NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
641895 |
6qtf   |
34363 | cing | 3-converted-DOCR | STAR | entry | full | 17 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_6qtf
# This DOCR archive file contains, for PDB entry <6qtf>:
#
# - 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_6qtf
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 6qtf"
_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 6qtf"
_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 6qtf "Master copy" rr_6qtf
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_6qtf
_Assembly.ID 1
_Assembly.Name 6qtf
_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 462.5401
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 "DCY LEU GLY ALA THR" 1 $DCY_LEU_GLY_ALA_THR A . no . . . . . . rr_6qtf 1
stop_
save_
save_DCY_LEU_GLY_ALA_THR
_Entity.Sf_category entity
_Entity.Sf_framecode DCY_LEU_GLY_ALA_THR
_Entity.Entry_ID rr_6qtf
_Entity.ID 1
_Entity.Name DCY_LEU_GLY_ALA_THR
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code XLGAT
_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 5
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 462.5401
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 . . . rr_6qtf 1
2 . LEU . rr_6qtf 1
3 . GLY . rr_6qtf 1
4 . ALA . rr_6qtf 1
5 . THR . rr_6qtf 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
. . 1 1 rr_6qtf 1
. LEU 2 2 rr_6qtf 1
. GLY 3 3 rr_6qtf 1
. ALA 4 4 rr_6qtf 1
. THR 5 5 rr_6qtf 1
stop_
save_
save_chem_comp_DCY
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DCY
_Chem_comp.Entry_ID rr_6qtf
_Chem_comp.ID 1
_Chem_comp.Name Dcy
_Chem_comp.Type "L-peptide NH3 amino terminus"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C3 H6 N O S"
_Chem_comp.Formula_weight 104.1465
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_6qtf
_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 15
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_6qtf
_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_6qtf 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_6qtf 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
. 1 . 1 . 1 1 1 . C C 5.838 4.565 5.848 . . . 1.0 . . . . . . . . . . . . A . 1 DCY C . . . . . . . . . rr_6qtf 1
. 1 . 2 . 1 1 1 . CA C 6.921 3.505 5.683 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CA . . . . . . . . . rr_6qtf 1
. 1 . 3 . 1 1 1 . CB C 8.242 4.150 5.239 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CB . . . . . . . . . rr_6qtf 1
. 1 . 4 . 1 1 1 . H H 7.037 3.485 7.762 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H . . . . . . . . . rr_6qtf 1
. 1 . 5 . 1 1 1 . H2 H 8.077 2.379 6.999 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H2 . . . . . . . . . rr_6qtf 1
. 1 . 6 . 1 1 1 . H3 H 6.411 2.059 7.092 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H3 . . . . . . . . . rr_6qtf 1
. 1 . 7 . 1 1 1 . HA H 6.606 2.791 4.936 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HA . . . . . . . . . rr_6qtf 1
. 1 . 8 . 1 1 1 . HB2 H 8.676 3.560 4.450 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB2 . . . . . . . . . rr_6qtf 1
. 1 . 9 . 1 1 1 . HB3 H 8.922 4.177 6.078 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB3 . . . . . . . . . rr_6qtf 1
. 1 . 10 . 1 1 1 . N N 7.127 2.804 6.982 . . . 1.0 . . . . . . . . . . . . A . 1 DCY N . . . . . . . . . rr_6qtf 1
. 1 . 11 . 1 1 1 . O O 4.748 4.439 5.293 . . . 1.0 . . . . . . . . . . . . A . 1 DCY O . . . . . . . . . rr_6qtf 1
. 1 . 12 . 1 1 1 . SG S 7.942 5.847 4.657 . . . 1.0 . . . . . . . . . . . . A . 1 DCY SG . . . . . . . . . rr_6qtf 1
. 1 . 13 . 1 1 2 LEU C C 4.819 7.294 5.461 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qtf 1
. 1 . 14 . 1 1 2 LEU CA C 5.203 6.705 6.813 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qtf 1
. 1 . 15 . 1 1 2 LEU CB C 5.835 7.789 7.688 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qtf 1
. 1 . 16 . 1 1 2 LEU CD1 C 6.551 8.197 10.047 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qtf 1
. 1 . 17 . 1 1 2 LEU CD2 C 4.122 8.032 9.490 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qtf 1
. 1 . 18 . 1 1 2 LEU CG C 5.519 7.503 9.157 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qtf 1
. 1 . 19 . 1 1 2 LEU H H 7.041 5.666 7.003 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qtf 1
. 1 . 20 . 1 1 2 LEU HA H 4.321 6.321 7.308 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qtf 1
. 1 . 21 . 1 1 2 LEU HB2 H 6.905 7.790 7.542 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qtf 1
. 1 . 22 . 1 1 2 LEU HB3 H 5.432 8.753 7.416 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qtf 1
. 1 . 23 . 1 1 2 LEU HD11 H 7.488 7.664 9.994 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qtf 1
. 1 . 24 . 1 1 2 LEU HD12 H 6.198 8.207 11.067 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qtf 1
. 1 . 25 . 1 1 2 LEU HD13 H 6.695 9.212 9.706 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qtf 1
. 1 . 26 . 1 1 2 LEU HD21 H 4.070 9.084 9.251 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qtf 1
. 1 . 27 . 1 1 2 LEU HD22 H 3.926 7.892 10.542 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qtf 1
. 1 . 28 . 1 1 2 LEU HD23 H 3.386 7.495 8.911 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qtf 1
. 1 . 29 . 1 1 2 LEU HG H 5.553 6.437 9.331 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qtf 1
. 1 . 30 . 1 1 2 LEU N N 6.152 5.616 6.600 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qtf 1
. 1 . 31 . 1 1 2 LEU O O 5.221 8.406 5.119 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qtf 1
. 1 . 32 . 1 1 3 GLY C C 4.776 6.480 2.362 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qtf 1
. 1 . 33 . 1 1 3 GLY CA C 3.695 6.936 3.340 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qtf 1
. 1 . 34 . 1 1 3 GLY H H 3.822 5.624 4.984 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qtf 1
. 1 . 35 . 1 1 3 GLY HA2 H 2.754 6.466 3.082 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qtf 1
. 1 . 36 . 1 1 3 GLY HA3 H 3.582 8.016 3.295 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qtf 1
. 1 . 37 . 1 1 3 GLY N N 4.081 6.516 4.675 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qtf 1
. 1 . 38 . 1 1 3 GLY O O 4.524 6.338 1.166 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qtf 1
. 1 . 39 . 1 1 4 ALA C C 6.786 4.454 1.357 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_6qtf 1
. 1 . 40 . 1 1 4 ALA CA C 7.099 5.787 2.052 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_6qtf 1
. 1 . 41 . 1 1 4 ALA CB C 8.370 5.657 2.899 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_6qtf 1
. 1 . 42 . 1 1 4 ALA H H 6.149 6.371 3.857 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_6qtf 1
. 1 . 43 . 1 1 4 ALA HA H 7.273 6.527 1.294 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_6qtf 1
. 1 . 44 . 1 1 4 ALA HB2 H 8.836 4.701 2.723 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_6qtf 1
. 1 . 45 . 1 1 4 ALA HB3 H 9.056 6.437 2.618 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_6qtf 1
. 1 . 46 . 1 1 4 ALA N N 5.992 6.238 2.888 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_6qtf 1
. 1 . 47 . 1 1 4 ALA O O 7.219 4.232 0.226 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_6qtf 1
. 1 . 48 . 1 1 5 THR C C 4.497 2.424 0.494 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qtf 1
. 1 . 49 . 1 1 5 THR CA C 5.698 2.281 1.425 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qtf 1
. 1 . 50 . 1 1 5 THR CB C 5.376 1.265 2.522 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qtf 1
. 1 . 51 . 1 1 5 THR CG2 C 6.668 0.600 3.000 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qtf 1
. 1 . 52 . 1 1 5 THR H H 5.710 3.776 2.918 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qtf 1
. 1 . 53 . 1 1 5 THR HA H 6.543 1.924 0.855 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qtf 1
. 1 . 54 . 1 1 5 THR HB H 4.712 0.510 2.131 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qtf 1
. 1 . 55 . 1 1 5 THR HG1 H 4.938 1.429 4.410 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qtf 1
. 1 . 56 . 1 1 5 THR HG21 H 7.511 1.221 2.736 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qtf 1
. 1 . 57 . 1 1 5 THR HG22 H 6.771 -0.367 2.530 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qtf 1
. 1 . 58 . 1 1 5 THR HG23 H 6.634 0.477 4.073 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qtf 1
. 1 . 59 . 1 1 5 THR N N 6.038 3.568 2.021 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qtf 1
. 1 . 60 . 1 1 5 THR O O 3.618 3.208 0.810 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qtf 1
. 1 . 61 . 1 1 5 THR OXT O 4.475 1.746 -0.520 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qtf 1
. 1 . 62 . 1 1 5 THR OG1 O 4.752 1.929 3.612 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qtf 1
. 2 . 63 . 1 1 1 . C C 5.810 4.567 5.817 . . . 1.0 . . . . . . . . . . . . A . 1 DCY C . . . . . . . . . rr_6qtf 1
. 2 . 64 . 1 1 1 . CA C 6.858 3.476 5.631 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CA . . . . . . . . . rr_6qtf 1
. 2 . 65 . 1 1 1 . CB C 8.186 4.084 5.155 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CB . . . . . . . . . rr_6qtf 1
. 2 . 66 . 1 1 1 . H H 6.280 2.124 7.105 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H . . . . . . . . . rr_6qtf 1
. 2 . 67 . 1 1 1 . H2 H 7.135 3.468 7.694 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H2 . . . . . . . . . rr_6qtf 1
. 2 . 68 . 1 1 1 . H3 H 7.958 2.224 6.881 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H3 . . . . . . . . . rr_6qtf 1
. 2 . 69 . 1 1 1 . HA H 6.507 2.770 4.891 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HA . . . . . . . . . rr_6qtf 1
. 2 . 70 . 1 1 1 . HB2 H 8.558 3.512 4.323 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB2 . . . . . . . . . rr_6qtf 1
. 2 . 71 . 1 1 1 . HB3 H 8.903 4.043 5.962 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB3 . . . . . . . . . rr_6qtf 1
. 2 . 72 . 1 1 1 . N N 7.074 2.770 6.926 . . . 1.0 . . . . . . . . . . . . A . 1 DCY N . . . . . . . . . rr_6qtf 1
. 2 . 73 . 1 1 1 . O O 4.716 4.481 5.263 . . . 1.0 . . . . . . . . . . . . A . 1 DCY O . . . . . . . . . rr_6qtf 1
. 2 . 74 . 1 1 1 . SG S 7.937 5.817 4.661 . . . 1.0 . . . . . . . . . . . . A . 1 DCY SG . . . . . . . . . rr_6qtf 1
. 2 . 75 . 1 1 2 LEU C C 4.856 7.303 5.450 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qtf 1
. 2 . 76 . 1 1 2 LEU CA C 5.247 6.717 6.805 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qtf 1
. 2 . 77 . 1 1 2 LEU CB C 5.935 7.787 7.656 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qtf 1
. 2 . 78 . 1 1 2 LEU CD1 C 5.690 9.193 9.704 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qtf 1
. 2 . 79 . 1 1 2 LEU CD2 C 3.966 9.311 7.901 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qtf 1
. 2 . 80 . 1 1 2 LEU CG C 4.934 8.387 8.646 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qtf 1
. 2 . 81 . 1 1 2 LEU H H 7.054 5.619 6.982 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qtf 1
. 2 . 82 . 1 1 2 LEU HA H 4.364 6.364 7.321 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qtf 1
. 2 . 83 . 1 1 2 LEU HB2 H 6.753 7.339 8.200 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qtf 1
. 2 . 84 . 1 1 2 LEU HB3 H 6.316 8.567 7.016 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qtf 1
. 2 . 85 . 1 1 2 LEU HD11 H 6.468 9.771 9.226 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qtf 1
. 2 . 86 . 1 1 2 LEU HD12 H 6.134 8.518 10.420 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qtf 1
. 2 . 87 . 1 1 2 LEU HD13 H 5.006 9.857 10.210 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qtf 1
. 2 . 88 . 1 1 2 LEU HD21 H 3.750 8.897 6.928 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qtf 1
. 2 . 89 . 1 1 2 LEU HD22 H 4.416 10.285 7.785 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qtf 1
. 2 . 90 . 1 1 2 LEU HD23 H 3.050 9.403 8.464 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qtf 1
. 2 . 91 . 1 1 2 LEU HG H 4.380 7.593 9.128 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qtf 1
. 2 . 92 . 1 1 2 LEU N N 6.161 5.600 6.581 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qtf 1
. 2 . 93 . 1 1 2 LEU O O 5.299 8.389 5.082 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qtf 1
. 2 . 94 . 1 1 3 GLY C C 4.752 6.519 2.374 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qtf 1
. 2 . 95 . 1 1 3 GLY CA C 3.673 6.968 3.360 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qtf 1
. 2 . 96 . 1 1 3 GLY H H 3.775 5.673 5.019 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qtf 1
. 2 . 97 . 1 1 3 GLY HA2 H 2.732 6.496 3.104 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qtf 1
. 2 . 98 . 1 1 3 GLY HA3 H 3.558 8.048 3.318 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qtf 1
. 2 . 99 . 1 1 3 GLY N N 4.067 6.548 4.692 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qtf 1
. 2 . 100 . 1 1 3 GLY O O 4.503 6.415 1.172 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qtf 1
. 2 . 101 . 1 1 4 ALA C C 6.784 4.457 1.372 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_6qtf 1
. 2 . 102 . 1 1 4 ALA CA C 7.071 5.802 2.058 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_6qtf 1
. 2 . 103 . 1 1 4 ALA CB C 8.354 5.701 2.894 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_6qtf 1
. 2 . 104 . 1 1 4 ALA H H 6.114 6.354 3.871 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_6qtf 1
. 2 . 105 . 1 1 4 ALA HA H 7.227 6.539 1.293 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_6qtf 1
. 2 . 106 . 1 1 4 ALA HB2 H 8.860 4.773 2.686 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_6qtf 1
. 2 . 107 . 1 1 4 ALA HB3 H 9.005 6.519 2.633 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_6qtf 1
. 2 . 108 . 1 1 4 ALA N N 5.962 6.246 2.899 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_6qtf 1
. 2 . 109 . 1 1 4 ALA O O 7.206 4.245 0.235 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_6qtf 1
. 2 . 110 . 1 1 5 THR C C 4.473 2.322 0.655 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qtf 1
. 2 . 111 . 1 1 5 THR CA C 5.767 2.251 1.460 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qtf 1
. 2 . 112 . 1 1 5 THR CB C 5.631 1.198 2.563 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qtf 1
