Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
653667 | 6v4i RC | 30692 | cing | 3-converted-DOCR | STAR | entry | full | 8 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_6v4i
# This DOCR archive file contains, for PDB entry <6v4i>:
#
# - 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_6v4i
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 6v4i"
_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 6v4i"
_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 6v4i "Master copy" rr_6v4i
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_6v4i
_Assembly.ID 1
_Assembly.Name 6v4i
_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 837.088
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 "DanD peptide" 1 $DanD_peptide A . no . . . . . . rr_6v4i 1
stop_
save_
save_DanD_peptide
_Entity.Sf_category entity
_Entity.Sf_framecode DanD_peptide
_Entity.Entry_ID rr_6v4i
_Entity.ID 1
_Entity.Name DanD_peptide
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code GXXPIPX
_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 7
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 837.088
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 . GLY . rr_6v4i 1
2 . . . rr_6v4i 1
3 . . . rr_6v4i 1
4 . PRO . rr_6v4i 1
5 . ILE . rr_6v4i 1
6 . PRO . rr_6v4i 1
7 . . . rr_6v4i 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
. GLY 1 1 rr_6v4i 1
. . 2 2 rr_6v4i 1
. . 3 3 rr_6v4i 1
. PRO 4 4 rr_6v4i 1
. ILE 5 5 rr_6v4i 1
. PRO 6 6 rr_6v4i 1
. . 7 7 rr_6v4i 1
stop_
save_
save_chem_comp_TBG
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_TBG
_Chem_comp.Entry_ID rr_6v4i
_Chem_comp.ID 1
_Chem_comp.Name Tbg
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C6 H11 N O"
_Chem_comp.Formula_weight 113.159
save_
save_chem_comp_MEA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_MEA
_Chem_comp.Entry_ID rr_6v4i
_Chem_comp.ID 2
_Chem_comp.Name Mea
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C10 H11 N O"
_Chem_comp.Formula_weight 161.203
save_
save_chem_comp_ITZ
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ITZ
_Chem_comp.Entry_ID rr_6v4i
_Chem_comp.ID 3
_Chem_comp.Name Itz
_Chem_comp.Type "L-peptide COOH carboxy terminus"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C9 H12 N2 O S"
_Chem_comp.Formula_weight 196.2666
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_6v4i
_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_6v4i
_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_6v4i 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_6v4i 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 2 . C C -31.103 -32.690 31.330 . . . 1.0 . . . . . . . . . . . . A . 1 TBG C . . . . . . . . . rr_6v4i 1
. 1 . 2 . 1 1 2 . CA C -32.112 -31.920 30.469 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CA . . . . . . . . . rr_6v4i 1
. 1 . 3 . 1 1 2 . CB C -32.592 -32.808 29.300 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CB . . . . . . . . . rr_6v4i 1
. 1 . 4 . 1 1 2 . CG1 C -33.271 -34.055 29.849 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG1 . . . . . . . . . rr_6v4i 1
. 1 . 5 . 1 1 2 . CG2 C -31.402 -33.216 28.448 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG2 . . . . . . . . . rr_6v4i 1
. 1 . 6 . 1 1 2 . CG3 C -33.572 -32.014 28.445 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG3 . . . . . . . . . rr_6v4i 1
. 1 . 7 . 1 1 2 . H H -30.525 -30.679 29.830 . . . 1.0 . . . . . . . . . . . . A . 1 TBG H . . . . . . . . . rr_6v4i 1
. 1 . 8 . 1 1 2 . HA H -32.963 -31.643 31.069 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HA . . . . . . . . . rr_6v4i 1
. 1 . 9 . 1 1 2 . HG11 H -34.032 -33.769 30.560 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG11 . . . . . . . . . rr_6v4i 1
. 1 . 10 . 1 1 2 . HG12 H -32.537 -34.679 30.338 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG12 . . . . . . . . . rr_6v4i 1
. 1 . 11 . 1 1 2 . HG13 H -33.725 -34.604 29.037 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG13 . . . . . . . . . rr_6v4i 1
. 1 . 12 . 1 1 2 . HG21 H -30.904 -34.058 28.905 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG21 . . . . . . . . . rr_6v4i 1
. 1 . 13 . 1 1 2 . HG22 H -30.712 -32.387 28.373 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG22 . . . . . . . . . rr_6v4i 1
. 1 . 14 . 1 1 2 . HG23 H -31.743 -33.491 27.461 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG23 . . . . . . . . . rr_6v4i 1
. 1 . 15 . 1 1 2 . HG31 H -34.100 -32.686 27.785 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG31 . . . . . . . . . rr_6v4i 1
. 1 . 16 . 1 1 2 . HG32 H -33.031 -31.286 27.859 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG32 . . . . . . . . . rr_6v4i 1
. 1 . 17 . 1 1 2 . HG33 H -34.279 -31.507 29.085 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG33 . . . . . . . . . rr_6v4i 1
. 1 . 18 . 1 1 2 . N N -31.495 -30.697 29.977 . . . 1.0 . . . . . . . . . . . . A . 1 TBG N . . . . . . . . . rr_6v4i 1
. 1 . 19 . 1 1 2 . O O -30.012 -32.987 30.855 . . . 1.0 . . . . . . . . . . . . A . 1 TBG O . . . . . . . . . rr_6v4i 1
. 1 . 20 . 1 1 3 . C C -30.028 -35.016 32.792 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C . . . . . . . . . rr_6v4i 1
. 1 . 21 . 1 1 3 . C1 C -32.868 -33.398 32.727 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C1 . . . . . . . . . rr_6v4i 1
. 1 . 22 . 1 1 3 . CA C -30.436 -33.688 33.431 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CA . . . . . . . . . rr_6v4i 1
. 1 . 23 . 1 1 3 . CB C -30.956 -33.924 34.858 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CB . . . . . . . . . rr_6v4i 1
. 1 . 24 . 1 1 3 . CD1 C -30.012 -32.015 36.183 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD1 . . . . . . . . . rr_6v4i 1
. 1 . 25 . 1 1 3 . CD2 C -29.242 -34.219 36.670 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD2 . . . . . . . . . rr_6v4i 1
. 1 . 26 . 1 1 3 . CE1 C -29.184 -31.505 37.165 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE1 . . . . . . . . . rr_6v4i 1
. 1 . 27 . 1 1 3 . CE2 C -28.411 -33.715 37.653 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE2 . . . . . . . . . rr_6v4i 1
. 1 . 28 . 1 1 3 . CG C -30.051 -33.375 35.924 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CG . . . . . . . . . rr_6v4i 1
. 1 . 29 . 1 1 3 . CZ C -28.383 -32.356 37.901 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CZ . . . . . . . . . rr_6v4i 1
. 1 . 30 . 1 1 3 . HA H -29.563 -33.055 33.484 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HA . . . . . . . . . rr_6v4i 1
. 1 . 31 . 1 1 3 . HB1 H -31.064 -34.985 35.026 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB1 . . . . . . . . . rr_6v4i 1
. 1 . 32 . 1 1 3 . HB2 H -31.916 -33.448 34.970 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB2 . . . . . . . . . rr_6v4i 1
. 1 . 33 . 1 1 3 . HC1 H -33.127 -33.496 33.769 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC1 . . . . . . . . . rr_6v4i 1
. 1 . 34 . 1 1 3 . HC2 H -33.018 -34.346 32.234 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC2 . . . . . . . . . rr_6v4i 1
. 1 . 35 . 1 1 3 . HC3 H -33.502 -32.653 32.275 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC3 . . . . . . . . . rr_6v4i 1
. 1 . 36 . 1 1 3 . HD1 H -30.639 -31.348 35.609 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD1 . . . . . . . . . rr_6v4i 1
. 1 . 37 . 1 1 3 . HD2 H -29.264 -35.281 36.476 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD2 . . . . . . . . . rr_6v4i 1
. 1 . 38 . 1 1 3 . HE1 H -29.163 -30.442 37.357 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE1 . . . . . . . . . rr_6v4i 1
. 1 . 39 . 1 1 3 . HE2 H -27.785 -34.382 38.226 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE2 . . . . . . . . . rr_6v4i 1
. 1 . 40 . 1 1 3 . HZ H -27.734 -31.960 38.669 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HZ . . . . . . . . . rr_6v4i 1
. 1 . 41 . 1 1 3 . N N -31.428 -32.990 32.601 . . . 1.0 . . . . . . . . . . . . A . 2 MEA N . . . . . . . . . rr_6v4i 1
. 1 . 42 . 1 1 3 . O O -30.858 -35.709 32.204 . . . 1.0 . . . . . . . . . . . . A . 2 MEA O . . . . . . . . . rr_6v4i 1
. 1 . 43 . 1 1 4 PRO C C -27.048 -33.560 32.676 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6v4i 1
. 1 . 44 . 1 1 4 PRO CA C -27.704 -34.610 33.576 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6v4i 1
. 1 . 45 . 1 1 4 PRO CB C -26.671 -35.672 33.991 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6v4i 1
. 1 . 46 . 1 1 4 PRO CD C -28.170 -36.622 32.347 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6v4i 1
. 1 . 47 . 1 1 4 PRO CG C -27.106 -36.962 33.354 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6v4i 1
. 1 . 48 . 1 1 4 PRO HA H -28.097 -34.127 34.458 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6v4i 1
. 1 . 49 . 1 1 4 PRO HB2 H -25.693 -35.376 33.642 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6v4i 1
. 1 . 50 . 1 1 4 PRO HB3 H -26.658 -35.754 35.068 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6v4i 1
. 1 . 51 . 1 1 4 PRO HD2 H -27.733 -36.452 31.374 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6v4i 1
. 1 . 52 . 1 1 4 PRO HD3 H -28.915 -37.402 32.302 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6v4i 1
. 1 . 53 . 1 1 4 PRO HG2 H -26.265 -37.425 32.861 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6v4i 1
. 1 . 54 . 1 1 4 PRO HG3 H -27.505 -37.623 34.109 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6v4i 1
. 1 . 55 . 1 1 4 PRO N N -28.735 -35.390 32.891 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6v4i 1
. 1 . 56 . 1 1 4 PRO O O -26.008 -33.000 33.023 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6v4i 1
. 1 . 57 . 1 1 5 ILE C C -27.489 -30.886 31.029 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6v4i 1
. 1 . 58 . 1 1 5 ILE CA C -27.126 -32.310 30.586 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6v4i 1
. 1 . 59 . 1 1 5 ILE CB C -27.652 -32.573 29.152 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6v4i 1
. 1 . 60 . 1 1 5 ILE CD1 C -25.328 -33.144 28.291 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6v4i 1
. 1 . 61 . 1 1 5 ILE CG1 C -26.763 -33.599 28.448 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6v4i 1
. 1 . 62 . 1 1 5 ILE CG2 C -27.722 -31.287 28.338 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6v4i 1
. 1 . 63 . 1 1 5 ILE H H -28.484 -33.769 31.300 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6v4i 1
. 1 . 64 . 1 1 5 ILE HA H -26.051 -32.412 30.575 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6v4i 1
. 1 . 65 . 1 1 5 ILE HB H -28.650 -32.973 29.227 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6v4i 1
. 1 . 66 . 1 1 5 ILE HD11 H -24.892 -33.619 27.425 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6v4i 1
. 1 . 67 . 1 1 5 ILE HD12 H -24.766 -33.417 29.172 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6v4i 1
. 1 . 68 . 1 1 5 ILE HD13 H -25.302 -32.072 28.165 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6v4i 1
. 1 . 69 . 1 1 5 ILE HG12 H -26.759 -34.516 29.018 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6v4i 1
. 1 . 70 . 1 1 5 ILE HG13 H -27.159 -33.793 27.462 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6v4i 1
. 1 . 71 . 1 1 5 ILE HG21 H -27.908 -31.527 27.302 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6v4i 1
. 1 . 72 . 1 1 5 ILE HG22 H -26.786 -30.755 28.423 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6v4i 1
. 1 . 73 . 1 1 5 ILE HG23 H -28.524 -30.667 28.714 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6v4i 1
. 1 . 74 . 1 1 5 ILE N N -27.657 -33.294 31.525 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6v4i 1
. 1 . 75 . 1 1 5 ILE O O -28.666 -30.560 31.185 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6v4i 1
. 1 . 76 . 1 1 6 PRO C C -27.580 -27.837 30.725 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . rr_6v4i 1
. 1 . 77 . 1 1 6 PRO CA C -26.698 -28.633 31.681 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . rr_6v4i 1
. 1 . 78 . 1 1 6 PRO CB C -25.288 -28.033 31.720 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . rr_6v4i 1
. 1 . 79 . 1 1 6 PRO CD C -25.043 -30.324 31.095 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . rr_6v4i 1
. 1 . 80 . 1 1 6 PRO CG C -24.375 -29.203 31.838 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . rr_6v4i 1
. 1 . 81 . 1 1 6 PRO HA H -27.129 -28.598 32.667 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . rr_6v4i 1
. 1 . 82 . 1 1 6 PRO HB2 H -25.106 -27.479 30.811 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . rr_6v4i 1
. 1 . 83 . 1 1 6 PRO HB3 H -25.198 -27.376 32.572 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . rr_6v4i 1
. 1 . 84 . 1 1 6 PRO HD2 H -24.752 -30.314 30.054 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . rr_6v4i 1
. 1 . 85 . 1 1 6 PRO HD3 H -24.800 -31.274 31.548 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . rr_6v4i 1
. 1 . 86 . 1 1 6 PRO HG2 H -23.421 -28.970 31.389 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . rr_6v4i 1
. 1 . 87 . 1 1 6 PRO HG3 H -24.247 -29.466 32.878 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . rr_6v4i 1
. 1 . 88 . 1 1 6 PRO N N -26.478 -30.020 31.245 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . rr_6v4i 1
. 1 . 89 . 1 1 6 PRO O O -28.498 -27.138 31.152 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . rr_6v4i 1
. 1 . 90 . 1 1 7 . CA C -28.054 -27.223 28.408 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CA . . . . . . . . . rr_6v4i 1
. 1 . 91 . 1 1 7 . CB C -27.633 -27.643 26.984 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB . . . . . . . . . rr_6v4i 1
. 1 . 92 . 1 1 7 . CB1 C -29.532 -27.437 28.660 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB1 . . . . . . . . . rr_6v4i 1
. 1 . 93 . 1 1 7 . CD1 C -25.754 -25.928 26.854 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD1 . . . . . . . . . rr_6v4i 1
. 1 . 94 . 1 1 7 . CD2 C -31.934 -27.238 28.913 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD2 . . . . . . . . . rr_6v4i 1
. 1 . 95 . 1 1 7 . CD3 C -31.410 -28.443 29.233 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD3 . . . . . . . . . rr_6v4i 1
. 1 . 96 . 1 1 7 . CG1 C -26.139 -27.389 26.771 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG1 . . . . . . . . . rr_6v4i 1
. 1 . 97 . 1 1 7 . CG2 C -28.454 -26.895 25.944 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG2 . . . . . . . . . rr_6v4i 1
. 1 . 98 . 1 1 7 . CJ C -32.208 -29.594 29.723 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CJ . . . . . . . . . rr_6v4i 1
. 1 . 99 . 1 1 7 . H1 H -26.543 -28.511 29.160 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ H1 . . . . . . . . . rr_6v4i 1
. 1 . 100 . 1 1 7 . HA H -27.862 -26.166 28.528 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HA . . . . . . . . . rr_6v4i 1
. 1 . 101 . 1 1 7 . HB H -27.830 -28.698 26.872 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HB . . . . . . . . . rr_6v4i 1
. 1 . 102 . 1 1 7 . HD11 H -24.711 -25.815 26.597 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD11 . . . . . . . . . rr_6v4i 1
. 1 . 103 . 1 1 7 . HD12 H -25.918 -25.569 27.860 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD12 . . . . . . . . . rr_6v4i 1
. 1 . 104 . 1 1 7 . HD13 H -26.358 -25.356 26.165 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD13 . . . . . . . . . rr_6v4i 1
. 1 . 105 . 1 1 7 . HG11 H -25.856 -27.752 25.793 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG11 . . . . . . . . . rr_6v4i 1
. 1 . 106 . 1 1 7 . HG12 H -25.577 -27.922 27.523 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG12 . . . . . . . . . rr_6v4i 1
. 1 . 107 . 1 1 7 . HG21 H -29.351 -27.455 25.722 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG21 . . . . . . . . . rr_6v4i 1
. 1 . 108 . 1 1 7 . HG22 H -27.872 -26.777 25.042 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG22 . . . . . . . . . rr_6v4i 1
. 1 . 109 . 1 1 7 . HG23 H -28.723 -25.922 26.328 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG23 . . . . . . . . . rr_6v4i 1
. 1 . 110 . 1 1 7 . HQ H -32.845 -26.997 28.955 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HQ . . . . . . . . . rr_6v4i 1
. 1 . 111 . 1 1 7 . N N -27.291 -27.941 29.432 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ N . . . . . . . . . rr_6v4i 1
. 1 . 112 . 1 1 7 . NG1 N -30.040 -28.556 29.087 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ NG1 . . . . . . . . . rr_6v4i 1
. 1 . 113 . 1 1 7 . O O -33.426 -29.519 29.875 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ O . . . . . . . . . rr_6v4i 1
. 1 . 114 . 1 1 7 . SG1 S -30.697 -26.175 28.405 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ SG1 . . . . . . . . . rr_6v4i 1
. 2 . 115 . 1 1 2 . C C -31.113 -32.949 31.202 . . . 1.0 . . . . . . . . . . . . A . 1 TBG C . . . . . . . . . rr_6v4i 1
. 2 . 116 . 1 1 2 . CA C -32.063 -32.118 30.332 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CA . . . . . . . . . rr_6v4i 1
. 2 . 117 . 1 1 2 . CB C -32.504 -32.947 29.106 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CB . . . . . . . . . rr_6v4i 1
. 2 . 118 . 1 1 2 . CG1 C -33.613 -32.197 28.379 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG1 . . . . . . . . . rr_6v4i 1
. 2 . 119 . 1 1 2 . CG2 C -33.030 -34.302 29.554 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG2 . . . . . . . . . rr_6v4i 1
. 2 . 120 . 1 1 2 . CG3 C -31.315 -33.146 28.175 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG3 . . . . . . . . . rr_6v4i 1
. 2 . 121 . 1 1 2 . H H -30.467 -30.820 29.820 . . . 1.0 . . . . . . . . . . . . A . 1 TBG H . . . . . . . . . rr_6v4i 1
. 2 . 122 . 1 1 2 . HA H -32.942 -31.877 30.909 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HA . . . . . . . . . rr_6v4i 1
. 2 . 123 . 1 1 2 . HG11 H -33.193 -31.354 27.852 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG11 . . . . . . . . . rr_6v4i 1
. 2 . 124 . 1 1 2 . HG12 H -34.341 -31.847 29.097 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG12 . . . . . . . . . rr_6v4i 1
. 2 . 125 . 1 1 2 . HG13 H -34.094 -32.860 27.675 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG13 . . . . . . . . . rr_6v4i 1
. 2 . 126 . 1 1 2 . HG21 H -33.651 -34.176 30.429 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG21 . . . . . . . . . rr_6v4i 1
. 2 . 127 . 1 1 2 . HG22 H -32.198 -34.949 29.794 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG22 . . . . . . . . . rr_6v4i 1
. 2 . 128 . 1 1 2 . HG23 H -33.612 -34.744 28.759 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG23 . . . . . . . . . rr_6v4i 1
. 2 . 129 . 1 1 2 . HG31 H -30.733 -32.237 28.136 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG31 . . . . . . . . . rr_6v4i 1
. 2 . 130 . 1 1 2 . HG32 H -31.671 -33.386 27.184 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG32 . . . . . . . . . rr_6v4i 1
. 2 . 131 . 1 1 2 . HG33 H -30.700 -33.954 28.541 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG33 . . . . . . . . . rr_6v4i 1
. 2 . 132 . 1 1 2 . N N -31.440 -30.864 29.927 . . . 1.0 . . . . . . . . . . . . A . 1 TBG N . . . . . . . . . rr_6v4i 1
. 2 . 133 . 1 1 2 . O O -30.328 -33.739 30.681 . . . 1.0 . . . . . . . . . . . . A . 1 TBG O . . . . . . . . . rr_6v4i 1
. 2 . 134 . 1 1 3 . C C -30.032 -34.934 32.941 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C . . . . . . . . . rr_6v4i 1
. 2 . 135 . 1 1 3 . C1 C -31.736 -31.453 32.976 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C1 . . . . . . . . . rr_6v4i 1
. 2 . 136 . 1 1 3 . CA C -30.331 -33.523 33.461 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CA . . . . . . . . . rr_6v4i 1
. 2 . 137 . 1 1 3 . CB C -30.994 -33.613 34.840 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CB . . . . . . . . . rr_6v4i 1
. 2 . 138 . 1 1 3 . CD1 C -30.482 -35.775 36.007 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD1 . . . . . . . . . rr_6v4i 1
. 2 . 139 . 1 1 3 . CD2 C -29.215 -33.843 36.597 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD2 . . . . . . . . . rr_6v4i 1
. 2 . 140 . 1 1 3 . CE1 C -29.768 -36.527 36.921 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE1 . . . . . . . . . rr_6v4i 1
. 2 . 141 . 1 1 3 . CE2 C -28.498 -34.589 37.512 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE2 . . . . . . . . . rr_6v4i 1
