 6.024 1.162 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_6tt6 1
. 8 . 1018 . 1 1 3 VAL HG13 H 1.095 4.416 0.461 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_6tt6 1
. 8 . 1019 . 1 1 3 VAL HG21 H 4.219 3.548 2.217 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_6tt6 1
. 8 . 1020 . 1 1 3 VAL HG22 H 4.244 4.391 0.668 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_6tt6 1
. 8 . 1021 . 1 1 3 VAL HG23 H 3.103 3.075 0.937 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_6tt6 1
. 8 . 1022 . 1 1 3 VAL N N 4.097 6.746 1.361 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_6tt6 1
. 8 . 1023 . 1 1 3 VAL O O 5.404 5.600 3.454 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_6tt6 1
. 8 . 1024 . 1 1 4 DPR C C 5.389 6.449 6.424 . . . 1.0 . . . . . . . . . . . . A . 4 DPR C . . . . . . . . . rr_6tt6 1
. 8 . 1025 . 1 1 4 DPR CA C 4.424 5.337 6.025 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CA . . . . . . . . . rr_6tt6 1
. 8 . 1026 . 1 1 4 DPR CB C 3.358 5.125 7.103 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CB . . . . . . . . . rr_6tt6 1
. 8 . 1027 . 1 1 4 DPR CD C 2.216 5.891 5.107 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CD . . . . . . . . . rr_6tt6 1
. 8 . 1028 . 1 1 4 DPR CG C 2.156 5.876 6.633 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CG . . . . . . . . . rr_6tt6 1
. 8 . 1029 . 1 1 4 DPR HA H 4.964 4.417 5.868 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HA . . . . . . . . . rr_6tt6 1
. 8 . 1030 . 1 1 4 DPR HB2 H 3.696 5.523 8.047 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB2 . . . . . . . . . rr_6tt6 1
. 8 . 1031 . 1 1 4 DPR HB3 H 3.129 4.072 7.199 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB3 . . . . . . . . . rr_6tt6 1
. 8 . 1032 . 1 1 4 DPR HD2 H 1.886 6.844 4.725 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD2 . . . . . . . . . rr_6tt6 1
. 8 . 1033 . 1 1 4 DPR HD3 H 1.618 5.088 4.698 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD3 . . . . . . . . . rr_6tt6 1
. 8 . 1034 . 1 1 4 DPR HG2 H 2.182 6.887 7.007 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG2 . . . . . . . . . rr_6tt6 1
. 8 . 1035 . 1 1 4 DPR HG3 H 1.256 5.377 6.967 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG3 . . . . . . . . . rr_6tt6 1
. 8 . 1036 . 1 1 4 DPR N N 3.643 5.687 4.803 . . . 1.0 . . . . . . . . . . . . A . 4 DPR N . . . . . . . . . rr_6tt6 1
. 8 . 1037 . 1 1 4 DPR O O 6.401 6.202 7.080 . . . 1.0 . . . . . . . . . . . . A . 4 DPR O . . . . . . . . . rr_6tt6 1
. 8 . 1038 . 1 1 5 GLU C C 7.351 8.560 5.903 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_6tt6 1
. 8 . 1039 . 1 1 5 GLU CA C 5.913 8.819 6.340 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_6tt6 1
. 8 . 1040 . 1 1 5 GLU CB C 5.875 9.095 7.844 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_6tt6 1
. 8 . 1041 . 1 1 5 GLU CD C 4.406 9.764 9.756 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_6tt6 1
. 8 . 1042 . 1 1 5 GLU CG C 4.464 9.522 8.251 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_6tt6 1
. 8 . 1043 . 1 1 5 GLU H H 4.250 7.810 5.500 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_6tt6 1
. 8 . 1044 . 1 1 5 GLU HA H 5.539 9.687 5.817 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_6tt6 1
. 8 . 1045 . 1 1 5 GLU HB2 H 6.150 8.198 8.381 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_6tt6 1
. 8 . 1046 . 1 1 5 GLU HB3 H 6.572 9.884 8.084 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_6tt6 1
. 8 . 1047 . 1 1 5 GLU HG2 H 4.201 10.432 7.731 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_6tt6 1
. 8 . 1048 . 1 1 5 GLU HG3 H 3.764 8.743 7.987 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_6tt6 1
. 8 . 1049 . 1 1 5 GLU N N 5.068 7.675 6.021 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_6tt6 1
. 8 . 1050 . 1 1 5 GLU O O 8.298 8.971 6.574 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_6tt6 1
. 8 . 1051 . 1 1 5 GLU OE1 O 3.376 10.222 10.223 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_6tt6 1
. 8 . 1052 . 1 1 5 GLU OE2 O 5.392 9.486 10.419 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . rr_6tt6 1
. 8 . 1053 . 1 1 6 ALA C C 9.597 8.848 3.941 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6tt6 1
. 8 . 1054 . 1 1 6 ALA CA C 8.833 7.566 4.256 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6tt6 1
. 8 . 1055 . 1 1 6 ALA CB C 8.714 6.716 2.990 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6tt6 1
. 8 . 1056 . 1 1 6 ALA H H 6.714 7.573 4.282 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6tt6 1
. 8 . 1057 . 1 1 6 ALA HA H 9.379 7.007 5.001 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6tt6 1
. 8 . 1058 . 1 1 6 ALA HB1 H 9.662 6.706 2.472 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6tt6 1
. 8 . 1059 . 1 1 6 ALA HB2 H 7.957 7.136 2.344 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6tt6 1
. 8 . 1060 . 1 1 6 ALA HB3 H 8.439 5.707 3.259 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6tt6 1
. 8 . 1061 . 1 1 6 ALA N N 7.506 7.875 4.775 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6tt6 1
. 8 . 1062 . 1 1 6 ALA O O 10.798 8.945 4.195 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6tt6 1
. 8 . 1063 . 1 1 7 . C C 9.840 11.139 1.544 . . . 1.0 . . . . . . . . . . . . A . 7 DLY C . . . . . . . . . rr_6tt6 1
. 8 . 1064 . 1 1 7 . CA C 9.513 11.100 3.033 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CA . . . . . . . . . rr_6tt6 1
. 8 . 1065 . 1 1 7 . CB C 8.573 12.254 3.382 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CB . . . . . . . . . rr_6tt6 1
. 8 . 1066 . 1 1 7 . CD C 8.462 14.677 4.003 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CD . . . . . . . . . rr_6tt6 1
. 8 . 1067 . 1 1 7 . CE C 7.584 15.094 2.822 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CE . . . . . . . . . rr_6tt6 1
. 8 . 1068 . 1 1 7 . CG C 9.389 13.535 3.576 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CG . . . . . . . . . rr_6tt6 1
. 8 . 1069 . 1 1 7 . H H 7.939 9.691 3.203 . . . 1.0 . . . . . . . . . . . . A . 7 DLY H . . . . . . . . . rr_6tt6 1
. 8 . 1070 . 1 1 7 . HA H 10.427 11.210 3.597 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HA . . . . . . . . . rr_6tt6 1
. 8 . 1071 . 1 1 7 . HB2 H 8.044 12.026 4.295 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB2 . . . . . . . . . rr_6tt6 1
. 8 . 1072 . 1 1 7 . HB3 H 7.864 12.395 2.579 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB3 . . . . . . . . . rr_6tt6 1
. 8 . 1073 . 1 1 7 . HD2 H 9.056 15.520 4.322 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD2 . . . . . . . . . rr_6tt6 1
. 8 . 1074 . 1 1 7 . HD3 H 7.837 14.346 4.819 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD3 . . . . . . . . . rr_6tt6 1