. 2 . 113 . 1 1 5 THR CG2 C 7.023 0.768 3.032 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qtf 1
. 2 . 114 . 1 1 5 THR H H 5.757 3.747 2.947 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qtf 1
. 2 . 115 . 1 1 5 THR HA H 6.574 1.964 0.803 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qtf 1
. 2 . 116 . 1 1 5 THR HB H 5.105 0.338 2.178 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qtf 1
. 2 . 117 . 1 1 5 THR HG1 H 4.823 2.692 3.510 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qtf 1
. 2 . 118 . 1 1 5 THR HG21 H 7.493 0.171 2.265 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qtf 1
. 2 . 119 . 1 1 5 THR HG22 H 6.934 0.186 3.938 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qtf 1
. 2 . 120 . 1 1 5 THR HG23 H 7.623 1.644 3.225 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qtf 1
. 2 . 121 . 1 1 5 THR N N 6.076 3.549 2.048 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qtf 1
. 2 . 122 . 1 1 5 THR O O 3.629 3.133 0.997 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qtf 1
. 2 . 123 . 1 1 5 THR OXT O 4.347 1.565 -0.294 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qtf 1
. 2 . 124 . 1 1 5 THR OG1 O 4.909 1.747 3.656 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qtf 1
. 3 . 125 . 1 1 1 . C C 5.807 4.570 5.864 . . . 1.0 . . . . . . . . . . . . A . 1 DCY C . . . . . . . . . rr_6qtf 1
. 3 . 126 . 1 1 1 . CA C 6.858 3.483 5.670 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CA . . . . . . . . . rr_6qtf 1
. 3 . 127 . 1 1 1 . CB C 8.184 4.094 5.192 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CB . . . . . . . . . rr_6qtf 1
. 3 . 128 . 1 1 1 . H H 6.710 1.802 6.890 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H . . . . . . . . . rr_6qtf 1
. 3 . 129 . 1 1 1 . H2 H 6.587 3.277 7.724 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H2 . . . . . . . . . rr_6qtf 1
. 3 . 130 . 1 1 1 . H3 H 8.098 2.736 7.167 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H3 . . . . . . . . . rr_6qtf 1
. 3 . 131 . 1 1 1 . HA H 6.507 2.781 4.929 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HA . . . . . . . . . rr_6qtf 1
. 3 . 132 . 1 1 1 . HB2 H 8.564 3.514 4.369 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB2 . . . . . . . . . rr_6qtf 1
. 3 . 133 . 1 1 1 . HB3 H 8.898 4.072 6.003 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB3 . . . . . . . . . rr_6qtf 1
. 3 . 134 . 1 1 1 . N N 7.080 2.770 6.960 . . . 1.0 . . . . . . . . . . . . A . 1 DCY N . . . . . . . . . rr_6qtf 1
. 3 . 135 . 1 1 1 . O O 4.692 4.457 5.358 . . . 1.0 . . . . . . . . . . . . A . 1 DCY O . . . . . . . . . rr_6qtf 1
. 3 . 136 . 1 1 1 . SG S 7.924 5.818 4.671 . . . 1.0 . . . . . . . . . . . . A . 1 DCY SG . . . . . . . . . rr_6qtf 1
. 3 . 137 . 1 1 2 LEU C C 4.846 7.315 5.453 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qtf 1
. 3 . 138 . 1 1 2 LEU CA C 5.255 6.743 6.805 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qtf 1
. 3 . 139 . 1 1 2 LEU CB C 5.940 7.828 7.639 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qtf 1
. 3 . 140 . 1 1 2 LEU CD1 C 7.004 6.313 9.316 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qtf 1
. 3 . 141 . 1 1 2 LEU CD2 C 6.309 8.618 9.979 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qtf 1
. 3 . 142 . 1 1 2 LEU CG C 5.957 7.409 9.109 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qtf 1
. 3 . 143 . 1 1 2 LEU H H 7.082 5.672 6.944 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qtf 1
. 3 . 144 . 1 1 2 LEU HA H 4.380 6.388 7.335 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qtf 1
. 3 . 145 . 1 1 2 LEU HB2 H 6.954 7.964 7.290 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qtf 1
. 3 . 146 . 1 1 2 LEU HB3 H 5.396 8.757 7.538 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qtf 1
. 3 . 147 . 1 1 2 LEU HD11 H 7.943 6.627 8.888 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qtf 1
. 3 . 148 . 1 1 2 LEU HD12 H 6.674 5.405 8.833 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qtf 1
. 3 . 149 . 1 1 2 LEU HD13 H 7.131 6.132 10.373 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qtf 1
. 3 . 150 . 1 1 2 LEU HD21 H 5.712 9.466 9.676 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qtf 1
. 3 . 151 . 1 1 2 LEU HD22 H 7.356 8.854 9.861 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qtf 1
. 3 . 152 . 1 1 2 LEU HD23 H 6.106 8.387 11.015 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qtf 1
. 3 . 153 . 1 1 2 LEU HG H 4.982 7.034 9.388 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qtf 1
. 3 . 154 . 1 1 2 LEU N N 6.175 5.630 6.580 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qtf 1
. 3 . 155 . 1 1 2 LEU O O 5.254 8.416 5.083 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qtf 1
. 3 . 156 . 1 1 3 GLY C C 4.752 6.492 2.378 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qtf 1
. 3 . 157 . 1 1 3 GLY CA C 3.672 6.934 3.365 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qtf 1
. 3 . 158 . 1 1 3 GLY H H 3.819 5.649 5.028 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qtf 1
. 3 . 159 . 1 1 3 GLY HA2 H 2.737 6.445 3.119 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qtf 1
. 3 . 160 . 1 1 3 GLY HA3 H 3.540 8.012 3.314 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qtf 1
. 3 . 161 . 1 1 3 GLY N N 4.081 6.533 4.698 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qtf 1
. 3 . 162 . 1 1 3 GLY O O 4.505 6.386 1.177 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qtf 1
. 3 . 163 . 1 1 4 ALA C C 6.788 4.459 1.360 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_6qtf 1
. 3 . 164 . 1 1 4 ALA CA C 7.076 5.793 2.064 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_6qtf 1
. 3 . 165 . 1 1 4 ALA CB C 8.352 5.680 2.909 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_6qtf 1
. 3 . 166 . 1 1 4 ALA H H 6.114 6.338 3.876 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_6qtf 1
. 3 . 167 . 1 1 4 ALA HA H 7.240 6.540 1.310 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_6qtf 1
. 3 . 168 . 1 1 4 ALA HB2 H 8.845 4.742 2.711 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_6qtf 1
. 3 . 169 . 1 1 4 ALA HB3 H 9.015 6.485 2.644 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_6qtf 1
. 3 . 170 . 1 1 4 ALA N N 5.963 6.229 2.903 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_6qtf 1
. 3 . 171 . 1 1 4 ALA O O 7.218 4.257 0.224 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_6qtf 1
. 3 . 172 . 1 1 5 THR C C 4.527 2.378 0.509 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qtf 1
. 3 . 173 . 1 1 5 THR CA C 5.755 2.261 1.409 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qtf 1
. 3 . 174 . 1 1 5 THR CB C 5.497 1.216 2.497 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qtf 1
. 3 . 175 . 1 1 5 THR CG2 C 6.826 0.600 2.939 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qtf 1
. 3 . 176 . 1 1 5 THR H H 5.739 3.738 2.917 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qtf 1
. 3 . 177 . 1 1 5 THR HA H 6.597 1.943 0.813 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qtf 1
. 3 . 178 . 1 1 5 THR HB H 4.858 0.439 2.109 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qtf 1
. 3 . 179 . 1 1 5 THR HG1 H 4.481 1.149 4.154 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qtf 1
. 3 . 180 . 1 1 5 THR HG21 H 7.638 1.246 2.643 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qtf 1
. 3 . 181 . 1 1 5 THR HG22 H 6.946 -0.368 2.474 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qtf 1
. 3 . 182 . 1 1 5 THR HG23 H 6.829 0.486 4.013 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qtf 1
. 3 . 183 . 1 1 5 THR N N 6.066 3.549 2.018 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qtf 1
. 3 . 184 . 1 1 5 THR O O 3.699 1.483 0.549 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qtf 1
. 3 . 185 . 1 1 5 THR OXT O 4.435 3.361 -0.207 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qtf 1
. 3 . 186 . 1 1 5 THR OG1 O 4.867 1.838 3.608 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qtf 1
. 4 . 187 . 1 1 1 . C C 5.815 4.569 5.834 . . . 1.0 . . . . . . . . . . . . A . 1 DCY C . . . . . . . . . rr_6qtf 1
. 4 . 188 . 1 1 1 . CA C 6.869 3.483 5.646 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CA . . . . . . . . . rr_6qtf 1
. 4 . 189 . 1 1 1 . CB C 8.191 4.091 5.157 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CB . . . . . . . . . rr_6qtf 1
. 4 . 190 . 1 1 1 . H H 7.346 1.791 6.762 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H . . . . . . . . . rr_6qtf 1
. 4 . 191 . 1 1 1 . H2 H 6.231 2.826 7.516 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H2 . . . . . . . . . rr_6qtf 1
. 4 . 192 . 1 1 1 . H3 H 7.876 3.246 7.453 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H3 . . . . . . . . . rr_6qtf 1
. 4 . 193 . 1 1 1 . HA H 6.516 2.773 4.914 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HA . . . . . . . . . rr_6qtf 1
. 4 . 194 . 1 1 1 . HB2 H 8.558 3.515 4.324 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB2 . . . . . . . . . rr_6qtf 1
. 4 . 195 . 1 1 1 . HB3 H 8.915 4.059 5.959 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB3 . . . . . . . . . rr_6qtf 1
. 4 . 196 . 1 1 1 . N N 7.097 2.784 6.942 . . . 1.0 . . . . . . . . . . . . A . 1 DCY N . . . . . . . . . rr_6qtf 1
. 4 . 197 . 1 1 1 . O O 4.716 4.470 5.290 . . . 1.0 . . . . . . . . . . . . A . 1 DCY O . . . . . . . . . rr_6qtf 1
. 4 . 198 . 1 1 1 . SG S 7.934 5.820 4.652 . . . 1.0 . . . . . . . . . . . . A . 1 DCY SG . . . . . . . . . rr_6qtf 1
. 4 . 199 . 1 1 2 LEU C C 4.845 7.309 5.462 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qtf 1
. 4 . 200 . 1 1 2 LEU CA C 5.237 6.718 6.813 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qtf 1
. 4 . 201 . 1 1 2 LEU CB C 5.906 7.795 7.670 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qtf 1
. 4 . 202 . 1 1 2 LEU CD1 C 7.493 7.798 9.599 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qtf 1
. 4 . 203 . 1 1 2 LEU CD2 C 5.033 7.656 10.006 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qtf 1
. 4 . 204 . 1 1 2 LEU CG C 6.170 7.241 9.071 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qtf 1
. 4 . 205 . 1 1 2 LEU H H 7.056 5.640 6.982 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qtf 1
. 4 . 206 . 1 1 2 LEU HA H 4.355 6.356 7.325 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qtf 1
. 4 . 207 . 1 1 2 LEU HB2 H 6.842 8.086 7.215 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qtf 1
. 4 . 208 . 1 1 2 LEU HB3 H 5.256 8.653 7.741 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qtf 1
. 4 . 209 . 1 1 2 LEU HD11 H 7.758 7.290 10.515 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qtf 1
. 4 . 210 . 1 1 2 LEU HD12 H 7.386 8.856 9.793 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qtf 1
. 4 . 211 . 1 1 2 LEU HD13 H 8.269 7.643 8.865 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qtf 1
. 4 . 212 . 1 1 2 LEU HD21 H 5.040 7.027 10.883 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qtf 1
. 4 . 213 . 1 1 2 LEU HD22 H 4.088 7.550 9.494 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qtf 1
. 4 . 214 . 1 1 2 LEU HD23 H 5.168 8.687 10.301 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qtf 1
. 4 . 215 . 1 1 2 LEU HG H 6.227 6.163 9.027 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qtf 1
. 4 . 216 . 1 1 2 LEU N N 6.162 5.610 6.587 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qtf 1
. 4 . 217 . 1 1 2 LEU O O 5.271 8.407 5.106 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qtf 1
. 4 . 218 . 1 1 3 GLY C C 4.755 6.515 2.371 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qtf 1
. 4 . 219 . 1 1 3 GLY CA C 3.679 6.966 3.359 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qtf 1
. 4 . 220 . 1 1 3 GLY H H 3.797 5.662 5.011 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qtf 1
. 4 . 221 . 1 1 3 GLY HA2 H 2.737 6.497 3.106 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qtf 1
. 4 . 222 . 1 1 3 GLY HA3 H 3.566 8.047 3.318 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qtf 1
. 4 . 223 . 1 1 3 GLY N N 4.075 6.545 4.691 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qtf 1
. 4 . 224 . 1 1 3 GLY O O 4.505 6.411 1.171 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qtf 1
. 4 . 225 . 1 1 4 ALA C C 6.780 4.455 1.362 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_6qtf 1
. 4 . 226 . 1 1 4 ALA CA C 7.072 5.796 2.051 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_6qtf 1
. 4 . 227 . 1 1 4 ALA CB C 8.354 5.694 2.887 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_6qtf 1
. 4 . 228 . 1 1 4 ALA H H 6.120 6.350 3.866 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_6qtf 1
. 4 . 229 . 1 1 4 ALA HA H 7.229 6.535 1.288 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_6qtf 1
. 4 . 230 . 1 1 4 ALA HB2 H 8.857 4.763 2.683 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_6qtf 1
. 4 . 231 . 1 1 4 ALA HB3 H 9.006 6.509 2.623 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_6qtf 1
. 4 . 232 . 1 1 4 ALA N N 5.965 6.241 2.894 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_6qtf 1
. 4 . 233 . 1 1 4 ALA O O 7.196 4.245 0.222 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_6qtf 1
. 4 . 234 . 1 1 5 THR C C 4.547 2.363 0.524 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qtf 1
. 4 . 235 . 1 1 5 THR CA C 5.759 2.251 1.444 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qtf 1
. 4 . 236 . 1 1 5 THR CB C 5.472 1.229 2.546 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qtf 1
. 4 . 237 . 1 1 5 THR CG2 C 5.165 -0.132 1.918 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qtf 1
. 4 . 238 . 1 1 5 THR H H 5.756 3.742 2.939 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qtf 1
. 4 . 239 . 1 1 5 THR HA H 6.607 1.914 0.869 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qtf 1
. 4 . 240 . 1 1 5 THR HB H 4.621 1.552 3.125 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qtf 1
. 4 . 241 . 1 1 5 THR HG1 H 7.254 1.766 3.109 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qtf 1
. 4 . 242 . 1 1 5 THR HG21 H 5.064 -0.020 0.848 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qtf 1
. 4 . 243 . 1 1 5 THR HG22 H 4.245 -0.519 2.328 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qtf 1