. 2 . 142 . 1 1 3 . CG C -30.214 -34.427 35.835 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CG . . . . . . . . . rr_6v4i 1
. 2 . 143 . 1 1 3 . CZ C -28.775 -35.933 37.675 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CZ . . . . . . . . . rr_6v4i 1
. 2 . 144 . 1 1 3 . HA H -29.403 -32.981 33.556 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HA . . . . . . . . . rr_6v4i 1
. 2 . 145 . 1 1 3 . HB1 H -31.970 -34.064 34.733 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB1 . . . . . . . . . rr_6v4i 1
. 2 . 146 . 1 1 3 . HB2 H -31.105 -32.619 35.244 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB2 . . . . . . . . . rr_6v4i 1
. 2 . 147 . 1 1 3 . HC1 H -31.458 -30.690 32.263 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC1 . . . . . . . . . rr_6v4i 1
. 2 . 148 . 1 1 3 . HC2 H -31.332 -31.202 33.945 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC2 . . . . . . . . . rr_6v4i 1
. 2 . 149 . 1 1 3 . HC3 H -32.812 -31.510 33.038 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC3 . . . . . . . . . rr_6v4i 1
. 2 . 150 . 1 1 3 . HD1 H -31.259 -36.241 35.418 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD1 . . . . . . . . . rr_6v4i 1
. 2 . 151 . 1 1 3 . HD2 H -28.998 -32.793 36.470 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD2 . . . . . . . . . rr_6v4i 1
. 2 . 152 . 1 1 3 . HE1 H -29.988 -37.577 37.046 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE1 . . . . . . . . . rr_6v4i 1
. 2 . 153 . 1 1 3 . HE2 H -27.722 -34.122 38.100 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE2 . . . . . . . . . rr_6v4i 1
. 2 . 154 . 1 1 3 . HZ H -28.216 -36.518 38.390 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HZ . . . . . . . . . rr_6v4i 1
. 2 . 155 . 1 1 3 . N N -31.190 -32.773 32.534 . . . 1.0 . . . . . . . . . . . . A . 2 MEA N . . . . . . . . . rr_6v4i 1
. 2 . 156 . 1 1 3 . O O -30.933 -35.632 32.476 . . . 1.0 . . . . . . . . . . . . A . 2 MEA O . . . . . . . . . rr_6v4i 1
. 2 . 157 . 1 1 4 PRO C C -27.088 -33.563 32.552 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6v4i 1
. 2 . 158 . 1 1 4 PRO CA C -27.650 -34.577 33.550 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6v4i 1
. 2 . 159 . 1 1 4 PRO CB C -26.603 -35.639 33.873 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6v4i 1
. 2 . 160 . 1 1 4 PRO CD C -28.303 -36.701 32.550 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6v4i 1
. 2 . 161 . 1 1 4 PRO CG C -26.824 -36.699 32.849 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6v4i 1
. 2 . 162 . 1 1 4 PRO HA H -27.938 -34.066 34.456 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6v4i 1
. 2 . 163 . 1 1 4 PRO HB2 H -25.615 -35.211 33.795 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6v4i 1
. 2 . 164 . 1 1 4 PRO HB3 H -26.763 -36.016 34.871 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6v4i 1
. 2 . 165 . 1 1 4 PRO HD2 H -28.472 -36.822 31.491 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6v4i 1
. 2 . 166 . 1 1 4 PRO HD3 H -28.797 -37.486 33.104 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6v4i 1
. 2 . 167 . 1 1 4 PRO HG2 H -26.263 -36.467 31.956 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6v4i 1
. 2 . 168 . 1 1 4 PRO HG3 H -26.522 -37.658 33.244 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6v4i 1
. 2 . 169 . 1 1 4 PRO N N -28.757 -35.372 33.004 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6v4i 1
. 2 . 170 . 1 1 4 PRO O O -25.962 -33.091 32.706 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6v4i 1
. 2 . 171 . 1 1 5 ILE C C -27.615 -30.834 31.028 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6v4i 1
. 2 . 172 . 1 1 5 ILE CA C -27.450 -32.269 30.521 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6v4i 1
. 2 . 173 . 1 1 5 ILE CB C -28.257 -32.445 29.218 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6v4i 1
. 2 . 174 . 1 1 5 ILE CD1 C -26.632 -34.197 28.344 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6v4i 1
. 2 . 175 . 1 1 5 ILE CG1 C -28.071 -33.859 28.666 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6v4i 1
. 2 . 176 . 1 1 5 ILE CG2 C -27.845 -31.410 28.182 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6v4i 1
. 2 . 177 . 1 1 5 ILE H H -28.761 -33.633 31.461 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6v4i 1
. 2 . 178 . 1 1 5 ILE HA H -26.409 -32.453 30.303 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6v4i 1
. 2 . 179 . 1 1 5 ILE HB H -29.299 -32.291 29.445 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6v4i 1
. 2 . 180 . 1 1 5 ILE HD11 H -26.575 -35.206 27.964 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6v4i 1
. 2 . 181 . 1 1 5 ILE HD12 H -26.034 -34.116 29.240 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6v4i 1
. 2 . 182 . 1 1 5 ILE HD13 H -26.258 -33.510 27.599 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6v4i 1
. 2 . 183 . 1 1 5 ILE HG12 H -28.423 -34.573 29.396 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6v4i 1
. 2 . 184 . 1 1 5 ILE HG13 H -28.648 -33.964 27.759 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6v4i 1
. 2 . 185 . 1 1 5 ILE HG21 H -27.961 -30.420 28.599 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6v4i 1
. 2 . 186 . 1 1 5 ILE HG22 H -28.472 -31.507 27.308 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6v4i 1
. 2 . 187 . 1 1 5 ILE HG23 H -26.813 -31.567 27.906 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6v4i 1
. 2 . 188 . 1 1 5 ILE N N -27.875 -33.228 31.533 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6v4i 1
. 2 . 189 . 1 1 5 ILE O O -28.732 -30.383 31.280 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6v4i 1
. 2 . 190 . 1 1 6 PRO C C -27.419 -27.807 30.827 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . rr_6v4i 1
. 2 . 191 . 1 1 6 PRO CA C -26.530 -28.710 31.675 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . rr_6v4i 1
. 2 . 192 . 1 1 6 PRO CB C -25.068 -28.260 31.578 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . rr_6v4i 1
. 2 . 193 . 1 1 6 PRO CD C -25.123 -30.552 30.918 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . rr_6v4i 1
. 2 . 194 . 1 1 6 PRO CG C -24.278 -29.521 31.609 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . rr_6v4i 1
. 2 . 195 . 1 1 6 PRO HA H -26.854 -28.662 32.700 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . rr_6v4i 1
. 2 . 196 . 1 1 6 PRO HB2 H -24.916 -27.720 30.655 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . rr_6v4i 1
. 2 . 197 . 1 1 6 PRO HB3 H -24.829 -27.624 32.417 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . rr_6v4i 1
. 2 . 198 . 1 1 6 PRO HD2 H -24.920 -30.559 29.857 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . rr_6v4i 1
. 2 . 199 . 1 1 6 PRO HD3 H -24.951 -31.530 31.344 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . rr_6v4i 1
. 2 . 200 . 1 1 6 PRO HG2 H -23.346 -29.384 31.080 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . rr_6v4i 1
. 2 . 201 . 1 1 6 PRO HG3 H -24.091 -29.813 32.632 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . rr_6v4i 1
. 2 . 202 . 1 1 6 PRO N N -26.499 -30.096 31.189 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . rr_6v4i 1
. 2 . 203 . 1 1 6 PRO O O -28.182 -26.999 31.355 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . rr_6v4i 1
. 2 . 204 . 1 1 7 . CA C -28.100 -27.141 28.588 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CA . . . . . . . . . rr_6v4i 1
. 2 . 205 . 1 1 7 . CB C -27.666 -27.363 27.125 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB . . . . . . . . . rr_6v4i 1
. 2 . 206 . 1 1 7 . CB1 C -29.565 -27.441 28.810 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB1 . . . . . . . . . rr_6v4i 1
. 2 . 207 . 1 1 7 . CD1 C -27.922 -24.973 26.288 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD1 . . . . . . . . . rr_6v4i 1
. 2 . 208 . 1 1 7 . CD2 C -31.977 -27.366 29.025 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD2 . . . . . . . . . rr_6v4i 1
. 2 . 209 . 1 1 7 . CD3 C -31.405 -28.561 29.295 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD3 . . . . . . . . . rr_6v4i 1
. 2 . 210 . 1 1 7 . CG1 C -28.411 -26.402 26.198 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG1 . . . . . . . . . rr_6v4i 1
. 2 . 211 . 1 1 7 . CG2 C -27.912 -28.806 26.709 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG2 . . . . . . . . . rr_6v4i 1
. 2 . 212 . 1 1 7 . CJ C -32.173 -29.766 29.700 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CJ . . . . . . . . . rr_6v4i 1
. 2 . 213 . 1 1 7 . H1 H -26.680 -28.607 29.157 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ H1 . . . . . . . . . rr_6v4i 1
. 2 . 214 . 1 1 7 . HA H -27.950 -26.100 28.839 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HA . . . . . . . . . rr_6v4i 1
. 2 . 215 . 1 1 7 . HB H -26.606 -27.171 27.054 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HB . . . . . . . . . rr_6v4i 1
. 2 . 216 . 1 1 7 . HD11 H -26.913 -24.961 26.672 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD11 . . . . . . . . . rr_6v4i 1
. 2 . 217 . 1 1 7 . HD12 H -28.566 -24.413 26.950 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD12 . . . . . . . . . rr_6v4i 1
. 2 . 218 . 1 1 7 . HD13 H -27.938 -24.524 25.305 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD13 . . . . . . . . . rr_6v4i 1
. 2 . 219 . 1 1 7 . HG11 H -29.462 -26.410 26.450 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG11 . . . . . . . . . rr_6v4i 1
. 2 . 220 . 1 1 7 . HG12 H -28.289 -26.730 25.176 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG12 . . . . . . . . . rr_6v4i 1
. 2 . 221 . 1 1 7 . HG21 H -27.041 -29.401 26.941 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG21 . . . . . . . . . rr_6v4i 1
. 2 . 222 . 1 1 7 . HG22 H -28.103 -28.846 25.647 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG22 . . . . . . . . . rr_6v4i 1
. 2 . 223 . 1 1 7 . HG23 H -28.766 -29.195 27.243 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG23 . . . . . . . . . rr_6v4i 1
. 2 . 224 . 1 1 7 . HQ H -32.898 -27.168 29.061 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HQ . . . . . . . . . rr_6v4i 1
. 2 . 225 . 1 1 7 . N N -27.310 -27.948 29.513 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ N . . . . . . . . . rr_6v4i 1
. 2 . 226 . 1 1 7 . NG1 N -30.027 -28.606 29.173 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ NG1 . . . . . . . . . rr_6v4i 1
. 2 . 227 . 1 1 7 . O O -33.396 -29.736 29.813 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ O . . . . . . . . . rr_6v4i 1
. 2 . 228 . 1 1 7 . SG1 S -30.784 -26.223 28.597 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ SG1 . . . . . . . . . rr_6v4i 1
. 3 . 229 . 1 1 2 . C C -31.125 -32.742 31.353 . . . 1.0 . . . . . . . . . . . . A . 1 TBG C . . . . . . . . . rr_6v4i 1
. 3 . 230 . 1 1 2 . CA C -32.120 -31.944 30.503 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CA . . . . . . . . . rr_6v4i 1
. 3 . 231 . 1 1 2 . CB C -32.634 -32.826 29.345 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CB . . . . . . . . . rr_6v4i 1
. 3 . 232 . 1 1 2 . CG1 C -33.644 -32.030 28.529 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG1 . . . . . . . . . rr_6v4i 1
. 3 . 233 . 1 1 2 . CG2 C -33.308 -34.070 29.901 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG2 . . . . . . . . . rr_6v4i 1
. 3 . 234 . 1 1 2 . CG3 C -31.459 -33.237 28.466 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG3 . . . . . . . . . rr_6v4i 1
. 3 . 235 . 1 1 2 . H H -30.520 -30.727 29.847 . . . 1.0 . . . . . . . . . . . . A . 1 TBG H . . . . . . . . . rr_6v4i 1
. 3 . 236 . 1 1 2 . HA H -32.960 -31.650 31.111 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HA . . . . . . . . . rr_6v4i 1
. 3 . 237 . 1 1 2 . HG11 H -33.122 -31.321 27.903 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG11 . . . . . . . . . rr_6v4i 1
. 3 . 238 . 1 1 2 . HG12 H -34.308 -31.501 29.195 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG12 . . . . . . . . . rr_6v4i 1
. 3 . 239 . 1 1 2 . HG13 H -34.217 -32.704 27.909 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG13 . . . . . . . . . rr_6v4i 1
. 3 . 240 . 1 1 2 . HG21 H -32.640 -34.564 30.591 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG21 . . . . . . . . . rr_6v4i 1
. 3 . 241 . 1 1 2 . HG22 H -33.548 -34.742 29.090 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG22 . . . . . . . . . rr_6v4i 1
. 3 . 242 . 1 1 2 . HG23 H -34.215 -33.789 30.416 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG23 . . . . . . . . . rr_6v4i 1
. 3 . 243 . 1 1 2 . HG31 H -31.792 -33.341 27.444 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG31 . . . . . . . . . rr_6v4i 1
. 3 . 244 . 1 1 2 . HG32 H -31.062 -34.179 28.813 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG32 . . . . . . . . . rr_6v4i 1
. 3 . 245 . 1 1 2 . HG33 H -30.688 -32.481 28.518 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG33 . . . . . . . . . rr_6v4i 1
. 3 . 246 . 1 1 2 . N N -31.488 -30.732 30.003 . . . 1.0 . . . . . . . . . . . . A . 1 TBG N . . . . . . . . . rr_6v4i 1
. 3 . 247 . 1 1 2 . O O -30.053 -33.089 30.867 . . . 1.0 . . . . . . . . . . . . A . 1 TBG O . . . . . . . . . rr_6v4i 1
. 3 . 248 . 1 1 3 . C C -30.042 -35.051 32.771 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C . . . . . . . . . rr_6v4i 1
. 3 . 249 . 1 1 3 . C1 C -32.902 -32.952 33.022 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C1 . . . . . . . . . rr_6v4i 1
. 3 . 250 . 1 1 3 . CA C -30.508 -33.771 33.468 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CA . . . . . . . . . rr_6v4i 1
. 3 . 251 . 1 1 3 . CB C -31.117 -34.118 34.832 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CB . . . . . . . . . rr_6v4i 1
. 3 . 252 . 1 1 3 . CD1 C -29.453 -33.762 36.676 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD1 . . . . . . . . . rr_6v4i 1
. 3 . 253 . 1 1 3 . CD2 C -29.836 -35.988 35.910 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD2 . . . . . . . . . rr_6v4i 1
. 3 . 254 . 1 1 3 . CE1 C -28.531 -34.233 37.592 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE1 . . . . . . . . . rr_6v4i 1
. 3 . 255 . 1 1 3 . CE2 C -28.915 -36.464 36.823 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE2 . . . . . . . . . rr_6v4i 1
. 3 . 256 . 1 1 3 . CG C -30.115 -34.633 35.826 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CG . . . . . . . . . rr_6v4i 1
. 3 . 257 . 1 1 3 . CZ C -28.261 -35.586 37.665 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CZ . . . . . . . . . rr_6v4i 1
. 3 . 258 . 1 1 3 . HA H -29.650 -33.134 33.624 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HA . . . . . . . . . rr_6v4i 1
. 3 . 259 . 1 1 3 . HB1 H -31.872 -34.879 34.697 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB1 . . . . . . . . . rr_6v4i 1
. 3 . 260 . 1 1 3 . HB2 H -31.575 -33.235 35.250 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB2 . . . . . . . . . rr_6v4i 1
. 3 . 261 . 1 1 3 . HC1 H -33.109 -31.982 33.448 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC1 . . . . . . . . . rr_6v4i 1
. 3 . 262 . 1 1 3 . HC2 H -33.119 -33.718 33.749 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC2 . . . . . . . . . rr_6v4i 1
. 3 . 263 . 1 1 3 . HC3 H -33.524 -33.101 32.154 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC3 . . . . . . . . . rr_6v4i 1
. 3 . 264 . 1 1 3 . HD1 H -29.663 -32.704 36.620 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD1 . . . . . . . . . rr_6v4i 1
. 3 . 265 . 1 1 3 . HD2 H -30.346 -36.676 35.252 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD2 . . . . . . . . . rr_6v4i 1
. 3 . 266 . 1 1 3 . HE1 H -28.020 -33.544 38.249 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE1 . . . . . . . . . rr_6v4i 1
. 3 . 267 . 1 1 3 . HE2 H -28.706 -37.523 36.879 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE2 . . . . . . . . . rr_6v4i 1
. 3 . 268 . 1 1 3 . HZ H -27.541 -35.956 38.380 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HZ . . . . . . . . . rr_6v4i 1
. 3 . 269 . 1 1 3 . N N -31.455 -33.025 32.623 . . . 1.0 . . . . . . . . . . . . A . 2 MEA N . . . . . . . . . rr_6v4i 1
. 3 . 270 . 1 1 3 . O O -30.846 -35.756 32.161 . . . 1.0 . . . . . . . . . . . . A . 2 MEA O . . . . . . . . . rr_6v4i 1
. 3 . 271 . 1 1 4 PRO C C -27.062 -33.524 32.665 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6v4i 1
. 3 . 272 . 1 1 4 PRO CA C -27.732 -34.574 33.553 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6v4i 1
. 3 . 273 . 1 1 4 PRO CB C -26.721 -35.634 33.970 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6v4i 1
. 3 . 274 . 1 1 4 PRO CD C -28.123 -36.568 32.236 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6v4i 1
. 3 . 275 . 1 1 4 PRO CG C -26.745 -36.634 32.859 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6v4i 1
. 3 . 276 . 1 1 4 PRO HA H -28.144 -34.100 34.430 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6v4i 1
. 3 . 277 . 1 1 4 PRO HB2 H -25.745 -35.183 34.077 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6v4i 1
. 3 . 278 . 1 1 4 PRO HB3 H -27.024 -36.078 34.906 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6v4i 1
. 3 . 279 . 1 1 4 PRO HD2 H -28.046 -36.456 31.165 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6v4i 1
. 3 . 280 . 1 1 4 PRO HD3 H -28.689 -37.455 32.482 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6v4i 1
. 3 . 281 . 1 1 4 PRO HG2 H -25.994 -36.381 32.126 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6v4i 1
. 3 . 282 . 1 1 4 PRO HG3 H -26.562 -37.622 33.255 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6v4i 1
. 3 . 283 . 1 1 4 PRO N N -28.732 -35.372 32.843 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6v4i 1
. 3 . 284 . 1 1 4 PRO O O -26.015 -32.980 33.017 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6v4i 1
. 3 . 285 . 1 1 5 ILE C C -27.470 -30.833 31.029 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6v4i 1
. 3 . 286 . 1 1 5 ILE CA C -27.124 -32.259 30.583 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6v4i 1
. 3 . 287 . 1 1 5 ILE CB C -27.647 -32.508 29.145 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6v4i 1
. 3 . 288 . 1 1 5 ILE CD1 C -26.500 -34.784 29.191 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6v4i 1
. 3 . 289 . 1 1 5 ILE CG1 C -26.738 -33.504 28.419 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6v4i 1
. 3 . 290 . 1 1 5 ILE CG2 C -27.744 -31.208 28.354 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6v4i 1
. 3 . 291 . 1 1 5 ILE H H -28.499 -33.707 31.286 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6v4i 1
. 3 . 292 . 1 1 5 ILE HA H -26.051 -32.374 30.575 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6v4i 1
. 3 . 293 . 1 1 5 ILE HB H -28.638 -32.928 29.216 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6v4i 1
. 3 . 294 . 1 1 5 ILE HD11 H -27.411 -35.076 29.694 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6v4i 1
. 3 . 295 . 1 1 5 ILE HD12 H -25.721 -34.625 29.922 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6v4i 1
. 3 . 296 . 1 1 5 ILE HD13 H -26.199 -35.565 28.509 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6v4i 1
. 3 . 297 . 1 1 5 ILE HG12 H -27.187 -33.767 27.473 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6v4i 1
. 3 . 298 . 1 1 5 ILE HG13 H -25.779 -33.040 28.241 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6v4i 1
. 3 . 299 . 1 1 5 ILE HG21 H -26.872 -30.602 28.550 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6v4i 1
. 3 . 300 . 1 1 5 ILE HG22 H -28.631 -30.670 28.655 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6v4i 1
. 3 . 301 . 1 1 5 ILE HG23 H -27.798 -31.432 27.300 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6v4i 1
. 3 . 302 . 1 1 5 ILE N N -27.668 -33.243 31.515 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6v4i 1
. 3 . 303 . 1 1 5 ILE O O -28.644 -30.491 31.178 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6v4i 1
. 3 . 304 . 1 1 6 PRO C C -27.517 -27.796 30.717 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . rr_6v4i 1
. 3 . 305 . 1 1 6 PRO CA C -26.648 -28.594 31.683 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . rr_6v4i 1
. 3 . 306 . 1 1 6 PRO CB C -25.230 -28.014 31.723 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . rr_6v4i 1
. 3 . 307 . 1 1 6 PRO CD C -25.017 -30.308 31.099 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . rr_6v4i 1