. 8 . 1075 . 1 1 7 . HE2 H 6.941 14.273 2.543 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE2 . . . . . . . . . rr_6tt6 1
. 8 . 1076 . 1 1 7 . HE3 H 8.209 15.363 1.984 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE3 . . . . . . . . . rr_6tt6 1
. 8 . 1077 . 1 1 7 . HG2 H 9.875 13.796 2.648 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG2 . . . . . . . . . rr_6tt6 1
. 8 . 1078 . 1 1 7 . HG3 H 10.136 13.373 4.340 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG3 . . . . . . . . . rr_6tt6 1
. 8 . 1079 . 1 1 7 . HZ1 H 5.900 15.933 3.716 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ1 . . . . . . . . . rr_6tt6 1
. 8 . 1080 . 1 1 7 . HZ2 H 6.466 16.790 2.362 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ2 . . . . . . . . . rr_6tt6 1
. 8 . 1081 . 1 1 7 . HZ3 H 7.297 16.887 3.841 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ3 . . . . . . . . . rr_6tt6 1
. 8 . 1082 . 1 1 7 . N N 8.892 9.828 3.384 . . . 1.0 . . . . . . . . . . . . A . 7 DLY N . . . . . . . . . rr_6tt6 1
. 8 . 1083 . 1 1 7 . NZ N 6.748 16.265 3.215 . . . 1.0 . . . . . . . . . . . . A . 7 DLY NZ . . . . . . . . . rr_6tt6 1
. 8 . 1084 . 1 1 7 . O O 9.900 12.209 0.940 . . . 1.0 . . . . . . . . . . . . A . 7 DLY O . . . . . . . . . rr_6tt6 1
. 8 . 1085 . 1 1 8 ASP C C 9.441 8.882 -1.156 . . . 1.0 . . . . . . . . . . . . A . 8 ASP C . . . . . . . . . rr_6tt6 1
. 8 . 1086 . 1 1 8 ASP CA C 10.370 9.872 -0.460 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CA . . . . . . . . . rr_6tt6 1
. 8 . 1087 . 1 1 8 ASP CB C 11.822 9.425 -0.641 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CB . . . . . . . . . rr_6tt6 1
. 8 . 1088 . 1 1 8 ASP CG C 12.069 9.030 -2.093 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CG . . . . . . . . . rr_6tt6 1
. 8 . 1089 . 1 1 8 ASP H H 9.989 9.144 1.493 . . . 1.0 . . . . . . . . . . . . A . 8 ASP H . . . . . . . . . rr_6tt6 1
. 8 . 1090 . 1 1 8 ASP HA H 10.247 10.845 -0.910 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HA . . . . . . . . . rr_6tt6 1
. 8 . 1091 . 1 1 8 ASP HB2 H 12.482 10.237 -0.372 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB2 . . . . . . . . . rr_6tt6 1
. 8 . 1092 . 1 1 8 ASP HB3 H 12.018 8.577 -0.002 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB3 . . . . . . . . . rr_6tt6 1
. 8 . 1093 . 1 1 8 ASP N N 10.050 9.964 0.960 . . . 1.0 . . . . . . . . . . . . A . 8 ASP N . . . . . . . . . rr_6tt6 1
. 8 . 1094 . 1 1 8 ASP O O 9.158 9.013 -2.347 . . . 1.0 . . . . . . . . . . . . A . 8 ASP O . . . . . . . . . rr_6tt6 1
. 8 . 1095 . 1 1 8 ASP OD1 O 12.088 9.916 -2.932 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD1 . . . . . . . . . rr_6tt6 1
. 8 . 1096 . 1 1 8 ASP OD2 O 12.236 7.848 -2.344 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD2 . . . . . . . . . rr_6tt6 1
. 9 . 1097 . 1 1 1 TRP C C 5.722 8.071 -0.373 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_6tt6 1
. 9 . 1098 . 1 1 1 TRP CA C 6.074 9.446 0.186 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_6tt6 1
. 9 . 1099 . 1 1 1 TRP CB C 5.472 10.524 -0.718 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_6tt6 1
. 9 . 1100 . 1 1 1 TRP CD1 C 7.197 11.813 -2.045 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_6tt6 1
. 9 . 1101 . 1 1 1 TRP CD2 C 6.552 9.921 -3.076 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_6tt6 1
. 9 . 1102 . 1 1 1 TRP CE2 C 7.506 10.539 -3.919 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_6tt6 1
. 9 . 1103 . 1 1 1 TRP CE3 C 5.987 8.704 -3.497 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_6tt6 1
. 9 . 1104 . 1 1 1 TRP CG C 6.368 10.754 -1.894 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_6tt6 1
. 9 . 1105 . 1 1 1 TRP CH2 C 7.315 8.760 -5.537 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_6tt6 1
. 9 . 1106 . 1 1 1 TRP CZ2 C 7.885 9.970 -5.136 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_6tt6 1
. 9 . 1107 . 1 1 1 TRP CZ3 C 6.367 8.127 -4.720 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_6tt6 1
. 9 . 1108 . 1 1 1 TRP H1 H 8.107 8.871 0.024 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_6tt6 1
. 9 . 1109 . 1 1 1 TRP HA H 5.648 9.543 1.174 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_6tt6 1
. 9 . 1110 . 1 1 1 TRP HB2 H 4.501 10.203 -1.064 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_6tt6 1
. 9 . 1111 . 1 1 1 TRP HB3 H 5.368 11.443 -0.160 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_6tt6 1
. 9 . 1112 . 1 1 1 TRP HD1 H 7.310 12.627 -1.343 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_6tt6 1
. 9 . 1113 . 1 1 1 TRP HE1 H 8.524 12.328 -3.597 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_6tt6 1
. 9 . 1114 . 1 1 1 TRP HE3 H 5.258 8.207 -2.874 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_6tt6 1
. 9 . 1115 . 1 1 1 TRP HH2 H 7.603 8.311 -6.477 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_6tt6 1
. 9 . 1116 . 1 1 1 TRP HZ2 H 8.616 10.462 -5.762 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_6tt6 1
. 9 . 1117 . 1 1 1 TRP HZ3 H 5.928 7.192 -5.032 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_6tt6 1
. 9 . 1118 . 1 1 1 TRP N N 7.520 9.616 0.275 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_6tt6 1
. 9 . 1119 . 1 1 1 TRP NE1 N 7.868 11.690 -3.248 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_6tt6 1
. 9 . 1120 . 1 1 1 TRP O O 6.570 7.387 -0.948 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_6tt6 1
. 9 . 1121 . 1 1 2 DTR C C 3.858 5.384 0.447 . . . 1.0 . . . . . . . . . . . . A . 2 DTR C . . . . . . . . . rr_6tt6 1
. 9 . 1122 . 1 1 2 DTR CA C 4.005 6.381 -0.699 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CA . . . . . . . . . rr_6tt6 1
. 9 . 1123 . 1 1 2 DTR CB C 2.660 6.534 -1.417 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CB . . . . . . . . . rr_6tt6 1
. 9 . 1124 . 1 1 2 DTR CD1 C 2.830 8.622 -2.833 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD1 . . . . . . . . . rr_6tt6 1
. 9 . 1125 . 1 1 2 DTR CD2 C 1.692 8.964 -0.924 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD2 . . . . . . . . . rr_6tt6 1
. 9 . 1126 . 1 1 2 DTR CE2 C 1.710 10.200 -1.613 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE2 . . . . . . . . . rr_6tt6 1
. 9 . 1127 . 1 1 2 DTR CE3 C 1.031 8.906 0.317 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE3 . . . . . . . . . rr_6tt6 1
. 9 . 1128 . 1 1 2 DTR CG C 2.410 7.977 -1.720 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CG . . . . . . . . . rr_6tt6 1
. 9 . 1129 . 1 1 2 DTR CH2 C 0.446 11.263 0.146 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CH2 . . . . . . . . . rr_6tt6 1