. 4 . 244 . 1 1 5 THR HG23 H 5.972 -0.817 2.132 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qtf 1
. 4 . 245 . 1 1 5 THR N N 6.073 3.546 2.038 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qtf 1
. 4 . 246 . 1 1 5 THR O O 4.742 2.642 -0.648 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qtf 1
. 4 . 247 . 1 1 5 THR OXT O 3.443 2.169 1.004 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qtf 1
. 4 . 248 . 1 1 5 THR OG1 O 6.607 1.117 3.393 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qtf 1
. 5 . 249 . 1 1 1 . C C 5.797 4.570 5.862 . . . 1.0 . . . . . . . . . . . . A . 1 DCY C . . . . . . . . . rr_6qtf 1
. 5 . 250 . 1 1 1 . CA C 6.841 3.477 5.662 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CA . . . . . . . . . rr_6qtf 1
. 5 . 251 . 1 1 1 . CB C 8.166 4.079 5.173 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CB . . . . . . . . . rr_6qtf 1
. 5 . 252 . 1 1 1 . H H 6.888 3.412 7.743 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H . . . . . . . . . rr_6qtf 1
. 5 . 253 . 1 1 1 . H2 H 8.051 2.428 6.992 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H2 . . . . . . . . . rr_6qtf 1
. 5 . 254 . 1 1 1 . H3 H 6.419 1.953 7.017 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H3 . . . . . . . . . rr_6qtf 1
. 5 . 255 . 1 1 1 . HA H 6.478 2.776 4.925 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HA . . . . . . . . . rr_6qtf 1
. 5 . 256 . 1 1 1 . HB2 H 8.529 3.503 4.340 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB2 . . . . . . . . . rr_6qtf 1
. 5 . 257 . 1 1 1 . HB3 H 8.890 4.042 5.975 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB3 . . . . . . . . . rr_6qtf 1
. 5 . 258 . 1 1 1 . N N 7.067 2.764 6.952 . . . 1.0 . . . . . . . . . . . . A . 1 DCY N . . . . . . . . . rr_6qtf 1
. 5 . 259 . 1 1 1 . O O 4.679 4.464 5.363 . . . 1.0 . . . . . . . . . . . . A . 1 DCY O . . . . . . . . . rr_6qtf 1
. 5 . 260 . 1 1 1 . SG S 7.918 5.810 4.671 . . . 1.0 . . . . . . . . . . . . A . 1 DCY SG . . . . . . . . . rr_6qtf 1
. 5 . 261 . 1 1 2 LEU C C 4.854 7.320 5.453 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qtf 1
. 5 . 262 . 1 1 2 LEU CA C 5.268 6.749 6.805 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qtf 1
. 5 . 263 . 1 1 2 LEU CB C 5.969 7.832 7.629 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qtf 1
. 5 . 264 . 1 1 2 LEU CD1 C 4.734 7.794 9.800 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qtf 1
. 5 . 265 . 1 1 2 LEU CD2 C 5.450 9.971 8.808 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qtf 1
. 5 . 266 . 1 1 2 LEU CG C 4.941 8.563 8.494 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qtf 1
. 5 . 267 . 1 1 2 LEU H H 7.087 5.665 6.933 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qtf 1
. 5 . 268 . 1 1 2 LEU HA H 4.395 6.403 7.342 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qtf 1
. 5 . 269 . 1 1 2 LEU HB2 H 6.715 7.376 8.263 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qtf 1
. 5 . 270 . 1 1 2 LEU HB3 H 6.445 8.539 6.965 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qtf 1
. 5 . 271 . 1 1 2 LEU HD11 H 3.749 8.003 10.188 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qtf 1
. 5 . 272 . 1 1 2 LEU HD12 H 5.477 8.101 10.520 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qtf 1
. 5 . 273 . 1 1 2 LEU HD13 H 4.830 6.734 9.613 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qtf 1
. 5 . 274 . 1 1 2 LEU HD21 H 6.530 9.963 8.852 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qtf 1
. 5 . 275 . 1 1 2 LEU HD22 H 5.054 10.293 9.759 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qtf 1
. 5 . 276 . 1 1 2 LEU HD23 H 5.127 10.651 8.035 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qtf 1
. 5 . 277 . 1 1 2 LEU HG H 4.003 8.626 7.962 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qtf 1
. 5 . 278 . 1 1 2 LEU N N 6.177 5.629 6.575 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qtf 1
. 5 . 279 . 1 1 2 LEU O O 5.269 8.416 5.078 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qtf 1
. 5 . 280 . 1 1 3 GLY C C 4.744 6.501 2.381 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qtf 1
. 5 . 281 . 1 1 3 GLY CA C 3.666 6.941 3.371 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qtf 1
. 5 . 282 . 1 1 3 GLY H H 3.813 5.661 5.038 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qtf 1
. 5 . 283 . 1 1 3 GLY HA2 H 2.731 6.452 3.129 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qtf 1
. 5 . 284 . 1 1 3 GLY HA3 H 3.533 8.019 3.320 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qtf 1
. 5 . 285 . 1 1 3 GLY N N 4.080 6.541 4.704 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qtf 1
. 5 . 286 . 1 1 3 GLY O O 4.497 6.405 1.178 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qtf 1
. 5 . 287 . 1 1 4 ALA C C 6.788 4.459 1.360 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_6qtf 1
. 5 . 288 . 1 1 4 ALA CA C 7.068 5.795 2.065 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_6qtf 1
. 5 . 289 . 1 1 4 ALA CB C 8.345 5.688 2.908 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_6qtf 1
. 5 . 290 . 1 1 4 ALA H H 6.104 6.332 3.878 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_6qtf 1
. 5 . 291 . 1 1 4 ALA HA H 7.228 6.542 1.310 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_6qtf 1
. 5 . 292 . 1 1 4 ALA HB2 H 8.848 4.756 2.703 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_6qtf 1
. 5 . 293 . 1 1 4 ALA HB3 H 9.001 6.502 2.648 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_6qtf 1
. 5 . 294 . 1 1 4 ALA N N 5.954 6.229 2.905 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_6qtf 1
. 5 . 295 . 1 1 4 ALA O O 7.218 4.262 0.224 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_6qtf 1
. 5 . 296 . 1 1 5 THR C C 4.877 2.432 0.188 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qtf 1
. 5 . 297 . 1 1 5 THR CA C 5.773 2.252 1.410 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qtf 1
. 5 . 298 . 1 1 5 THR CB C 5.078 1.344 2.426 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qtf 1
. 5 . 299 . 1 1 5 THR CG2 C 3.572 1.605 2.403 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qtf 1
. 5 . 300 . 1 1 5 THR H H 5.748 3.730 2.918 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qtf 1
. 5 . 301 . 1 1 5 THR HA H 6.697 1.787 1.100 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qtf 1
. 5 . 302 . 1 1 5 THR HB H 5.460 1.551 3.414 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qtf 1
. 5 . 303 . 1 1 5 THR HG1 H 6.040 -0.034 1.448 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qtf 1
. 5 . 304 . 1 1 5 THR HG21 H 3.149 1.194 1.498 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qtf 1
. 5 . 305 . 1 1 5 THR HG22 H 3.391 2.669 2.433 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qtf 1
. 5 . 306 . 1 1 5 THR HG23 H 3.112 1.137 3.261 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qtf 1
. 5 . 307 . 1 1 5 THR N N 6.074 3.544 2.018 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qtf 1
. 5 . 308 . 1 1 5 THR O O 3.886 3.135 0.301 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qtf 1
. 5 . 309 . 1 1 5 THR OXT O 5.195 1.863 -0.844 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qtf 1
. 5 . 310 . 1 1 5 THR OG1 O 5.331 -0.014 2.095 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qtf 1
. 6 . 311 . 1 1 1 . C C 5.820 4.563 5.941 . . . 1.0 . . . . . . . . . . . . A . 1 DCY C . . . . . . . . . rr_6qtf 1
. 6 . 312 . 1 1 1 . CA C 6.905 3.508 5.736 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CA . . . . . . . . . rr_6qtf 1
. 6 . 313 . 1 1 1 . CB C 8.227 4.168 5.318 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CB . . . . . . . . . rr_6qtf 1
. 6 . 314 . 1 1 1 . H H 7.031 1.736 6.820 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H . . . . . . . . . rr_6qtf 1
. 6 . 315 . 1 1 1 . H2 H 6.387 3.041 7.697 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H2 . . . . . . . . . rr_6qtf 1
. 6 . 316 . 1 1 1 . H3 H 8.056 2.964 7.384 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H3 . . . . . . . . . rr_6qtf 1
. 6 . 317 . 1 1 1 . HA H 6.591 2.823 4.962 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HA . . . . . . . . . rr_6qtf 1
. 6 . 318 . 1 1 1 . HB2 H 8.697 3.570 4.556 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB2 . . . . . . . . . rr_6qtf 1
. 6 . 319 . 1 1 1 . HB3 H 8.881 4.226 6.176 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB3 . . . . . . . . . rr_6qtf 1
. 6 . 320 . 1 1 1 . N N 7.110 2.756 7.004 . . . 1.0 . . . . . . . . . . . . A . 1 DCY N . . . . . . . . . rr_6qtf 1
. 6 . 321 . 1 1 1 . O O 4.682 4.380 5.513 . . . 1.0 . . . . . . . . . . . . A . 1 DCY O . . . . . . . . . rr_6qtf 1
. 6 . 322 . 1 1 1 . SG S 7.914 5.847 4.690 . . . 1.0 . . . . . . . . . . . . A . 1 DCY SG . . . . . . . . . rr_6qtf 1
. 6 . 323 . 1 1 2 LEU C C 4.803 7.316 5.458 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qtf 1
. 6 . 324 . 1 1 2 LEU CA C 5.232 6.757 6.808 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qtf 1
. 6 . 325 . 1 1 2 LEU CB C 5.881 7.866 7.640 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qtf 1
. 6 . 326 . 1 1 2 LEU CD1 C 7.455 8.351 9.517 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qtf 1
. 6 . 327 . 1 1 2 LEU CD2 C 5.756 6.538 9.749 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qtf 1
. 6 . 328 . 1 1 2 LEU CG C 6.697 7.249 8.775 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qtf 1
. 6 . 329 . 1 1 2 LEU H H 7.108 5.768 6.880 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qtf 1
. 6 . 330 . 1 1 2 LEU HA H 4.369 6.375 7.337 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qtf 1
. 6 . 331 . 1 1 2 LEU HB2 H 6.530 8.458 7.009 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qtf 1
. 6 . 332 . 1 1 2 LEU HB3 H 5.111 8.500 8.056 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qtf 1
. 6 . 333 . 1 1 2 LEU HD11 H 6.846 8.723 10.328 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qtf 1
. 6 . 334 . 1 1 2 LEU HD12 H 7.678 9.157 8.834 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qtf 1
. 6 . 335 . 1 1 2 LEU HD13 H 8.376 7.950 9.914 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qtf 1
. 6 . 336 . 1 1 2 LEU HD21 H 5.607 5.518 9.427 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qtf 1
. 6 . 337 . 1 1 2 LEU HD22 H 4.805 7.051 9.771 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qtf 1
. 6 . 338 . 1 1 2 LEU HD23 H 6.191 6.544 10.738 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qtf 1
. 6 . 339 . 1 1 2 LEU HG H 7.401 6.538 8.368 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qtf 1
. 6 . 340 . 1 1 2 LEU N N 6.184 5.672 6.578 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qtf 1
. 6 . 341 . 1 1 2 LEU O O 5.143 8.446 5.105 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qtf 1
. 6 . 342 . 1 1 3 GLY C C 4.769 6.442 2.372 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qtf 1
. 6 . 343 . 1 1 3 GLY CA C 3.683 6.879 3.353 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qtf 1
. 6 . 344 . 1 1 3 GLY H H 3.898 5.592 5.008 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qtf 1
. 6 . 345 . 1 1 3 GLY HA2 H 2.754 6.375 3.115 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qtf 1
. 6 . 346 . 1 1 3 GLY HA3 H 3.537 7.954 3.292 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qtf 1
. 6 . 347 . 1 1 3 GLY N N 4.103 6.493 4.688 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qtf 1
. 6 . 348 . 1 1 3 GLY O O 4.522 6.308 1.173 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qtf 1
. 6 . 349 . 1 1 4 ALA C C 6.802 4.455 1.347 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_6qtf 1
. 6 . 350 . 1 1 4 ALA CA C 7.104 5.774 2.072 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_6qtf 1
. 6 . 351 . 1 1 4 ALA CB C 8.360 5.620 2.940 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_6qtf 1
. 6 . 352 . 1 1 4 ALA H H 6.132 6.334 3.874 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_6qtf 1
. 6 . 353 . 1 1 4 ALA HA H 7.293 6.531 1.333 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_6qtf 1
. 6 . 354 . 1 1 4 ALA HB2 H 8.801 4.649 2.784 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_6qtf 1
. 6 . 355 . 1 1 4 ALA HB3 H 9.072 6.376 2.656 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_6qtf 1
. 6 . 356 . 1 1 4 ALA N N 5.984 6.208 2.902 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_6qtf 1
. 6 . 357 . 1 1 4 ALA O O 7.274 4.243 0.230 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_6qtf 1
. 6 . 358 . 1 1 5 THR C C 4.939 2.522 0.036 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qtf 1
. 6 . 359 . 1 1 5 THR CA C 5.691 2.296 1.343 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qtf 1
. 6 . 360 . 1 1 5 THR CB C 4.832 1.452 2.288 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qtf 1
. 6 . 361 . 1 1 5 THR CG2 C 3.584 2.239 2.692 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qtf 1
. 6 . 362 . 1 1 5 THR H H 5.663 3.771 2.858 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qtf 1
. 6 . 363 . 1 1 5 THR HA H 6.605 1.762 1.133 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qtf 1
. 6 . 364 . 1 1 5 THR HB H 5.400 1.208 3.172 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qtf 1
. 6 . 365 . 1 1 5 THR HG1 H 3.580 0.397 1.238 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qtf 1
. 6 . 366 . 1 1 5 THR HG21 H 3.690 3.267 2.379 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qtf 1
. 6 . 367 . 1 1 5 THR HG22 H 3.464 2.199 3.765 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qtf 1
. 6 . 368 . 1 1 5 THR HG23 H 2.716 1.805 2.217 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qtf 1
. 6 . 369 . 1 1 5 THR N N 6.020 3.571 1.971 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qtf 1
. 6 . 370 . 1 1 5 THR O O 5.586 2.560 -0.998 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qtf 1
. 6 . 371 . 1 1 5 THR OXT O 3.726 2.653 0.088 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qtf 1
. 6 . 372 . 1 1 5 THR OG1 O 4.446 0.254 1.628 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qtf 1
. 7 . 373 . 1 1 1 . C C 5.838 4.559 5.884 . . . 1.0 . . . . . . . . . . . . A . 1 DCY C . . . . . . . . . rr_6qtf 1
. 7 . 374 . 1 1 1 . CA C 6.935 3.513 5.713 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CA . . . . . . . . . rr_6qtf 1