. 3 . 308 . 1 1 6 PRO CG C -24.333 -29.197 31.842 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . rr_6v4i 1
. 3 . 309 . 1 1 6 PRO HA H -27.083 -28.550 32.667 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . rr_6v4i 1
. 3 . 310 . 1 1 6 PRO HB2 H -25.038 -27.463 30.814 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . rr_6v4i 1
. 3 . 311 . 1 1 6 PRO HB3 H -25.131 -27.359 32.575 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . rr_6v4i 1
. 3 . 312 . 1 1 6 PRO HD2 H -24.726 -30.302 30.059 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . rr_6v4i 1
. 3 . 313 . 1 1 6 PRO HD3 H -24.788 -31.261 31.553 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . rr_6v4i 1
. 3 . 314 . 1 1 6 PRO HG2 H -23.376 -28.979 31.393 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . rr_6v4i 1
. 3 . 315 . 1 1 6 PRO HG3 H -24.210 -29.462 32.882 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . rr_6v4i 1
. 3 . 316 . 1 1 6 PRO N N -26.447 -29.983 31.249 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . rr_6v4i 1
. 3 . 317 . 1 1 6 PRO O O -28.381 -27.025 31.136 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . rr_6v4i 1
. 3 . 318 . 1 1 7 . CA C -28.041 -27.280 28.392 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CA . . . . . . . . . rr_6v4i 1
. 3 . 319 . 1 1 7 . CB C -27.631 -27.732 26.976 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB . . . . . . . . . rr_6v4i 1
. 3 . 320 . 1 1 7 . CB1 C -29.516 -27.483 28.659 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB1 . . . . . . . . . rr_6v4i 1
. 3 . 321 . 1 1 7 . CD1 C -25.640 -27.993 25.412 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD1 . . . . . . . . . rr_6v4i 1
. 3 . 322 . 1 1 7 . CD2 C -31.913 -27.272 28.934 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD2 . . . . . . . . . rr_6v4i 1
. 3 . 323 . 1 1 7 . CD3 C -31.393 -28.477 29.253 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD3 . . . . . . . . . rr_6v4i 1
. 3 . 324 . 1 1 7 . CG1 C -26.130 -27.525 26.765 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG1 . . . . . . . . . rr_6v4i 1
. 3 . 325 . 1 1 7 . CG2 C -28.428 -26.973 25.925 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG2 . . . . . . . . . rr_6v4i 1
. 3 . 326 . 1 1 7 . CJ C -32.193 -29.621 29.754 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CJ . . . . . . . . . rr_6v4i 1
. 3 . 327 . 1 1 7 . H1 H -26.579 -28.611 29.157 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ H1 . . . . . . . . . rr_6v4i 1
. 3 . 328 . 1 1 7 . HA H -27.844 -26.221 28.491 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HA . . . . . . . . . rr_6v4i 1
. 3 . 329 . 1 1 7 . HB H -27.860 -28.782 26.877 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HB . . . . . . . . . rr_6v4i 1
. 3 . 330 . 1 1 7 . HD11 H -24.857 -27.336 25.065 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD11 . . . . . . . . . rr_6v4i 1
. 3 . 331 . 1 1 7 . HD12 H -26.460 -27.980 24.708 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD12 . . . . . . . . . rr_6v4i 1
. 3 . 332 . 1 1 7 . HD13 H -25.255 -28.999 25.496 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD13 . . . . . . . . . rr_6v4i 1
. 3 . 333 . 1 1 7 . HG11 H -25.587 -28.072 27.522 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG11 . . . . . . . . . rr_6v4i 1
. 3 . 334 . 1 1 7 . HG12 H -25.902 -26.474 26.853 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG12 . . . . . . . . . rr_6v4i 1
. 3 . 335 . 1 1 7 . HG21 H -29.290 -27.556 25.636 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG21 . . . . . . . . . rr_6v4i 1
. 3 . 336 . 1 1 7 . HG22 H -27.806 -26.798 25.059 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG22 . . . . . . . . . rr_6v4i 1
. 3 . 337 . 1 1 7 . HG23 H -28.753 -26.027 26.332 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG23 . . . . . . . . . rr_6v4i 1
. 3 . 338 . 1 1 7 . HQ H -32.822 -27.025 28.985 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HQ . . . . . . . . . rr_6v4i 1
. 3 . 339 . 1 1 7 . N N -27.281 -27.984 29.424 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ N . . . . . . . . . rr_6v4i 1
. 3 . 340 . 1 1 7 . NG1 N -30.025 -28.598 29.094 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ NG1 . . . . . . . . . rr_6v4i 1
. 3 . 341 . 1 1 7 . O O -33.408 -29.535 29.918 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ O . . . . . . . . . rr_6v4i 1
. 3 . 342 . 1 1 7 . SG1 S -30.676 -26.216 28.411 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ SG1 . . . . . . . . . rr_6v4i 1
. 4 . 343 . 1 1 2 . C C -31.073 -33.004 31.246 . . . 1.0 . . . . . . . . . . . . A . 1 TBG C . . . . . . . . . rr_6v4i 1
. 4 . 344 . 1 1 2 . CA C -31.989 -32.184 30.326 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CA . . . . . . . . . rr_6v4i 1
. 4 . 345 . 1 1 2 . CB C -32.376 -33.026 29.091 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CB . . . . . . . . . rr_6v4i 1
. 4 . 346 . 1 1 2 . CG1 C -32.929 -34.373 29.543 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG1 . . . . . . . . . rr_6v4i 1
. 4 . 347 . 1 1 2 . CG2 C -31.155 -33.250 28.214 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG2 . . . . . . . . . rr_6v4i 1
. 4 . 348 . 1 1 2 . CG3 C -33.431 -32.272 28.292 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG3 . . . . . . . . . rr_6v4i 1
. 4 . 349 . 1 1 2 . H H -30.403 -30.869 29.809 . . . 1.0 . . . . . . . . . . . . A . 1 TBG H . . . . . . . . . rr_6v4i 1
. 4 . 350 . 1 1 2 . HA H -32.893 -31.948 30.863 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HA . . . . . . . . . rr_6v4i 1
. 4 . 351 . 1 1 2 . HG11 H -32.115 -35.011 29.853 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG11 . . . . . . . . . rr_6v4i 1
. 4 . 352 . 1 1 2 . HG12 H -33.459 -34.838 28.725 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG12 . . . . . . . . . rr_6v4i 1
. 4 . 353 . 1 1 2 . HG13 H -33.606 -34.224 30.372 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG13 . . . . . . . . . rr_6v4i 1
. 4 . 354 . 1 1 2 . HG21 H -30.580 -32.338 28.158 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG21 . . . . . . . . . rr_6v4i 1
. 4 . 355 . 1 1 2 . HG22 H -31.474 -33.534 27.222 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG22 . . . . . . . . . rr_6v4i 1
. 4 . 356 . 1 1 2 . HG23 H -30.546 -34.035 28.634 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG23 . . . . . . . . . rr_6v4i 1
. 4 . 357 . 1 1 2 . HG31 H -32.971 -31.436 27.787 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG31 . . . . . . . . . rr_6v4i 1
. 4 . 358 . 1 1 2 . HG32 H -34.199 -31.912 28.961 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG32 . . . . . . . . . rr_6v4i 1
. 4 . 359 . 1 1 2 . HG33 H -33.871 -32.935 27.562 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG33 . . . . . . . . . rr_6v4i 1
. 4 . 360 . 1 1 2 . N N -31.372 -30.921 29.931 . . . 1.0 . . . . . . . . . . . . A . 1 TBG N . . . . . . . . . rr_6v4i 1
. 4 . 361 . 1 1 2 . O O -30.224 -33.754 30.766 . . . 1.0 . . . . . . . . . . . . A . 1 TBG O . . . . . . . . . rr_6v4i 1
. 4 . 362 . 1 1 3 . C C -30.151 -35.047 33.040 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C . . . . . . . . . rr_6v4i 1
. 4 . 363 . 1 1 3 . C1 C -31.760 -31.518 32.969 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C1 . . . . . . . . . rr_6v4i 1
. 4 . 364 . 1 1 3 . CA C -30.449 -33.628 33.542 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CA . . . . . . . . . rr_6v4i 1
. 4 . 365 . 1 1 3 . CB C -31.173 -33.713 34.890 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CB . . . . . . . . . rr_6v4i 1
. 4 . 366 . 1 1 3 . CD1 C -30.429 -34.830 37.010 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD1 . . . . . . . . . rr_6v4i 1
. 4 . 367 . 1 1 3 . CD2 C -29.185 -32.954 36.221 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD2 . . . . . . . . . rr_6v4i 1
. 4 . 368 . 1 1 3 . CE1 C -29.576 -34.945 38.091 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE1 . . . . . . . . . rr_6v4i 1
. 4 . 369 . 1 1 3 . CE2 C -28.329 -33.064 37.300 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE2 . . . . . . . . . rr_6v4i 1
. 4 . 370 . 1 1 3 . CG C -30.244 -33.835 36.064 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CG . . . . . . . . . rr_6v4i 1
. 4 . 371 . 1 1 3 . CZ C -28.525 -34.060 38.237 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CZ . . . . . . . . . rr_6v4i 1
. 4 . 372 . 1 1 3 . HA H -29.521 -33.098 33.679 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HA . . . . . . . . . rr_6v4i 1
. 4 . 373 . 1 1 3 . HB1 H -31.821 -34.577 34.888 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB1 . . . . . . . . . rr_6v4i 1
. 4 . 374 . 1 1 3 . HB2 H -31.769 -32.825 35.031 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB2 . . . . . . . . . rr_6v4i 1
. 4 . 375 . 1 1 3 . HC1 H -31.406 -30.781 32.264 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC1 . . . . . . . . . rr_6v4i 1
. 4 . 376 . 1 1 3 . HC2 H -31.395 -31.273 33.956 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC2 . . . . . . . . . rr_6v4i 1
. 4 . 377 . 1 1 3 . HC3 H -32.839 -31.521 32.975 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC3 . . . . . . . . . rr_6v4i 1
. 4 . 378 . 1 1 3 . HD1 H -31.250 -35.522 36.897 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD1 . . . . . . . . . rr_6v4i 1
. 4 . 379 . 1 1 3 . HD2 H -29.032 -32.175 35.490 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD2 . . . . . . . . . rr_6v4i 1
. 4 . 380 . 1 1 3 . HE1 H -29.732 -35.724 38.822 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE1 . . . . . . . . . rr_6v4i 1
. 4 . 381 . 1 1 3 . HE2 H -27.508 -32.371 37.412 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE2 . . . . . . . . . rr_6v4i 1
. 4 . 382 . 1 1 3 . HZ H -27.857 -34.148 39.081 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HZ . . . . . . . . . rr_6v4i 1
. 4 . 383 . 1 1 3 . N N -31.259 -32.873 32.574 . . . 1.0 . . . . . . . . . . . . A . 2 MEA N . . . . . . . . . rr_6v4i 1
. 4 . 384 . 1 1 3 . O O -31.068 -35.770 32.650 . . . 1.0 . . . . . . . . . . . . A . 2 MEA O . . . . . . . . . rr_6v4i 1
. 4 . 385 . 1 1 4 PRO C C -27.090 -33.875 32.347 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6v4i 1
. 4 . 386 . 1 1 4 PRO CA C -27.730 -34.673 33.483 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6v4i 1
. 4 . 387 . 1 1 4 PRO CB C -26.769 -35.744 33.988 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6v4i 1
. 4 . 388 . 1 1 4 PRO CD C -28.432 -36.808 32.590 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6v4i 1
. 4 . 389 . 1 1 4 PRO CG C -27.008 -36.916 33.091 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6v4i 1
. 4 . 390 . 1 1 4 PRO HA H -27.995 -34.011 34.293 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6v4i 1
. 4 . 391 . 1 1 4 PRO HB2 H -25.753 -35.385 33.911 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6v4i 1
. 4 . 392 . 1 1 4 PRO HB3 H -26.997 -35.982 35.016 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6v4i 1
. 4 . 393 . 1 1 4 PRO HD2 H -28.456 -36.878 31.513 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6v4i 1
. 4 . 394 . 1 1 4 PRO HD3 H -29.044 -37.581 33.031 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6v4i 1
. 4 . 395 . 1 1 4 PRO HG2 H -26.319 -36.884 32.261 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6v4i 1
. 4 . 396 . 1 1 4 PRO HG3 H -26.878 -37.832 33.648 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6v4i 1
. 4 . 397 . 1 1 4 PRO N N -28.869 -35.475 33.036 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6v4i 1
. 4 . 398 . 1 1 4 PRO O O -25.911 -34.049 32.037 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6v4i 1
. 4 . 399 . 1 1 5 ILE C C -27.547 -30.689 30.991 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6v4i 1
. 4 . 400 . 1 1 5 ILE CA C -27.406 -32.172 30.634 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6v4i 1
. 4 . 401 . 1 1 5 ILE CB C -28.196 -32.479 29.344 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6v4i 1
. 4 . 402 . 1 1 5 ILE CD1 C -26.612 -34.355 28.669 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6v4i 1
. 4 . 403 . 1 1 5 ILE CG1 C -28.040 -33.955 28.970 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6v4i 1
. 4 . 404 . 1 1 5 ILE CG2 C -27.742 -31.589 28.199 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6v4i 1
. 4 . 405 . 1 1 5 ILE H H -28.802 -32.909 32.025 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6v4i 1
. 4 . 406 . 1 1 5 ILE HA H -26.365 -32.401 30.462 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6v4i 1
. 4 . 407 . 1 1 5 ILE HB H -29.236 -32.275 29.532 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6v4i 1
. 4 . 408 . 1 1 5 ILE HD11 H -26.532 -34.653 27.634 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6v4i 1
. 4 . 409 . 1 1 5 ILE HD12 H -26.329 -35.181 29.305 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6v4i 1
. 4 . 410 . 1 1 5 ILE HD13 H -25.957 -33.516 28.854 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6v4i 1
. 4 . 411 . 1 1 5 ILE HG12 H -28.389 -34.566 29.789 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6v4i 1
. 4 . 412 . 1 1 5 ILE HG13 H -28.636 -34.161 28.093 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6v4i 1
. 4 . 413 . 1 1 5 ILE HG21 H -27.116 -32.157 27.528 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6v4i 1
. 4 . 414 . 1 1 5 ILE HG22 H -27.186 -30.752 28.590 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6v4i 1
. 4 . 415 . 1 1 5 ILE HG23 H -28.608 -31.227 27.663 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6v4i 1
. 4 . 416 . 1 1 5 ILE N N -27.877 -33.001 31.732 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6v4i 1
. 4 . 417 . 1 1 5 ILE O O -28.660 -30.171 31.091 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6v4i 1
. 4 . 418 . 1 1 6 PRO C C -27.386 -27.726 30.750 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . rr_6v4i 1
. 4 . 419 . 1 1 6 PRO CA C -26.414 -28.568 31.568 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . rr_6v4i 1
. 4 . 420 . 1 1 6 PRO CB C -24.975 -28.145 31.287 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . rr_6v4i 1
. 4 . 421 . 1 1 6 PRO CD C -25.045 -30.534 31.118 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . rr_6v4i 1
. 4 . 422 . 1 1 6 PRO CG C -24.172 -29.376 31.525 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . rr_6v4i 1
. 4 . 423 . 1 1 6 PRO HA H -26.628 -28.434 32.614 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . rr_6v4i 1
. 4 . 424 . 1 1 6 PRO HB2 H -24.889 -27.805 30.265 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . rr_6v4i 1
. 4 . 425 . 1 1 6 PRO HB3 H -24.690 -27.351 31.962 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . rr_6v4i 1
. 4 . 426 . 1 1 6 PRO HD2 H -24.816 -30.840 30.107 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . rr_6v4i 1
. 4 . 427 . 1 1 6 PRO HD3 H -24.916 -31.361 31.801 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . rr_6v4i 1
. 4 . 428 . 1 1 6 PRO HG2 H -23.276 -29.351 30.922 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . rr_6v4i 1
. 4 . 429 . 1 1 6 PRO HG3 H -23.917 -29.450 32.572 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . rr_6v4i 1
. 4 . 430 . 1 1 6 PRO N N -26.416 -29.990 31.203 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . rr_6v4i 1
. 4 . 431 . 1 1 6 PRO O O -28.202 -26.989 31.304 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . rr_6v4i 1
. 4 . 432 . 1 1 7 . CA C -28.147 -27.056 28.540 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CA . . . . . . . . . rr_6v4i 1
. 4 . 433 . 1 1 7 . CB C -27.758 -27.239 27.058 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB . . . . . . . . . rr_6v4i 1
. 4 . 434 . 1 1 7 . CB1 C -29.593 -27.416 28.806 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB1 . . . . . . . . . rr_6v4i 1
. 4 . 435 . 1 1 7 . CD1 C -26.091 -29.169 26.754 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD1 . . . . . . . . . rr_6v4i 1
. 4 . 436 . 1 1 7 . CD2 C -31.998 -27.419 29.089 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD2 . . . . . . . . . rr_6v4i 1
. 4 . 437 . 1 1 7 . CD3 C -31.386 -28.599 29.327 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD3 . . . . . . . . . rr_6v4i 1
. 4 . 438 . 1 1 7 . CG1 C -27.542 -28.725 26.738 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG1 . . . . . . . . . rr_6v4i 1
. 4 . 439 . 1 1 7 . CG2 C -26.520 -26.413 26.727 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG2 . . . . . . . . . rr_6v4i 1
. 4 . 440 . 1 1 7 . CJ C -32.120 -29.828 29.730 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CJ . . . . . . . . . rr_6v4i 1
. 4 . 441 . 1 1 7 . H1 H -26.608 -28.420 29.054 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ H1 . . . . . . . . . rr_6v4i 1
. 4 . 442 . 1 1 7 . HA H -28.036 -26.011 28.794 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HA . . . . . . . . . rr_6v4i 1
. 4 . 443 . 1 1 7 . HB H -28.572 -26.867 26.454 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HB . . . . . . . . . rr_6v4i 1
. 4 . 444 . 1 1 7 . HD11 H -25.674 -29.069 25.763 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD11 . . . . . . . . . rr_6v4i 1
. 4 . 445 . 1 1 7 . HD12 H -26.033 -30.201 27.066 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD12 . . . . . . . . . rr_6v4i 1
. 4 . 446 . 1 1 7 . HD13 H -25.532 -28.553 27.442 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD13 . . . . . . . . . rr_6v4i 1
. 4 . 447 . 1 1 7 . HG11 H -27.941 -28.932 25.755 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG11 . . . . . . . . . rr_6v4i 1
. 4 . 448 . 1 1 7 . HG12 H -28.074 -29.318 27.464 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG12 . . . . . . . . . rr_6v4i 1
. 4 . 449 . 1 1 7 . HG21 H -25.715 -26.689 27.392 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG21 . . . . . . . . . rr_6v4i 1
. 4 . 450 . 1 1 7 . HG22 H -26.744 -25.364 26.851 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG22 . . . . . . . . . rr_6v4i 1
. 4 . 451 . 1 1 7 . HG23 H -26.224 -26.600 25.705 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG23 . . . . . . . . . rr_6v4i 1
. 4 . 452 . 1 1 7 . HQ H -32.924 -27.249 29.152 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HQ . . . . . . . . . rr_6v4i 1
. 4 . 453 . 1 1 7 . N N -27.285 -27.825 29.433 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ N . . . . . . . . . rr_6v4i 1
. 4 . 454 . 1 1 7 . NG1 N -30.008 -28.602 29.167 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ NG1 . . . . . . . . . rr_6v4i 1
. 4 . 455 . 1 1 7 . O O -33.342 -29.819 29.864 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ O . . . . . . . . . rr_6v4i 1
. 4 . 456 . 1 1 7 . SG1 S -30.854 -26.236 28.644 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ SG1 . . . . . . . . . rr_6v4i 1
. 5 . 457 . 1 1 2 . C C -31.067 -32.737 31.282 . . . 1.0 . . . . . . . . . . . . A . 1 TBG C . . . . . . . . . rr_6v4i 1
. 5 . 458 . 1 1 2 . CA C -32.060 -31.960 30.409 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CA . . . . . . . . . rr_6v4i 1
. 5 . 459 . 1 1 2 . CB C -32.506 -32.840 29.222 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CB . . . . . . . . . rr_6v4i 1
. 5 . 460 . 1 1 2 . CG1 C -33.541 -32.079 28.404 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG1 . . . . . . . . . rr_6v4i 1
. 5 . 461 . 1 1 2 . CG2 C -33.124 -34.132 29.734 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG2 . . . . . . . . . rr_6v4i 1
. 5 . 462 . 1 1 2 . CG3 C -31.296 -33.168 28.358 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG3 . . . . . . . . . rr_6v4i 1
. 5 . 463 . 1 1 2 . H H -30.482 -30.681 29.817 . . . 1.0 . . . . . . . . . . . . A . 1 TBG H . . . . . . . . . rr_6v4i 1
. 5 . 464 . 1 1 2 . HA H -32.928 -31.703 30.993 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HA . . . . . . . . . rr_6v4i 1
. 5 . 465 . 1 1 2 . HG11 H -33.944 -32.728 27.640 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG11 . . . . . . . . . rr_6v4i 1
. 5 . 466 . 1 1 2 . HG12 H -33.073 -31.223 27.940 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG12 . . . . . . . . . rr_6v4i 1
. 5 . 467 . 1 1 2 . HG13 H -34.339 -31.747 29.051 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG13 . . . . . . . . . rr_6v4i 1
. 5 . 468 . 1 1 2 . HG21 H -34.047 -33.910 30.249 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG21 . . . . . . . . . rr_6v4i 1