. 9 . 1130 . 1 1 2 DTR CZ2 C 1.097 11.338 -1.088 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ2 . . . . . . . . . rr_6tt6 1
. 9 . 1131 . 1 1 2 DTR CZ3 C 0.413 10.050 0.847 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ3 . . . . . . . . . rr_6tt6 1
. 9 . 1132 . 1 1 2 DTR H H 3.833 8.264 0.261 . . . 1.0 . . . . . . . . . . . . A . 2 DTR H . . . . . . . . . rr_6tt6 1
. 9 . 1133 . 1 1 2 DTR HA H 4.731 5.999 -1.400 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HA . . . . . . . . . rr_6tt6 1
. 9 . 1134 . 1 1 2 DTR HB2 H 1.869 6.160 -0.783 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB2 . . . . . . . . . rr_6tt6 1
. 9 . 1135 . 1 1 2 DTR HB3 H 2.678 5.972 -2.338 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB3 . . . . . . . . . rr_6tt6 1
. 9 . 1136 . 1 1 2 DTR HD1 H 3.397 8.179 -3.639 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HD1 . . . . . . . . . rr_6tt6 1
. 9 . 1137 . 1 1 2 DTR HE1 H 2.593 10.621 -3.452 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE1 . . . . . . . . . rr_6tt6 1
. 9 . 1138 . 1 1 2 DTR HE3 H 1.001 7.976 0.866 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE3 . . . . . . . . . rr_6tt6 1
. 9 . 1139 . 1 1 2 DTR HH2 H -0.031 12.139 0.560 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HH2 . . . . . . . . . rr_6tt6 1
. 9 . 1140 . 1 1 2 DTR HZ2 H 1.125 12.270 -1.632 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ2 . . . . . . . . . rr_6tt6 1
. 9 . 1141 . 1 1 2 DTR HZ3 H -0.091 9.994 1.801 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ3 . . . . . . . . . rr_6tt6 1
. 9 . 1142 . 1 1 2 DTR N N 4.463 7.675 -0.203 . . . 1.0 . . . . . . . . . . . . A . 2 DTR N . . . . . . . . . rr_6tt6 1
. 9 . 1143 . 1 1 2 DTR NE1 N 2.417 9.940 -2.770 . . . 1.0 . . . . . . . . . . . . A . 2 DTR NE1 . . . . . . . . . rr_6tt6 1
. 9 . 1144 . 1 1 2 DTR O O 2.963 4.537 0.434 . . . 1.0 . . . . . . . . . . . . A . 2 DTR O . . . . . . . . . rr_6tt6 1
. 9 . 1145 . 1 1 3 VAL C C 4.838 5.372 3.884 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_6tt6 1
. 9 . 1146 . 1 1 3 VAL CA C 4.689 4.590 2.582 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_6tt6 1
. 9 . 1147 . 1 1 3 VAL CB C 5.807 3.554 2.479 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_6tt6 1
. 9 . 1148 . 1 1 3 VAL CG1 C 5.620 2.488 3.560 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_6tt6 1
. 9 . 1149 . 1 1 3 VAL CG2 C 5.762 2.892 1.099 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_6tt6 1
. 9 . 1150 . 1 1 3 VAL H H 5.428 6.183 1.396 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_6tt6 1
. 9 . 1151 . 1 1 3 VAL HA H 3.739 4.077 2.587 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_6tt6 1
. 9 . 1152 . 1 1 3 VAL HB H 6.763 4.040 2.615 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_6tt6 1
. 9 . 1153 . 1 1 3 VAL HG11 H 4.684 1.973 3.399 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_6tt6 1
. 9 . 1154 . 1 1 3 VAL HG12 H 5.608 2.959 4.531 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_6tt6 1
. 9 . 1155 . 1 1 3 VAL HG13 H 6.433 1.780 3.513 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_6tt6 1
. 9 . 1156 . 1 1 3 VAL HG21 H 4.788 2.455 0.942 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_6tt6 1
. 9 . 1157 . 1 1 3 VAL HG22 H 6.515 2.120 1.045 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_6tt6 1
. 9 . 1158 . 1 1 3 VAL HG23 H 5.952 3.634 0.337 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_6tt6 1
. 9 . 1159 . 1 1 3 VAL N N 4.737 5.489 1.437 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_6tt6 1
. 9 . 1160 . 1 1 3 VAL O O 5.897 5.352 4.512 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_6tt6 1
. 9 . 1161 . 1 1 4 DPR C C 4.970 7.857 5.566 . . . 1.0 . . . . . . . . . . . . A . 4 DPR C . . . . . . . . . rr_6tt6 1
. 9 . 1162 . 1 1 4 DPR CA C 3.820 6.859 5.553 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CA . . . . . . . . . rr_6tt6 1
. 9 . 1163 . 1 1 4 DPR CB C 2.465 7.581 5.563 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CB . . . . . . . . . rr_6tt6 1
. 9 . 1164 . 1 1 4 DPR CD C 2.510 6.147 3.613 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CD . . . . . . . . . rr_6tt6 1
. 9 . 1165 . 1 1 4 DPR CG C 1.903 7.423 4.187 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CG . . . . . . . . . rr_6tt6 1
. 9 . 1166 . 1 1 4 DPR HA H 3.885 6.206 6.409 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HA . . . . . . . . . rr_6tt6 1
. 9 . 1167 . 1 1 4 DPR HB2 H 2.603 8.628 5.785 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB2 . . . . . . . . . rr_6tt6 1
. 9 . 1168 . 1 1 4 DPR HB3 H 1.808 7.128 6.291 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB3 . . . . . . . . . rr_6tt6 1
. 9 . 1169 . 1 1 4 DPR HD2 H 2.654 6.239 2.548 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD2 . . . . . . . . . rr_6tt6 1
. 9 . 1170 . 1 1 4 DPR HD3 H 1.889 5.292 3.847 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD3 . . . . . . . . . rr_6tt6 1
. 9 . 1171 . 1 1 4 DPR HG2 H 2.182 8.266 3.575 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG2 . . . . . . . . . rr_6tt6 1
. 9 . 1172 . 1 1 4 DPR HG3 H 0.825 7.337 4.237 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG3 . . . . . . . . . rr_6tt6 1
. 9 . 1173 . 1 1 4 DPR N N 3.803 6.055 4.297 . . . 1.0 . . . . . . . . . . . . A . 4 DPR N . . . . . . . . . rr_6tt6 1
. 9 . 1174 . 1 1 4 DPR O O 5.728 7.935 6.533 . . . 1.0 . . . . . . . . . . . . A . 4 DPR O . . . . . . . . . rr_6tt6 1
. 9 . 1175 . 1 1 5 GLU C C 7.521 8.931 4.598 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_6tt6 1
. 9 . 1176 . 1 1 5 GLU CA C 6.168 9.599 4.379 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_6tt6 1
. 9 . 1177 . 1 1 5 GLU CB C 5.960 10.700 5.419 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_6tt6 1
. 9 . 1178 . 1 1 5 GLU CD C 4.433 12.544 6.146 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_6tt6 1
. 9 . 1179 . 1 1 5 GLU CG C 4.724 11.523 5.052 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_6tt6 1
. 9 . 1180 . 1 1 5 GLU H H 4.470 8.505 3.739 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_6tt6 1
. 9 . 1181 . 1 1 5 GLU HA H 6.147 10.039 3.394 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_6tt6 1
. 9 . 1182 . 1 1 5 GLU HB2 H 5.820 10.254 6.393 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_6tt6 1
. 9 . 1183 . 1 1 5 GLU HB3 H 6.826 11.345 5.440 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_6tt6 1
. 9 . 1184 . 1 1 5 GLU HG2 H 4.901 12.038 4.119 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_6tt6 1
. 9 . 1185 . 1 1 5 GLU HG3 H 3.875 10.865 4.943 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_6tt6 1
. 9 . 1186 . 1 1 5 GLU N N 5.099 8.614 4.483 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_6tt6 1