. 7 . 375 . 1 1 1 . CB C 8.255 4.187 5.313 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CB . . . . . . . . . rr_6qtf 1
. 7 . 376 . 1 1 1 . H H 7.628 1.888 6.816 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H . . . . . . . . . rr_6qtf 1
. 7 . 377 . 1 1 1 . H2 H 6.197 2.579 7.420 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H2 . . . . . . . . . rr_6qtf 1
. 7 . 378 . 1 1 1 . H3 H 7.686 3.365 7.650 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H3 . . . . . . . . . rr_6qtf 1
. 7 . 379 . 1 1 1 . HA H 6.644 2.815 4.943 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HA . . . . . . . . . rr_6qtf 1
. 7 . 380 . 1 1 1 . HB2 H 8.742 3.594 4.558 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB2 . . . . . . . . . rr_6qtf 1
. 7 . 381 . 1 1 1 . HB3 H 8.896 4.252 6.180 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB3 . . . . . . . . . rr_6qtf 1
. 7 . 382 . 1 1 1 . N N 7.125 2.781 6.997 . . . 1.0 . . . . . . . . . . . . A . 1 DCY N . . . . . . . . . rr_6qtf 1
. 7 . 383 . 1 1 1 . O O 4.733 4.401 5.369 . . . 1.0 . . . . . . . . . . . . A . 1 DCY O . . . . . . . . . rr_6qtf 1
. 7 . 384 . 1 1 1 . SG S 7.930 5.861 4.679 . . . 1.0 . . . . . . . . . . . . A . 1 DCY SG . . . . . . . . . rr_6qtf 1
. 7 . 385 . 1 1 2 LEU C C 4.811 7.294 5.454 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qtf 1
. 7 . 386 . 1 1 2 LEU CA C 5.205 6.718 6.807 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qtf 1
. 7 . 387 . 1 1 2 LEU CB C 5.833 7.814 7.671 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qtf 1
. 7 . 388 . 1 1 2 LEU CD1 C 6.178 6.065 9.422 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qtf 1
. 7 . 389 . 1 1 2 LEU CD2 C 6.398 8.483 10.012 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qtf 1
. 7 . 390 . 1 1 2 LEU CG C 5.640 7.471 9.149 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qtf 1
. 7 . 391 . 1 1 2 LEU H H 7.063 5.710 6.962 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qtf 1
. 7 . 392 . 1 1 2 LEU HA H 4.329 6.331 7.310 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qtf 1
. 7 . 393 . 1 1 2 LEU HB2 H 6.889 7.884 7.452 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qtf 1
. 7 . 394 . 1 1 2 LEU HB3 H 5.357 8.759 7.457 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qtf 1
. 7 . 395 . 1 1 2 LEU HD11 H 6.271 5.916 10.488 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qtf 1
. 7 . 396 . 1 1 2 LEU HD12 H 7.146 5.955 8.956 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qtf 1
. 7 . 397 . 1 1 2 LEU HD13 H 5.496 5.334 9.013 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qtf 1
. 7 . 398 . 1 1 2 LEU HD21 H 6.039 8.428 11.029 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qtf 1
. 7 . 399 . 1 1 2 LEU HD22 H 6.237 9.477 9.625 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qtf 1
. 7 . 400 . 1 1 2 LEU HD23 H 7.454 8.254 9.990 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qtf 1
. 7 . 401 . 1 1 2 LEU HG H 4.586 7.506 9.391 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qtf 1
. 7 . 402 . 1 1 2 LEU N N 6.162 5.636 6.594 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qtf 1
. 7 . 403 . 1 1 2 LEU O O 5.198 8.409 5.104 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qtf 1
. 7 . 404 . 1 1 3 GLY C C 4.779 6.454 2.363 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qtf 1
. 7 . 405 . 1 1 3 GLY CA C 3.692 6.907 3.336 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qtf 1
. 7 . 406 . 1 1 3 GLY H H 3.839 5.606 4.988 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qtf 1
. 7 . 407 . 1 1 3 GLY HA2 H 2.757 6.424 3.081 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qtf 1
. 7 . 408 . 1 1 3 GLY HA3 H 3.569 7.985 3.282 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qtf 1
. 7 . 409 . 1 1 3 GLY N N 4.085 6.500 4.673 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qtf 1
. 7 . 410 . 1 1 3 GLY O O 4.531 6.300 1.167 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qtf 1
. 7 . 411 . 1 1 4 ALA C C 6.797 4.453 1.360 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_6qtf 1
. 7 . 412 . 1 1 4 ALA CA C 7.110 5.779 2.066 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_6qtf 1
. 7 . 413 . 1 1 4 ALA CB C 8.369 5.630 2.929 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_6qtf 1
. 7 . 414 . 1 1 4 ALA H H 6.148 6.369 3.863 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_6qtf 1
. 7 . 415 . 1 1 4 ALA HA H 7.300 6.525 1.316 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_6qtf 1
. 7 . 416 . 1 1 4 ALA HB2 H 8.812 4.660 2.774 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_6qtf 1
. 7 . 417 . 1 1 4 ALA HB3 H 9.079 6.387 2.641 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_6qtf 1
. 7 . 418 . 1 1 4 ALA N N 5.996 6.228 2.893 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_6qtf 1
. 7 . 419 . 1 1 4 ALA O O 7.258 4.226 0.241 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_6qtf 1
. 7 . 420 . 1 1 5 THR C C 4.904 2.511 0.091 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qtf 1
. 7 . 421 . 1 1 5 THR CA C 5.674 2.298 1.391 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qtf 1
. 7 . 422 . 1 1 5 THR CB C 4.826 1.467 2.357 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qtf 1
. 7 . 423 . 1 1 5 THR CG2 C 4.797 0.011 1.891 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qtf 1
. 7 . 424 . 1 1 5 THR H H 5.668 3.792 2.888 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qtf 1
. 7 . 425 . 1 1 5 THR HA H 6.583 1.758 1.175 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qtf 1
. 7 . 426 . 1 1 5 THR HB H 3.819 1.855 2.376 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qtf 1
. 7 . 427 . 1 1 5 THR HG1 H 4.845 2.133 4.183 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qtf 1
. 7 . 428 . 1 1 5 THR HG21 H 3.869 -0.447 2.198 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qtf 1
. 7 . 429 . 1 1 5 THR HG22 H 5.626 -0.524 2.331 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qtf 1
. 7 . 430 . 1 1 5 THR HG23 H 4.877 -0.024 0.815 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qtf 1
. 7 . 431 . 1 1 5 THR N N 6.017 3.578 2.001 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qtf 1
. 7 . 432 . 1 1 5 THR O O 5.297 1.935 -0.909 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qtf 1
. 7 . 433 . 1 1 5 THR OXT O 3.931 3.247 0.116 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qtf 1
. 7 . 434 . 1 1 5 THR OG1 O 5.388 1.539 3.659 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qtf 1
. 8 . 435 . 1 1 1 . C C 5.810 4.569 5.876 . . . 1.0 . . . . . . . . . . . . A . 1 DCY C . . . . . . . . . rr_6qtf 1
. 8 . 436 . 1 1 1 . CA C 6.869 3.488 5.690 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CA . . . . . . . . . rr_6qtf 1
. 8 . 437 . 1 1 1 . CB C 8.197 4.111 5.235 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CB . . . . . . . . . rr_6qtf 1
. 8 . 438 . 1 1 1 . H H 6.370 2.012 7.073 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H . . . . . . . . . rr_6qtf 1
. 8 . 439 . 1 1 1 . H2 H 6.973 3.440 7.768 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H2 . . . . . . . . . rr_6qtf 1
. 8 . 440 . 1 1 1 . H3 H 8.029 2.355 6.996 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H3 . . . . . . . . . rr_6qtf 1
. 8 . 441 . 1 1 1 . HA H 6.531 2.788 4.940 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HA . . . . . . . . . rr_6qtf 1
. 8 . 442 . 1 1 1 . HB2 H 8.606 3.525 4.431 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB2 . . . . . . . . . rr_6qtf 1
. 8 . 443 . 1 1 1 . HB3 H 8.890 4.110 6.064 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB3 . . . . . . . . . rr_6qtf 1
. 8 . 444 . 1 1 1 . N N 7.076 2.769 6.979 . . . 1.0 . . . . . . . . . . . . A . 1 DCY N . . . . . . . . . rr_6qtf 1
. 8 . 445 . 1 1 1 . O O 4.694 4.443 5.375 . . . 1.0 . . . . . . . . . . . . A . 1 DCY O . . . . . . . . . rr_6qtf 1
. 8 . 446 . 1 1 1 . SG S 7.924 5.824 4.684 . . . 1.0 . . . . . . . . . . . . A . 1 DCY SG . . . . . . . . . rr_6qtf 1
. 8 . 447 . 1 1 2 LEU C C 4.841 7.310 5.445 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qtf 1
. 8 . 448 . 1 1 2 LEU CA C 5.255 6.748 6.800 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qtf 1
. 8 . 449 . 1 1 2 LEU CB C 5.942 7.840 7.623 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qtf 1
. 8 . 450 . 1 1 2 LEU CD1 C 4.787 7.884 9.837 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qtf 1
. 8 . 451 . 1 1 2 LEU CD2 C 5.335 10.024 8.670 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qtf 1
. 8 . 452 . 1 1 2 LEU CG C 4.901 8.570 8.474 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qtf 1
. 8 . 453 . 1 1 2 LEU H H 7.084 5.685 6.937 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qtf 1
. 8 . 454 . 1 1 2 LEU HA H 4.383 6.396 7.335 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qtf 1
. 8 . 455 . 1 1 2 LEU HB2 H 6.685 7.392 8.266 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qtf 1
. 8 . 456 . 1 1 2 LEU HB3 H 6.417 8.546 6.958 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qtf 1
. 8 . 457 . 1 1 2 LEU HD11 H 3.754 7.881 10.153 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qtf 1
. 8 . 458 . 1 1 2 LEU HD12 H 5.384 8.419 10.560 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qtf 1
. 8 . 459 . 1 1 2 LEU HD13 H 5.143 6.867 9.759 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qtf 1
. 8 . 460 . 1 1 2 LEU HD21 H 5.113 10.589 7.776 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qtf 1
. 8 . 461 . 1 1 2 LEU HD22 H 6.396 10.061 8.863 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qtf 1
. 8 . 462 . 1 1 2 LEU HD23 H 4.801 10.450 9.506 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qtf 1
. 8 . 463 . 1 1 2 LEU HG H 3.944 8.541 7.975 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qtf 1
. 8 . 464 . 1 1 2 LEU N N 6.176 5.637 6.580 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qtf 1
. 8 . 465 . 1 1 2 LEU O O 5.241 8.411 5.069 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qtf 1
. 8 . 466 . 1 1 3 GLY C C 4.757 6.470 2.377 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qtf 1
. 8 . 467 . 1 1 3 GLY CA C 3.671 6.909 3.358 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qtf 1
. 8 . 468 . 1 1 3 GLY H H 3.827 5.634 5.028 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qtf 1
. 8 . 469 . 1 1 3 GLY HA2 H 2.740 6.413 3.115 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qtf 1
. 8 . 470 . 1 1 3 GLY HA3 H 3.532 7.986 3.300 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qtf 1
. 8 . 471 . 1 1 3 GLY N N 4.083 6.518 4.694 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qtf 1
. 8 . 472 . 1 1 3 GLY O O 4.511 6.348 1.177 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qtf 1
. 8 . 473 . 1 1 4 ALA C C 6.796 4.462 1.360 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_6qtf 1
. 8 . 474 . 1 1 4 ALA CA C 7.088 5.790 2.072 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_6qtf 1
. 8 . 475 . 1 1 4 ALA CB C 8.356 5.661 2.925 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_6qtf 1
. 8 . 476 . 1 1 4 ALA H H 6.119 6.345 3.879 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_6qtf 1
. 8 . 477 . 1 1 4 ALA HA H 7.261 6.541 1.324 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_6qtf 1
. 8 . 478 . 1 1 4 ALA HB2 H 8.832 4.712 2.738 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_6qtf 1
. 8 . 479 . 1 1 4 ALA HB3 H 9.037 6.451 2.655 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_6qtf 1
. 8 . 480 . 1 1 4 ALA N N 5.971 6.224 2.907 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_6qtf 1
. 8 . 481 . 1 1 4 ALA O O 7.248 4.255 0.235 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_6qtf 1
. 8 . 482 . 1 1 5 THR C C 4.710 2.457 0.275 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qtf 1
. 8 . 483 . 1 1 5 THR CA C 5.733 2.279 1.392 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qtf 1
. 8 . 484 . 1 1 5 THR CB C 5.180 1.319 2.448 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qtf 1
. 8 . 485 . 1 1 5 THR CG2 C 6.266 0.320 2.849 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qtf 1
. 8 . 486 . 1 1 5 THR H H 5.708 3.759 2.899 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qtf 1
. 8 . 487 . 1 1 5 THR HA H 6.636 1.857 0.977 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qtf 1
. 8 . 488 . 1 1 5 THR HB H 4.335 0.785 2.043 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qtf 1
. 8 . 489 . 1 1 5 THR HG1 H 4.503 2.934 3.295 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qtf 1
. 8 . 490 . 1 1 5 THR HG21 H 6.023 -0.109 3.811 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qtf 1
. 8 . 491 . 1 1 5 THR HG22 H 7.217 0.826 2.910 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qtf 1
. 8 . 492 . 1 1 5 THR HG23 H 6.323 -0.466 2.110 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qtf 1
. 8 . 493 . 1 1 5 THR N N 6.050 3.563 2.006 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qtf 1
. 8 . 494 . 1 1 5 THR O O 4.053 3.484 0.258 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qtf 1
. 8 . 495 . 1 1 5 THR OXT O 4.600 1.563 -0.548 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qtf 1
. 8 . 496 . 1 1 5 THR OG1 O 4.771 2.060 3.589 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qtf 1
. 9 . 497 . 1 1 1 . C C 5.808 4.570 5.866 . . . 1.0 . . . . . . . . . . . . A . 1 DCY C . . . . . . . . . rr_6qtf 1
. 9 . 498 . 1 1 1 . CA C 6.862 3.484 5.674 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CA . . . . . . . . . rr_6qtf 1
. 9 . 499 . 1 1 1 . CB C 8.187 4.098 5.201 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CB . . . . . . . . . rr_6qtf 1
. 9 . 500 . 1 1 1 . H H 7.476 1.828 6.777 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H . . . . . . . . . rr_6qtf 1
. 9 . 501 . 1 1 1 . H2 H 6.173 2.675 7.464 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H2 . . . . . . . . . rr_6qtf 1
. 9 . 502 . 1 1 1 . H3 H 7.745 3.313 7.552 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H3 . . . . . . . . . rr_6qtf 1
. 9 . 503 . 1 1 1 . HA H 6.513 2.781 4.931 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HA . . . . . . . . . rr_6qtf 1