. 5 . 469 . 1 1 2 . HG22 H -32.439 -34.614 30.415 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG22 . . . . . . . . . rr_6v4i 1
. 5 . 470 . 1 1 2 . HG23 H -33.326 -34.789 28.902 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG23 . . . . . . . . . rr_6v4i 1
. 5 . 471 . 1 1 2 . HG31 H -31.607 -33.272 27.328 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG31 . . . . . . . . . rr_6v4i 1
. 5 . 472 . 1 1 2 . HG32 H -30.853 -34.093 28.694 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG32 . . . . . . . . . rr_6v4i 1
. 5 . 473 . 1 1 2 . HG33 H -30.571 -32.371 28.437 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG33 . . . . . . . . . rr_6v4i 1
. 5 . 474 . 1 1 2 . N N -31.453 -30.721 29.944 . . . 1.0 . . . . . . . . . . . . A . 1 TBG N . . . . . . . . . rr_6v4i 1
. 5 . 475 . 1 1 2 . O O -30.040 -33.183 30.781 . . . 1.0 . . . . . . . . . . . . A . 1 TBG O . . . . . . . . . rr_6v4i 1
. 5 . 476 . 1 1 3 . C C -30.051 -34.977 32.853 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C . . . . . . . . . rr_6v4i 1
. 5 . 477 . 1 1 3 . C1 C -32.810 -32.986 32.894 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C1 . . . . . . . . . rr_6v4i 1
. 5 . 478 . 1 1 3 . CA C -30.387 -33.606 33.443 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CA . . . . . . . . . rr_6v4i 1
. 5 . 479 . 1 1 3 . CB C -30.919 -33.762 34.875 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CB . . . . . . . . . rr_6v4i 1
. 5 . 480 . 1 1 3 . CD1 C -29.649 -34.429 36.934 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD1 . . . . . . . . . rr_6v4i 1
. 5 . 481 . 1 1 3 . CD2 C -29.145 -32.331 35.917 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD2 . . . . . . . . . rr_6v4i 1
. 5 . 482 . 1 1 3 . CE1 C -28.696 -34.190 37.906 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE1 . . . . . . . . . rr_6v4i 1
. 5 . 483 . 1 1 3 . CE2 C -28.191 -32.087 36.886 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE2 . . . . . . . . . rr_6v4i 1
. 5 . 484 . 1 1 3 . CG C -29.884 -33.503 35.931 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CG . . . . . . . . . rr_6v4i 1
. 5 . 485 . 1 1 3 . CZ C -27.966 -33.018 37.882 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CZ . . . . . . . . . rr_6v4i 1
. 5 . 486 . 1 1 3 . HA H -29.482 -33.016 33.473 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HA . . . . . . . . . rr_6v4i 1
. 5 . 487 . 1 1 3 . HB1 H -31.286 -34.769 35.008 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB1 . . . . . . . . . rr_6v4i 1
. 5 . 488 . 1 1 3 . HB2 H -31.728 -33.066 35.032 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB2 . . . . . . . . . rr_6v4i 1
. 5 . 489 . 1 1 3 . HC1 H -33.349 -33.288 32.010 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC1 . . . . . . . . . rr_6v4i 1
. 5 . 490 . 1 1 3 . HC2 H -33.174 -32.023 33.224 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC2 . . . . . . . . . rr_6v4i 1
. 5 . 491 . 1 1 3 . HC3 H -32.970 -33.715 33.673 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC3 . . . . . . . . . rr_6v4i 1
. 5 . 492 . 1 1 3 . HD1 H -30.220 -35.346 36.954 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD1 . . . . . . . . . rr_6v4i 1
. 5 . 493 . 1 1 3 . HD2 H -29.320 -31.603 35.139 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD2 . . . . . . . . . rr_6v4i 1
. 5 . 494 . 1 1 3 . HE1 H -28.522 -34.919 38.684 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE1 . . . . . . . . . rr_6v4i 1
. 5 . 495 . 1 1 3 . HE2 H -27.621 -31.170 36.865 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE2 . . . . . . . . . rr_6v4i 1
. 5 . 496 . 1 1 3 . HZ H -27.220 -32.829 38.640 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HZ . . . . . . . . . rr_6v4i 1
. 5 . 497 . 1 1 3 . N N -31.344 -32.889 32.587 . . . 1.0 . . . . . . . . . . . . A . 2 MEA N . . . . . . . . . rr_6v4i 1
. 5 . 498 . 1 1 3 . O O -30.924 -35.650 32.305 . . . 1.0 . . . . . . . . . . . . A . 2 MEA O . . . . . . . . . rr_6v4i 1
. 5 . 499 . 1 1 4 PRO C C -27.057 -33.606 32.671 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6v4i 1
. 5 . 500 . 1 1 4 PRO CA C -27.696 -34.651 33.588 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6v4i 1
. 5 . 501 . 1 1 4 PRO CB C -26.685 -35.740 33.932 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6v4i 1
. 5 . 502 . 1 1 4 PRO CD C -28.293 -36.710 32.432 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6v4i 1
. 5 . 503 . 1 1 4 PRO CG C -26.841 -36.748 32.845 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6v4i 1
. 5 . 504 . 1 1 4 PRO HA H -28.033 -34.174 34.494 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6v4i 1
. 5 . 505 . 1 1 4 PRO HB2 H -25.690 -35.321 33.946 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6v4i 1
. 5 . 506 . 1 1 4 PRO HB3 H -26.920 -36.162 34.898 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6v4i 1
. 5 . 507 . 1 1 4 PRO HD2 H -28.379 -36.752 31.357 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6v4i 1
. 5 . 508 . 1 1 4 PRO HD3 H -28.833 -37.527 32.886 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6v4i 1
. 5 . 509 . 1 1 4 PRO HG2 H -26.208 -36.486 32.010 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6v4i 1
. 5 . 510 . 1 1 4 PRO HG3 H -26.584 -37.729 33.216 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6v4i 1
. 5 . 511 . 1 1 4 PRO N N -28.775 -35.413 32.945 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6v4i 1
. 5 . 512 . 1 1 4 PRO O O -26.007 -33.051 32.996 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6v4i 1
. 5 . 513 . 1 1 5 ILE C C -27.513 -30.927 31.041 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6v4i 1
. 5 . 514 . 1 1 5 ILE CA C -27.166 -32.351 30.588 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6v4i 1
. 5 . 515 . 1 1 5 ILE CB C -27.706 -32.602 29.158 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6v4i 1
. 5 . 516 . 1 1 5 ILE CD1 C -25.427 -33.365 28.321 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6v4i 1
. 5 . 517 . 1 1 5 ILE CG1 C -26.894 -33.704 28.476 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6v4i 1
. 5 . 518 . 1 1 5 ILE CG2 C -27.678 -31.329 28.324 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6v4i 1
. 5 . 519 . 1 1 5 ILE H H -28.522 -33.803 31.322 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6v4i 1
. 5 . 520 . 1 1 5 ILE HA H -26.092 -32.460 30.565 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6v4i 1
. 5 . 521 . 1 1 5 ILE HB H -28.731 -32.924 29.235 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6v4i 1
. 5 . 522 . 1 1 5 ILE HD11 H -24.862 -33.843 29.108 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6v4i 1
. 5 . 523 . 1 1 5 ILE HD12 H -25.297 -32.294 28.384 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6v4i 1
. 5 . 524 . 1 1 5 ILE HD13 H -25.077 -33.715 27.362 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6v4i 1
. 5 . 525 . 1 1 5 ILE HG12 H -26.963 -34.609 29.061 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6v4i 1
. 5 . 526 . 1 1 5 ILE HG13 H -27.299 -33.885 27.492 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6v4i 1
. 5 . 527 . 1 1 5 ILE HG21 H -28.394 -30.624 28.719 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6v4i 1
. 5 . 528 . 1 1 5 ILE HG22 H -27.932 -31.564 27.301 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6v4i 1
. 5 . 529 . 1 1 5 ILE HG23 H -26.689 -30.897 28.359 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6v4i 1
. 5 . 530 . 1 1 5 ILE N N -27.688 -33.335 31.532 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6v4i 1
. 5 . 531 . 1 1 5 ILE O O -28.681 -30.604 31.258 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6v4i 1
. 5 . 532 . 1 1 6 PRO C C -27.622 -27.870 30.737 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . rr_6v4i 1
. 5 . 533 . 1 1 6 PRO CA C -26.691 -28.668 31.643 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . rr_6v4i 1
. 5 . 534 . 1 1 6 PRO CB C -25.281 -28.070 31.600 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . rr_6v4i 1
. 5 . 535 . 1 1 6 PRO CD C -25.068 -30.363 30.977 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . rr_6v4i 1
. 5 . 536 . 1 1 6 PRO CG C -24.362 -29.239 31.678 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . rr_6v4i 1
. 5 . 537 . 1 1 6 PRO HA H -27.064 -28.629 32.651 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . rr_6v4i 1
. 5 . 538 . 1 1 6 PRO HB2 H -25.148 -27.524 30.677 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . rr_6v4i 1
. 5 . 539 . 1 1 6 PRO HB3 H -25.143 -27.405 32.440 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . rr_6v4i 1
. 5 . 540 . 1 1 6 PRO HD2 H -24.833 -30.359 29.923 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . rr_6v4i 1
. 5 . 541 . 1 1 6 PRO HD3 H -24.803 -31.310 31.423 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . rr_6v4i 1
. 5 . 542 . 1 1 6 PRO HG2 H -23.433 -29.010 31.177 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . rr_6v4i 1
. 5 . 543 . 1 1 6 PRO HG3 H -24.180 -29.496 32.711 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . rr_6v4i 1
. 5 . 544 . 1 1 6 PRO N N -26.494 -30.058 31.201 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . rr_6v4i 1
. 5 . 545 . 1 1 6 PRO O O -28.599 -27.281 31.201 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . rr_6v4i 1
. 5 . 546 . 1 1 7 . CA C -28.096 -27.097 28.465 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CA . . . . . . . . . rr_6v4i 1
. 5 . 547 . 1 1 7 . CB C -27.650 -27.409 27.022 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB . . . . . . . . . rr_6v4i 1
. 5 . 548 . 1 1 7 . CB1 C -29.568 -27.375 28.690 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB1 . . . . . . . . . rr_6v4i 1
. 5 . 549 . 1 1 7 . CD1 C -28.396 -29.072 25.247 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD1 . . . . . . . . . rr_6v4i 1
. 5 . 550 . 1 1 7 . CD2 C -31.979 -27.269 28.897 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD2 . . . . . . . . . rr_6v4i 1
. 5 . 551 . 1 1 7 . CD3 C -31.418 -28.454 29.221 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD3 . . . . . . . . . rr_6v4i 1
. 5 . 552 . 1 1 7 . CG1 C -27.935 -28.871 26.674 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG1 . . . . . . . . . rr_6v4i 1
. 5 . 553 . 1 1 7 . CG2 C -26.170 -27.098 26.848 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG2 . . . . . . . . . rr_6v4i 1
. 5 . 554 . 1 1 7 . CJ C -32.188 -29.633 29.686 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CJ . . . . . . . . . rr_6v4i 1
. 5 . 555 . 1 1 7 . H1 H -26.505 -28.321 29.150 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ H1 . . . . . . . . . rr_6v4i 1
. 5 . 556 . 1 1 7 . HA H -27.947 -26.042 28.648 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HA . . . . . . . . . rr_6v4i 1
. 5 . 557 . 1 1 7 . HB H -28.206 -26.772 26.352 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HB . . . . . . . . . rr_6v4i 1
. 5 . 558 . 1 1 7 . HD11 H -28.292 -30.113 24.979 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD11 . . . . . . . . . rr_6v4i 1
. 5 . 559 . 1 1 7 . HD12 H -27.793 -28.468 24.586 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD12 . . . . . . . . . rr_6v4i 1
. 5 . 560 . 1 1 7 . HD13 H -29.432 -28.779 25.159 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD13 . . . . . . . . . rr_6v4i 1
. 5 . 561 . 1 1 7 . HG11 H -28.706 -29.247 27.329 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG11 . . . . . . . . . rr_6v4i 1
. 5 . 562 . 1 1 7 . HG12 H -27.035 -29.450 26.815 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG12 . . . . . . . . . rr_6v4i 1
. 5 . 563 . 1 1 7 . HG21 H -25.893 -26.286 27.504 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG21 . . . . . . . . . rr_6v4i 1
. 5 . 564 . 1 1 7 . HG22 H -25.980 -26.813 25.823 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG22 . . . . . . . . . rr_6v4i 1
. 5 . 565 . 1 1 7 . HG23 H -25.587 -27.973 27.092 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG23 . . . . . . . . . rr_6v4i 1
. 5 . 566 . 1 1 7 . HQ H -32.899 -27.061 28.923 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HQ . . . . . . . . . rr_6v4i 1
. 5 . 567 . 1 1 7 . N N -27.303 -27.840 29.447 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ N . . . . . . . . . rr_6v4i 1
. 5 . 568 . 1 1 7 . NG1 N -30.041 -28.517 29.101 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ NG1 . . . . . . . . . rr_6v4i 1
. 5 . 569 . 1 1 7 . O O -33.410 -29.594 29.813 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ O . . . . . . . . . rr_6v4i 1
. 5 . 570 . 1 1 7 . SG1 S -30.775 -26.157 28.419 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ SG1 . . . . . . . . . rr_6v4i 1
. 6 . 571 . 1 1 2 . C C -31.087 -32.771 31.292 . . . 1.0 . . . . . . . . . . . . A . 1 TBG C . . . . . . . . . rr_6v4i 1
. 6 . 572 . 1 1 2 . CA C -32.077 -31.973 30.433 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CA . . . . . . . . . rr_6v4i 1
. 6 . 573 . 1 1 2 . CB C -32.559 -32.843 29.252 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CB . . . . . . . . . rr_6v4i 1
. 6 . 574 . 1 1 2 . CG1 C -33.210 -34.115 29.783 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG1 . . . . . . . . . rr_6v4i 1
. 6 . 575 . 1 1 2 . CG2 C -31.375 -33.212 28.373 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG2 . . . . . . . . . rr_6v4i 1
. 6 . 576 . 1 1 2 . CG3 C -33.564 -32.047 28.429 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG3 . . . . . . . . . rr_6v4i 1
. 6 . 577 . 1 1 2 . H H -30.488 -30.717 29.816 . . . 1.0 . . . . . . . . . . . . A . 1 TBG H . . . . . . . . . rr_6v4i 1
. 6 . 578 . 1 1 2 . HA H -32.933 -31.702 31.030 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HA . . . . . . . . . rr_6v4i 1
. 6 . 579 . 1 1 2 . HG11 H -34.116 -33.861 30.314 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG11 . . . . . . . . . rr_6v4i 1
. 6 . 580 . 1 1 2 . HG12 H -32.528 -34.615 30.454 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG12 . . . . . . . . . rr_6v4i 1
. 6 . 581 . 1 1 2 . HG13 H -33.448 -34.769 28.958 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG13 . . . . . . . . . rr_6v4i 1
. 6 . 582 . 1 1 2 . HG21 H -31.724 -33.445 27.378 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG21 . . . . . . . . . rr_6v4i 1
. 6 . 583 . 1 1 2 . HG22 H -30.872 -34.072 28.789 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG22 . . . . . . . . . rr_6v4i 1
. 6 . 584 . 1 1 2 . HG23 H -30.688 -32.380 28.328 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG23 . . . . . . . . . rr_6v4i 1
. 6 . 585 . 1 1 2 . HG31 H -33.041 -31.314 27.833 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG31 . . . . . . . . . rr_6v4i 1
. 6 . 586 . 1 1 2 . HG32 H -34.255 -31.546 29.091 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG32 . . . . . . . . . rr_6v4i 1
. 6 . 587 . 1 1 2 . HG33 H -34.108 -32.717 27.780 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG33 . . . . . . . . . rr_6v4i 1
. 6 . 588 . 1 1 2 . N N -31.458 -30.743 29.958 . . . 1.0 . . . . . . . . . . . . A . 1 TBG N . . . . . . . . . rr_6v4i 1
. 6 . 589 . 1 1 2 . O O -30.080 -33.244 30.775 . . . 1.0 . . . . . . . . . . . . A . 1 TBG O . . . . . . . . . rr_6v4i 1
. 6 . 590 . 1 1 3 . C C -30.094 -35.028 32.854 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C . . . . . . . . . rr_6v4i 1
. 6 . 591 . 1 1 3 . C1 C -32.812 -32.960 32.935 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C1 . . . . . . . . . rr_6v4i 1
. 6 . 592 . 1 1 3 . CA C -30.399 -33.652 33.450 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CA . . . . . . . . . rr_6v4i 1
. 6 . 593 . 1 1 3 . CB C -30.927 -33.807 34.884 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CB . . . . . . . . . rr_6v4i 1
. 6 . 594 . 1 1 3 . CD1 C -29.300 -34.802 36.516 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD1 . . . . . . . . . rr_6v4i 1
. 6 . 595 . 1 1 3 . CD2 C -29.427 -32.427 36.348 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD2 . . . . . . . . . rr_6v4i 1
. 6 . 596 . 1 1 3 . CE1 C -28.321 -34.684 37.485 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE1 . . . . . . . . . rr_6v4i 1
. 6 . 597 . 1 1 3 . CE2 C -28.449 -32.303 37.316 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE2 . . . . . . . . . rr_6v4i 1
. 6 . 598 . 1 1 3 . CG C -29.863 -33.676 35.937 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CG . . . . . . . . . rr_6v4i 1
. 6 . 599 . 1 1 3 . CZ C -27.895 -33.433 37.885 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CZ . . . . . . . . . rr_6v4i 1
. 6 . 600 . 1 1 3 . HA H -29.483 -33.081 33.478 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HA . . . . . . . . . rr_6v4i 1
. 6 . 601 . 1 1 3 . HB1 H -31.383 -34.781 34.989 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB1 . . . . . . . . . rr_6v4i 1
. 6 . 602 . 1 1 3 . HB2 H -31.670 -33.046 35.073 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB2 . . . . . . . . . rr_6v4i 1
. 6 . 603 . 1 1 3 . HC1 H -32.981 -33.661 33.737 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC1 . . . . . . . . . rr_6v4i 1
. 6 . 604 . 1 1 3 . HC2 H -33.372 -33.273 32.067 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC2 . . . . . . . . . rr_6v4i 1
. 6 . 605 . 1 1 3 . HC3 H -33.143 -31.979 33.241 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC3 . . . . . . . . . rr_6v4i 1
. 6 . 606 . 1 1 3 . HD1 H -29.631 -35.781 36.203 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD1 . . . . . . . . . rr_6v4i 1
. 6 . 607 . 1 1 3 . HD2 H -29.860 -31.543 35.904 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD2 . . . . . . . . . rr_6v4i 1
. 6 . 608 . 1 1 3 . HE1 H -27.890 -35.569 37.928 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE1 . . . . . . . . . rr_6v4i 1
. 6 . 609 . 1 1 3 . HE2 H -28.118 -31.323 37.628 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE2 . . . . . . . . . rr_6v4i 1
. 6 . 610 . 1 1 3 . HZ H -27.130 -33.338 38.642 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HZ . . . . . . . . . rr_6v4i 1
. 6 . 611 . 1 1 3 . N N -31.348 -32.913 32.602 . . . 1.0 . . . . . . . . . . . . A . 2 MEA N . . . . . . . . . rr_6v4i 1
. 6 . 612 . 1 1 3 . O O -30.986 -35.687 32.321 . . . 1.0 . . . . . . . . . . . . A . 2 MEA O . . . . . . . . . rr_6v4i 1
. 6 . 613 . 1 1 4 PRO C C -26.998 -33.807 32.577 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6v4i 1
. 6 . 614 . 1 1 4 PRO CA C -27.722 -34.744 33.546 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6v4i 1
. 6 . 615 . 1 1 4 PRO CB C -26.793 -35.869 33.985 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6v4i 1
. 6 . 616 . 1 1 4 PRO CD C -28.368 -36.785 32.405 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6v4i 1
. 6 . 617 . 1 1 4 PRO CG C -26.957 -36.916 32.934 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6v4i 1
. 6 . 618 . 1 1 4 PRO HA H -28.050 -34.187 34.409 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6v4i 1
. 6 . 619 . 1 1 4 PRO HB2 H -25.777 -35.504 34.029 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6v4i 1
. 6 . 620 . 1 1 4 PRO HB3 H -27.095 -36.233 34.955 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6v4i 1
. 6 . 621 . 1 1 4 PRO HD2 H -28.366 -36.787 31.325 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6v4i 1
. 6 . 622 . 1 1 4 PRO HD3 H -28.986 -37.587 32.782 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6v4i 1
. 6 . 623 . 1 1 4 PRO HG2 H -26.245 -36.750 32.139 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6v4i 1
. 6 . 624 . 1 1 4 PRO HG3 H -26.811 -37.894 33.368 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6v4i 1
. 6 . 625 . 1 1 4 PRO N N -28.824 -35.483 32.924 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6v4i 1
. 6 . 626 . 1 1 4 PRO O O -25.781 -33.641 32.661 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6v4i 1
. 6 . 627 . 1 1 5 ILE C C -27.491 -30.820 31.066 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6v4i 1
. 6 . 628 . 1 1 5 ILE CA C -27.164 -32.272 30.695 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6v4i 1
. 6 . 629 . 1 1 5 ILE CB C -27.654 -32.584 29.257 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6v4i 1
. 6 . 630 . 1 1 5 ILE CD1 C -26.578 -34.884 29.482 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6v4i 1