. 9 . 1187 . 1 1 5 GLU O O 8.384 9.464 5.296 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_6tt6 1
. 9 . 1188 . 1 1 5 GLU OE1 O 5.056 12.456 7.192 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_6tt6 1
. 9 . 1189 . 1 1 5 GLU OE2 O 3.592 13.400 5.923 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . rr_6tt6 1
. 9 . 1190 . 1 1 6 ALA C C 10.075 7.727 3.401 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6tt6 1
. 9 . 1191 . 1 1 6 ALA CA C 8.944 7.016 4.135 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6tt6 1
. 9 . 1192 . 1 1 6 ALA CB C 8.774 5.604 3.572 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6tt6 1
. 9 . 1193 . 1 1 6 ALA H H 6.969 7.379 3.459 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6tt6 1
. 9 . 1194 . 1 1 6 ALA HA H 9.196 6.944 5.182 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6tt6 1
. 9 . 1195 . 1 1 6 ALA HB1 H 8.323 4.969 4.320 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6tt6 1
. 9 . 1196 . 1 1 6 ALA HB2 H 9.741 5.207 3.297 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6tt6 1
. 9 . 1197 . 1 1 6 ALA HB3 H 8.139 5.639 2.699 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6tt6 1
. 9 . 1198 . 1 1 6 ALA N N 7.696 7.757 3.999 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6tt6 1
. 9 . 1199 . 1 1 6 ALA O O 10.372 7.416 2.246 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6tt6 1
. 9 . 1200 . 1 1 7 . C C 11.393 10.087 2.176 . . . 1.0 . . . . . . . . . . . . A . 7 DLY C . . . . . . . . . rr_6tt6 1
. 9 . 1201 . 1 1 7 . CA C 11.809 9.429 3.491 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CA . . . . . . . . . rr_6tt6 1
. 9 . 1202 . 1 1 7 . CB C 12.286 10.504 4.469 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CB . . . . . . . . . rr_6tt6 1
. 9 . 1203 . 1 1 7 . CD C 13.924 11.025 6.288 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CD . . . . . . . . . rr_6tt6 1
. 9 . 1204 . 1 1 7 . CE C 12.870 11.373 7.341 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CE . . . . . . . . . rr_6tt6 1
. 9 . 1205 . 1 1 7 . CG C 13.387 9.929 5.363 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CG . . . . . . . . . rr_6tt6 1
. 9 . 1206 . 1 1 7 . H H 10.425 8.877 4.998 . . . 1.0 . . . . . . . . . . . . A . 7 DLY H . . . . . . . . . rr_6tt6 1
. 9 . 1207 . 1 1 7 . HA H 12.627 8.753 3.298 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HA . . . . . . . . . rr_6tt6 1
. 9 . 1208 . 1 1 7 . HB2 H 11.456 10.825 5.082 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB2 . . . . . . . . . rr_6tt6 1
. 9 . 1209 . 1 1 7 . HB3 H 12.672 11.348 3.916 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB3 . . . . . . . . . rr_6tt6 1
. 9 . 1210 . 1 1 7 . HD2 H 14.153 11.905 5.707 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD2 . . . . . . . . . rr_6tt6 1
. 9 . 1211 . 1 1 7 . HD3 H 14.821 10.673 6.777 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD3 . . . . . . . . . rr_6tt6 1
. 9 . 1212 . 1 1 7 . HE2 H 12.591 10.480 7.881 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE2 . . . . . . . . . rr_6tt6 1
. 9 . 1213 . 1 1 7 . HE3 H 11.999 11.788 6.857 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE3 . . . . . . . . . rr_6tt6 1
. 9 . 1214 . 1 1 7 . HG2 H 14.190 9.554 4.748 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG2 . . . . . . . . . rr_6tt6 1
. 9 . 1215 . 1 1 7 . HG3 H 12.981 9.123 5.958 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG3 . . . . . . . . . rr_6tt6 1
. 9 . 1216 . 1 1 7 . HZ1 H 12.811 12.449 9.123 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ1 . . . . . . . . . rr_6tt6 1
. 9 . 1217 . 1 1 7 . HZ2 H 13.501 13.298 7.822 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ2 . . . . . . . . . rr_6tt6 1
. 9 . 1218 . 1 1 7 . HZ3 H 14.378 12.067 8.599 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ3 . . . . . . . . . rr_6tt6 1
. 9 . 1219 . 1 1 7 . N N 10.706 8.677 4.080 . . . 1.0 . . . . . . . . . . . . A . 7 DLY N . . . . . . . . . rr_6tt6 1
. 9 . 1220 . 1 1 7 . NZ N 13.433 12.372 8.293 . . . 1.0 . . . . . . . . . . . . A . 7 DLY NZ . . . . . . . . . rr_6tt6 1
. 9 . 1221 . 1 1 7 . O O 12.245 10.482 1.380 . . . 1.0 . . . . . . . . . . . . A . 7 DLY O . . . . . . . . . rr_6tt6 1
. 9 . 1222 . 1 1 8 ASP C C 8.055 10.764 0.684 . . . 1.0 . . . . . . . . . . . . A . 8 ASP C . . . . . . . . . rr_6tt6 1
. 9 . 1223 . 1 1 8 ASP CA C 9.581 10.827 0.730 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CA . . . . . . . . . rr_6tt6 1
. 9 . 1224 . 1 1 8 ASP CB C 10.168 10.124 -0.499 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CB . . . . . . . . . rr_6tt6 1
. 9 . 1225 . 1 1 8 ASP CG C 11.262 10.984 -1.124 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CG . . . . . . . . . rr_6tt6 1
. 9 . 1226 . 1 1 8 ASP H H 9.449 9.883 2.623 . . . 1.0 . . . . . . . . . . . . A . 8 ASP H . . . . . . . . . rr_6tt6 1
. 9 . 1227 . 1 1 8 ASP HA H 9.886 11.863 0.715 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HA . . . . . . . . . rr_6tt6 1
. 9 . 1228 . 1 1 8 ASP HB2 H 10.587 9.173 -0.202 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB2 . . . . . . . . . rr_6tt6 1
. 9 . 1229 . 1 1 8 ASP HB3 H 9.388 9.959 -1.227 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB3 . . . . . . . . . rr_6tt6 1
. 9 . 1230 . 1 1 8 ASP N N 10.085 10.209 1.953 . . . 1.0 . . . . . . . . . . . . A . 8 ASP N . . . . . . . . . rr_6tt6 1
. 9 . 1231 . 1 1 8 ASP O O 7.377 11.738 1.008 . . . 1.0 . . . . . . . . . . . . A . 8 ASP O . . . . . . . . . rr_6tt6 1
. 9 . 1232 . 1 1 8 ASP OD1 O 12.293 10.433 -1.476 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD1 . . . . . . . . . rr_6tt6 1
. 9 . 1233 . 1 1 8 ASP OD2 O 11.053 12.180 -1.246 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD2 . . . . . . . . . rr_6tt6 1
. 10 . 1234 . 1 1 1 TRP C C 5.601 8.488 -0.722 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_6tt6 1
. 10 . 1235 . 1 1 1 TRP CA C 6.132 9.726 -0.008 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_6tt6 1
. 10 . 1236 . 1 1 1 TRP CB C 5.529 10.974 -0.655 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_6tt6 1
. 10 . 1237 . 1 1 1 TRP CD1 C 5.274 13.081 0.722 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_6tt6 1
. 10 . 1238 . 1 1 1 TRP CD2 C 3.747 11.514 1.246 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_6tt6 1
. 10 . 1239 . 1 1 1 TRP CE2 C 3.493 12.626 2.083 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_6tt6 1
. 10 . 1240 . 1 1 1 TRP CE3 C 2.920 10.384 1.376 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_6tt6 1
. 10 . 1241 . 1 1 1 TRP CG C 4.886 11.827 0.393 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_6tt6 1