. 9 . 504 . 1 1 1 . HB2 H 8.573 3.517 4.381 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB2 . . . . . . . . . rr_6qtf 1
. 9 . 505 . 1 1 1 . HB3 H 8.897 4.080 6.015 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB3 . . . . . . . . . rr_6qtf 1
. 9 . 506 . 1 1 1 . N N 7.080 2.771 6.964 . . . 1.0 . . . . . . . . . . . . A . 1 DCY N . . . . . . . . . rr_6qtf 1
. 9 . 507 . 1 1 1 . O O 4.694 4.454 5.359 . . . 1.0 . . . . . . . . . . . . A . 1 DCY O . . . . . . . . . rr_6qtf 1
. 9 . 508 . 1 1 1 . SG S 7.923 5.819 4.674 . . . 1.0 . . . . . . . . . . . . A . 1 DCY SG . . . . . . . . . rr_6qtf 1
. 9 . 509 . 1 1 2 LEU C C 4.845 7.313 5.451 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qtf 1
. 9 . 510 . 1 1 2 LEU CA C 5.254 6.743 6.804 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qtf 1
. 9 . 511 . 1 1 2 LEU CB C 5.938 7.831 7.635 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qtf 1
. 9 . 512 . 1 1 2 LEU CD1 C 6.843 6.249 9.345 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qtf 1
. 9 . 513 . 1 1 2 LEU CD2 C 6.376 8.623 9.963 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qtf 1
. 9 . 514 . 1 1 2 LEU CG C 5.910 7.438 9.113 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qtf 1
. 9 . 515 . 1 1 2 LEU H H 7.081 5.674 6.944 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qtf 1
. 9 . 516 . 1 1 2 LEU HA H 4.381 6.389 7.333 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qtf 1
. 9 . 517 . 1 1 2 LEU HB2 H 6.963 7.941 7.310 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qtf 1
. 9 . 518 . 1 1 2 LEU HB3 H 5.416 8.767 7.503 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qtf 1
. 9 . 519 . 1 1 2 LEU HD11 H 7.808 6.458 8.907 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qtf 1
. 9 . 520 . 1 1 2 LEU HD12 H 6.423 5.367 8.884 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qtf 1
. 9 . 521 . 1 1 2 LEU HD13 H 6.957 6.081 10.405 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qtf 1
. 9 . 522 . 1 1 2 LEU HD21 H 6.902 9.330 9.338 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qtf 1
. 9 . 523 . 1 1 2 LEU HD22 H 7.035 8.270 10.741 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qtf 1
. 9 . 524 . 1 1 2 LEU HD23 H 5.519 9.106 10.409 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qtf 1
. 9 . 525 . 1 1 2 LEU HG H 4.903 7.166 9.394 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qtf 1
. 9 . 526 . 1 1 2 LEU N N 6.174 5.631 6.580 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qtf 1
. 9 . 527 . 1 1 2 LEU O O 5.254 8.412 5.079 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qtf 1
. 9 . 528 . 1 1 3 GLY C C 4.754 6.487 2.377 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qtf 1
. 9 . 529 . 1 1 3 GLY CA C 3.672 6.929 3.363 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qtf 1
. 9 . 530 . 1 1 3 GLY H H 3.817 5.646 5.028 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qtf 1
. 9 . 531 . 1 1 3 GLY HA2 H 2.738 6.439 3.118 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qtf 1
. 9 . 532 . 1 1 3 GLY HA3 H 3.538 8.007 3.310 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qtf 1
. 9 . 533 . 1 1 3 GLY N N 4.081 6.530 4.697 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qtf 1
. 9 . 534 . 1 1 3 GLY O O 4.506 6.376 1.177 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qtf 1
. 9 . 535 . 1 1 4 ALA C C 6.789 4.460 1.360 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_6qtf 1
. 9 . 536 . 1 1 4 ALA CA C 7.079 5.793 2.065 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_6qtf 1
. 9 . 537 . 1 1 4 ALA CB C 8.353 5.676 2.912 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_6qtf 1
. 9 . 538 . 1 1 4 ALA H H 6.116 6.342 3.876 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_6qtf 1
. 9 . 539 . 1 1 4 ALA HA H 7.244 6.540 1.312 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_6qtf 1
. 9 . 540 . 1 1 4 ALA HB2 H 8.843 4.737 2.716 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_6qtf 1
. 9 . 541 . 1 1 4 ALA HB3 H 9.020 6.479 2.647 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_6qtf 1
. 9 . 542 . 1 1 4 ALA N N 5.965 6.229 2.904 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_6qtf 1
. 9 . 543 . 1 1 4 ALA O O 7.223 4.258 0.225 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_6qtf 1
. 9 . 544 . 1 1 5 THR C C 4.800 2.449 0.226 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qtf 1
. 9 . 545 . 1 1 5 THR CA C 5.749 2.265 1.406 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qtf 1
. 9 . 546 . 1 1 5 THR CB C 5.107 1.339 2.441 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qtf 1
. 9 . 547 . 1 1 5 THR CG2 C 4.071 2.118 3.252 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qtf 1
. 9 . 548 . 1 1 5 THR H H 5.733 3.743 2.914 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qtf 1
. 9 . 549 . 1 1 5 THR HA H 6.663 1.812 1.053 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qtf 1
. 9 . 550 . 1 1 5 THR HB H 5.867 0.959 3.106 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qtf 1
. 9 . 551 . 1 1 5 THR HG1 H 3.524 0.385 1.832 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qtf 1
. 9 . 552 . 1 1 5 THR HG21 H 4.472 2.341 4.229 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qtf 1
. 9 . 553 . 1 1 5 THR HG22 H 3.175 1.523 3.359 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qtf 1
. 9 . 554 . 1 1 5 THR HG23 H 3.832 3.039 2.742 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qtf 1
. 9 . 555 . 1 1 5 THR N N 6.063 3.552 2.016 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qtf 1
. 9 . 556 . 1 1 5 THR O O 3.963 3.334 0.297 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qtf 1
. 9 . 557 . 1 1 5 THR OXT O 4.924 1.702 -0.730 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qtf 1
. 9 . 558 . 1 1 5 THR OG1 O 4.474 0.255 1.775 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qtf 1
. 10 . 559 . 1 1 1 . C C 5.835 4.561 5.816 . . . 1.0 . . . . . . . . . . . . A . 1 DCY C . . . . . . . . . rr_6qtf 1
. 10 . 560 . 1 1 1 . CA C 6.915 3.497 5.646 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CA . . . . . . . . . rr_6qtf 1
. 10 . 561 . 1 1 1 . CB C 8.243 4.147 5.232 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CB . . . . . . . . . rr_6qtf 1
. 10 . 562 . 1 1 1 . H H 7.785 3.281 7.525 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H . . . . . . . . . rr_6qtf 1
. 10 . 563 . 1 1 1 . H2 H 7.450 1.811 6.742 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H2 . . . . . . . . . rr_6qtf 1
. 10 . 564 . 1 1 1 . H3 H 6.189 2.715 7.432 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H3 . . . . . . . . . rr_6qtf 1
. 10 . 565 . 1 1 1 . HA H 6.609 2.798 4.880 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HA . . . . . . . . . rr_6qtf 1
. 10 . 566 . 1 1 1 . HB2 H 8.692 3.566 4.444 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB2 . . . . . . . . . rr_6qtf 1
. 10 . 567 . 1 1 1 . HB3 H 8.909 4.164 6.084 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB3 . . . . . . . . . rr_6qtf 1
. 10 . 568 . 1 1 1 . N N 7.098 2.771 6.933 . . . 1.0 . . . . . . . . . . . . A . 1 DCY N . . . . . . . . . rr_6qtf 1
. 10 . 569 . 1 1 1 . O O 4.751 4.450 5.244 . . . 1.0 . . . . . . . . . . . . A . 1 DCY O . . . . . . . . . rr_6qtf 1
. 10 . 570 . 1 1 1 . SG S 7.951 5.852 4.663 . . . 1.0 . . . . . . . . . . . . A . 1 DCY SG . . . . . . . . . rr_6qtf 1
. 10 . 571 . 1 1 2 LEU C C 4.824 7.286 5.456 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qtf 1
. 10 . 572 . 1 1 2 LEU CA C 5.202 6.691 6.807 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qtf 1
. 10 . 573 . 1 1 2 LEU CB C 5.845 7.769 7.683 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qtf 1
. 10 . 574 . 1 1 2 LEU CD1 C 5.463 9.253 9.655 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qtf 1
. 10 . 575 . 1 1 2 LEU CD2 C 3.847 9.266 7.750 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qtf 1
. 10 . 576 . 1 1 2 LEU CG C 4.784 8.392 8.590 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qtf 1
. 10 . 577 . 1 1 2 LEU H H 7.031 5.636 7.006 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qtf 1
. 10 . 578 . 1 1 2 LEU HA H 4.318 6.314 7.301 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qtf 1
. 10 . 579 . 1 1 2 LEU HB2 H 6.621 7.323 8.289 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qtf 1
. 10 . 580 . 1 1 2 LEU HB3 H 6.274 8.535 7.055 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qtf 1
. 10 . 581 . 1 1 2 LEU HD11 H 4.713 9.715 10.279 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qtf 1
. 10 . 582 . 1 1 2 LEU HD12 H 6.055 10.020 9.176 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qtf 1
. 10 . 583 . 1 1 2 LEU HD13 H 6.105 8.632 10.264 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qtf 1
. 10 . 584 . 1 1 2 LEU HD21 H 3.372 8.658 6.993 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qtf 1
. 10 . 585 . 1 1 2 LEU HD22 H 4.417 10.051 7.277 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qtf 1
. 10 . 586 . 1 1 2 LEU HD23 H 3.093 9.701 8.389 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qtf 1
. 10 . 587 . 1 1 2 LEU HG H 4.214 7.609 9.071 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qtf 1
. 10 . 588 . 1 1 2 LEU N N 6.147 5.598 6.590 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qtf 1
. 10 . 589 . 1 1 2 LEU O O 5.247 8.389 5.110 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qtf 1
. 10 . 590 . 1 1 3 GLY C C 4.775 6.484 2.362 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qtf 1
. 10 . 591 . 1 1 3 GLY CA C 3.693 6.950 3.338 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qtf 1
. 10 . 592 . 1 1 3 GLY H H 3.796 5.635 4.980 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qtf 1
. 10 . 593 . 1 1 3 GLY HA2 H 2.748 6.491 3.074 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qtf 1
. 10 . 594 . 1 1 3 GLY HA3 H 3.592 8.032 3.296 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qtf 1
. 10 . 595 . 1 1 3 GLY N N 4.071 6.523 4.672 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qtf 1
. 10 . 596 . 1 1 3 GLY O O 4.518 6.323 1.170 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qtf 1
. 10 . 597 . 1 1 4 ALA C C 6.790 4.453 1.377 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_6qtf 1
. 10 . 598 . 1 1 4 ALA CA C 7.101 5.797 2.054 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_6qtf 1
. 10 . 599 . 1 1 4 ALA CB C 8.375 5.676 2.902 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_6qtf 1
. 10 . 600 . 1 1 4 ALA H H 6.154 6.405 3.853 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_6qtf 1
. 10 . 601 . 1 1 4 ALA HA H 7.274 6.530 1.286 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_6qtf 1
. 10 . 602 . 1 1 4 ALA HB2 H 8.850 4.726 2.721 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_6qtf 1
. 10 . 603 . 1 1 4 ALA HB3 H 9.054 6.465 2.624 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_6qtf 1
. 10 . 604 . 1 1 4 ALA N N 5.994 6.258 2.887 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_6qtf 1
. 10 . 605 . 1 1 4 ALA O O 7.228 4.216 0.250 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_6qtf 1
. 10 . 606 . 1 1 5 THR C C 4.316 2.317 0.844 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qtf 1
. 10 . 607 . 1 1 5 THR CA C 5.706 2.279 1.469 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qtf 1
. 10 . 608 . 1 1 5 THR CB C 5.752 1.189 2.544 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qtf 1
. 10 . 609 . 1 1 5 THR CG2 C 7.208 0.825 2.841 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qtf 1
. 10 . 610 . 1 1 5 THR H H 5.711 3.795 2.940 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qtf 1
. 10 . 611 . 1 1 5 THR HA H 6.428 2.043 0.704 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qtf 1
. 10 . 612 . 1 1 5 THR HB H 5.233 0.312 2.189 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qtf 1
. 10 . 613 . 1 1 5 THR HG1 H 5.685 1.425 4.473 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qtf 1
. 10 . 614 . 1 1 5 THR HG21 H 7.863 1.539 2.365 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qtf 1
. 10 . 615 . 1 1 5 THR HG22 H 7.416 -0.164 2.461 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qtf 1
. 10 . 616 . 1 1 5 THR HG23 H 7.373 0.841 3.909 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qtf 1
. 10 . 617 . 1 1 5 THR N N 6.041 3.575 2.050 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qtf 1
. 10 . 618 . 1 1 5 THR O O 3.351 2.269 1.591 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qtf 1
. 10 . 619 . 1 1 5 THR OXT O 4.234 2.391 -0.371 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qtf 1
. 10 . 620 . 1 1 5 THR OG1 O 5.127 1.663 3.728 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qtf 1
. 11 . 621 . 1 1 1 . C C 5.834 4.565 5.809 . . . 1.0 . . . . . . . . . . . . A . 1 DCY C . . . . . . . . . rr_6qtf 1
. 11 . 622 . 1 1 1 . CA C 6.912 3.499 5.633 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CA . . . . . . . . . rr_6qtf 1
. 11 . 623 . 1 1 1 . CB C 8.234 4.139 5.185 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CB . . . . . . . . . rr_6qtf 1
. 11 . 624 . 1 1 1 . H H 7.906 2.113 6.827 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H . . . . . . . . . rr_6qtf 1
. 11 . 625 . 1 1 1 . H2 H 6.253 2.275 7.182 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H2 . . . . . . . . . rr_6qtf 1
. 11 . 626 . 1 1 1 . H3 H 7.350 3.478 7.668 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H3 . . . . . . . . . rr_6qtf 1
. 11 . 627 . 1 1 1 . HA H 6.589 2.792 4.884 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HA . . . . . . . . . rr_6qtf 1
. 11 . 628 . 1 1 1 . HB2 H 8.654 3.558 4.382 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB2 . . . . . . . . . rr_6qtf 1
. 11 . 629 . 1 1 1 . HB3 H 8.924 4.144 6.018 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB3 . . . . . . . . . rr_6qtf 1
. 11 . 630 . 1 1 1 . N N 7.121 2.788 6.925 . . . 1.0 . . . . . . . . . . . . A . 1 DCY N . . . . . . . . . rr_6qtf 1
. 11 . 631 . 1 1 1 . O O 4.754 4.464 5.230 . . . 1.0 . . . . . . . . . . . . A . 1 DCY O . . . . . . . . . rr_6qtf 1
. 11 . 632 . 1 1 1 . SG S 7.948 5.849 4.636 . . . 1.0 . . . . . . . . . . . . A . 1 DCY SG . . . . . . . . . rr_6qtf 1
. 11 . 633 . 1 1 2 LEU C C 4.819 7.297 5.478 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qtf 1