. 6 . 631 . 1 1 5 ILE CG1 C -26.767 -33.655 28.618 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6v4i 1
. 6 . 632 . 1 1 5 ILE CG2 C -27.670 -31.329 28.394 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6v4i 1
. 6 . 633 . 1 1 5 ILE H H -28.710 -33.360 31.649 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6v4i 1
. 6 . 634 . 1 1 5 ILE HA H -26.093 -32.407 30.721 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6v4i 1
. 6 . 635 . 1 1 5 ILE HB H -28.663 -32.957 29.317 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6v4i 1
. 6 . 636 . 1 1 5 ILE HD11 H -26.384 -35.740 28.853 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6v4i 1
. 6 . 637 . 1 1 5 ILE HD12 H -27.473 -35.058 30.061 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6v4i 1
. 6 . 638 . 1 1 5 ILE HD13 H -25.743 -34.730 30.149 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6v4i 1
. 6 . 639 . 1 1 5 ILE HG12 H -27.212 -33.972 27.687 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6v4i 1
. 6 . 640 . 1 1 5 ILE HG13 H -25.792 -33.235 28.420 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6v4i 1
. 6 . 641 . 1 1 5 ILE HG21 H -27.893 -31.599 27.372 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6v4i 1
. 6 . 642 . 1 1 5 ILE HG22 H -26.704 -30.849 28.437 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6v4i 1
. 6 . 643 . 1 1 5 ILE HG23 H -28.427 -30.651 28.760 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6v4i 1
. 6 . 644 . 1 1 5 ILE N N -27.746 -33.194 31.666 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6v4i 1
. 6 . 645 . 1 1 5 ILE O O -28.659 -30.457 31.209 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6v4i 1
. 6 . 646 . 1 1 6 PRO C C -27.574 -27.800 30.685 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . rr_6v4i 1
. 6 . 647 . 1 1 6 PRO CA C -26.629 -28.563 31.608 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . rr_6v4i 1
. 6 . 648 . 1 1 6 PRO CB C -25.214 -27.989 31.504 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . rr_6v4i 1
. 6 . 649 . 1 1 6 PRO CD C -25.030 -30.333 31.098 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . rr_6v4i 1
. 6 . 650 . 1 1 6 PRO CG C -24.316 -29.159 31.703 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . rr_6v4i 1
. 6 . 651 . 1 1 6 PRO HA H -26.978 -28.467 32.621 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . rr_6v4i 1
. 6 . 652 . 1 1 6 PRO HB2 H -25.074 -27.544 30.529 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . rr_6v4i 1
. 6 . 653 . 1 1 6 PRO HB3 H -25.067 -27.244 32.271 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . rr_6v4i 1
. 6 . 654 . 1 1 6 PRO HD2 H -24.760 -30.445 30.059 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . rr_6v4i 1
. 6 . 655 . 1 1 6 PRO HD3 H -24.805 -31.235 31.648 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . rr_6v4i 1
. 6 . 656 . 1 1 6 PRO HG2 H -23.376 -28.991 31.197 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . rr_6v4i 1
. 6 . 657 . 1 1 6 PRO HG3 H -24.152 -29.322 32.758 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . rr_6v4i 1
. 6 . 658 . 1 1 6 PRO N N -26.456 -29.975 31.237 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . rr_6v4i 1
. 6 . 659 . 1 1 6 PRO O O -28.532 -27.176 31.143 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . rr_6v4i 1
. 6 . 660 . 1 1 7 . CA C -28.102 -27.131 28.395 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CA . . . . . . . . . rr_6v4i 1
. 6 . 661 . 1 1 7 . CB C -27.680 -27.485 26.953 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB . . . . . . . . . rr_6v4i 1
. 6 . 662 . 1 1 7 . CB1 C -29.569 -27.403 28.657 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB1 . . . . . . . . . rr_6v4i 1
. 6 . 663 . 1 1 7 . CD1 C -27.504 -26.104 24.822 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD1 . . . . . . . . . rr_6v4i 1
. 6 . 664 . 1 1 7 . CD2 C -31.973 -27.283 28.923 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD2 . . . . . . . . . rr_6v4i 1
. 6 . 665 . 1 1 7 . CD3 C -31.412 -28.472 29.233 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD3 . . . . . . . . . rr_6v4i 1
. 6 . 666 . 1 1 7 . CG1 C -28.394 -26.575 25.952 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG1 . . . . . . . . . rr_6v4i 1
. 6 . 667 . 1 1 7 . CG2 C -27.972 -28.947 26.650 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG2 . . . . . . . . . rr_6v4i 1
. 6 . 668 . 1 1 7 . CJ C -32.184 -29.646 29.712 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CJ . . . . . . . . . rr_6v4i 1
. 6 . 669 . 1 1 7 . H1 H -26.504 -28.340 29.092 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ H1 . . . . . . . . . rr_6v4i 1
. 6 . 670 . 1 1 7 . HA H -27.954 -26.069 28.541 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HA . . . . . . . . . rr_6v4i 1
. 6 . 671 . 1 1 7 . HB H -26.615 -27.334 26.868 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HB . . . . . . . . . rr_6v4i 1
. 6 . 672 . 1 1 7 . HD11 H -26.565 -25.755 25.225 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD11 . . . . . . . . . rr_6v4i 1
. 6 . 673 . 1 1 7 . HD12 H -27.990 -25.297 24.293 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD12 . . . . . . . . . rr_6v4i 1
. 6 . 674 . 1 1 7 . HD13 H -27.322 -26.923 24.142 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD13 . . . . . . . . . rr_6v4i 1
. 6 . 675 . 1 1 7 . HG11 H -28.765 -25.702 26.469 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG11 . . . . . . . . . rr_6v4i 1
. 6 . 676 . 1 1 7 . HG12 H -29.225 -27.110 25.517 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG12 . . . . . . . . . rr_6v4i 1
. 6 . 677 . 1 1 7 . HG21 H -28.732 -29.312 27.324 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG21 . . . . . . . . . rr_6v4i 1
. 6 . 678 . 1 1 7 . HG22 H -27.070 -29.528 26.776 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG22 . . . . . . . . . rr_6v4i 1
. 6 . 679 . 1 1 7 . HG23 H -28.320 -29.041 25.631 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG23 . . . . . . . . . rr_6v4i 1
. 6 . 680 . 1 1 7 . HQ H -32.891 -27.070 28.972 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HQ . . . . . . . . . rr_6v4i 1
. 6 . 681 . 1 1 7 . N N -27.289 -27.837 29.388 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ N . . . . . . . . . rr_6v4i 1
. 6 . 682 . 1 1 7 . NG1 N -30.038 -28.543 29.081 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ NG1 . . . . . . . . . rr_6v4i 1
. 6 . 683 . 1 1 7 . O O -33.403 -29.594 29.861 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ O . . . . . . . . . rr_6v4i 1
. 6 . 684 . 1 1 7 . SG1 S -30.775 -26.179 28.417 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ SG1 . . . . . . . . . rr_6v4i 1
. 7 . 685 . 1 1 2 . C C -31.089 -32.798 31.417 . . . 1.0 . . . . . . . . . . . . A . 1 TBG C . . . . . . . . . rr_6v4i 1
. 7 . 686 . 1 1 2 . CA C -32.069 -32.020 30.531 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CA . . . . . . . . . rr_6v4i 1
. 7 . 687 . 1 1 2 . CB C -32.580 -32.937 29.398 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CB . . . . . . . . . rr_6v4i 1
. 7 . 688 . 1 1 2 . CG1 C -31.400 -33.379 28.540 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG1 . . . . . . . . . rr_6v4i 1
. 7 . 689 . 1 1 2 . CG2 C -33.567 -32.171 28.534 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG2 . . . . . . . . . rr_6v4i 1
. 7 . 690 . 1 1 2 . CG3 C -33.277 -34.153 29.997 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG3 . . . . . . . . . rr_6v4i 1
. 7 . 691 . 1 1 2 . H H -30.463 -30.823 29.839 . . . 1.0 . . . . . . . . . . . . A . 1 TBG H . . . . . . . . . rr_6v4i 1
. 7 . 692 . 1 1 2 . HA H -32.913 -31.703 31.122 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HA . . . . . . . . . rr_6v4i 1
. 7 . 693 . 1 1 2 . HG11 H -30.903 -34.213 29.013 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG11 . . . . . . . . . rr_6v4i 1
. 7 . 694 . 1 1 2 . HG12 H -30.705 -32.559 28.435 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG12 . . . . . . . . . rr_6v4i 1
. 7 . 695 . 1 1 2 . HG13 H -31.755 -33.677 27.565 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG13 . . . . . . . . . rr_6v4i 1
. 7 . 696 . 1 1 2 . HG21 H -33.029 -31.499 27.881 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG21 . . . . . . . . . rr_6v4i 1
. 7 . 697 . 1 1 2 . HG22 H -34.233 -31.603 29.166 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG22 . . . . . . . . . rr_6v4i 1
. 7 . 698 . 1 1 2 . HG23 H -34.141 -32.867 27.939 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG23 . . . . . . . . . rr_6v4i 1
. 7 . 699 . 1 1 2 . HG31 H -34.200 -33.844 30.466 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG31 . . . . . . . . . rr_6v4i 1
. 7 . 700 . 1 1 2 . HG32 H -32.635 -34.611 30.733 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG32 . . . . . . . . . rr_6v4i 1
. 7 . 701 . 1 1 2 . HG33 H -33.493 -34.865 29.214 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG33 . . . . . . . . . rr_6v4i 1
. 7 . 702 . 1 1 2 . N N -31.433 -30.826 29.992 . . . 1.0 . . . . . . . . . . . . A . 1 TBG N . . . . . . . . . rr_6v4i 1
. 7 . 703 . 1 1 2 . O O -29.993 -33.124 30.971 . . . 1.0 . . . . . . . . . . . . A . 1 TBG O . . . . . . . . . rr_6v4i 1
. 7 . 704 . 1 1 3 . C C -30.231 -35.215 32.951 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C . . . . . . . . . rr_6v4i 1
. 7 . 705 . 1 1 3 . C1 C -32.911 -33.053 33.049 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C1 . . . . . . . . . rr_6v4i 1
. 7 . 706 . 1 1 3 . CA C -30.520 -33.828 33.528 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CA . . . . . . . . . rr_6v4i 1
. 7 . 707 . 1 1 3 . CB C -31.041 -33.960 34.966 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CB . . . . . . . . . rr_6v4i 1
. 7 . 708 . 1 1 3 . CD1 C -29.939 -32.039 36.146 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD1 . . . . . . . . . rr_6v4i 1
. 7 . 709 . 1 1 3 . CD2 C -32.317 -32.041 35.962 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD2 . . . . . . . . . rr_6v4i 1
. 7 . 710 . 1 1 3 . CE1 C -29.989 -30.838 36.828 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE1 . . . . . . . . . rr_6v4i 1
. 7 . 711 . 1 1 3 . CE2 C -32.373 -30.840 36.644 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE2 . . . . . . . . . rr_6v4i 1
. 7 . 712 . 1 1 3 . CG C -31.101 -32.653 35.706 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CG . . . . . . . . . rr_6v4i 1
. 7 . 713 . 1 1 3 . CZ C -31.208 -30.238 37.077 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CZ . . . . . . . . . rr_6v4i 1
. 7 . 714 . 1 1 3 . HA H -29.602 -33.265 33.546 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HA . . . . . . . . . rr_6v4i 1
. 7 . 715 . 1 1 3 . HB1 H -30.389 -34.622 35.516 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB1 . . . . . . . . . rr_6v4i 1
. 7 . 716 . 1 1 3 . HB2 H -32.035 -34.378 34.949 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB2 . . . . . . . . . rr_6v4i 1
. 7 . 717 . 1 1 3 . HC1 H -33.113 -32.149 33.603 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC1 . . . . . . . . . rr_6v4i 1
. 7 . 718 . 1 1 3 . HC2 H -33.150 -33.909 33.661 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC2 . . . . . . . . . rr_6v4i 1
. 7 . 719 . 1 1 3 . HC3 H -33.521 -33.072 32.161 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC3 . . . . . . . . . rr_6v4i 1
. 7 . 720 . 1 1 3 . HD1 H -28.985 -32.508 35.952 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD1 . . . . . . . . . rr_6v4i 1
. 7 . 721 . 1 1 3 . HD2 H -33.228 -32.511 35.624 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD2 . . . . . . . . . rr_6v4i 1
. 7 . 722 . 1 1 3 . HE1 H -29.076 -30.371 37.167 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE1 . . . . . . . . . rr_6v4i 1
. 7 . 723 . 1 1 3 . HE2 H -33.327 -30.372 36.837 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE2 . . . . . . . . . rr_6v4i 1
. 7 . 724 . 1 1 3 . HZ H -31.249 -29.299 37.610 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HZ . . . . . . . . . rr_6v4i 1
. 7 . 725 . 1 1 3 . N N -31.459 -33.095 32.671 . . . 1.0 . . . . . . . . . . . . A . 2 MEA N . . . . . . . . . rr_6v4i 1
. 7 . 726 . 1 1 3 . O O -31.154 -35.930 32.561 . . . 1.0 . . . . . . . . . . . . A . 2 MEA O . . . . . . . . . rr_6v4i 1
. 7 . 727 . 1 1 4 PRO C C -27.127 -34.057 32.184 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6v4i 1
. 7 . 728 . 1 1 4 PRO CA C -27.802 -34.826 33.323 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6v4i 1
. 7 . 729 . 1 1 4 PRO CB C -26.869 -35.908 33.852 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6v4i 1
. 7 . 730 . 1 1 4 PRO CD C -28.497 -36.922 32.364 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6v4i 1
. 7 . 731 . 1 1 4 PRO CG C -27.116 -37.091 32.966 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6v4i 1
. 7 . 732 . 1 1 4 PRO HA H -28.064 -34.149 34.121 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6v4i 1
. 7 . 733 . 1 1 4 PRO HB2 H -25.845 -35.569 33.786 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6v4i 1
. 7 . 734 . 1 1 4 PRO HB3 H -27.115 -36.129 34.880 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6v4i 1
. 7 . 735 . 1 1 4 PRO HD2 H -28.438 -36.909 31.286 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6v4i 1
. 7 . 736 . 1 1 4 PRO HD3 H -29.152 -37.714 32.696 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6v4i 1
. 7 . 737 . 1 1 4 PRO HG2 H -26.372 -37.119 32.183 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6v4i 1
. 7 . 738 . 1 1 4 PRO HG3 H -27.074 -37.998 33.551 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6v4i 1
. 7 . 739 . 1 1 4 PRO N N -28.944 -35.620 32.879 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6v4i 1
. 7 . 740 . 1 1 4 PRO O O -26.159 -34.534 31.593 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6v4i 1
. 7 . 741 . 1 1 5 ILE C C -27.407 -30.552 31.082 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6v4i 1
. 7 . 742 . 1 1 5 ILE CA C -27.074 -32.026 30.831 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6v4i 1
. 7 . 743 . 1 1 5 ILE CB C -27.588 -32.452 29.430 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6v4i 1
. 7 . 744 . 1 1 5 ILE CD1 C -25.240 -33.159 28.738 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6v4i 1
. 7 . 745 . 1 1 5 ILE CG1 C -26.697 -33.552 28.847 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6v4i 1
. 7 . 746 . 1 1 5 ILE CG2 C -27.650 -31.263 28.479 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6v4i 1
. 7 . 747 . 1 1 5 ILE H H -28.400 -32.530 32.399 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6v4i 1
. 7 . 748 . 1 1 5 ILE HA H -26.001 -32.151 30.850 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6v4i 1
. 7 . 749 . 1 1 5 ILE HB H -28.587 -32.837 29.541 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6v4i 1
. 7 . 750 . 1 1 5 ILE HD11 H -24.747 -33.798 28.021 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6v4i 1
. 7 . 751 . 1 1 5 ILE HD12 H -24.765 -33.266 29.702 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6v4i 1
. 7 . 752 . 1 1 5 ILE HD13 H -25.167 -32.131 28.413 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6v4i 1
. 7 . 753 . 1 1 5 ILE HG12 H -26.758 -34.427 29.476 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6v4i 1
. 7 . 754 . 1 1 5 ILE HG13 H -27.049 -33.801 27.857 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6v4i 1
. 7 . 755 . 1 1 5 ILE HG21 H -28.563 -30.712 28.652 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6v4i 1
. 7 . 756 . 1 1 5 ILE HG22 H -27.631 -31.617 27.459 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6v4i 1
. 7 . 757 . 1 1 5 ILE HG23 H -26.802 -30.618 28.653 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6v4i 1
. 7 . 758 . 1 1 5 ILE N N -27.635 -32.862 31.889 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6v4i 1
. 7 . 759 . 1 1 5 ILE O O -28.573 -30.156 31.032 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6v4i 1
. 7 . 760 . 1 1 6 PRO C C -27.445 -27.605 30.579 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . rr_6v4i 1
. 7 . 761 . 1 1 6 PRO CA C -26.570 -28.288 31.622 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . rr_6v4i 1
. 7 . 762 . 1 1 6 PRO CB C -25.148 -27.732 31.573 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . rr_6v4i 1
. 7 . 763 . 1 1 6 PRO CD C -24.960 -30.111 31.438 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . rr_6v4i 1
. 7 . 764 . 1 1 6 PRO CG C -24.283 -28.877 31.968 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . rr_6v4i 1
. 7 . 765 . 1 1 6 PRO HA H -26.989 -28.122 32.600 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . rr_6v4i 1
. 7 . 766 . 1 1 6 PRO HB2 H -24.924 -27.393 30.571 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . rr_6v4i 1
. 7 . 767 . 1 1 6 PRO HB3 H -25.055 -26.910 32.266 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . rr_6v4i 1
. 7 . 768 . 1 1 6 PRO HD2 H -24.575 -30.362 30.461 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . rr_6v4i 1
. 7 . 769 . 1 1 6 PRO HD3 H -24.827 -30.937 32.121 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . rr_6v4i 1
. 7 . 770 . 1 1 6 PRO HG2 H -23.304 -28.768 31.526 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . rr_6v4i 1
. 7 . 771 . 1 1 6 PRO HG3 H -24.207 -28.925 33.044 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . rr_6v4i 1
. 7 . 772 . 1 1 6 PRO N N -26.382 -29.720 31.358 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . rr_6v4i 1
. 7 . 773 . 1 1 6 PRO O O -28.278 -26.761 30.910 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . rr_6v4i 1
. 7 . 774 . 1 1 7 . CA C -28.023 -27.395 28.223 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CA . . . . . . . . . rr_6v4i 1
. 7 . 775 . 1 1 7 . CB C -27.606 -27.981 26.861 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB . . . . . . . . . rr_6v4i 1
. 7 . 776 . 1 1 7 . CB1 C -29.492 -27.602 28.514 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB1 . . . . . . . . . rr_6v4i 1
. 7 . 777 . 1 1 7 . CD1 C -25.285 -29.017 27.004 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD1 . . . . . . . . . rr_6v4i 1
. 7 . 778 . 1 1 7 . CD2 C -31.888 -27.403 28.804 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD2 . . . . . . . . . rr_6v4i 1
. 7 . 779 . 1 1 7 . CD3 C -31.353 -28.593 29.161 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD3 . . . . . . . . . rr_6v4i 1
. 7 . 780 . 1 1 7 . CG1 C -26.103 -27.797 26.640 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG1 . . . . . . . . . rr_6v4i 1
. 7 . 781 . 1 1 7 . CG2 C -28.397 -27.328 25.738 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG2 . . . . . . . . . rr_6v4i 1
. 7 . 782 . 1 1 7 . CJ C -32.142 -29.726 29.702 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CJ . . . . . . . . . rr_6v4i 1
. 7 . 783 . 1 1 7 . H1 H -26.572 -28.650 29.121 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ H1 . . . . . . . . . rr_6v4i 1
. 7 . 784 . 1 1 7 . HA H -27.849 -26.328 28.212 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HA . . . . . . . . . rr_6v4i 1
. 7 . 785 . 1 1 7 . HB H -27.836 -29.036 26.862 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HB . . . . . . . . . rr_6v4i 1
. 7 . 786 . 1 1 7 . HD11 H -25.920 -29.891 26.998 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD11 . . . . . . . . . rr_6v4i 1
. 7 . 787 . 1 1 7 . HD12 H -24.862 -28.886 27.989 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD12 . . . . . . . . . rr_6v4i 1
. 7 . 788 . 1 1 7 . HD13 H -24.490 -29.145 26.285 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD13 . . . . . . . . . rr_6v4i 1
. 7 . 789 . 1 1 7 . HG11 H -25.755 -26.971 27.243 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG11 . . . . . . . . . rr_6v4i 1
. 7 . 790 . 1 1 7 . HG12 H -25.923 -27.577 25.598 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG12 . . . . . . . . . rr_6v4i 1
. 7 . 791 . 1 1 7 . HG21 H -29.387 -27.759 25.697 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG21 . . . . . . . . . rr_6v4i 1
. 7 . 792 . 1 1 7 . HG22 H -27.893 -27.494 24.797 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG22 . . . . . . . . . rr_6v4i 1
. 7 . 793 . 1 1 7 . HG23 H -28.474 -26.266 25.922 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG23 . . . . . . . . . rr_6v4i 1
. 7 . 794 . 1 1 7 . HQ H -32.798 -27.164 28.855 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HQ . . . . . . . . . rr_6v4i 1