. 10 . 1242 . 1 1 1 TRP CH2 C 1.641 11.486 3.130 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_6tt6 1
. 10 . 1243 . 1 1 1 TRP CZ2 C 2.453 12.618 3.015 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_6tt6 1
. 10 . 1244 . 1 1 1 TRP CZ3 C 1.874 10.372 2.312 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_6tt6 1
. 10 . 1245 . 1 1 1 TRP H1 H 8.072 9.043 -0.518 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_6tt6 1
. 10 . 1246 . 1 1 1 TRP HA H 5.832 9.690 1.028 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_6tt6 1
. 10 . 1247 . 1 1 1 TRP HB2 H 6.308 11.535 -1.147 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_6tt6 1
. 10 . 1248 . 1 1 1 TRP HB3 H 4.787 10.675 -1.380 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_6tt6 1
. 10 . 1249 . 1 1 1 TRP HD1 H 6.095 13.622 0.276 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_6tt6 1
. 10 . 1250 . 1 1 1 TRP HE1 H 4.519 14.439 2.145 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_6tt6 1
. 10 . 1251 . 1 1 1 TRP HE3 H 3.091 9.519 0.751 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_6tt6 1
. 10 . 1252 . 1 1 1 TRP HH2 H 0.835 11.471 3.848 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_6tt6 1
. 10 . 1253 . 1 1 1 TRP HZ2 H 2.278 13.479 3.642 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_6tt6 1
. 10 . 1254 . 1 1 1 TRP HZ3 H 1.245 9.498 2.403 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_6tt6 1
. 10 . 1255 . 1 1 1 TRP N N 7.590 9.773 -0.078 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_6tt6 1
. 10 . 1256 . 1 1 1 TRP NE1 N 4.449 13.555 1.726 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_6tt6 1
. 10 . 1257 . 1 1 1 TRP O O 5.944 8.229 -1.876 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_6tt6 1
. 10 . 1258 . 1 1 2 DTR C C 3.914 5.493 0.484 . . . 1.0 . . . . . . . . . . . . A . 2 DTR C . . . . . . . . . rr_6tt6 1
. 10 . 1259 . 1 1 2 DTR CA C 4.189 6.518 -0.608 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CA . . . . . . . . . rr_6tt6 1
. 10 . 1260 . 1 1 2 DTR CB C 2.888 6.857 -1.341 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CB . . . . . . . . . rr_6tt6 1
. 10 . 1261 . 1 1 2 DTR CD1 C 3.250 6.800 -3.841 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD1 . . . . . . . . . rr_6tt6 1
. 10 . 1262 . 1 1 2 DTR CD2 C 2.495 4.840 -3.037 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CD2 . . . . . . . . . rr_6tt6 1
. 10 . 1263 . 1 1 2 DTR CE2 C 2.656 4.672 -4.433 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE2 . . . . . . . . . rr_6tt6 1
. 10 . 1264 . 1 1 2 DTR CE3 C 2.027 3.744 -2.289 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CE3 . . . . . . . . . rr_6tt6 1
. 10 . 1265 . 1 1 2 DTR CG C 2.884 6.200 -2.685 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CG . . . . . . . . . rr_6tt6 1
. 10 . 1266 . 1 1 2 DTR CH2 C 1.898 2.385 -4.306 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CH2 . . . . . . . . . rr_6tt6 1
. 10 . 1267 . 1 1 2 DTR CZ2 C 2.363 3.462 -5.064 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ2 . . . . . . . . . rr_6tt6 1
. 10 . 1268 . 1 1 2 DTR CZ3 C 1.729 2.524 -2.922 . . . 1.0 . . . . . . . . . . . . A . 2 DTR CZ3 . . . . . . . . . rr_6tt6 1
. 10 . 1269 . 1 1 2 DTR H H 4.524 7.982 0.886 . . . 1.0 . . . . . . . . . . . . A . 2 DTR H . . . . . . . . . rr_6tt6 1
. 10 . 1270 . 1 1 2 DTR HA H 4.890 6.099 -1.316 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HA . . . . . . . . . rr_6tt6 1
. 10 . 1271 . 1 1 2 DTR HB2 H 2.814 7.928 -1.465 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB2 . . . . . . . . . rr_6tt6 1
. 10 . 1272 . 1 1 2 DTR HB3 H 2.046 6.503 -0.765 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HB3 . . . . . . . . . rr_6tt6 1
. 10 . 1273 . 1 1 2 DTR HD1 H 3.594 7.820 -3.938 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HD1 . . . . . . . . . rr_6tt6 1
. 10 . 1274 . 1 1 2 DTR HE1 H 3.324 6.078 -5.818 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE1 . . . . . . . . . rr_6tt6 1
. 10 . 1275 . 1 1 2 DTR HE3 H 1.892 3.840 -1.222 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HE3 . . . . . . . . . rr_6tt6 1
. 10 . 1276 . 1 1 2 DTR HH2 H 1.667 1.445 -4.786 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HH2 . . . . . . . . . rr_6tt6 1
. 10 . 1277 . 1 1 2 DTR HZ2 H 2.494 3.360 -6.131 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ2 . . . . . . . . . rr_6tt6 1
. 10 . 1278 . 1 1 2 DTR HZ3 H 1.370 1.691 -2.338 . . . 1.0 . . . . . . . . . . . . A . 2 DTR HZ3 . . . . . . . . . rr_6tt6 1
. 10 . 1279 . 1 1 2 DTR N N 4.763 7.726 -0.029 . . . 1.0 . . . . . . . . . . . . A . 2 DTR N . . . . . . . . . rr_6tt6 1
. 10 . 1280 . 1 1 2 DTR NE1 N 3.119 5.894 -4.877 . . . 1.0 . . . . . . . . . . . . A . 2 DTR NE1 . . . . . . . . . rr_6tt6 1
. 10 . 1281 . 1 1 2 DTR O O 2.948 4.734 0.415 . . . 1.0 . . . . . . . . . . . . A . 2 DTR O . . . . . . . . . rr_6tt6 1
. 10 . 1282 . 1 1 3 VAL C C 4.775 5.267 3.941 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_6tt6 1
. 10 . 1283 . 1 1 3 VAL CA C 4.624 4.545 2.603 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_6tt6 1
. 10 . 1284 . 1 1 3 VAL CB C 5.681 3.444 2.500 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_6tt6 1
. 10 . 1285 . 1 1 3 VAL CG1 C 5.400 2.364 3.546 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_6tt6 1
. 10 . 1286 . 1 1 3 VAL CG2 C 5.635 2.823 1.102 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_6tt6 1
. 10 . 1287 . 1 1 3 VAL H H 5.526 6.111 1.494 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_6tt6 1
. 10 . 1288 . 1 1 3 VAL HA H 3.646 4.090 2.551 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_6tt6 1
. 10 . 1289 . 1 1 3 VAL HB H 6.660 3.868 2.676 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_6tt6 1
. 10 . 1290 . 1 1 3 VAL HG11 H 5.433 2.801 4.533 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_6tt6 1
. 10 . 1291 . 1 1 3 VAL HG12 H 6.145 1.586 3.470 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_6tt6 1
. 10 . 1292 . 1 1 3 VAL HG13 H 4.420 1.942 3.372 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_6tt6 1
. 10 . 1293 . 1 1 3 VAL HG21 H 4.614 2.576 0.852 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_6tt6 1
. 10 . 1294 . 1 1 3 VAL HG22 H 6.237 1.926 1.086 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_6tt6 1
. 10 . 1295 . 1 1 3 VAL HG23 H 6.021 3.529 0.381 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_6tt6 1
. 10 . 1296 . 1 1 3 VAL N N 4.775 5.480 1.495 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_6tt6 1
. 10 . 1297 . 1 1 3 VAL O O 5.831 5.206 4.571 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_6tt6 1
. 10 . 1298 . 1 1 4 DPR C C 4.926 7.685 5.731 . . . 1.0 . . . . . . . . . . . . A . 4 DPR C . . . . . . . . . rr_6tt6 1