. 11 . 634 . 1 1 2 LEU CA C 5.192 6.681 6.823 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qtf 1
. 11 . 635 . 1 1 2 LEU CB C 5.822 7.749 7.721 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qtf 1
. 11 . 636 . 1 1 2 LEU CD1 C 6.746 8.187 10.000 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qtf 1
. 11 . 637 . 1 1 2 LEU CD2 C 4.489 7.148 9.747 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qtf 1
. 11 . 638 . 1 1 2 LEU CG C 5.899 7.231 9.158 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qtf 1
. 11 . 639 . 1 1 2 LEU H H 7.021 5.625 7.024 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qtf 1
. 11 . 640 . 1 1 2 LEU HA H 4.306 6.293 7.308 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qtf 1
. 11 . 641 . 1 1 2 LEU HB2 H 6.817 7.977 7.365 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qtf 1
. 11 . 642 . 1 1 2 LEU HB3 H 5.218 8.643 7.696 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qtf 1
. 11 . 643 . 1 1 2 LEU HD11 H 6.306 8.291 10.981 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qtf 1
. 11 . 644 . 1 1 2 LEU HD12 H 6.786 9.152 9.518 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qtf 1
. 11 . 645 . 1 1 2 LEU HD13 H 7.747 7.791 10.096 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qtf 1
. 11 . 646 . 1 1 2 LEU HD21 H 3.831 7.806 9.199 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qtf 1
. 11 . 647 . 1 1 2 LEU HD22 H 4.514 7.447 10.785 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qtf 1
. 11 . 648 . 1 1 2 LEU HD23 H 4.126 6.133 9.674 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qtf 1
. 11 . 649 . 1 1 2 LEU HG H 6.353 6.250 9.163 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qtf 1
. 11 . 650 . 1 1 2 LEU N N 6.141 5.593 6.599 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qtf 1
. 11 . 651 . 1 1 2 LEU O O 5.234 8.411 5.158 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qtf 1
. 11 . 652 . 1 1 3 GLY C C 4.771 6.525 2.358 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qtf 1
. 11 . 653 . 1 1 3 GLY CA C 3.700 6.989 3.345 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qtf 1
. 11 . 654 . 1 1 3 GLY H H 3.804 5.647 4.968 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qtf 1
. 11 . 655 . 1 1 3 GLY HA2 H 2.749 6.545 3.081 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qtf 1
. 11 . 656 . 1 1 3 GLY HA3 H 3.610 8.073 3.317 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qtf 1
. 11 . 657 . 1 1 3 GLY N N 4.075 6.542 4.675 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qtf 1
. 11 . 658 . 1 1 3 GLY O O 4.515 6.408 1.160 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qtf 1
. 11 . 659 . 1 1 4 ALA C C 6.777 4.445 1.363 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_6qtf 1
. 11 . 660 . 1 1 4 ALA CA C 7.083 5.792 2.036 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_6qtf 1
. 11 . 661 . 1 1 4 ALA CB C 8.364 5.685 2.873 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_6qtf 1
. 11 . 662 . 1 1 4 ALA H H 6.142 6.370 3.849 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_6qtf 1
. 11 . 663 . 1 1 4 ALA HA H 7.245 6.523 1.265 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_6qtf 1
. 11 . 664 . 1 1 4 ALA HB2 H 8.852 4.743 2.684 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_6qtf 1
. 11 . 665 . 1 1 4 ALA HB3 H 9.028 6.484 2.593 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_6qtf 1
. 11 . 666 . 1 1 4 ALA N N 5.982 6.253 2.878 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_6qtf 1
. 11 . 667 . 1 1 4 ALA O O 7.188 4.218 0.225 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_6qtf 1
. 11 . 668 . 1 1 5 THR C C 4.581 2.385 0.481 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qtf 1
. 11 . 669 . 1 1 5 THR CA C 5.729 2.252 1.475 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qtf 1
. 11 . 670 . 1 1 5 THR CB C 5.336 1.274 2.585 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qtf 1
. 11 . 671 . 1 1 5 THR CG2 C 6.563 0.471 3.021 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qtf 1
. 11 . 672 . 1 1 5 THR H H 5.747 3.762 2.951 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qtf 1
. 11 . 673 . 1 1 5 THR HA H 6.596 1.866 0.961 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qtf 1
. 11 . 674 . 1 1 5 THR HB H 4.581 0.596 2.217 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qtf 1
. 11 . 675 . 1 1 5 THR HG1 H 5.193 1.620 4.493 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qtf 1
. 11 . 676 . 1 1 5 THR HG21 H 6.257 -0.310 3.703 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qtf 1
. 11 . 677 . 1 1 5 THR HG22 H 7.264 1.126 3.516 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qtf 1
. 11 . 678 . 1 1 5 THR HG23 H 7.032 0.030 2.154 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qtf 1
. 11 . 679 . 1 1 5 THR N N 6.059 3.551 2.051 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qtf 1
. 11 . 680 . 1 1 5 THR O O 3.950 3.428 0.470 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qtf 1
. 11 . 681 . 1 1 5 THR OXT O 4.349 1.440 -0.255 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qtf 1
. 11 . 682 . 1 1 5 THR OG1 O 4.822 1.999 3.694 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qtf 1
. 12 . 683 . 1 1 1 . C C 5.811 4.571 5.882 . . . 1.0 . . . . . . . . . . . . A . 1 DCY C . . . . . . . . . rr_6qtf 1
. 12 . 684 . 1 1 1 . CA C 6.869 3.489 5.696 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CA . . . . . . . . . rr_6qtf 1
. 12 . 685 . 1 1 1 . CB C 8.195 4.108 5.234 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CB . . . . . . . . . rr_6qtf 1
. 12 . 686 . 1 1 1 . H H 7.620 1.903 6.815 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H . . . . . . . . . rr_6qtf 1
. 12 . 687 . 1 1 1 . H2 H 6.158 2.537 7.405 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H2 . . . . . . . . . rr_6qtf 1
. 12 . 688 . 1 1 1 . H3 H 7.612 3.386 7.638 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H3 . . . . . . . . . rr_6qtf 1
. 12 . 689 . 1 1 1 . HA H 6.527 2.787 4.948 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HA . . . . . . . . . rr_6qtf 1
. 12 . 690 . 1 1 1 . HB2 H 8.599 3.520 4.427 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB2 . . . . . . . . . rr_6qtf 1
. 12 . 691 . 1 1 1 . HB3 H 8.893 4.106 6.059 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB3 . . . . . . . . . rr_6qtf 1
. 12 . 692 . 1 1 1 . N N 7.080 2.774 6.985 . . . 1.0 . . . . . . . . . . . . A . 1 DCY N . . . . . . . . . rr_6qtf 1
. 12 . 693 . 1 1 1 . O O 4.693 4.443 5.386 . . . 1.0 . . . . . . . . . . . . A . 1 DCY O . . . . . . . . . rr_6qtf 1
. 12 . 694 . 1 1 1 . SG S 7.926 5.821 4.683 . . . 1.0 . . . . . . . . . . . . A . 1 DCY SG . . . . . . . . . rr_6qtf 1
. 12 . 695 . 1 1 2 LEU C C 4.841 7.311 5.445 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qtf 1
. 12 . 696 . 1 1 2 LEU CA C 5.255 6.753 6.801 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qtf 1
. 12 . 697 . 1 1 2 LEU CB C 5.938 7.849 7.623 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qtf 1
. 12 . 698 . 1 1 2 LEU CD1 C 7.088 8.352 9.786 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qtf 1
. 12 . 699 . 1 1 2 LEU CD2 C 5.000 6.976 9.765 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qtf 1
. 12 . 700 . 1 1 2 LEU CG C 6.289 7.303 9.007 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qtf 1
. 12 . 701 . 1 1 2 LEU H H 7.087 5.693 6.936 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qtf 1
. 12 . 702 . 1 1 2 LEU HA H 4.384 6.400 7.335 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qtf 1
. 12 . 703 . 1 1 2 LEU HB2 H 6.841 8.165 7.120 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qtf 1
. 12 . 704 . 1 1 2 LEU HB3 H 5.269 8.690 7.728 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qtf 1
. 12 . 705 . 1 1 2 LEU HD11 H 7.280 9.204 9.151 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qtf 1
. 12 . 706 . 1 1 2 LEU HD12 H 8.026 7.924 10.107 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qtf 1
. 12 . 707 . 1 1 2 LEU HD13 H 6.522 8.668 10.650 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qtf 1
. 12 . 708 . 1 1 2 LEU HD21 H 5.112 7.254 10.803 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qtf 1
. 12 . 709 . 1 1 2 LEU HD22 H 4.801 5.917 9.697 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qtf 1
. 12 . 710 . 1 1 2 LEU HD23 H 4.178 7.525 9.332 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qtf 1
. 12 . 711 . 1 1 2 LEU HG H 6.883 6.407 8.900 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qtf 1
. 12 . 712 . 1 1 2 LEU N N 6.178 5.642 6.582 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qtf 1
. 12 . 713 . 1 1 2 LEU O O 5.239 8.412 5.066 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qtf 1
. 12 . 714 . 1 1 3 GLY C C 4.759 6.461 2.379 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qtf 1
. 12 . 715 . 1 1 3 GLY CA C 3.672 6.901 3.360 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qtf 1
. 12 . 716 . 1 1 3 GLY H H 3.831 5.633 5.034 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qtf 1
. 12 . 717 . 1 1 3 GLY HA2 H 2.743 6.400 3.119 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qtf 1
. 12 . 718 . 1 1 3 GLY HA3 H 3.529 7.977 3.298 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qtf 1
. 12 . 719 . 1 1 3 GLY N N 4.085 6.515 4.697 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qtf 1
. 12 . 720 . 1 1 3 GLY O O 4.510 6.329 1.181 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qtf 1
. 12 . 721 . 1 1 4 ALA C C 6.794 4.464 1.357 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_6qtf 1
. 12 . 722 . 1 1 4 ALA CA C 7.091 5.790 2.072 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_6qtf 1
. 12 . 723 . 1 1 4 ALA CB C 8.359 5.657 2.925 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_6qtf 1
. 12 . 724 . 1 1 4 ALA H H 6.125 6.350 3.878 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_6qtf 1
. 12 . 725 . 1 1 4 ALA HA H 7.264 6.541 1.326 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_6qtf 1
. 12 . 726 . 1 1 4 ALA HB2 H 8.834 4.708 2.738 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_6qtf 1
. 12 . 727 . 1 1 4 ALA HB3 H 9.041 6.445 2.656 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_6qtf 1
. 12 . 728 . 1 1 4 ALA N N 5.974 6.224 2.907 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_6qtf 1
. 12 . 729 . 1 1 4 ALA O O 7.234 4.263 0.225 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_6qtf 1
. 12 . 730 . 1 1 5 THR C C 4.665 2.463 0.306 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qtf 1
. 12 . 731 . 1 1 5 THR CA C 5.729 2.282 1.384 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qtf 1
. 12 . 732 . 1 1 5 THR CB C 5.223 1.302 2.446 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qtf 1
. 12 . 733 . 1 1 5 THR CG2 C 6.399 0.815 3.293 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qtf 1
. 12 . 734 . 1 1 5 THR H H 5.717 3.754 2.901 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qtf 1
. 12 . 735 . 1 1 5 THR HA H 6.621 1.875 0.933 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qtf 1
. 12 . 736 . 1 1 5 THR HB H 4.758 0.456 1.963 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qtf 1
. 12 . 737 . 1 1 5 THR HG1 H 4.036 1.352 3.985 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qtf 1
. 12 . 738 . 1 1 5 THR HG21 H 7.210 1.525 3.224 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qtf 1
. 12 . 739 . 1 1 5 THR HG22 H 6.730 -0.146 2.930 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qtf 1
. 12 . 740 . 1 1 5 THR HG23 H 6.087 0.723 4.323 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qtf 1
. 12 . 741 . 1 1 5 THR N N 6.052 3.562 2.004 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qtf 1
. 12 . 742 . 1 1 5 THR O O 4.386 3.599 -0.037 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qtf 1
. 12 . 743 . 1 1 5 THR OXT O 4.145 1.462 -0.159 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qtf 1
. 12 . 744 . 1 1 5 THR OG1 O 4.275 1.955 3.278 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qtf 1
. 13 . 745 . 1 1 1 . C C 5.815 4.571 5.887 . . . 1.0 . . . . . . . . . . . . A . 1 DCY C . . . . . . . . . rr_6qtf 1
. 13 . 746 . 1 1 1 . CA C 6.880 3.496 5.700 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CA . . . . . . . . . rr_6qtf 1
. 13 . 747 . 1 1 1 . CB C 8.207 4.131 5.261 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CB . . . . . . . . . rr_6qtf 1
. 13 . 748 . 1 1 1 . H H 7.491 3.416 7.689 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H . . . . . . . . . rr_6qtf 1
. 13 . 749 . 1 1 1 . H2 H 7.729 1.969 6.833 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H2 . . . . . . . . . rr_6qtf 1
. 13 . 750 . 1 1 1 . H3 H 6.168 2.416 7.332 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H3 . . . . . . . . . rr_6qtf 1
. 13 . 751 . 1 1 1 . HA H 6.552 2.800 4.943 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HA . . . . . . . . . rr_6qtf 1
. 13 . 752 . 1 1 1 . HB2 H 8.638 3.540 4.470 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB2 . . . . . . . . . rr_6qtf 1
. 13 . 753 . 1 1 1 . HB3 H 8.887 4.148 6.101 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB3 . . . . . . . . . rr_6qtf 1
. 13 . 754 . 1 1 1 . N N 7.082 2.770 6.986 . . . 1.0 . . . . . . . . . . . . A . 1 DCY N . . . . . . . . . rr_6qtf 1
. 13 . 755 . 1 1 1 . O O 4.698 4.438 5.390 . . . 1.0 . . . . . . . . . . . . A . 1 DCY O . . . . . . . . . rr_6qtf 1
. 13 . 756 . 1 1 1 . SG S 7.923 5.833 4.686 . . . 1.0 . . . . . . . . . . . . A . 1 DCY SG . . . . . . . . . rr_6qtf 1
. 13 . 757 . 1 1 2 LEU C C 4.837 7.308 5.445 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qtf 1
. 13 . 758 . 1 1 2 LEU CA C 5.247 6.749 6.802 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qtf 1
. 13 . 759 . 1 1 2 LEU CB C 5.919 7.846 7.632 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qtf 1
. 13 . 760 . 1 1 2 LEU CD1 C 3.851 8.147 8.999 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qtf 1
. 13 . 761 . 1 1 2 LEU CD2 C 5.558 6.450 9.675 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qtf 1
. 13 . 762 . 1 1 2 LEU CG C 5.347 7.834 9.051 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qtf 1
. 13 . 763 . 1 1 2 LEU H H 7.085 5.700 6.938 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qtf 1