. 7 . 795 . 1 1 7 . N N -27.251 -27.973 29.318 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ N . . . . . . . . . rr_6v4i 1
. 7 . 796 . 1 1 7 . NG1 N -29.986 -28.707 28.994 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ NG1 . . . . . . . . . rr_6v4i 1
. 7 . 797 . 1 1 7 . O O -33.358 -29.643 29.863 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ O . . . . . . . . . rr_6v4i 1
. 7 . 798 . 1 1 7 . SG1 S -30.667 -26.356 28.232 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ SG1 . . . . . . . . . rr_6v4i 1
. 8 . 799 . 1 1 2 . C C -31.060 -32.814 31.243 . . . 1.0 . . . . . . . . . . . . A . 1 TBG C . . . . . . . . . rr_6v4i 1
. 8 . 800 . 1 1 2 . CA C -32.036 -32.016 30.366 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CA . . . . . . . . . rr_6v4i 1
. 8 . 801 . 1 1 2 . CB C -32.487 -32.880 29.170 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CB . . . . . . . . . rr_6v4i 1
. 8 . 802 . 1 1 2 . CG1 C -33.546 -32.119 28.383 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG1 . . . . . . . . . rr_6v4i 1
. 8 . 803 . 1 1 2 . CG2 C -33.081 -34.189 29.670 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG2 . . . . . . . . . rr_6v4i 1
. 8 . 804 . 1 1 2 . CG3 C -31.288 -33.175 28.280 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG3 . . . . . . . . . rr_6v4i 1
. 8 . 805 . 1 1 2 . H H -30.448 -30.732 29.804 . . . 1.0 . . . . . . . . . . . . A . 1 TBG H . . . . . . . . . rr_6v4i 1
. 8 . 806 . 1 1 2 . HA H -32.905 -31.757 30.945 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HA . . . . . . . . . rr_6v4i 1
. 8 . 807 . 1 1 2 . HG11 H -34.272 -31.703 29.065 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG11 . . . . . . . . . rr_6v4i 1
. 8 . 808 . 1 1 2 . HG12 H -34.039 -32.793 27.698 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG12 . . . . . . . . . rr_6v4i 1
. 8 . 809 . 1 1 2 . HG13 H -33.076 -31.322 27.826 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG13 . . . . . . . . . rr_6v4i 1
. 8 . 810 . 1 1 2 . HG21 H -33.363 -34.801 28.827 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG21 . . . . . . . . . rr_6v4i 1
. 8 . 811 . 1 1 2 . HG22 H -33.953 -33.981 30.273 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG22 . . . . . . . . . rr_6v4i 1
. 8 . 812 . 1 1 2 . HG23 H -32.347 -34.712 30.266 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG23 . . . . . . . . . rr_6v4i 1
. 8 . 813 . 1 1 2 . HG31 H -31.630 -33.422 27.286 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG31 . . . . . . . . . rr_6v4i 1
. 8 . 814 . 1 1 2 . HG32 H -30.733 -34.008 28.686 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG32 . . . . . . . . . rr_6v4i 1
. 8 . 815 . 1 1 2 . HG33 H -30.650 -32.305 28.235 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG33 . . . . . . . . . rr_6v4i 1
. 8 . 816 . 1 1 2 . N N -31.420 -30.773 29.921 . . . 1.0 . . . . . . . . . . . . A . 1 TBG N . . . . . . . . . rr_6v4i 1
. 8 . 817 . 1 1 2 . O O -30.116 -33.401 30.726 . . . 1.0 . . . . . . . . . . . . A . 1 TBG O . . . . . . . . . rr_6v4i 1
. 8 . 818 . 1 1 3 . C C -30.048 -34.953 32.915 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C . . . . . . . . . rr_6v4i 1
. 8 . 819 . 1 1 3 . C1 C -32.738 -32.890 32.868 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C1 . . . . . . . . . rr_6v4i 1
. 8 . 820 . 1 1 3 . CA C -30.332 -33.549 33.451 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CA . . . . . . . . . rr_6v4i 1
. 8 . 821 . 1 1 3 . CB C -30.868 -33.632 34.887 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CB . . . . . . . . . rr_6v4i 1
. 8 . 822 . 1 1 3 . CD1 C -29.648 -34.490 36.905 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD1 . . . . . . . . . rr_6v4i 1
. 8 . 823 . 1 1 3 . CD2 C -28.947 -32.419 35.952 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD2 . . . . . . . . . rr_6v4i 1
. 8 . 824 . 1 1 3 . CE1 C -28.666 -34.382 37.872 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE1 . . . . . . . . . rr_6v4i 1
. 8 . 825 . 1 1 3 . CE2 C -27.964 -32.305 36.916 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE2 . . . . . . . . . rr_6v4i 1
. 8 . 826 . 1 1 3 . CG C -29.800 -33.512 35.936 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CG . . . . . . . . . rr_6v4i 1
. 8 . 827 . 1 1 3 . CZ C -27.823 -33.288 37.877 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CZ . . . . . . . . . rr_6v4i 1
. 8 . 828 . 1 1 3 . HA H -29.406 -32.993 33.459 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HA . . . . . . . . . rr_6v4i 1
. 8 . 829 . 1 1 3 . HB1 H -31.364 -34.582 35.023 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB1 . . . . . . . . . rr_6v4i 1
. 8 . 830 . 1 1 3 . HB2 H -31.577 -32.834 35.046 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB2 . . . . . . . . . rr_6v4i 1
. 8 . 831 . 1 1 3 . HC1 H -32.906 -33.465 33.765 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC1 . . . . . . . . . rr_6v4i 1
. 8 . 832 . 1 1 3 . HC2 H -33.254 -33.361 32.042 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC2 . . . . . . . . . rr_6v4i 1
. 8 . 833 . 1 1 3 . HC3 H -33.122 -31.890 33.007 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC3 . . . . . . . . . rr_6v4i 1
. 8 . 834 . 1 1 3 . HD1 H -30.307 -35.346 36.901 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD1 . . . . . . . . . rr_6v4i 1
. 8 . 835 . 1 1 3 . HD2 H -29.057 -31.651 35.202 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD2 . . . . . . . . . rr_6v4i 1
. 8 . 836 . 1 1 3 . HE1 H -28.559 -35.151 38.622 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE1 . . . . . . . . . rr_6v4i 1
. 8 . 837 . 1 1 3 . HE2 H -27.306 -31.449 36.919 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE2 . . . . . . . . . rr_6v4i 1
. 8 . 838 . 1 1 3 . HZ H -27.055 -33.201 38.631 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HZ . . . . . . . . . rr_6v4i 1
. 8 . 839 . 1 1 3 . N N -31.266 -32.824 32.572 . . . 1.0 . . . . . . . . . . . . A . 2 MEA N . . . . . . . . . rr_6v4i 1
. 8 . 840 . 1 1 3 . O O -30.951 -35.628 32.421 . . . 1.0 . . . . . . . . . . . . A . 2 MEA O . . . . . . . . . rr_6v4i 1
. 8 . 841 . 1 1 4 PRO C C -27.069 -33.615 32.614 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6v4i 1
. 8 . 842 . 1 1 4 PRO CA C -27.659 -34.659 33.568 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6v4i 1
. 8 . 843 . 1 1 4 PRO CB C -26.610 -35.743 33.875 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6v4i 1
. 8 . 844 . 1 1 4 PRO CD C -28.341 -36.731 32.532 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6v4i 1
. 8 . 845 . 1 1 4 PRO CG C -27.234 -37.051 33.494 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6v4i 1
. 8 . 846 . 1 1 4 PRO HA H -27.947 -34.173 34.487 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6v4i 1
. 8 . 847 . 1 1 4 PRO HB2 H -25.717 -35.554 33.297 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6v4i 1
. 8 . 848 . 1 1 4 PRO HB3 H -26.368 -35.719 34.928 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6v4i 1
. 8 . 849 . 1 1 4 PRO HD2 H -27.965 -36.685 31.520 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6v4i 1
. 8 . 850 . 1 1 4 PRO HD3 H -29.137 -37.456 32.612 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6v4i 1
. 8 . 851 . 1 1 4 PRO HG2 H -26.498 -37.683 33.018 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6v4i 1
. 8 . 852 . 1 1 4 PRO HG3 H -27.632 -37.536 34.373 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6v4i 1
. 8 . 853 . 1 1 4 PRO N N -28.780 -35.415 32.991 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6v4i 1
. 8 . 854 . 1 1 4 PRO O O -25.982 -33.093 32.859 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6v4i 1
. 8 . 855 . 1 1 5 ILE C C -27.580 -30.902 31.055 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6v4i 1
. 8 . 856 . 1 1 5 ILE CA C -27.312 -32.327 30.561 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6v4i 1
. 8 . 857 . 1 1 5 ILE CB C -27.989 -32.531 29.185 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6v4i 1
. 8 . 858 . 1 1 5 ILE CD1 C -26.014 -33.908 28.361 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6v4i 1
. 8 . 859 . 1 1 5 ILE CG1 C -27.514 -33.838 28.549 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6v4i 1
. 8 . 860 . 1 1 5 ILE CG2 C -27.710 -31.356 28.261 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6v4i 1
. 8 . 861 . 1 1 5 ILE H H -28.641 -33.754 31.385 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6v4i 1
. 8 . 862 . 1 1 5 ILE HA H -26.249 -32.466 30.438 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6v4i 1
. 8 . 863 . 1 1 5 ILE HB H -29.053 -32.582 29.336 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6v4i 1
. 8 . 864 . 1 1 5 ILE HD11 H -25.566 -34.397 29.214 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6v4i 1
. 8 . 865 . 1 1 5 ILE HD12 H -25.616 -32.908 28.269 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6v4i 1
. 8 . 866 . 1 1 5 ILE HD13 H -25.789 -34.468 27.466 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6v4i 1
. 8 . 867 . 1 1 5 ILE HG12 H -27.807 -34.665 29.179 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6v4i 1
. 8 . 868 . 1 1 5 ILE HG13 H -27.976 -33.948 27.579 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6v4i 1
. 8 . 869 . 1 1 5 ILE HG21 H -28.127 -31.559 27.286 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6v4i 1
. 8 . 870 . 1 1 5 ILE HG22 H -26.644 -31.210 28.174 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6v4i 1
. 8 . 871 . 1 1 5 ILE HG23 H -28.164 -30.464 28.668 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6v4i 1
. 8 . 872 . 1 1 5 ILE N N -27.781 -33.311 31.533 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6v4i 1
. 8 . 873 . 1 1 5 ILE O O -28.725 -30.537 31.324 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6v4i 1
. 8 . 874 . 1 1 6 PRO C C -27.567 -27.848 30.769 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . rr_6v4i 1
. 8 . 875 . 1 1 6 PRO CA C -26.654 -28.689 31.653 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . rr_6v4i 1
. 8 . 876 . 1 1 6 PRO CB C -25.220 -28.147 31.599 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . rr_6v4i 1
. 8 . 877 . 1 1 6 PRO CD C -25.121 -30.424 30.894 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . rr_6v4i 1
. 8 . 878 . 1 1 6 PRO CG C -24.349 -29.355 31.610 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . rr_6v4i 1
. 8 . 879 . 1 1 6 PRO HA H -27.013 -28.652 32.667 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . rr_6v4i 1
. 8 . 880 . 1 1 6 PRO HB2 H -25.085 -27.571 30.695 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . rr_6v4i 1
. 8 . 881 . 1 1 6 PRO HB3 H -25.037 -27.522 32.460 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . rr_6v4i 1
. 8 . 882 . 1 1 6 PRO HD2 H -24.924 -30.386 29.832 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . rr_6v4i 1
. 8 . 883 . 1 1 6 PRO HD3 H -24.875 -31.397 31.291 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . rr_6v4i 1
. 8 . 884 . 1 1 6 PRO HG2 H -23.425 -29.146 31.090 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . rr_6v4i 1
. 8 . 885 . 1 1 6 PRO HG3 H -24.149 -29.655 32.628 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . rr_6v4i 1
. 8 . 886 . 1 1 6 PRO N N -26.523 -30.075 31.184 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . rr_6v4i 1
. 8 . 887 . 1 1 6 PRO O O -28.496 -27.203 31.255 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . rr_6v4i 1
. 8 . 888 . 1 1 7 . CA C -28.081 -27.083 28.510 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CA . . . . . . . . . rr_6v4i 1
. 8 . 889 . 1 1 7 . CB C -27.633 -27.348 27.059 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB . . . . . . . . . rr_6v4i 1
. 8 . 890 . 1 1 7 . CB1 C -29.549 -27.380 28.726 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB1 . . . . . . . . . rr_6v4i 1
. 8 . 891 . 1 1 7 . CD1 C -28.115 -29.033 25.214 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD1 . . . . . . . . . rr_6v4i 1
. 8 . 892 . 1 1 7 . CD2 C -31.961 -27.302 28.929 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD2 . . . . . . . . . rr_6v4i 1
. 8 . 893 . 1 1 7 . CD3 C -31.390 -28.489 29.231 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD3 . . . . . . . . . rr_6v4i 1
. 8 . 894 . 1 1 7 . CG1 C -27.855 -28.814 26.689 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG1 . . . . . . . . . rr_6v4i 1
. 8 . 895 . 1 1 7 . CG2 C -26.172 -26.966 26.878 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG2 . . . . . . . . . rr_6v4i 1
. 8 . 896 . 1 1 7 . CJ C -32.155 -29.681 29.672 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CJ . . . . . . . . . rr_6v4i 1
. 8 . 897 . 1 1 7 . H1 H -26.534 -28.383 29.151 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ H1 . . . . . . . . . rr_6v4i 1
. 8 . 898 . 1 1 7 . HA H -27.939 -26.033 28.728 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HA . . . . . . . . . rr_6v4i 1
. 8 . 899 . 1 1 7 . HB H -28.225 -26.725 26.404 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HB . . . . . . . . . rr_6v4i 1
. 8 . 900 . 1 1 7 . HD11 H -28.961 -29.693 25.091 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD11 . . . . . . . . . rr_6v4i 1
. 8 . 901 . 1 1 7 . HD12 H -27.243 -29.476 24.756 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD12 . . . . . . . . . rr_6v4i 1
. 8 . 902 . 1 1 7 . HD13 H -28.327 -28.085 24.742 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD13 . . . . . . . . . rr_6v4i 1
. 8 . 903 . 1 1 7 . HG11 H -28.706 -29.193 27.236 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG11 . . . . . . . . . rr_6v4i 1
. 8 . 904 . 1 1 7 . HG12 H -26.977 -29.383 26.957 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG12 . . . . . . . . . rr_6v4i 1
. 8 . 905 . 1 1 7 . HG21 H -25.556 -27.850 26.961 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG21 . . . . . . . . . rr_6v4i 1
. 8 . 906 . 1 1 7 . HG22 H -25.887 -26.257 27.640 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG22 . . . . . . . . . rr_6v4i 1
. 8 . 907 . 1 1 7 . HG23 H -26.034 -26.522 25.903 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG23 . . . . . . . . . rr_6v4i 1
. 8 . 908 . 1 1 7 . HQ H -32.883 -27.104 28.956 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HQ . . . . . . . . . rr_6v4i 1
. 8 . 909 . 1 1 7 . N N -27.291 -27.853 29.470 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ N . . . . . . . . . rr_6v4i 1
. 8 . 910 . 1 1 7 . NG1 N -30.011 -28.536 29.114 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ NG1 . . . . . . . . . rr_6v4i 1
. 8 . 911 . 1 1 7 . O O -33.378 -29.648 29.793 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ O . . . . . . . . . rr_6v4i 1
. 8 . 912 . 1 1 7 . SG1 S -30.767 -26.169 28.477 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ SG1 . . . . . . . . . rr_6v4i 1
. 9 . 913 . 1 1 2 . C C -31.081 -32.694 31.321 . . . 1.0 . . . . . . . . . . . . A . 1 TBG C . . . . . . . . . rr_6v4i 1
. 9 . 914 . 1 1 2 . CA C -32.081 -31.919 30.458 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CA . . . . . . . . . rr_6v4i 1
. 9 . 915 . 1 1 2 . CB C -32.554 -32.808 29.287 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CB . . . . . . . . . rr_6v4i 1
. 9 . 916 . 1 1 2 . CG1 C -33.571 -32.035 28.458 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG1 . . . . . . . . . rr_6v4i 1
. 9 . 917 . 1 1 2 . CG2 C -33.204 -34.073 29.826 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG2 . . . . . . . . . rr_6v4i 1
. 9 . 918 . 1 1 2 . CG3 C -31.355 -33.183 28.424 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG3 . . . . . . . . . rr_6v4i 1
. 9 . 919 . 1 1 2 . H H -30.498 -30.662 29.835 . . . 1.0 . . . . . . . . . . . . A . 1 TBG H . . . . . . . . . rr_6v4i 1
. 9 . 920 . 1 1 2 . HA H -32.937 -31.648 31.053 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HA . . . . . . . . . rr_6v4i 1
. 9 . 921 . 1 1 2 . HG11 H -33.978 -32.682 27.695 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG11 . . . . . . . . . rr_6v4i 1
. 9 . 922 . 1 1 2 . HG12 H -33.087 -31.189 27.993 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG12 . . . . . . . . . rr_6v4i 1
. 9 . 923 . 1 1 2 . HG13 H -34.368 -31.687 29.099 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG13 . . . . . . . . . rr_6v4i 1
. 9 . 924 . 1 1 2 . HG21 H -32.535 -34.551 30.527 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG21 . . . . . . . . . rr_6v4i 1
. 9 . 925 . 1 1 2 . HG22 H -33.411 -34.747 29.009 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG22 . . . . . . . . . rr_6v4i 1
. 9 . 926 . 1 1 2 . HG23 H -34.127 -33.818 30.326 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG23 . . . . . . . . . rr_6v4i 1
. 9 . 927 . 1 1 2 . HG31 H -30.802 -33.978 28.902 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG31 . . . . . . . . . rr_6v4i 1
. 9 . 928 . 1 1 2 . HG32 H -30.715 -32.321 28.304 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG32 . . . . . . . . . rr_6v4i 1
. 9 . 929 . 1 1 2 . HG33 H -31.699 -33.514 27.455 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG33 . . . . . . . . . rr_6v4i 1
. 9 . 930 . 1 1 2 . N N -31.468 -30.691 29.973 . . . 1.0 . . . . . . . . . . . . A . 1 TBG N . . . . . . . . . rr_6v4i 1
. 9 . 931 . 1 1 2 . O O -30.000 -33.024 30.844 . . . 1.0 . . . . . . . . . . . . A . 1 TBG O . . . . . . . . . rr_6v4i 1
. 9 . 932 . 1 1 3 . C C -30.039 -35.024 32.796 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C . . . . . . . . . rr_6v4i 1
. 9 . 933 . 1 1 3 . C1 C -32.867 -33.005 32.957 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C1 . . . . . . . . . rr_6v4i 1
. 9 . 934 . 1 1 3 . CA C -30.444 -33.696 33.433 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CA . . . . . . . . . rr_6v4i 1
. 9 . 935 . 1 1 3 . CB C -30.984 -33.943 34.849 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CB . . . . . . . . . rr_6v4i 1
. 9 . 936 . 1 1 3 . CD1 C -30.466 -31.560 35.461 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD1 . . . . . . . . . rr_6v4i 1
. 9 . 937 . 1 1 3 . CD2 C -32.323 -32.626 36.512 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD2 . . . . . . . . . rr_6v4i 1
. 9 . 938 . 1 1 3 . CE1 C -30.722 -30.405 36.173 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE1 . . . . . . . . . rr_6v4i 1
. 9 . 939 . 1 1 3 . CE2 C -32.583 -31.473 37.227 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE2 . . . . . . . . . rr_6v4i 1
. 9 . 940 . 1 1 3 . CG C -31.263 -32.684 35.622 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CG . . . . . . . . . rr_6v4i 1
. 9 . 941 . 1 1 3 . CZ C -31.782 -30.360 37.058 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CZ . . . . . . . . . rr_6v4i 1
. 9 . 942 . 1 1 3 . HA H -29.564 -33.074 33.505 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HA . . . . . . . . . rr_6v4i 1
. 9 . 943 . 1 1 3 . HB1 H -30.256 -34.517 35.405 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB1 . . . . . . . . . rr_6v4i 1
. 9 . 944 . 1 1 3 . HB2 H -31.902 -34.505 34.787 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB2 . . . . . . . . . rr_6v4i 1
. 9 . 945 . 1 1 3 . HC1 H -33.061 -33.840 33.610 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC1 . . . . . . . . . rr_6v4i 1
. 9 . 946 . 1 1 3 . HC2 H -33.464 -33.107 32.064 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC2 . . . . . . . . . rr_6v4i 1
. 9 . 947 . 1 1 3 . HC3 H -33.130 -32.087 33.461 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC3 . . . . . . . . . rr_6v4i 1
. 9 . 948 . 1 1 3 . HD1 H -29.637 -31.593 34.770 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD1 . . . . . . . . . rr_6v4i 1
. 9 . 949 . 1 1 3 . HD2 H -32.950 -33.495 36.647 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD2 . . . . . . . . . rr_6v4i 1
. 9 . 950 . 1 1 3 . HE1 H -30.093 -29.537 36.039 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE1 . . . . . . . . . rr_6v4i 1
. 9 . 951 . 1 1 3 . HE2 H -33.412 -31.442 37.919 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE2 . . . . . . . . . rr_6v4i 1
. 9 . 952 . 1 1 3 . HZ H -31.984 -29.458 37.615 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HZ . . . . . . . . . rr_6v4i 1
. 9 . 953 . 1 1 3 . N N -31.411 -32.976 32.591 . . . 1.0 . . . . . . . . . . . . A . 2 MEA N . . . . . . . . . rr_6v4i 1
. 9 . 954 . 1 1 3 . O O -30.868 -35.712 32.198 . . . 1.0 . . . . . . . . . . . . A . 2 MEA O . . . . . . . . . rr_6v4i 1