. 10 . 1299 . 1 1 4 DPR CA C 3.772 6.691 5.674 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CA . . . . . . . . . rr_6tt6 1
. 10 . 1300 . 1 1 4 DPR CB C 2.420 7.417 5.723 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CB . . . . . . . . . rr_6tt6 1
. 10 . 1301 . 1 1 4 DPR CD C 2.456 6.087 3.701 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CD . . . . . . . . . rr_6tt6 1
. 10 . 1302 . 1 1 4 DPR CG C 1.859 7.337 4.341 . . . 1.0 . . . . . . . . . . . . A . 4 DPR CG . . . . . . . . . rr_6tt6 1
. 10 . 1303 . 1 1 4 DPR HA H 3.838 6.000 6.500 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HA . . . . . . . . . rr_6tt6 1
. 10 . 1304 . 1 1 4 DPR HB2 H 2.561 8.450 6.003 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB2 . . . . . . . . . rr_6tt6 1
. 10 . 1305 . 1 1 4 DPR HB3 H 1.760 6.926 6.425 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HB3 . . . . . . . . . rr_6tt6 1
. 10 . 1306 . 1 1 4 DPR HD2 H 2.605 6.234 2.643 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD2 . . . . . . . . . rr_6tt6 1
. 10 . 1307 . 1 1 4 DPR HD3 H 1.826 5.228 3.887 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HD3 . . . . . . . . . rr_6tt6 1
. 10 . 1308 . 1 1 4 DPR HG2 H 2.146 8.208 3.774 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG2 . . . . . . . . . rr_6tt6 1
. 10 . 1309 . 1 1 4 DPR HG3 H 0.780 7.257 4.384 . . . 1.0 . . . . . . . . . . . . A . 4 DPR HG3 . . . . . . . . . rr_6tt6 1
. 10 . 1310 . 1 1 4 DPR N N 3.747 5.946 4.382 . . . 1.0 . . . . . . . . . . . . A . 4 DPR N . . . . . . . . . rr_6tt6 1
. 10 . 1311 . 1 1 4 DPR O O 5.689 7.713 6.696 . . . 1.0 . . . . . . . . . . . . A . 4 DPR O . . . . . . . . . rr_6tt6 1
. 10 . 1312 . 1 1 5 GLU C C 7.474 8.812 4.819 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_6tt6 1
. 10 . 1313 . 1 1 5 GLU CA C 6.120 9.481 4.622 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_6tt6 1
. 10 . 1314 . 1 1 5 GLU CB C 5.914 10.546 5.700 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_6tt6 1
. 10 . 1315 . 1 1 5 GLU CD C 4.402 12.377 6.488 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_6tt6 1
. 10 . 1316 . 1 1 5 GLU CG C 4.674 11.378 5.368 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_6tt6 1
. 10 . 1317 . 1 1 5 GLU H H 4.417 8.423 3.941 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_6tt6 1
. 10 . 1318 . 1 1 5 GLU HA H 6.102 9.958 3.653 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_6tt6 1
. 10 . 1319 . 1 1 5 GLU HB2 H 5.780 10.066 6.659 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_6tt6 1
. 10 . 1320 . 1 1 5 GLU HB3 H 6.780 11.191 5.739 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_6tt6 1
. 10 . 1321 . 1 1 5 GLU HG2 H 4.838 11.911 4.444 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_6tt6 1
. 10 . 1322 . 1 1 5 GLU HG3 H 3.823 10.724 5.260 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_6tt6 1
. 10 . 1323 . 1 1 5 GLU N N 5.051 8.494 4.684 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_6tt6 1
. 10 . 1324 . 1 1 5 GLU O O 8.335 9.329 5.531 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_6tt6 1
. 10 . 1325 . 1 1 5 GLU OE1 O 5.051 12.276 7.516 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_6tt6 1
. 10 . 1326 . 1 1 5 GLU OE2 O 3.549 13.229 6.300 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . rr_6tt6 1
. 10 . 1327 . 1 1 6 ALA C C 10.018 7.642 3.535 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6tt6 1
. 10 . 1328 . 1 1 6 ALA CA C 8.911 6.924 4.299 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6tt6 1
. 10 . 1329 . 1 1 6 ALA CB C 8.742 5.508 3.746 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6tt6 1
. 10 . 1330 . 1 1 6 ALA H H 6.932 7.290 3.633 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6tt6 1
. 10 . 1331 . 1 1 6 ALA HA H 9.187 6.862 5.341 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6tt6 1
. 10 . 1332 . 1 1 6 ALA HB1 H 8.086 5.532 2.888 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6tt6 1
. 10 . 1333 . 1 1 6 ALA HB2 H 8.314 4.872 4.508 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6tt6 1
. 10 . 1334 . 1 1 6 ALA HB3 H 9.706 5.119 3.452 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6tt6 1
. 10 . 1335 . 1 1 6 ALA N N 7.656 7.656 4.185 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6tt6 1
. 10 . 1336 . 1 1 6 ALA O O 10.437 7.201 2.465 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6tt6 1
. 10 . 1337 . 1 1 7 . C C 10.969 10.480 2.419 . . . 1.0 . . . . . . . . . . . . A . 7 DLY C . . . . . . . . . rr_6tt6 1
. 10 . 1338 . 1 1 7 . CA C 11.546 9.531 3.466 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CA . . . . . . . . . rr_6tt6 1
. 10 . 1339 . 1 1 7 . CB C 12.293 10.338 4.528 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CB . . . . . . . . . rr_6tt6 1
. 10 . 1340 . 1 1 7 . CD C 13.697 10.191 6.590 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CD . . . . . . . . . rr_6tt6 1
. 10 . 1341 . 1 1 7 . CE C 14.323 9.238 7.609 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CE . . . . . . . . . rr_6tt6 1
. 10 . 1342 . 1 1 7 . CG C 12.976 9.383 5.509 . . . 1.0 . . . . . . . . . . . . A . 7 DLY CG . . . . . . . . . rr_6tt6 1
. 10 . 1343 . 1 1 7 . H H 10.113 9.053 4.949 . . . 1.0 . . . . . . . . . . . . A . 7 DLY H . . . . . . . . . rr_6tt6 1
. 10 . 1344 . 1 1 7 . HA H 12.240 8.859 2.986 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HA . . . . . . . . . rr_6tt6 1
. 10 . 1345 . 1 1 7 . HB2 H 11.593 10.962 5.064 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB2 . . . . . . . . . rr_6tt6 1
. 10 . 1346 . 1 1 7 . HB3 H 13.038 10.959 4.050 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HB3 . . . . . . . . . rr_6tt6 1
. 10 . 1347 . 1 1 7 . HD2 H 12.990 10.836 7.090 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD2 . . . . . . . . . rr_6tt6 1
. 10 . 1348 . 1 1 7 . HD3 H 14.472 10.791 6.134 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HD3 . . . . . . . . . rr_6tt6 1
. 10 . 1349 . 1 1 7 . HE2 H 13.554 8.605 8.028 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE2 . . . . . . . . . rr_6tt6 1
. 10 . 1350 . 1 1 7 . HE3 H 14.789 9.809 8.398 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HE3 . . . . . . . . . rr_6tt6 1
. 10 . 1351 . 1 1 7 . HG2 H 13.693 8.775 4.979 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG2 . . . . . . . . . rr_6tt6 1
. 10 . 1352 . 1 1 7 . HG3 H 12.232 8.748 5.969 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HG3 . . . . . . . . . rr_6tt6 1
. 10 . 1353 . 1 1 7 . HZ1 H 16.075 8.114 7.622 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ1 . . . . . . . . . rr_6tt6 1
. 10 . 1354 . 1 1 7 . HZ2 H 15.790 8.935 6.163 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ2 . . . . . . . . . rr_6tt6 1