. 13 . 764 . 1 1 2 LEU HA H 4.374 6.389 7.330 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qtf 1
. 13 . 765 . 1 1 2 LEU HB2 H 6.984 7.668 7.671 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qtf 1
. 13 . 766 . 1 1 2 LEU HB3 H 5.731 8.807 7.180 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qtf 1
. 13 . 767 . 1 1 2 LEU HD11 H 3.287 7.228 9.055 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qtf 1
. 13 . 768 . 1 1 2 LEU HD12 H 3.621 8.656 8.075 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qtf 1
. 13 . 769 . 1 1 2 LEU HD13 H 3.588 8.782 9.833 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qtf 1
. 13 . 770 . 1 1 2 LEU HD21 H 6.236 6.532 10.512 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qtf 1
. 13 . 771 . 1 1 2 LEU HD22 H 5.977 5.781 8.936 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qtf 1
. 13 . 772 . 1 1 2 LEU HD23 H 4.611 6.059 10.017 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qtf 1
. 13 . 773 . 1 1 2 LEU HG H 5.851 8.580 9.648 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qtf 1
. 13 . 774 . 1 1 2 LEU N N 6.176 5.644 6.584 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qtf 1
. 13 . 775 . 1 1 2 LEU O O 5.236 8.410 5.067 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qtf 1
. 13 . 776 . 1 1 3 GLY C C 4.763 6.460 2.377 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qtf 1
. 13 . 777 . 1 1 3 GLY CA C 3.675 6.900 3.357 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qtf 1
. 13 . 778 . 1 1 3 GLY H H 3.828 5.629 5.030 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qtf 1
. 13 . 779 . 1 1 3 GLY HA2 H 2.746 6.400 3.112 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qtf 1
. 13 . 780 . 1 1 3 GLY HA3 H 3.532 7.975 3.296 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qtf 1
. 13 . 781 . 1 1 3 GLY N N 4.083 6.512 4.694 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qtf 1
. 13 . 782 . 1 1 3 GLY O O 4.517 6.331 1.177 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qtf 1
. 13 . 783 . 1 1 4 ALA C C 6.799 4.460 1.358 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_6qtf 1
. 13 . 784 . 1 1 4 ALA CA C 7.095 5.786 2.074 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_6qtf 1
. 13 . 785 . 1 1 4 ALA CB C 8.360 5.651 2.929 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_6qtf 1
. 13 . 786 . 1 1 4 ALA H H 6.127 6.345 3.878 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_6qtf 1
. 13 . 787 . 1 1 4 ALA HA H 7.271 6.539 1.327 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_6qtf 1
. 13 . 788 . 1 1 4 ALA HB2 H 8.827 4.695 2.751 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_6qtf 1
. 13 . 789 . 1 1 4 ALA HB3 H 9.049 6.430 2.655 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_6qtf 1
. 13 . 790 . 1 1 4 ALA N N 5.977 6.221 2.907 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_6qtf 1
. 13 . 791 . 1 1 4 ALA O O 7.254 4.252 0.233 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_6qtf 1
. 13 . 792 . 1 1 5 THR C C 4.933 2.494 0.089 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qtf 1
. 13 . 793 . 1 1 5 THR CA C 5.719 2.283 1.380 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qtf 1
. 13 . 794 . 1 1 5 THR CB C 4.894 1.430 2.347 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qtf 1
. 13 . 795 . 1 1 5 THR CG2 C 5.803 0.414 3.039 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qtf 1
. 13 . 796 . 1 1 5 THR H H 5.697 3.763 2.890 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qtf 1
. 13 . 797 . 1 1 5 THR HA H 6.635 1.763 1.151 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qtf 1
. 13 . 798 . 1 1 5 THR HB H 4.126 0.906 1.799 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qtf 1
. 13 . 799 . 1 1 5 THR HG1 H 3.820 2.969 2.859 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qtf 1
. 13 . 800 . 1 1 5 THR HG21 H 5.249 -0.096 3.813 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qtf 1
. 13 . 801 . 1 1 5 THR HG22 H 6.647 0.926 3.478 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qtf 1
. 13 . 802 . 1 1 5 THR HG23 H 6.155 -0.305 2.315 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qtf 1
. 13 . 803 . 1 1 5 THR N N 6.041 3.565 1.997 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qtf 1
. 13 . 804 . 1 1 5 THR O O 3.715 2.528 0.159 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qtf 1
. 13 . 805 . 1 1 5 THR OXT O 5.560 2.617 -0.950 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qtf 1
. 13 . 806 . 1 1 5 THR OG1 O 4.290 2.271 3.320 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qtf 1
. 14 . 807 . 1 1 1 . C C 5.829 4.568 5.840 . . . 1.0 . . . . . . . . . . . . A . 1 DCY C . . . . . . . . . rr_6qtf 1
. 14 . 808 . 1 1 1 . CA C 6.900 3.496 5.659 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CA . . . . . . . . . rr_6qtf 1
. 14 . 809 . 1 1 1 . CB C 8.220 4.122 5.191 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CB . . . . . . . . . rr_6qtf 1
. 14 . 810 . 1 1 1 . H H 6.400 2.054 7.076 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H . . . . . . . . . rr_6qtf 1
. 14 . 811 . 1 1 1 . H2 H 7.050 3.479 7.736 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H2 . . . . . . . . . rr_6qtf 1
. 14 . 812 . 1 1 1 . H3 H 8.064 2.360 6.958 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H3 . . . . . . . . . rr_6qtf 1
. 14 . 813 . 1 1 1 . HA H 6.564 2.785 4.919 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HA . . . . . . . . . rr_6qtf 1
. 14 . 814 . 1 1 1 . HB2 H 8.622 3.538 4.382 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB2 . . . . . . . . . rr_6qtf 1
. 14 . 815 . 1 1 1 . HB3 H 8.924 4.122 6.012 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB3 . . . . . . . . . rr_6qtf 1
. 14 . 816 . 1 1 1 . N N 7.120 2.794 6.955 . . . 1.0 . . . . . . . . . . . . A . 1 DCY N . . . . . . . . . rr_6qtf 1
. 14 . 817 . 1 1 1 . O O 4.736 4.456 5.286 . . . 1.0 . . . . . . . . . . . . A . 1 DCY O . . . . . . . . . rr_6qtf 1
. 14 . 818 . 1 1 1 . SG S 7.941 5.834 4.644 . . . 1.0 . . . . . . . . . . . . A . 1 DCY SG . . . . . . . . . rr_6qtf 1
. 14 . 819 . 1 1 2 LEU C C 4.826 7.303 5.469 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qtf 1
. 14 . 820 . 1 1 2 LEU CA C 5.211 6.707 6.819 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qtf 1
. 14 . 821 . 1 1 2 LEU CB C 5.851 7.789 7.694 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qtf 1
. 14 . 822 . 1 1 2 LEU CD1 C 8.007 9.033 7.904 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qtf 1
. 14 . 823 . 1 1 2 LEU CD2 C 7.852 6.662 8.674 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qtf 1
. 14 . 824 . 1 1 2 LEU CG C 7.375 7.668 7.625 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qtf 1
. 14 . 825 . 1 1 2 LEU H H 7.044 5.653 7.001 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qtf 1
. 14 . 826 . 1 1 2 LEU HA H 4.329 6.328 7.317 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qtf 1
. 14 . 827 . 1 1 2 LEU HB2 H 5.551 8.764 7.338 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qtf 1
. 14 . 828 . 1 1 2 LEU HB3 H 5.529 7.663 8.716 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qtf 1
. 14 . 829 . 1 1 2 LEU HD11 H 7.296 9.662 8.419 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qtf 1
. 14 . 830 . 1 1 2 LEU HD12 H 8.287 9.497 6.970 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qtf 1
. 14 . 831 . 1 1 2 LEU HD13 H 8.886 8.904 8.520 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qtf 1
. 14 . 832 . 1 1 2 LEU HD21 H 7.952 7.156 9.629 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qtf 1
. 14 . 833 . 1 1 2 LEU HD22 H 8.809 6.258 8.376 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qtf 1
. 14 . 834 . 1 1 2 LEU HD23 H 7.134 5.860 8.756 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qtf 1
. 14 . 835 . 1 1 2 LEU HG H 7.665 7.333 6.642 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qtf 1
. 14 . 836 . 1 1 2 LEU N N 6.155 5.613 6.598 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qtf 1
. 14 . 837 . 1 1 2 LEU O O 5.230 8.414 5.129 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qtf 1
. 14 . 838 . 1 1 3 GLY C C 4.768 6.495 2.364 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qtf 1
. 14 . 839 . 1 1 3 GLY CA C 3.692 6.954 3.349 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qtf 1
. 14 . 840 . 1 1 3 GLY H H 3.819 5.639 4.991 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qtf 1
. 14 . 841 . 1 1 3 GLY HA2 H 2.748 6.489 3.094 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qtf 1
. 14 . 842 . 1 1 3 GLY HA3 H 3.584 8.034 3.307 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qtf 1
. 14 . 843 . 1 1 3 GLY N N 4.082 6.530 4.683 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qtf 1
. 14 . 844 . 1 1 3 GLY O O 4.511 6.361 1.168 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qtf 1
. 14 . 845 . 1 1 4 ALA C C 6.783 4.451 1.358 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_6qtf 1
. 14 . 846 . 1 1 4 ALA CA C 7.089 5.790 2.043 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_6qtf 1
. 14 . 847 . 1 1 4 ALA CB C 8.365 5.674 2.883 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_6qtf 1
. 14 . 848 . 1 1 4 ALA H H 6.144 6.371 3.854 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_6qtf 1
. 14 . 849 . 1 1 4 ALA HA H 7.254 6.527 1.280 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_6qtf 1
. 14 . 850 . 1 1 4 ALA HB2 H 8.848 4.729 2.694 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_6qtf 1
. 14 . 851 . 1 1 4 ALA HB3 H 9.036 6.471 2.609 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_6qtf 1
. 14 . 852 . 1 1 4 ALA N N 5.984 6.243 2.885 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_6qtf 1
. 14 . 853 . 1 1 4 ALA O O 7.208 4.229 0.223 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_6qtf 1
. 14 . 854 . 1 1 5 THR C C 4.898 2.450 0.174 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qtf 1
. 14 . 855 . 1 1 5 THR CA C 5.725 2.267 1.442 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qtf 1
. 14 . 856 . 1 1 5 THR CB C 4.941 1.419 2.445 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qtf 1
. 14 . 857 . 1 1 5 THR CG2 C 3.635 2.128 2.807 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qtf 1
. 14 . 858 . 1 1 5 THR H H 5.731 3.767 2.929 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qtf 1
. 14 . 859 . 1 1 5 THR HA H 6.640 1.753 1.192 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qtf 1
. 14 . 860 . 1 1 5 THR HB H 5.530 1.280 3.339 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qtf 1
. 14 . 861 . 1 1 5 THR HG1 H 4.843 0.206 0.929 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qtf 1
. 14 . 862 . 1 1 5 THR HG21 H 3.166 2.501 1.909 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qtf 1
. 14 . 863 . 1 1 5 THR HG22 H 3.845 2.953 3.472 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qtf 1
. 14 . 864 . 1 1 5 THR HG23 H 2.970 1.431 3.298 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qtf 1
. 14 . 865 . 1 1 5 THR N N 6.053 3.559 2.031 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qtf 1
. 14 . 866 . 1 1 5 THR O O 4.187 3.438 0.091 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qtf 1
. 14 . 867 . 1 1 5 THR OXT O 4.987 1.600 -0.696 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qtf 1
. 14 . 868 . 1 1 5 THR OG1 O 4.650 0.154 1.868 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qtf 1
. 15 . 869 . 1 1 1 . C C 5.812 4.577 5.861 . . . 1.0 . . . . . . . . . . . . A . 1 DCY C . . . . . . . . . rr_6qtf 1
. 15 . 870 . 1 1 1 . CA C 6.859 3.483 5.669 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CA . . . . . . . . . rr_6qtf 1
. 15 . 871 . 1 1 1 . CB C 8.175 4.072 5.145 . . . 1.0 . . . . . . . . . . . . A . 1 DCY CB . . . . . . . . . rr_6qtf 1
. 15 . 872 . 1 1 1 . H H 8.122 2.837 7.193 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H . . . . . . . . . rr_6qtf 1
. 15 . 873 . 1 1 1 . H2 H 6.803 1.806 6.904 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H2 . . . . . . . . . rr_6qtf 1
. 15 . 874 . 1 1 1 . H3 H 6.573 3.278 7.722 . . . 1.0 . . . . . . . . . . . . A . 1 DCY H3 . . . . . . . . . rr_6qtf 1
. 15 . 875 . 1 1 1 . HA H 6.485 2.767 4.951 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HA . . . . . . . . . rr_6qtf 1
. 15 . 876 . 1 1 1 . HB2 H 8.507 3.492 4.300 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB2 . . . . . . . . . rr_6qtf 1
. 15 . 877 . 1 1 1 . HB3 H 8.920 4.023 5.925 . . . 1.0 . . . . . . . . . . . . A . 1 DCY HB3 . . . . . . . . . rr_6qtf 1
. 15 . 878 . 1 1 1 . N N 7.108 2.800 6.969 . . . 1.0 . . . . . . . . . . . . A . 1 DCY N . . . . . . . . . rr_6qtf 1
. 15 . 879 . 1 1 1 . O O 4.703 4.475 5.343 . . . 1.0 . . . . . . . . . . . . A . 1 DCY O . . . . . . . . . rr_6qtf 1
. 15 . 880 . 1 1 1 . SG S 7.934 5.805 4.652 . . . 1.0 . . . . . . . . . . . . A . 1 DCY SG . . . . . . . . . rr_6qtf 1
. 15 . 881 . 1 1 2 LEU C C 4.858 7.312 5.457 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qtf 1
. 15 . 882 . 1 1 2 LEU CA C 5.249 6.740 6.817 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qtf 1
. 15 . 883 . 1 1 2 LEU CB C 5.926 7.822 7.674 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qtf 1
. 15 . 884 . 1 1 2 LEU CD1 C 4.318 9.681 7.135 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qtf 1
. 15 . 885 . 1 1 2 LEU CD2 C 3.749 8.044 8.937 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qtf 1
. 15 . 886 . 1 1 2 LEU CG C 4.891 8.805 8.253 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qtf 1
. 15 . 887 . 1 1 2 LEU H H 7.076 5.666 6.971 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qtf 1
. 15 . 888 . 1 1 2 LEU HA H 4.372 6.373 7.328 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qtf 1
. 15 . 889 . 1 1 2 LEU HB2 H 6.457 7.349 8.487 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qtf 1
. 15 . 890 . 1 1 2 LEU HB3 H 6.631 8.368 7.062 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qtf 1
. 15 . 891 . 1 1 2 LEU HD11 H 3.627 9.102 6.541 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qtf 1
. 15 . 892 . 1 1 2 LEU HD12 H 5.122 10.041 6.510 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qtf 1
. 15 . 893 . 1 1 2 LEU HD13 H 3.798 10.522 7.571 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qtf 1