. 9 . 955 . 1 1 4 PRO C C -27.057 -33.583 32.709 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6v4i 1
. 9 . 956 . 1 1 4 PRO CA C -27.730 -34.622 33.608 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6v4i 1
. 9 . 957 . 1 1 4 PRO CB C -26.713 -35.685 34.052 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6v4i 1
. 9 . 958 . 1 1 4 PRO CD C -28.180 -36.634 32.373 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6v4i 1
. 9 . 959 . 1 1 4 PRO CG C -27.118 -36.970 33.386 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6v4i 1
. 9 . 960 . 1 1 4 PRO HA H -28.139 -34.130 34.477 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6v4i 1
. 9 . 961 . 1 1 4 PRO HB2 H -25.722 -35.383 33.745 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6v4i 1
. 9 . 962 . 1 1 4 PRO HB3 H -26.743 -35.777 35.128 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6v4i 1
. 9 . 963 . 1 1 4 PRO HD2 H -27.738 -36.466 31.401 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6v4i 1
. 9 . 964 . 1 1 4 PRO HD3 H -28.922 -37.417 32.325 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6v4i 1
. 9 . 965 . 1 1 4 PRO HG2 H -26.264 -37.409 32.894 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6v4i 1
. 9 . 966 . 1 1 4 PRO HG3 H -27.512 -37.653 34.125 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6v4i 1
. 9 . 967 . 1 1 4 PRO N N -28.750 -35.402 32.910 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6v4i 1
. 9 . 968 . 1 1 4 PRO O O -26.019 -33.025 33.065 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6v4i 1
. 9 . 969 . 1 1 5 ILE C C -27.477 -30.920 31.037 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6v4i 1
. 9 . 970 . 1 1 5 ILE CA C -27.111 -32.347 30.608 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6v4i 1
. 9 . 971 . 1 1 5 ILE CB C -27.622 -32.621 29.172 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6v4i 1
. 9 . 972 . 1 1 5 ILE CD1 C -25.291 -33.208 28.337 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6v4i 1
. 9 . 973 . 1 1 5 ILE CG1 C -26.730 -33.654 28.484 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6v4i 1
. 9 . 974 . 1 1 5 ILE CG2 C -27.680 -31.341 28.350 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6v4i 1
. 9 . 975 . 1 1 5 ILE H H -28.480 -33.794 31.320 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6v4i 1
. 9 . 976 . 1 1 5 ILE HA H -26.037 -32.452 30.610 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6v4i 1
. 9 . 977 . 1 1 5 ILE HB H -28.623 -33.016 29.240 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6v4i 1
. 9 . 978 . 1 1 5 ILE HD11 H -24.656 -33.834 28.946 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6v4i 1
. 9 . 979 . 1 1 5 ILE HD12 H -25.199 -32.181 28.658 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6v4i 1
. 9 . 980 . 1 1 5 ILE HD13 H -24.993 -33.290 27.302 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6v4i 1
. 9 . 981 . 1 1 5 ILE HG12 H -26.735 -34.567 29.062 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6v4i 1
. 9 . 982 . 1 1 5 ILE HG13 H -27.118 -33.856 27.497 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6v4i 1
. 9 . 983 . 1 1 5 ILE HG21 H -26.748 -30.806 28.450 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6v4i 1
. 9 . 984 . 1 1 5 ILE HG22 H -28.491 -30.722 28.705 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6v4i 1
. 9 . 985 . 1 1 5 ILE HG23 H -27.845 -31.588 27.311 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6v4i 1
. 9 . 986 . 1 1 5 ILE N N -27.653 -33.322 31.549 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6v4i 1
. 9 . 987 . 1 1 5 ILE O O -28.652 -30.605 31.231 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6v4i 1
. 9 . 988 . 1 1 6 PRO C C -27.618 -27.864 30.708 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . rr_6v4i 1
. 9 . 989 . 1 1 6 PRO CA C -26.685 -28.646 31.627 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . rr_6v4i 1
. 9 . 990 . 1 1 6 PRO CB C -25.281 -28.035 31.594 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . rr_6v4i 1
. 9 . 991 . 1 1 6 PRO CD C -25.036 -30.333 31.009 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . rr_6v4i 1
. 9 . 992 . 1 1 6 PRO CG C -24.355 -29.194 31.710 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . rr_6v4i 1
. 9 . 993 . 1 1 6 PRO HA H -27.068 -28.602 32.631 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . rr_6v4i 1
. 9 . 994 . 1 1 6 PRO HB2 H -25.139 -27.507 30.662 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . rr_6v4i 1
. 9 . 995 . 1 1 6 PRO HB3 H -25.163 -27.352 32.422 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . rr_6v4i 1
. 9 . 996 . 1 1 6 PRO HD2 H -24.780 -30.339 29.960 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . rr_6v4i 1
. 9 . 997 . 1 1 6 PRO HD3 H -24.769 -31.272 31.470 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . rr_6v4i 1
. 9 . 998 . 1 1 6 PRO HG2 H -23.416 -28.964 31.229 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . rr_6v4i 1
. 9 . 999 . 1 1 6 PRO HG3 H -24.197 -29.435 32.751 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . rr_6v4i 1
. 9 . 1000 . 1 1 6 PRO N N -26.469 -30.039 31.203 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . rr_6v4i 1
. 9 . 1001 . 1 1 6 PRO O O -28.597 -27.274 31.163 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . rr_6v4i 1
. 9 . 1002 . 1 1 7 . CA C -28.090 -27.115 28.427 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CA . . . . . . . . . rr_6v4i 1
. 9 . 1003 . 1 1 7 . CB C -27.660 -27.455 26.985 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB . . . . . . . . . rr_6v4i 1
. 9 . 1004 . 1 1 7 . CB1 C -29.562 -27.375 28.670 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB1 . . . . . . . . . rr_6v4i 1
. 9 . 1005 . 1 1 7 . CD1 C -28.436 -29.150 25.253 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD1 . . . . . . . . . rr_6v4i 1
. 9 . 1006 . 1 1 7 . CD2 C -31.970 -27.241 28.906 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD2 . . . . . . . . . rr_6v4i 1
. 9 . 1007 . 1 1 7 . CD3 C -31.418 -28.430 29.231 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD3 . . . . . . . . . rr_6v4i 1
. 9 . 1008 . 1 1 7 . CG1 C -27.952 -28.923 26.668 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG1 . . . . . . . . . rr_6v4i 1
. 9 . 1009 . 1 1 7 . CG2 C -26.182 -27.149 26.788 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG2 . . . . . . . . . rr_6v4i 1
. 9 . 1010 . 1 1 7 . CJ C -32.195 -29.597 29.715 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CJ . . . . . . . . . rr_6v4i 1
. 9 . 1011 . 1 1 7 . H1 H -26.493 -28.324 29.127 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ H1 . . . . . . . . . rr_6v4i 1
. 9 . 1012 . 1 1 7 . HA H -27.931 -26.057 28.589 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HA . . . . . . . . . rr_6v4i 1
. 9 . 1013 . 1 1 7 . HB H -28.223 -26.830 26.309 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HB . . . . . . . . . rr_6v4i 1
. 9 . 1014 . 1 1 7 . HD11 H -28.659 -28.200 24.792 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD11 . . . . . . . . . rr_6v4i 1
. 9 . 1015 . 1 1 7 . HD12 H -29.328 -29.760 25.271 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD12 . . . . . . . . . rr_6v4i 1
. 9 . 1016 . 1 1 7 . HD13 H -27.667 -29.654 24.686 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD13 . . . . . . . . . rr_6v4i 1
. 9 . 1017 . 1 1 7 . HG11 H -28.713 -29.287 27.343 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG11 . . . . . . . . . rr_6v4i 1
. 9 . 1018 . 1 1 7 . HG12 H -27.050 -29.500 26.806 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG12 . . . . . . . . . rr_6v4i 1
. 9 . 1019 . 1 1 7 . HG21 H -25.685 -27.143 27.746 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG21 . . . . . . . . . rr_6v4i 1
. 9 . 1020 . 1 1 7 . HG22 H -26.074 -26.182 26.320 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG22 . . . . . . . . . rr_6v4i 1
. 9 . 1021 . 1 1 7 . HG23 H -25.739 -27.906 26.157 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG23 . . . . . . . . . rr_6v4i 1
. 9 . 1022 . 1 1 7 . HQ H -32.887 -27.023 28.942 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HQ . . . . . . . . . rr_6v4i 1
. 9 . 1023 . 1 1 7 . N N -27.295 -27.845 29.418 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ N . . . . . . . . . rr_6v4i 1
. 9 . 1024 . 1 1 7 . NG1 N -30.043 -28.509 29.095 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ NG1 . . . . . . . . . rr_6v4i 1
. 9 . 1025 . 1 1 7 . O O -33.415 -29.543 29.857 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ O . . . . . . . . . rr_6v4i 1
. 9 . 1026 . 1 1 7 . SG1 S -30.759 -26.146 28.406 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ SG1 . . . . . . . . . rr_6v4i 1
. 10 . 1027 . 1 1 2 . C C -31.037 -32.908 31.386 . . . 1.0 . . . . . . . . . . . . A . 1 TBG C . . . . . . . . . rr_6v4i 1
. 10 . 1028 . 1 1 2 . CA C -31.976 -32.147 30.439 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CA . . . . . . . . . rr_6v4i 1
. 10 . 1029 . 1 1 2 . CB C -32.385 -33.067 29.268 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CB . . . . . . . . . rr_6v4i 1
. 10 . 1030 . 1 1 2 . CG1 C -31.143 -33.460 28.478 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG1 . . . . . . . . . rr_6v4i 1
. 10 . 1031 . 1 1 2 . CG2 C -33.340 -32.319 28.353 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG2 . . . . . . . . . rr_6v4i 1
. 10 . 1032 . 1 1 2 . CG3 C -33.079 -34.310 29.812 . . . 1.0 . . . . . . . . . . . . A . 1 TBG CG3 . . . . . . . . . rr_6v4i 1
. 10 . 1033 . 1 1 2 . H H -30.378 -30.885 29.844 . . . 1.0 . . . . . . . . . . . . A . 1 TBG H . . . . . . . . . rr_6v4i 1
. 10 . 1034 . 1 1 2 . HA H -32.864 -31.862 30.971 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HA . . . . . . . . . rr_6v4i 1
. 10 . 1035 . 1 1 2 . HG11 H -30.603 -34.226 29.014 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG11 . . . . . . . . . rr_6v4i 1
. 10 . 1036 . 1 1 2 . HG12 H -30.510 -32.595 28.350 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG12 . . . . . . . . . rr_6v4i 1
. 10 . 1037 . 1 1 2 . HG13 H -31.437 -33.838 27.510 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG13 . . . . . . . . . rr_6v4i 1
. 10 . 1038 . 1 1 2 . HG21 H -33.732 -32.996 27.609 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG21 . . . . . . . . . rr_6v4i 1
. 10 . 1039 . 1 1 2 . HG22 H -32.812 -31.513 27.864 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG22 . . . . . . . . . rr_6v4i 1
. 10 . 1040 . 1 1 2 . HG23 H -34.154 -31.914 28.936 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG23 . . . . . . . . . rr_6v4i 1
. 10 . 1041 . 1 1 2 . HG31 H -33.280 -34.994 29.000 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG31 . . . . . . . . . rr_6v4i 1
. 10 . 1042 . 1 1 2 . HG32 H -34.008 -34.027 30.283 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG32 . . . . . . . . . rr_6v4i 1
. 10 . 1043 . 1 1 2 . HG33 H -32.439 -34.791 30.537 . . . 1.0 . . . . . . . . . . . . A . 1 TBG HG33 . . . . . . . . . rr_6v4i 1
. 10 . 1044 . 1 1 2 . N N -31.352 -30.925 29.946 . . . 1.0 . . . . . . . . . . . . A . 1 TBG N . . . . . . . . . rr_6v4i 1
. 10 . 1045 . 1 1 2 . O O -29.970 -33.346 30.967 . . . 1.0 . . . . . . . . . . . . A . 1 TBG O . . . . . . . . . rr_6v4i 1
. 10 . 1046 . 1 1 3 . C C -30.247 -35.203 33.087 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C . . . . . . . . . rr_6v4i 1
. 10 . 1047 . 1 1 3 . C1 C -32.889 -33.109 32.929 . . . 1.0 . . . . . . . . . . . . A . 2 MEA C1 . . . . . . . . . rr_6v4i 1
. 10 . 1048 . 1 1 3 . CA C -30.508 -33.778 33.582 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CA . . . . . . . . . rr_6v4i 1
. 10 . 1049 . 1 1 3 . CB C -31.059 -33.819 35.015 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CB . . . . . . . . . rr_6v4i 1
. 10 . 1050 . 1 1 3 . CD1 C -30.413 -32.524 37.063 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD1 . . . . . . . . . rr_6v4i 1
. 10 . 1051 . 1 1 3 . CD2 C -31.238 -31.317 35.179 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CD2 . . . . . . . . . rr_6v4i 1
. 10 . 1052 . 1 1 3 . CE1 C -30.266 -31.341 37.762 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE1 . . . . . . . . . rr_6v4i 1
. 10 . 1053 . 1 1 3 . CE2 C -31.093 -30.130 35.873 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CE2 . . . . . . . . . rr_6v4i 1
. 10 . 1054 . 1 1 3 . CG C -30.900 -32.526 35.766 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CG . . . . . . . . . rr_6v4i 1
. 10 . 1055 . 1 1 3 . CZ C -30.607 -30.143 37.166 . . . 1.0 . . . . . . . . . . . . A . 2 MEA CZ . . . . . . . . . rr_6v4i 1
. 10 . 1056 . 1 1 3 . HA H -29.575 -33.240 33.588 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HA . . . . . . . . . rr_6v4i 1
. 10 . 1057 . 1 1 3 . HB1 H -30.536 -34.586 35.567 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB1 . . . . . . . . . rr_6v4i 1
. 10 . 1058 . 1 1 3 . HB2 H -32.109 -34.061 34.991 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HB2 . . . . . . . . . rr_6v4i 1
. 10 . 1059 . 1 1 3 . HC1 H -33.200 -32.182 33.388 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC1 . . . . . . . . . rr_6v4i 1
. 10 . 1060 . 1 1 3 . HC2 H -33.114 -33.931 33.591 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC2 . . . . . . . . . rr_6v4i 1
. 10 . 1061 . 1 1 3 . HC3 H -33.422 -33.247 32.003 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HC3 . . . . . . . . . rr_6v4i 1
. 10 . 1062 . 1 1 3 . HD1 H -30.145 -33.461 37.529 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD1 . . . . . . . . . rr_6v4i 1
. 10 . 1063 . 1 1 3 . HD2 H -31.618 -31.305 34.169 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HD2 . . . . . . . . . rr_6v4i 1
. 10 . 1064 . 1 1 3 . HE1 H -29.886 -31.354 38.773 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE1 . . . . . . . . . rr_6v4i 1
. 10 . 1065 . 1 1 3 . HE2 H -31.361 -29.194 35.406 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HE2 . . . . . . . . . rr_6v4i 1
. 10 . 1066 . 1 1 3 . HZ H -30.493 -29.217 37.711 . . . 1.0 . . . . . . . . . . . . A . 2 MEA HZ . . . . . . . . . rr_6v4i 1
. 10 . 1067 . 1 1 3 . N N -31.411 -33.067 32.666 . . . 1.0 . . . . . . . . . . . . A . 2 MEA N . . . . . . . . . rr_6v4i 1
. 10 . 1068 . 1 1 3 . O O -31.188 -35.941 32.796 . . . 1.0 . . . . . . . . . . . . A . 2 MEA O . . . . . . . . . rr_6v4i 1
. 10 . 1069 . 1 1 4 PRO C C -27.226 -34.043 32.100 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6v4i 1
. 10 . 1070 . 1 1 4 PRO CA C -27.798 -34.795 33.305 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6v4i 1
. 10 . 1071 . 1 1 4 PRO CB C -26.804 -35.846 33.784 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6v4i 1
. 10 . 1072 . 1 1 4 PRO CD C -28.548 -36.959 32.528 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6v4i 1
. 10 . 1073 . 1 1 4 PRO CG C -27.096 -37.050 32.945 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6v4i 1
. 10 . 1074 . 1 1 4 PRO HA H -28.006 -34.102 34.105 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6v4i 1
. 10 . 1075 . 1 1 4 PRO HB2 H -25.797 -35.489 33.629 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6v4i 1
. 10 . 1076 . 1 1 4 PRO HB3 H -26.965 -36.048 34.832 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6v4i 1
. 10 . 1077 . 1 1 4 PRO HD2 H -28.638 -37.050 31.455 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6v4i 1
. 10 . 1078 . 1 1 4 PRO HD3 H -29.128 -37.726 33.020 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6v4i 1
. 10 . 1079 . 1 1 4 PRO HG2 H -26.459 -37.049 32.073 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6v4i 1
. 10 . 1080 . 1 1 4 PRO HG3 H -26.930 -37.946 33.525 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6v4i 1
. 10 . 1081 . 1 1 4 PRO N N -28.964 -35.618 32.976 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6v4i 1
. 10 . 1082 . 1 1 4 PRO O O -26.346 -34.550 31.407 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6v4i 1
. 10 . 1083 . 1 1 5 ILE C C -27.469 -30.522 31.058 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6v4i 1
. 10 . 1084 . 1 1 5 ILE CA C -27.249 -32.006 30.754 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6v4i 1
. 10 . 1085 . 1 1 5 ILE CB C -27.962 -32.370 29.428 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6v4i 1
. 10 . 1086 . 1 1 5 ILE CD1 C -26.071 -33.900 28.673 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6v4i 1
. 10 . 1087 . 1 1 5 ILE CG1 C -27.551 -33.770 28.964 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6v4i 1
. 10 . 1088 . 1 1 5 ILE CG2 C -27.655 -31.346 28.346 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6v4i 1
. 10 . 1089 . 1 1 5 ILE H H -28.414 -32.474 32.455 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6v4i 1
. 10 . 1090 . 1 1 5 ILE HA H -26.192 -32.188 30.631 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6v4i 1
. 10 . 1091 . 1 1 5 ILE HB H -29.024 -32.355 29.601 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6v4i 1
. 10 . 1092 . 1 1 5 ILE HD11 H -25.931 -34.183 27.640 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6v4i 1
. 10 . 1093 . 1 1 5 ILE HD12 H -25.642 -34.656 29.314 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6v4i 1
. 10 . 1094 . 1 1 5 ILE HD13 H -25.583 -32.954 28.856 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6v4i 1
. 10 . 1095 . 1 1 5 ILE HG12 H -27.803 -34.486 29.730 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6v4i 1
. 10 . 1096 . 1 1 5 ILE HG13 H -28.089 -34.013 28.059 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6v4i 1
. 10 . 1097 . 1 1 5 ILE HG21 H -26.594 -31.331 28.155 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6v4i 1
. 10 . 1098 . 1 1 5 ILE HG22 H -27.978 -30.370 28.675 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6v4i 1
. 10 . 1099 . 1 1 5 ILE HG23 H -28.181 -31.612 27.441 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6v4i 1
. 10 . 1100 . 1 1 5 ILE N N -27.720 -32.829 31.864 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6v4i 1
. 10 . 1101 . 1 1 5 ILE O O -28.606 -30.049 31.077 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6v4i 1
. 10 . 1102 . 1 1 6 PRO C C -27.350 -27.570 30.628 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . rr_6v4i 1
. 10 . 1103 . 1 1 6 PRO CA C -26.466 -28.333 31.608 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . rr_6v4i 1
. 10 . 1104 . 1 1 6 PRO CB C -25.015 -27.865 31.496 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . rr_6v4i 1
. 10 . 1105 . 1 1 6 PRO CD C -24.985 -30.246 31.303 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . rr_6v4i 1
. 10 . 1106 . 1 1 6 PRO CG C -24.207 -29.070 31.827 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . rr_6v4i 1
. 10 . 1107 . 1 1 6 PRO HA H -26.823 -28.166 32.611 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . rr_6v4i 1
. 10 . 1108 . 1 1 6 PRO HB2 H -24.822 -27.521 30.490 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . rr_6v4i 1
. 10 . 1109 . 1 1 6 PRO HB3 H -24.836 -27.064 32.197 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . rr_6v4i 1
. 10 . 1110 . 1 1 6 PRO HD2 H -24.662 -30.495 30.302 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . rr_6v4i 1
. 10 . 1111 . 1 1 6 PRO HD3 H -24.871 -31.097 31.959 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . rr_6v4i 1
. 10 . 1112 . 1 1 6 PRO HG2 H -23.244 -29.011 31.342 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . rr_6v4i 1
. 10 . 1113 . 1 1 6 PRO HG3 H -24.085 -29.149 32.897 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . rr_6v4i 1
. 10 . 1114 . 1 1 6 PRO N N -26.382 -29.766 31.302 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . rr_6v4i 1
. 10 . 1115 . 1 1 6 PRO O O -28.096 -26.673 31.021 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . rr_6v4i 1
. 10 . 1116 . 1 1 7 . CA C -28.049 -27.268 28.321 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CA . . . . . . . . . rr_6v4i 1
. 10 . 1117 . 1 1 7 . CB C -27.571 -27.655 26.899 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB . . . . . . . . . rr_6v4i 1
. 10 . 1118 . 1 1 7 . CB1 C -29.513 -27.568 28.567 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CB1 . . . . . . . . . rr_6v4i 1
. 10 . 1119 . 1 1 7 . CD1 C -27.037 -26.642 24.626 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD1 . . . . . . . . . rr_6v4i 1