. 10 . 1355 . 1 1 7 . HZ3 H 14.896 7.541 6.546 . . . 1.0 . . . . . . . . . . . . A . 7 DLY HZ3 . . . . . . . . . rr_6tt6 1
. 10 . 1356 . 1 1 7 . N N 10.486 8.753 4.095 . . . 1.0 . . . . . . . . . . . . A . 7 DLY N . . . . . . . . . rr_6tt6 1
. 10 . 1357 . 1 1 7 . NZ N 15.349 8.393 6.934 . . . 1.0 . . . . . . . . . . . . A . 7 DLY NZ . . . . . . . . . rr_6tt6 1
. 10 . 1358 . 1 1 7 . O O 11.062 11.700 2.559 . . . 1.0 . . . . . . . . . . . . A . 7 DLY O . . . . . . . . . rr_6tt6 1
. 10 . 1359 . 1 1 8 ASP C C 8.274 10.789 0.445 . . . 1.0 . . . . . . . . . . . . A . 8 ASP C . . . . . . . . . rr_6tt6 1
. 10 . 1360 . 1 1 8 ASP CA C 9.795 10.731 0.310 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CA . . . . . . . . . rr_6tt6 1
. 10 . 1361 . 1 1 8 ASP CB C 10.176 10.160 -1.058 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CB . . . . . . . . . rr_6tt6 1
. 10 . 1362 . 1 1 8 ASP CG C 11.645 10.446 -1.352 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CG . . . . . . . . . rr_6tt6 1
. 10 . 1363 . 1 1 8 ASP H H 10.334 8.940 1.309 . . . 1.0 . . . . . . . . . . . . A . 8 ASP H . . . . . . . . . rr_6tt6 1
. 10 . 1364 . 1 1 8 ASP HA H 10.188 11.734 0.388 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HA . . . . . . . . . rr_6tt6 1
. 10 . 1365 . 1 1 8 ASP HB2 H 10.011 9.093 -1.060 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB2 . . . . . . . . . rr_6tt6 1
. 10 . 1366 . 1 1 8 ASP HB3 H 9.564 10.618 -1.821 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB3 . . . . . . . . . rr_6tt6 1
. 10 . 1367 . 1 1 8 ASP N N 10.377 9.917 1.371 . . . 1.0 . . . . . . . . . . . . A . 8 ASP N . . . . . . . . . rr_6tt6 1
. 10 . 1368 . 1 1 8 ASP O O 7.734 11.736 1.013 . . . 1.0 . . . . . . . . . . . . A . 8 ASP O . . . . . . . . . rr_6tt6 1
. 10 . 1369 . 1 1 8 ASP OD1 O 12.229 11.241 -0.634 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD1 . . . . . . . . . rr_6tt6 1
. 10 . 1370 . 1 1 8 ASP OD2 O 12.165 9.864 -2.290 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD2 . . . . . . . . . rr_6tt6 1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_framecode global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID rr_6tt6
_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 6tt6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6tt6 1
1 6tt6.mr . . XPLOR/CNS 2 distance NOE simple 20 rr_6tt6 1
1 6tt6.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 2 rr_6tt6 1
1 6tt6.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6tt6 1
stop_
save_
save_constraint_statistics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Sf_framecode constraint_statistics
_Constraint_stat_list.Entry_ID rr_6tt6
_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 "From CCPN project: '6tt6'" . . . . distance "general distance" . 11 rr_6tt6 1
2 "From CCPN project: '6tt6'" . . . . distance "hydrogen bond" . 2 rr_6tt6 1
stop_
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 6tt6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6tt6 1
1 6tt6.mr . . XPLOR/CNS 2 distance NOE simple 20 rr_6tt6 1
1 6tt6.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 2 rr_6tt6 1
1 6tt6.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6tt6 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_6tt6
_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 2
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_6tt6 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 4 4 DPR HA H . . . 1 1 5 5 GLU H H . . . . . 2.5 1.8 4.5 . . . . . A . 4 DPR HA . . A . 5 GLU H . . . 4 . HA . . . . . 5 . HN . . rr_6tt6 1
2 1 . . 1 1 5 5 GLU HA H . . . 1 1 6 6 ALA H H . . . . . 3.0 1.8 5.0 . . . . . A . 5 GLU HA . . A . 6 ALA H . . . 5 . HA . . . . . 6 . HN . . rr_6tt6 1
3 1 . . 1 1 1 1 TRP HA H . . . 1 1 3 3 VAL H H . . . . . 2.5 1.8 4.5 . . . . . A . 1 TRP HA . . A . 3 VAL H . . . 1 . HA . . . . . 3 . HN . . rr_6tt6 1
4 1 . . 1 1 1 1 TRP HA H . . . 1 1 2 2 DTR HD1 H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HA . . A . 2 DTR HD1 . . . 1 . HA . . . . . 2 . HD1 . . rr_6tt6 1
5 1 . . 1 1 3 3 VAL H H . . . 1 1 1 1 TRP HE3 H . . . . . 4.0 1.8 6.0 . . . . . A . 3 VAL H . . A . 1 TRP HE3 . . . 3 . HN . . . . . 1 . HE3 . . rr_6tt6 1
6 1 . . 1 1 1 1 TRP HA H . . . 1 1 6 6 ALA MB H . . . . . 3.0 1.8 5.0 . . . . . A . 1 TRP HA . . A . 6 ALA MB . . . 1 . HA . . . . . 6 . HB+ . . rr_6tt6 1
7 1 OR . 1 1 3 3 VAL H H . . . 1 1 1 1 TRP HB2 H . . . . . 3.0 1.8 5.0 . . . . . A . 3 VAL H . . A . 1 TRP HB2 . . . 3 . HN . . . . . 1 . HB+ . . rr_6tt6 1
7 2 OR . 1 1 3 3 VAL H H . . . 1 1 1 1 TRP HB3 H . . . . . 3.0 1.8 5.0 . . . . . A . 3 VAL H . . A . 1 TRP HB3 . . . 3 . HN . . . . . 1 . HB+ . . rr_6tt6 1
8 1 OR . 1 1 1 1 TRP HA H . . . 1 1 3 3 VAL MG1 H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HA . . A . 3 VAL MG1 . . . 1 . HA . . . . . 3 . HG++ . . rr_6tt6 1
8 2 OR . 1 1 1 1 TRP HA H . . . 1 1 3 3 VAL MG2 H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HA . . A . 3 VAL MG2 . . . 1 . HA . . . . . 3 . HG++ . . rr_6tt6 1
9 1 . . 1 1 6 6 ALA MB H . . . 1 1 2 2 DTR HA H . . . . . 3.0 1.8 5.0 . . . . . A . 6 ALA MB . . A . 2 DTR HA . . . 6 . HB+ . . . . . 2 . HA . . rr_6tt6 1
10 1 OR . 1 1 4 4 DPR HA H . . . 1 1 3 3 VAL MG1 H . . . . . 4.0 1.8 6.0 . . . . . A . 4 DPR HA . . A . 3 VAL MG1 . . . 4 . HA . . . . . 3 . HG++ . . rr_6tt6 1
10 2 OR . 1 1 4 4 DPR HA H . . . 1 1 3 3 VAL MG2 H . . . . . 4.0 1.8 6.0 . . . . . A . 4 DPR HA . . A . 3 VAL MG2 . . . 4 . HA . . . . . 3 . HG++ . . rr_6tt6 1
11 1 OR . 1 1 6 6 ALA HA H . . . 1 1 5 5 GLU HB2 H . . . . . 3.0 1.8 5.0 . . . . . A . 6 ALA HA . . A . 5 GLU HB2 . . . 6 . HA . . . . . 5 . HB+ . . rr_6tt6 1
11 2 OR . 1 1 6 6 ALA HA H . . . 1 1 5 5 GLU HB3 H . . . . . 3.0 1.8 5.0 . . . . . A . 6 ALA HA . . A . 5 GLU HB3 . . . 6 . HA . . . . . 5 . HB+ . . rr_6tt6 1
stop_
loop_
_Gen_dist_constraint_parse_err.ID
_Gen_dist_constraint_parse_err.Content
_Gen_dist_constraint_parse_err.Begin_line
_Gen_dist_constraint_parse_err.Begin_column
_Gen_dist_constraint_parse_err.End_line
_Gen_dist_constraint_parse_err.End_column
_Gen_dist_constraint_parse_err.Entry_ID
_Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID
1 "# Restraints file 1: noes.tbl" 1 1 1 29 rr_6tt6 1
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 2 1 1 "Not handling restraint 1, item 1, resonance(s) ' .2.HN' (nmrStar names) not linked" rr_6tt6 1
2 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_6tt6 1
3 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .7.HA' (nmrStar names) not linked" rr_6tt6 1
4 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" rr_6tt6 1