. 15 . 894 . 1 1 2 LEU HD21 H 4.132 7.135 9.376 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qtf 1
. 15 . 895 . 1 1 2 LEU HD22 H 2.987 7.802 8.210 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qtf 1
. 15 . 896 . 1 1 2 LEU HD23 H 3.318 8.664 9.712 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qtf 1
. 15 . 897 . 1 1 2 LEU HG H 5.380 9.442 8.978 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qtf 1
. 15 . 898 . 1 1 2 LEU N N 6.174 5.630 6.594 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qtf 1
. 15 . 899 . 1 1 2 LEU O O 5.296 8.396 5.079 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qtf 1
. 15 . 900 . 1 1 3 GLY C C 4.752 6.507 2.380 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qtf 1
. 15 . 901 . 1 1 3 GLY CA C 3.677 6.956 3.368 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qtf 1
. 15 . 902 . 1 1 3 GLY H H 3.784 5.672 5.038 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qtf 1
. 15 . 903 . 1 1 3 GLY HA2 H 2.736 6.483 3.117 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qtf 1
. 15 . 904 . 1 1 3 GLY HA3 H 3.559 8.035 3.322 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qtf 1
. 15 . 905 . 1 1 3 GLY N N 4.073 6.546 4.705 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qtf 1
. 15 . 906 . 1 1 3 GLY O O 4.502 6.414 1.178 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qtf 1
. 15 . 907 . 1 1 4 ALA C C 6.770 4.455 1.350 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_6qtf 1
. 15 . 908 . 1 1 4 ALA CA C 7.064 5.790 2.053 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_6qtf 1
. 15 . 909 . 1 1 4 ALA CB C 8.349 5.684 2.887 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_6qtf 1
. 15 . 910 . 1 1 4 ALA H H 6.114 6.330 3.873 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_6qtf 1
. 15 . 911 . 1 1 4 ALA HA H 7.219 6.534 1.297 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_6qtf 1
. 15 . 912 . 1 1 4 ALA HB2 H 8.852 4.755 2.677 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_6qtf 1
. 15 . 913 . 1 1 4 ALA HB3 H 9.000 6.500 2.622 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_6qtf 1
. 15 . 914 . 1 1 4 ALA N N 5.959 6.227 2.902 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_6qtf 1
. 15 . 915 . 1 1 4 ALA O O 7.168 4.268 0.199 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_6qtf 1
. 15 . 916 . 1 1 5 THR C C 4.850 2.438 0.202 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qtf 1
. 15 . 917 . 1 1 5 THR CA C 5.767 2.245 1.406 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qtf 1
. 15 . 918 . 1 1 5 THR CB C 5.090 1.323 2.424 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qtf 1
. 15 . 919 . 1 1 5 THR CG2 C 3.748 1.923 2.845 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qtf 1
. 15 . 920 . 1 1 5 THR H H 5.774 3.709 2.932 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qtf 1
. 15 . 921 . 1 1 5 THR HA H 6.685 1.784 1.075 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qtf 1
. 15 . 922 . 1 1 5 THR HB H 5.722 1.218 3.292 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qtf 1
. 15 . 923 . 1 1 5 THR HG1 H 5.140 0.100 0.912 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qtf 1
. 15 . 924 . 1 1 5 THR HG21 H 2.945 1.322 2.445 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qtf 1
. 15 . 925 . 1 1 5 THR HG22 H 3.669 2.930 2.463 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qtf 1
. 15 . 926 . 1 1 5 THR HG23 H 3.684 1.939 3.922 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qtf 1
. 15 . 927 . 1 1 5 THR N N 6.079 3.531 2.022 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qtf 1
. 15 . 928 . 1 1 5 THR O O 4.816 3.541 -0.319 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qtf 1
. 15 . 929 . 1 1 5 THR OXT O 4.195 1.483 -0.180 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qtf 1
. 15 . 930 . 1 1 5 THR OG1 O 4.876 0.049 1.834 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qtf 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_6qtf
_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 6qtf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6qtf 1
1 6qtf.mr . . XPLOR/CNS 2 distance NOE simple 18 rr_6qtf 1
1 6qtf.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 5 rr_6qtf 1
1 6qtf.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6qtf 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_6qtf
_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: '6qtf'" . . . . distance "general distance" . 13 rr_6qtf 1
2 "From CCPN project: '6qtf'" . . . . "dihedral angle" "Not applicable" . 4 rr_6qtf 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 6qtf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6qtf 1
1 6qtf.mr . . XPLOR/CNS 2 distance NOE simple 18 rr_6qtf 1
1 6qtf.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 5 rr_6qtf 1
1 6qtf.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6qtf 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_6qtf
_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_6qtf 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 2 2 LEU HA H . . . 1 1 3 3 GLY H H . . . . . 3.3 2.6 4.0 . . . . . A . 2 LEU HA . . A . 3 GLY H . . . 2 . HA . . . . . 3 . HN . . rr_6qtf 1
2 1 . . 1 1 3 3 GLY H H . . . 1 1 4 4 ALA H H . . . . . 3.2 2.6 3.8 . . . . . A . 3 GLY H . . A . 4 ALA H . . . 3 . HN . . . . . 4 . HN . . rr_6qtf 1
3 1 . . 1 1 4 4 ALA H H . . . 1 1 5 5 THR H H . . . . . 3.6 2.9 4.3 . . . . . A . 4 ALA H . . A . 5 THR H . . . 4 . HN . . . . . 5 . HN . . rr_6qtf 1
4 1 . . 1 1 5 5 THR H H . . . 1 1 4 4 ALA MB H . . . . . 3.5 2.8 4.2 . . . . . A . 5 THR H . . A . 4 ALA MB . . . 5 . HN . . . . . 4 . HB1 . . rr_6qtf 1
5 1 . . 1 1 5 5 THR H H . . . 1 1 4 4 ALA MB H . . . . . 4.2 3.4 5.0 . . . . . A . 5 THR H . . A . 4 ALA MB . . . 5 . HN . . . . . 4 . HB2 . . rr_6qtf 1
6 1 . . 1 1 5 5 THR H H . . . 1 1 4 4 ALA HA H . . . . . 2.9 2.3 3.5 . . . . . A . 5 THR H . . A . 4 ALA HA . . . 5 . HN . . . . . 4 . HA . . rr_6qtf 1
7 1 . . 1 1 2 2 LEU HA H . . . 1 1 3 3 GLY HA3 H . . . . . 4.4 3.5 5.3 . . . . . A . 2 LEU HA . . A . 3 GLY HA3 . . . 2 . HA . . . . . 3 . HA1 . . rr_6qtf 1
8 1 . . 1 1 4 4 ALA H H . . . 1 1 3 3 GLY HA2 H . . . . . 4.1 3.3 4.9 . . . . . A . 4 ALA H . . A . 3 GLY HA2 . . . 4 . HN . . . . . 3 . HA2 . . rr_6qtf 1
9 1 . . 1 1 4 4 ALA H H . . . 1 1 3 3 GLY HA3 H . . . . . 4.3 3.4 5.2 . . . . . A . 4 ALA H . . A . 3 GLY HA3 . . . 4 . HN . . . . . 3 . HA1 . . rr_6qtf 1
10 1 . . 1 1 4 4 ALA H H . . . 1 1 5 5 THR H H . . . . . 3.7 3.0 4.4 . . . . . A . 4 ALA H . . A . 5 THR H . . . 4 . HN . . . . . 5 . HN . . rr_6qtf 1
11 1 OR . 1 1 3 3 GLY H H . . . 1 1 2 2 LEU HB2 H . . . . . 4.3 3.4 5.2 . . . . . A . 3 GLY H . . A . 2 LEU HB2 . . . 3 . HN . . . . . 2 . HB# . . rr_6qtf 1
11 2 OR . 1 1 3 3 GLY H H . . . 1 1 2 2 LEU HB3 H . . . . . 4.3 3.4 5.2 . . . . . A . 3 GLY H . . A . 2 LEU HB3 . . . 3 . HN . . . . . 2 . HB# . . rr_6qtf 1
12 1 . . 1 1 2 2 LEU HA H . . . 1 1 4 4 ALA H H . . . . . 4.3 3.4 5.2 . . . . . A . 2 LEU HA . . A . 4 ALA H . . . 2 . HA . . . . . 4 . HN . . rr_6qtf 1
13 1 . . 1 1 5 5 THR H H . . . 1 1 2 2 LEU H H . . . . . 3.8 3.0 4.6 . . . . . A . 5 THR H . . A . 2 LEU H . . . 5 . HN . . . . . 2 . HN . . rr_6qtf 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: noe_nointra.tbl" 1 1 1 36 rr_6qtf 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
;echo=false
wrnlev=0
;
2 1 4 16 rr_6qtf 1
2
;Interresidue
i-i+1
;
5 1 6 7 rr_6qtf 1
3 i-i+2 18 1 18 7 rr_6qtf 1
4 i-i+3/4 21 1 21 9 rr_6qtf 1
5 "across Lan" 24 1 24 12 rr_6qtf 1
6
;echo=true
wrnlev=5
;
28 1 30 16 rr_6qtf 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 12 1 "Not handling restraint 12, item 1, resonance(s) ' .1.HT#' (nmrStar names) not linked" rr_6qtf 1
2 2 15 1 "Not handling restraint 15, item 1, resonance(s) ' .1.HA' (nmrStar names) not linked" rr_6qtf 1
3 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .1.HB2' (nmrStar names) not linked" rr_6qtf 1
4 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .1.HB2' (nmrStar names) not linked" rr_6qtf 1
5 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .1.HA' (nmrStar names) not linked" rr_6qtf 1
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_6qtf
_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_6qtf 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_6qtf 1
2 1 . . . rr_6qtf 1
3 1 . . . rr_6qtf 1
4 1 . . . rr_6qtf 1
5 1 . . . rr_6qtf 1
6 1 . . . rr_6qtf 1
7 1 . . . rr_6qtf 1
8 1 . . . rr_6qtf 1
9 1 . . . rr_6qtf 1
10 1 . . . rr_6qtf 1
11 1 2 . OR rr_6qtf 1
11 2 . 3 . rr_6qtf 1
11 3 . . . rr_6qtf 1
12 1 . . . rr_6qtf 1
13 1 . . . rr_6qtf 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 2 2 LEU HA H . . . . 2 . HA rr_6qtf 1
1 1 . 2 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qtf 1
2 1 . 1 . 1 1 4 4 ALA H H . . . . 4 . HN rr_6qtf 1
2 1 . 2 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qtf 1
3 1 . 1 . 1 1 5 5 THR H H . . . . 5 . HN rr_6qtf 1
3 1 . 2 . 1 1 4 4 ALA H H . . . . 4 . HN rr_6qtf 1
4 1 . 1 . 1 1 4 4 ALA MB H . . . . 4 . HB1 rr_6qtf 1
4 1 . 2 . 1 1 5 5 THR H H . . . . 5 . HN rr_6qtf 1
5 1 . 1 . 1 1 5 5 THR H H . . . . 5 . HN rr_6qtf 1
5 1 . 2 . 1 1 4 4 ALA MB H . . . . 4 . HB2 rr_6qtf 1
6 1 . 1 . 1 1 4 4 ALA HA H . . . . 4 . HA rr_6qtf 1
6 1 . 2 . 1 1 5 5 THR H H . . . . 5 . HN rr_6qtf 1
7 1 . 1 . 1 1 2 2 LEU HA H . . . . 2 . HA rr_6qtf 1
7 1 . 2 . 1 1 3 3 GLY HA3 H . . . . 3 . HA1 rr_6qtf 1
8 1 . 1 . 1 1 3 3 GLY HA2 H . . . . 3 . HA2 rr_6qtf 1
8 1 . 2 . 1 1 4 4 ALA H H . . . . 4 . HN rr_6qtf 1
9 1 . 1 . 1 1 4 4 ALA H H . . . . 4 . HN rr_6qtf 1
9 1 . 2 . 1 1 3 3 GLY HA3 H . . . . 3 . HA1 rr_6qtf 1
10 1 . 1 . 1 1 5 5 THR H H . . . . 5 . HN rr_6qtf 1
10 1 . 2 . 1 1 4 4 ALA H H . . . . 4 . HN rr_6qtf 1
11 2 . 1 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qtf 1
11 2 . 2 . 1 1 2 2 LEU HB2 H . . . . 2 . HB# rr_6qtf 1
11 3 . 1 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qtf 1
11 3 . 2 . 1 1 2 2 LEU HB3 H . . . . 2 . HB# rr_6qtf 1
12 1 . 1 . 1 1 2 2 LEU HA H . . . . 2 . HA rr_6qtf 1
12 1 . 2 . 1 1 4 4 ALA H H . . . . 4 . HN rr_6qtf 1
13 1 . 1 . 1 1 5 5 THR H H . . . . 5 . HN rr_6qtf 1
13 1 . 2 . 1 1 2 2 LEU H H . . . . 2 . HN rr_6qtf 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 . . . . . . 3.3 2.6 4.0 rr_6qtf 1
2 1 . . . . . . 3.2 2.6 3.8 rr_6qtf 1
3 1 . . . . . . 3.6 2.9 4.3 rr_6qtf 1
4 1 . . . . . . 3.5 2.8 4.2 rr_6qtf 1
5 1 . . . . . . 4.2 3.4 5.0 rr_6qtf 1
6 1 . . . . . . 2.9 2.3 3.5 rr_6qtf 1
7 1 . . . . . . 4.4 3.5 5.3 rr_6qtf 1
8 1 . . . . . . 4.1 3.3 4.9 rr_6qtf 1
9 1 . . . . . . 4.3 3.4 5.2 rr_6qtf 1
10 1 . . . . . . 3.7 3.0 4.4 rr_6qtf 1
11 2 . . . . . . 4.3 3.4 5.2 rr_6qtf 1
11 3 . . . . . . 4.3 3.4 5.2 rr_6qtf 1
12 1 . . . . . . 4.3 3.4 5.2 rr_6qtf 1
13 1 . . . . . . 3.8 3.0 4.6 rr_6qtf 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: noe_nointra.tbl" 1 1 1 36 rr_6qtf 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
;echo=false
wrnlev=0
;
2 1 4 16 rr_6qtf 1
2
;Interresidue
i-i+1
;
5 1 6 7 rr_6qtf 1
3 i-i+2 18 1 18 7 rr_6qtf 1
4 i-i+3/4 21 1 21 9 rr_6qtf 1
5 "across Lan" 24 1 24 12 rr_6qtf 1
6
;echo=true
wrnlev=5
;
28 1 30 16 rr_6qtf 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 12 1 "Not handling restraint 12, item 1, resonance(s) ' .1.HT#' (nmrStar names) not linked" rr_6qtf 1
2 2 15 1 "Not handling restraint 15, item 1, resonance(s) ' .1.HA' (nmrStar names) not linked" rr_6qtf 1
3 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .1.HB2' (nmrStar names) not linked" rr_6qtf 1
4 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .1.HB2' (nmrStar names) not linked" rr_6qtf 1
5 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .1.HA' (nmrStar names) not linked" rr_6qtf 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Entry_ID rr_6qtf
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_6qtf 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 2 2 LEU C C . . 1 1 3 3 GLY N N . . 1 1 3 3 GLY CA C . . 1 1 3 3 GLY C C . 38.2 118.2 . . . A . 2 LEU C . . A . 3 GLY N . . A . 3 GLY CA . . A . 3 GLY C . . . 2 . C . . . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . rr_6qtf 1
2 . . 1 1 3 3 GLY C C . . 1 1 4 4 ALA N N . . 1 1 4 4 ALA CA C . . 1 1 4 4 ALA C C . -122.2 -42.2 . . . A . 3 GLY C . . A . 4 ALA N . . A . 4 ALA CA . . A . 4 ALA C . . . 3 . C . . . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . rr_6qtf 1
3 . . 1 1 4 4 ALA C C . . 1 1 5 5 THR N N . . 1 1 5 5 THR CA C . . 1 1 5 5 THR C C . -141.6 -61.6 . . . A . 4 ALA C . . A . 5 THR N . . A . 5 THR CA . . A . 5 THR C . . . 4 . C . . . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . rr_6qtf 1
4 . . 1 1 3 3 GLY N N . . 1 1 3 3 GLY CA C . . 1 1 3 3 GLY C C . . 1 1 4 4 ALA N N . -26.0 49.8 . . . A . 3 GLY N . . A . 3 GLY CA . . A . 3 GLY C . . A . 4 ALA N . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . . . . 4 . N . . rr_6qtf 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 2: dihe_final.tbl" 1 1 1 35 rr_6qtf 1
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loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;phi
from 3J coupling
;
3 1 4 18 rr_6qtf 1
2
;psi
predicted by talos
;
13 1 14 20 rr_6qtf 1
stop_
loop_
_TA_constraint_conv_err.ID
_TA_constraint_conv_err.Parse_file_ID
_TA_constraint_conv_err.Parse_file_constraint_ID
_TA_constraint_conv_err.Conv_error_type
_TA_constraint_conv_err.Conv_error_note
_TA_constraint_conv_err.Entry_ID
_TA_constraint_conv_err.Torsion_angle_constraint_list_ID
1 3 3 1 "Not handling restraint 3, resonance(s) ' .1.C' (nmrStar names) not linked" rr_6qtf 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_6qtf
_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 ANTIBIOTIC 25-FEB-19 6QTF *TITLE SOLUTION NMR OF SYNTHETIC ANALOGUES OF NISIN AND MUTACIN RING A AND *TITLE 2 RING B - MUTACIN I RING B, MAJOR CONFORMER *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DCY-LEU-GLY-ALA-THR; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; *SOURCE 4 ORGANISM_TAXID: 1358 *KEYWDS PEPTIDE ANTIBIOTIC, LANTIBIOTIC, ANTIMICROBIAL, BACTERIOCIN, *KEYWDS 2 THIOESTER, ANTIBIOTIC *EXPDTA SOLUTION NMR *NUMMDL 15 *AUTHOR R.DICKMAN,S.A.MITCHELL,A.FIGUEIREDO,D.F.HANSEN,A.B.TABOR *REVDAT 1 11-SEP-19 6QTF 0"
save_
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