. 10 . 1120 . 1 1 7 . CD2 C -31.924 -27.511 28.774 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD2 . . . . . . . . . rr_6v4i 1
. 10 . 1121 . 1 1 7 . CD3 C -31.337 -28.673 29.138 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CD3 . . . . . . . . . rr_6v4i 1
. 10 . 1122 . 1 1 7 . CG1 C -27.772 -26.482 25.939 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG1 . . . . . . . . . rr_6v4i 1
. 10 . 1123 . 1 1 7 . CG2 C -28.296 -28.895 26.383 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CG2 . . . . . . . . . rr_6v4i 1
. 10 . 1124 . 1 1 7 . CJ C -32.092 -29.853 29.630 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ CJ . . . . . . . . . rr_6v4i 1
. 10 . 1125 . 1 1 7 . H1 H -26.644 -28.645 29.104 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ H1 . . . . . . . . . rr_6v4i 1
. 10 . 1126 . 1 1 7 . HA H -27.928 -26.200 28.443 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HA . . . . . . . . . rr_6v4i 1
. 10 . 1127 . 1 1 7 . HB H -26.518 -27.886 26.952 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HB . . . . . . . . . rr_6v4i 1
. 10 . 1128 . 1 1 7 . HD11 H -27.672 -26.316 23.816 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD11 . . . . . . . . . rr_6v4i 1
. 10 . 1129 . 1 1 7 . HD12 H -26.777 -27.681 24.484 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD12 . . . . . . . . . rr_6v4i 1
. 10 . 1130 . 1 1 7 . HD13 H -26.137 -26.045 24.642 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HD13 . . . . . . . . . rr_6v4i 1
. 10 . 1131 . 1 1 7 . HG11 H -27.418 -25.576 26.409 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG11 . . . . . . . . . rr_6v4i 1
. 10 . 1132 . 1 1 7 . HG12 H -28.824 -26.380 25.719 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG12 . . . . . . . . . rr_6v4i 1
. 10 . 1133 . 1 1 7 . HG21 H -27.595 -29.533 25.866 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG21 . . . . . . . . . rr_6v4i 1
. 10 . 1134 . 1 1 7 . HG22 H -29.079 -28.596 25.702 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG22 . . . . . . . . . rr_6v4i 1
. 10 . 1135 . 1 1 7 . HG23 H -28.728 -29.433 27.211 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HG23 . . . . . . . . . rr_6v4i 1
. 10 . 1136 . 1 1 7 . HQ H -32.848 -27.323 28.794 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ HQ . . . . . . . . . rr_6v4i 1
. 10 . 1137 . 1 1 7 . N N -27.259 -27.926 29.354 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ N . . . . . . . . . rr_6v4i 1
. 10 . 1138 . 1 1 7 . NG1 N -29.959 -28.707 29.021 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ NG1 . . . . . . . . . rr_6v4i 1
. 10 . 1139 . 1 1 7 . O O -33.317 -29.827 29.731 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ O . . . . . . . . . rr_6v4i 1
. 10 . 1140 . 1 1 7 . SG1 S -30.747 -26.389 28.257 . . . 1.0 . . . . . . . . . . . . A . 6 ITZ SG1 . . . . . . . . . rr_6v4i 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_6v4i
_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 6v4i.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6v4i 1
1 6v4i.mr . . XPLOR/CNS 2 distance NOE simple 36 rr_6v4i 1
1 6v4i.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 4 rr_6v4i 1
1 6v4i.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6v4i 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_6v4i
_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: '6v4i'" . . . . distance "general distance" . 8 rr_6v4i 1
2 "From CCPN project: '6v4i'" . . . . distance "hydrogen bond" . 0 rr_6v4i 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 6v4i.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6v4i 1
1 6v4i.mr . . XPLOR/CNS 2 distance NOE simple 36 rr_6v4i 1
1 6v4i.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 4 rr_6v4i 1
1 6v4i.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6v4i 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_6v4i
_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_6v4i 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 5 5 ILE H H . . . 1 1 4 4 PRO HA H . . . . . 0.0 0.0 5.0 . . . . . A . 4 ILE H . . A . 3 PRO HA . . . 4 . HN . . . . . 3 . HA . . rr_6v4i 1
2 1 . . 1 1 5 5 ILE H H . . . 1 1 4 4 PRO HD3 H . . . . . 0.0 0.0 6.0 . . . . . A . 4 ILE H . . A . 3 PRO HD3 . . . 4 . HN . . . . . 3 . HD1 . . rr_6v4i 1
3 1 . . 1 1 4 4 PRO HA H . . . 1 1 5 5 ILE HA H . . . . . 0.0 0.0 6.0 . . . . . A . 3 PRO HA . . A . 4 ILE HA . . . 3 . HA . . . . . 4 . HA . . rr_6v4i 1
4 1 OR . 1 1 5 5 ILE HA H . . . 1 1 6 6 PRO HD2 H . . . . . 0.0 0.0 4.0 . . . . . A . 4 ILE HA . . A . 5 PRO HD2 . . . 4 . HA . . . . . 5 . HD* . . rr_6v4i 1
4 2 OR . 1 1 5 5 ILE HA H . . . 1 1 6 6 PRO HD3 H . . . . . 0.0 0.0 4.0 . . . . . A . 4 ILE HA . . A . 5 PRO HD3 . . . 4 . HA . . . . . 5 . HD* . . rr_6v4i 1
5 1 OR . 1 1 5 5 ILE HB H . . . 1 1 6 6 PRO HD2 H . . . . . 0.0 0.0 6.0 . . . . . A . 4 ILE HB . . A . 5 PRO HD2 . . . 4 . HB . . . . . 5 . HD* . . rr_6v4i 1
5 2 OR . 1 1 5 5 ILE HB H . . . 1 1 6 6 PRO HD3 H . . . . . 0.0 0.0 6.0 . . . . . A . 4 ILE HB . . A . 5 PRO HD3 . . . 4 . HB . . . . . 5 . HD* . . rr_6v4i 1
6 1 OR . 1 1 5 5 ILE MG H . . . 1 1 6 6 PRO HD2 H . . . . . 0.0 0.0 6.0 . . . . . A . 4 ILE MG . . A . 5 PRO HD2 . . . 4 . HG2* . . . . . 5 . HD* . . rr_6v4i 1
6 2 OR . 1 1 5 5 ILE MG H . . . 1 1 6 6 PRO HD3 H . . . . . 0.0 0.0 6.0 . . . . . A . 4 ILE MG . . A . 5 PRO HD3 . . . 4 . HG2* . . . . . 5 . HD* . . rr_6v4i 1
7 1 OR . 1 1 5 5 ILE MG H . . . 1 1 6 6 PRO HG2 H . . . . . 0.0 0.0 6.0 . . . . . A . 4 ILE MG . . A . 5 PRO HG2 . . . 4 . HG2* . . . . . 5 . HG* . . rr_6v4i 1
7 2 OR . 1 1 5 5 ILE MG H . . . 1 1 6 6 PRO HG3 H . . . . . 0.0 0.0 6.0 . . . . . A . 4 ILE MG . . A . 5 PRO HG3 . . . 4 . HG2* . . . . . 5 . HG* . . rr_6v4i 1
8 1 OR . 1 1 5 5 ILE MD H . . . 1 1 6 6 PRO HG2 H . . . . . 0.0 0.0 7.0 . . . . . A . 4 ILE MD . . A . 5 PRO HG2 . . . 4 . HD1* . . . . . 5 . HG* . . rr_6v4i 1
8 2 OR . 1 1 6 6 PRO HG3 H . . . 1 1 5 5 ILE MD H . . . . . 0.0 0.0 7.0 . . . . . A . 5 PRO HG3 . . A . 4 ILE MD . . . 5 . HG* . . . . . 4 . HD1* . . rr_6v4i 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: DanD_noetable15.tbl" 1 1 1 40 rr_6v4i 1
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1
;DanD in DMSO cyclic NOE Assignment Table (from visual inspection)
t-butG F P I P ITZ 10(S) 9-7(M) 6-4 (W) and 3-1 (vW)
t-butG1
;
2 1 6 9 rr_6v4i 1
2 "(13)s + 1.5" 7 83 7 96 rr_6v4i 1
3 "1 VW" 8 83 8 89 rr_6v4i 1
4 "1 vw" 9 83 9 89 rr_6v4i 1
5 "4 w" 10 83 10 88 rr_6v4i 1
6 "1 vw" 11 83 11 89 rr_6v4i 1
7 "2 vw" 12 83 12 89 rr_6v4i 1
8 "2 vw" 13 83 13 89 rr_6v4i 1
9 "2 vw" 14 83 14 89 rr_6v4i 1
10 "6 w" 15 83 15 88 rr_6v4i 1
11
;2 vw
F2
;
16 83 19 4 rr_6v4i 1
12 (9)M 20 83 20 89 rr_6v4i 1
13 "4 w" 21 83 21 89 rr_6v4i 1
14 "10 s + 1" 22 83 22 94 rr_6v4i 1
15
;9 m + 1
assi(resi 2 and name HE* )(resi 3 and name HA ) 0.0 0.0 6.0 ! 5 w +1
assi(resi 2 and name HE* )(resi 6 and name HD* ) 0.0 0.0 6.0 ! 6 w +1
assi(resi 2 and name HD* )(resi 6 and name HD* ) 0.0 0.0 7.0 ! 2 vw
;
23 83 26 90 rr_6v4i 1
16 2,2 27 83 27 88 rr_6v4i 1
17 "13,13 to m" 28 83 28 95 rr_6v4i 1
18 "3 vw" 29 83 29 89 rr_6v4i 1
19 "3 vw" 30 83 30 89 rr_6v4i 1
20 (1)vw 31 83 31 90 rr_6v4i 1
21
;(12)S, CIS AMIDE BOND to m
assi(resi 2 and name HI* )(resi 6 and name HA ) 0.0 0.0 6.0 ! 1
;
32 83 33 86 rr_6v4i 1
22 "6 to vw" 34 83 34 92 rr_6v4i 1
23
;10
P3
;
35 83 38 4 rr_6v4i 1
24 (6)W 39 83 39 89 rr_6v4i 1
25 "4 VW" 40 83 40 89 rr_6v4i 1
26
;2 VW
I4
;
41 83 47 4 rr_6v4i 1
27 "3 vW" 48 83 48 89 rr_6v4i 1
28 "3 vW" 49 83 49 89 rr_6v4i 1
29 "4 vW" 50 83 50 89 rr_6v4i 1
30 "12 s" 51 83 51 89 rr_6v4i 1
31 "6 W" 52 83 52 88 rr_6v4i 1
32 "7 W" 53 83 53 88 rr_6v4i 1
33 "3 vW" 54 83 54 89 rr_6v4i 1
34 "1 vW" 55 83 55 89 rr_6v4i 1
35
;3 vW
P5
;
56 83 60 4 rr_6v4i 1
36 11 62 83 62 87 rr_6v4i 1
37
;5 w
ITZ6
;
63 83 65 6 rr_6v4i 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) ' .1.HA' (nmrStar names),' .2.HI*' (nmrStar names) not linked" rr_6v4i 1
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .1.HN' (nmrStar names),' .2.HA' (nmrStar names) not linked" rr_6v4i 1
3 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" rr_6v4i 1
4 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" rr_6v4i 1
5 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" rr_6v4i 1
6 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" rr_6v4i 1
7 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .1.HN' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_6v4i 1
8 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .1.HA' (nmrStar names) not linked" rr_6v4i 1
9 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .2.HA' (nmrStar names),' .1.HG**' (nmrStar names) not linked" rr_6v4i 1
10 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .1.HG**' (nmrStar names) not linked" rr_6v4i 1
11 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .1.HG**' (nmrStar names) not linked" rr_6v4i 1
12 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .1.HG**' (nmrStar names) not linked" rr_6v4i 1
13 2 11 1 "Not handling restraint 11, item 1, resonance(s) ' .2.HA' (nmrStar names) not linked" rr_6v4i 1
14 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HE*' (nmrStar names) not linked" rr_6v4i 1
15 2 13 1 "Not handling restraint 13, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HD*' (nmrStar names) not linked" rr_6v4i 1
16 2 14 1 "Not handling restraint 14, item 1, resonance(s) ' .2.HD*' (nmrStar names) not linked" rr_6v4i 1
17 2 15 1 "Not handling restraint 15, item 1, resonance(s) ' .2.HE*' (nmrStar names),' .2.HB*' (nmrStar names) not linked" rr_6v4i 1
18 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .2.HD*' (nmrStar names),' .2.HB*' (nmrStar names) not linked" rr_6v4i 1
19 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .2.HE*' (nmrStar names) not linked" rr_6v4i 1
20 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .2.HD*' (nmrStar names) not linked" rr_6v4i 1
21 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .1.HN' (nmrStar names),' .2.HA' (nmrStar names) not linked" rr_6v4i 1
22 2 20 1 "Not handling restraint 20, item 1, resonance(s) ' .2.HA' (nmrStar names) not linked" rr_6v4i 1
23 2 21 1 "Not handling restraint 21, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HB1' (nmrStar names) not linked" rr_6v4i 1
24 2 22 1 "Not handling restraint 22, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HB2' (nmrStar names) not linked" rr_6v4i 1
25 2 26 1 "Not handling restraint 26, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_6v4i 1
26 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_6v4i 1
27 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_6v4i 1
28 2 28 1 "Not handling restraint 28, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_6v4i 1
29 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .6.HG2*' (nmrStar names) not linked" rr_6v4i 1
30 2 35 1 "Not handling restraint 35, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_6v4i 1
31 2 36 1 "Not handling restraint 36, item 1, resonance(s) ' .6.HA' (nmrStar names) not linked" rr_6v4i 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_6v4i
_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_6v4i 2
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 H-Bonds 1 1 1 9 rr_6v4i 2
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 3 1 1 "Not handling restraint 1, item 1, resonance(s) ' .1.O' (nmrStar names) not linked" rr_6v4i 2
2 3 2 1 "Not handling restraint 2, item 1, resonance(s) ' .1.O' (nmrStar names) not linked" rr_6v4i 2
3 3 3 1 "Not handling restraint 3, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" rr_6v4i 2
4 3 4 1 "Not handling restraint 4, item 1, resonance(s) ' .1.N' (nmrStar names) not linked" rr_6v4i 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_6v4i
_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_6v4i 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_6v4i 1
2 1 . . . rr_6v4i 1
3 1 . . . rr_6v4i 1
4 1 2 . OR rr_6v4i 1
4 2 . 3 . rr_6v4i 1
4 3 . . . rr_6v4i 1
5 1 2 . OR rr_6v4i 1
5 2 . 3 . rr_6v4i 1
5 3 . . . rr_6v4i 1
6 1 2 . OR rr_6v4i 1
6 2 . 3 . rr_6v4i 1
6 3 . . . rr_6v4i 1
7 1 2 . OR rr_6v4i 1
7 2 . 3 . rr_6v4i 1
7 3 . . . rr_6v4i 1
8 1 2 . OR rr_6v4i 1
8 2 . 3 . rr_6v4i 1
8 3 . . . rr_6v4i 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 PRO HA H . . . . 3 . HA rr_6v4i 1
1 1 . 2 . 1 1 5 5 ILE H H . . . . 4 . HN rr_6v4i 1
2 1 . 1 . 1 1 4 4 PRO HD3 H . . . . 3 . HD1 rr_6v4i 1
2 1 . 2 . 1 1 5 5 ILE H H . . . . 4 . HN rr_6v4i 1
3 1 . 1 . 1 1 4 4 PRO HA H . . . . 3 . HA rr_6v4i 1
3 1 . 2 . 1 1 5 5 ILE HA H . . . . 4 . HA rr_6v4i 1
4 2 . 1 . 1 1 5 5 ILE HA H . . . . 4 . HA rr_6v4i 1
4 2 . 2 . 1 1 6 6 PRO HD2 H . . . . 5 . HD* rr_6v4i 1
4 3 . 1 . 1 1 5 5 ILE HA H . . . . 4 . HA rr_6v4i 1
4 3 . 2 . 1 1 6 6 PRO HD3 H . . . . 5 . HD* rr_6v4i 1
5 2 . 1 . 1 1 5 5 ILE HB H . . . . 4 . HB rr_6v4i 1
5 2 . 2 . 1 1 6 6 PRO HD2 H . . . . 5 . HD* rr_6v4i 1
5 3 . 1 . 1 1 5 5 ILE HB H . . . . 4 . HB rr_6v4i 1
5 3 . 2 . 1 1 6 6 PRO HD3 H . . . . 5 . HD* rr_6v4i 1
6 2 . 1 . 1 1 5 5 ILE MG H . . . . 4 . HG2* rr_6v4i 1
6 2 . 2 . 1 1 6 6 PRO HD2 H . . . . 5 . HD* rr_6v4i 1
6 3 . 1 . 1 1 5 5 ILE MG H . . . . 4 . HG2* rr_6v4i 1
6 3 . 2 . 1 1 6 6 PRO HD3 H . . . . 5 . HD* rr_6v4i 1
7 2 . 1 . 1 1 5 5 ILE MG H . . . . 4 . HG2* rr_6v4i 1
7 2 . 2 . 1 1 6 6 PRO HG2 H . . . . 5 . HG* rr_6v4i 1
7 3 . 1 . 1 1 5 5 ILE MG H . . . . 4 . HG2* rr_6v4i 1
7 3 . 2 . 1 1 6 6 PRO HG3 H . . . . 5 . HG* rr_6v4i 1
8 2 . 1 . 1 1 5 5 ILE MD H . . . . 4 . HD1* rr_6v4i 1
8 2 . 2 . 1 1 6 6 PRO HG2 H . . . . 5 . HG* rr_6v4i 1
8 3 . 1 . 1 1 5 5 ILE MD H . . . . 4 . HD1* rr_6v4i 1
8 3 . 2 . 1 1 6 6 PRO HG3 H . . . . 5 . HG* rr_6v4i 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 . . . . . . 0.0 0.0 5.0 rr_6v4i 1
2 1 . . . . . . 0.0 0.0 6.0 rr_6v4i 1
3 1 . . . . . . 0.0 0.0 6.0 rr_6v4i 1
4 2 . . . . . . 0.0 0.0 4.0 rr_6v4i 1
4 3 . . . . . . 0.0 0.0 4.0 rr_6v4i 1
5 2 . . . . . . 0.0 0.0 6.0 rr_6v4i 1
5 3 . . . . . . 0.0 0.0 6.0 rr_6v4i 1
6 2 . . . . . . 0.0 0.0 6.0 rr_6v4i 1
6 3 . . . . . . 0.0 0.0 6.0 rr_6v4i 1
7 2 . . . . . . 0.0 0.0 6.0 rr_6v4i 1
7 3 . . . . . . 0.0 0.0 6.0 rr_6v4i 1
8 2 . . . . . . 0.0 0.0 7.0 rr_6v4i 1
8 3 . . . . . . 0.0 0.0 7.0 rr_6v4i 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: DanD_noetable15.tbl" 1 1 1 40 rr_6v4i 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;DanD in DMSO cyclic NOE Assignment Table (from visual inspection)
t-butG F P I P ITZ 10(S) 9-7(M) 6-4 (W) and 3-1 (vW)
t-butG1
;
2 1 6 9 rr_6v4i 1
2 "(13)s + 1.5" 7 83 7 96 rr_6v4i 1
3 "1 VW" 8 83 8 89 rr_6v4i 1
4 "1 vw" 9 83 9 89 rr_6v4i 1
5 "4 w" 10 83 10 88 rr_6v4i 1
6 "1 vw" 11 83 11 89 rr_6v4i 1
7 "2 vw" 12 83 12 89 rr_6v4i 1
8 "2 vw" 13 83 13 89 rr_6v4i 1
9 "2 vw" 14 83 14 89 rr_6v4i 1
10 "6 w" 15 83 15 88 rr_6v4i 1
11
;2 vw
F2
;
16 83 19 4 rr_6v4i 1
12 (9)M 20 83 20 89 rr_6v4i 1
13 "4 w" 21 83 21 89 rr_6v4i 1
14 "10 s + 1" 22 83 22 94 rr_6v4i 1
15
;9 m + 1
assi(resi 2 and name HE* )(resi 3 and name HA ) 0.0 0.0 6.0 ! 5 w +1
assi(resi 2 and name HE* )(resi 6 and name HD* ) 0.0 0.0 6.0 ! 6 w +1
assi(resi 2 and name HD* )(resi 6 and name HD* ) 0.0 0.0 7.0 ! 2 vw
;
23 83 26 90 rr_6v4i 1
16 2,2 27 83 27 88 rr_6v4i 1
17 "13,13 to m" 28 83 28 95 rr_6v4i 1
18 "3 vw" 29 83 29 89 rr_6v4i 1
19 "3 vw" 30 83 30 89 rr_6v4i 1
20 (1)vw 31 83 31 90 rr_6v4i 1
21
;(12)S, CIS AMIDE BOND to m
assi(resi 2 and name HI* )(resi 6 and name HA ) 0.0 0.0 6.0 ! 1
;
32 83 33 86 rr_6v4i 1
22 "6 to vw" 34 83 34 92 rr_6v4i 1
23
;10
P3
;
35 83 38 4 rr_6v4i 1
24 (6)W 39 83 39 89 rr_6v4i 1
25 "4 VW" 40 83 40 89 rr_6v4i 1
26
;2 VW
I4
;
41 83 47 4 rr_6v4i 1
27 "3 vW" 48 83 48 89 rr_6v4i 1
28 "3 vW" 49 83 49 89 rr_6v4i 1
29 "4 vW" 50 83 50 89 rr_6v4i 1
30 "12 s" 51 83 51 89 rr_6v4i 1
31 "6 W" 52 83 52 88 rr_6v4i 1
32 "7 W" 53 83 53 88 rr_6v4i 1
33 "3 vW" 54 83 54 89 rr_6v4i 1
34 "1 vW" 55 83 55 89 rr_6v4i 1
35
;3 vW
P5
;
56 83 60 4 rr_6v4i 1
36 11 62 83 62 87 rr_6v4i 1
37
;5 w
ITZ6
;
63 83 65 6 rr_6v4i 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) ' .1.HA' (nmrStar names),' .2.HI*' (nmrStar names) not linked" rr_6v4i 1
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .1.HN' (nmrStar names),' .2.HA' (nmrStar names) not linked" rr_6v4i 1
3 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" rr_6v4i 1
4 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" rr_6v4i 1
5 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" rr_6v4i 1
6 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" rr_6v4i 1
7 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .1.HN' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_6v4i 1
8 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .1.HA' (nmrStar names) not linked" rr_6v4i 1
9 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .2.HA' (nmrStar names),' .1.HG**' (nmrStar names) not linked" rr_6v4i 1
10 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .1.HG**' (nmrStar names) not linked" rr_6v4i 1
11 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .1.HG**' (nmrStar names) not linked" rr_6v4i 1
12 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .1.HG**' (nmrStar names) not linked" rr_6v4i 1
13 2 11 1 "Not handling restraint 11, item 1, resonance(s) ' .2.HA' (nmrStar names) not linked" rr_6v4i 1
14 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HE*' (nmrStar names) not linked" rr_6v4i 1
15 2 13 1 "Not handling restraint 13, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HD*' (nmrStar names) not linked" rr_6v4i 1
16 2 14 1 "Not handling restraint 14, item 1, resonance(s) ' .2.HD*' (nmrStar names) not linked" rr_6v4i 1
17 2 15 1 "Not handling restraint 15, item 1, resonance(s) ' .2.HE*' (nmrStar names),' .2.HB*' (nmrStar names) not linked" rr_6v4i 1
18 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .2.HD*' (nmrStar names),' .2.HB*' (nmrStar names) not linked" rr_6v4i 1
19 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .2.HE*' (nmrStar names) not linked" rr_6v4i 1
20 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .2.HD*' (nmrStar names) not linked" rr_6v4i 1
21 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .1.HN' (nmrStar names),' .2.HA' (nmrStar names) not linked" rr_6v4i 1
22 2 20 1 "Not handling restraint 20, item 1, resonance(s) ' .2.HA' (nmrStar names) not linked" rr_6v4i 1
23 2 21 1 "Not handling restraint 21, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HB1' (nmrStar names) not linked" rr_6v4i 1
24 2 22 1 "Not handling restraint 22, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HB2' (nmrStar names) not linked" rr_6v4i 1
25 2 26 1 "Not handling restraint 26, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_6v4i 1
26 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_6v4i 1
27 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_6v4i 1
28 2 28 1 "Not handling restraint 28, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_6v4i 1
29 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .6.HG2*' (nmrStar names) not linked" rr_6v4i 1
30 2 35 1 "Not handling restraint 35, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_6v4i 1
31 2 36 1 "Not handling restraint 36, item 1, resonance(s) ' .6.HA' (nmrStar names) not linked" rr_6v4i 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_6v4i
_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_6v4i 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 H-Bonds 1 1 1 9 rr_6v4i 2
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 3 1 1 "Not handling restraint 1, item 1, resonance(s) ' .1.O' (nmrStar names) not linked" rr_6v4i 2
2 3 2 1 "Not handling restraint 2, item 1, resonance(s) ' .1.O' (nmrStar names) not linked" rr_6v4i 2
3 3 3 1 "Not handling restraint 3, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" rr_6v4i 2
4 3 4 1 "Not handling restraint 4, item 1, resonance(s) ' .1.N' (nmrStar names) not linked" rr_6v4i 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_6v4i
_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 UNKNOWN FUNCTION 27-NOV-19 6V4I *TITLE DAND *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DAND PEPTIDE; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_COMMON: HUMAN; *SOURCE 5 ORGANISM_TAXID: 9606 *KEYWDS CYCLIC PEPTIDE, UNKNOWN FUNCTION *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR H.N.HOANG *REVDAT 1 02-DEC-20 6V4I 0"
save_