5 2 13 1 "Not handling restraint 13, item 1, resonance(s) ' .2.HB+' (nmrStar names) not linked" rr_6tt6 1
6 2 15 1 "Not handling restraint 15, item 1, resonance(s) ' .4.HD+' (nmrStar names) not linked" rr_6tt6 1
7 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .7.HB+' (nmrStar names) not linked" rr_6tt6 1
8 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .7.HB+' (nmrStar names) not linked" rr_6tt6 1
9 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .4.HG+' (nmrStar names) not linked" rr_6tt6 1
10 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .4.HG+' (nmrStar names) not linked" rr_6tt6 1
11 2 20 1 "Not handling restraint 20, item 1, resonance(s) ' .7.HA' (nmrStar names) not linked" rr_6tt6 1
12 2 20 1 "Not handling restraint 20, item 1, resonance(s) ' .7.HA' (nmrStar names) not linked" rr_6tt6 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_6tt6
_Gen_dist_constraint_list.ID 2
_Gen_dist_constraint_list.Constraint_type "hydrogen bond"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 3
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_6tt6 2
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 6 6 ALA H H . . . 1 1 3 3 VAL O O . . . . . 2.3 1.5 2.5 . . . . . A . 6 ALA H . . A . 3 VAL O . . . 6 . HN . . . . . 3 . O . . rr_6tt6 2
2 1 . . 1 1 3 3 VAL O O . . . 1 1 6 6 ALA N N . . . . . 3.3 2.5 3.5 . . . . . A . 3 VAL O . . A . 6 ALA N . . . 3 . O . . . . . 6 . N . . rr_6tt6 2
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_6tt6
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_6tt6 1
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_6tt6 1
2 1 . . . rr_6tt6 1
3 1 . . . rr_6tt6 1
4 1 . . . rr_6tt6 1
5 1 . . . rr_6tt6 1
6 1 . . . rr_6tt6 1
7 1 2 . OR rr_6tt6 1
7 2 . 3 . rr_6tt6 1
7 3 . . . rr_6tt6 1
8 1 2 . OR rr_6tt6 1
8 2 . 3 . rr_6tt6 1
8 3 . . . rr_6tt6 1
9 1 . . . rr_6tt6 1
10 1 2 . OR rr_6tt6 1
10 2 . 3 . rr_6tt6 1
10 3 . . . rr_6tt6 1
11 1 2 . OR rr_6tt6 1
11 2 . 3 . rr_6tt6 1
11 3 . . . rr_6tt6 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 4 4 DPR HA H . . . . 4 . HA rr_6tt6 1
1 1 . 2 . 1 1 5 5 GLU H H . . . . 5 . HN rr_6tt6 1
2 1 . 1 . 1 1 5 5 GLU HA H . . . . 5 . HA rr_6tt6 1
2 1 . 2 . 1 1 6 6 ALA H H . . . . 6 . HN rr_6tt6 1
3 1 . 1 . 1 1 1 1 TRP HA H . . . . 1 . HA rr_6tt6 1
3 1 . 2 . 1 1 3 3 VAL H H . . . . 3 . HN rr_6tt6 1
4 1 . 1 . 1 1 1 1 TRP HA H . . . . 1 . HA rr_6tt6 1
4 1 . 2 . 1 1 2 2 DTR HD1 H . . . . 2 . HD1 rr_6tt6 1
5 1 . 1 . 1 1 1 1 TRP HE3 H . . . . 1 . HE3 rr_6tt6 1
5 1 . 2 . 1 1 3 3 VAL H H . . . . 3 . HN rr_6tt6 1
6 1 . 1 . 1 1 1 1 TRP HA H . . . . 1 . HA rr_6tt6 1
6 1 . 2 . 1 1 6 6 ALA MB H . . . . 6 . HB+ rr_6tt6 1
7 2 . 1 . 1 1 3 3 VAL H H . . . . 3 . HN rr_6tt6 1
7 2 . 2 . 1 1 1 1 TRP HB2 H . . . . 1 . HB+ rr_6tt6 1
7 3 . 1 . 1 1 3 3 VAL H H . . . . 3 . HN rr_6tt6 1
7 3 . 2 . 1 1 1 1 TRP HB3 H . . . . 1 . HB+ rr_6tt6 1
8 2 . 1 . 1 1 1 1 TRP HA H . . . . 1 . HA rr_6tt6 1
8 2 . 2 . 1 1 3 3 VAL MG1 H . . . . 3 . HG++ rr_6tt6 1
8 3 . 1 . 1 1 1 1 TRP HA H . . . . 1 . HA rr_6tt6 1
8 3 . 2 . 1 1 3 3 VAL MG2 H . . . . 3 . HG++ rr_6tt6 1
9 1 . 1 . 1 1 2 2 DTR HA H . . . . 2 . HA rr_6tt6 1
9 1 . 2 . 1 1 6 6 ALA MB H . . . . 6 . HB+ rr_6tt6 1
10 2 . 1 . 1 1 4 4 DPR HA H . . . . 4 . HA rr_6tt6 1
10 2 . 2 . 1 1 3 3 VAL MG1 H . . . . 3 . HG++ rr_6tt6 1
10 3 . 1 . 1 1 4 4 DPR HA H . . . . 4 . HA rr_6tt6 1
10 3 . 2 . 1 1 3 3 VAL MG2 H . . . . 3 . HG++ rr_6tt6 1
11 2 . 1 . 1 1 6 6 ALA HA H . . . . 6 . HA rr_6tt6 1
11 2 . 2 . 1 1 5 5 GLU HB2 H . . . . 5 . HB+ rr_6tt6 1
11 3 . 1 . 1 1 6 6 ALA HA H . . . . 6 . HA rr_6tt6 1
11 3 . 2 . 1 1 5 5 GLU HB3 H . . . . 5 . HB+ rr_6tt6 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 2.5 1.8 4.5 rr_6tt6 1
2 1 . . . . . . 3.0 1.8 5.0 rr_6tt6 1
3 1 . . . . . . 2.5 1.8 4.5 rr_6tt6 1
4 1 . . . . . . 4.0 1.8 6.0 rr_6tt6 1
5 1 . . . . . . 4.0 1.8 6.0 rr_6tt6 1
6 1 . . . . . . 3.0 1.8 5.0 rr_6tt6 1
7 2 . . . . . . 3.0 1.8 5.0 rr_6tt6 1
7 3 . . . . . . 3.0 1.8 5.0 rr_6tt6 1
8 2 . . . . . . 4.0 1.8 6.0 rr_6tt6 1
8 3 . . . . . . 4.0 1.8 6.0 rr_6tt6 1
9 1 . . . . . . 3.0 1.8 5.0 rr_6tt6 1
10 2 . . . . . . 4.0 1.8 6.0 rr_6tt6 1
10 3 . . . . . . 4.0 1.8 6.0 rr_6tt6 1
11 2 . . . . . . 3.0 1.8 5.0 rr_6tt6 1
11 3 . . . . . . 3.0 1.8 5.0 rr_6tt6 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 1: noes.tbl" 1 1 1 29 rr_6tt6 1
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 2 1 1 "Not handling restraint 1, item 1, resonance(s) ' .2.HN' (nmrStar names) not linked" rr_6tt6 1
2 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_6tt6 1
3 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .7.HA' (nmrStar names) not linked" rr_6tt6 1
4 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" rr_6tt6 1
5 2 13 1 "Not handling restraint 13, item 1, resonance(s) ' .2.HB+' (nmrStar names) not linked" rr_6tt6 1
6 2 15 1 "Not handling restraint 15, item 1, resonance(s) ' .4.HD+' (nmrStar names) not linked" rr_6tt6 1
7 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .7.HB+' (nmrStar names) not linked" rr_6tt6 1
8 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .7.HB+' (nmrStar names) not linked" rr_6tt6 1
9 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .4.HG+' (nmrStar names) not linked" rr_6tt6 1
10 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .4.HG+' (nmrStar names) not linked" rr_6tt6 1
11 2 20 1 "Not handling restraint 20, item 1, resonance(s) ' .7.HA' (nmrStar names) not linked" rr_6tt6 1
12 2 20 1 "Not handling restraint 20, item 1, resonance(s) ' .7.HA' (nmrStar names) not linked" rr_6tt6 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_6tt6
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_6tt6 2
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_6tt6 2
2 1 . . . rr_6tt6 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 3 3 VAL O O . . . . 3 . O rr_6tt6 2
1 1 . 2 . 1 1 6 6 ALA H H . . . . 6 . HN rr_6tt6 2
2 1 . 1 . 1 1 3 3 VAL O O . . . . 3 . O rr_6tt6 2
2 1 . 2 . 1 1 6 6 ALA N N . . . . 6 . N rr_6tt6 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 2.3 1.5 2.5 rr_6tt6 2
2 1 . . . . . . 3.3 2.5 3.5 rr_6tt6 2
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_6tt6
_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-DEC-19 6TT6 *TITLE SOLUTION STRUCTURE OF PD-I6 PEPTIDE INHIBITOR OF THE HUMAN PD-1 *TITLE 2 EXTRACELLULAR DOMAIN *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PD-I6 PEPTIDE; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; *SOURCE 4 ORGANISM_TAXID: 32630 *KEYWDS IMMUNOTHERAPY, HETEROCHIRAL PEPTIDE, COMPUTATIONAL DESIGN, DE NOVO *KEYWDS 2 PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR S.GUARDIOLA,M.VARESE,J.GARCIA,E.GIRALT *REVDAT 1 13-JAN-21 6TT6 0"
save_
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