NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
584379 |
2mix   |
19697 | cing | 3-converted-DOCR | STAR | entry | full | 275 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_2mix
# This DOCR archive file contains, for PDB entry <2mix>:
#
# - 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_2mix
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2mix"
_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 2mix"
_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 2mix "Master copy" rr_2mix
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2mix
_Assembly.ID 1
_Assembly.Name 2mix
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 2311.6123
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 "venom peptide toxin" 1 $venom_peptide_toxin A . no . . . . . . rr_2mix 1
stop_
save_
save_venom_peptide_toxin
_Entity.Sf_category entity
_Entity.Sf_framecode venom_peptide_toxin
_Entity.Entry_ID rr_2mix
_Entity.ID 1
_Entity.Name venom_peptide_toxin
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code
;TRICCGCYWNGSKDVCSQSC
C
;
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 21
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 2311.6123
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 . THR . rr_2mix 1
2 . ARG . rr_2mix 1
3 . ILE . rr_2mix 1
4 . CYS . rr_2mix 1
5 . CYS . rr_2mix 1
6 . GLY . rr_2mix 1
7 . CYS . rr_2mix 1
8 . TYR . rr_2mix 1
9 . TRP . rr_2mix 1
10 . ASN . rr_2mix 1
11 . GLY . rr_2mix 1
12 . SER . rr_2mix 1
13 . LYS . rr_2mix 1
14 . ASP . rr_2mix 1
15 . VAL . rr_2mix 1
16 . CYS . rr_2mix 1
17 . SER . rr_2mix 1
18 . GLN . rr_2mix 1
19 . SER . rr_2mix 1
20 . CYS . rr_2mix 1
21 . CYS . rr_2mix 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
. THR 1 1 rr_2mix 1
. ARG 2 2 rr_2mix 1
. ILE 3 3 rr_2mix 1
. CYS 4 4 rr_2mix 1
. CYS 5 5 rr_2mix 1
. GLY 6 6 rr_2mix 1
. CYS 7 7 rr_2mix 1
. TYR 8 8 rr_2mix 1
. TRP 9 9 rr_2mix 1
. ASN 10 10 rr_2mix 1
. GLY 11 11 rr_2mix 1
. SER 12 12 rr_2mix 1
. LYS 13 13 rr_2mix 1
. ASP 14 14 rr_2mix 1
. VAL 15 15 rr_2mix 1
. CYS 16 16 rr_2mix 1
. SER 17 17 rr_2mix 1
. GLN 18 18 rr_2mix 1
. SER 19 19 rr_2mix 1
. CYS 20 20 rr_2mix 1
. CYS 21 21 rr_2mix 1
stop_
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_2mix
_Conformer_stat_list.ID 1
_Conformer_stat_list.Conf_family_coord_set_ID 1
_Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures
_Conformer_stat_list.Conformer_submitted_total_num 10
save_
save_ensemble_of_conformers
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Sf_framecode ensemble_of_conformers
_Conformer_family_coord_set.Entry_ID rr_2mix
_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_2mix 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_2mix 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 THR C C -0.876 -4.852 -0.830 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . rr_2mix 1
. 1 . 2 . 1 1 1 THR CA C 0.215 -5.900 -0.604 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . rr_2mix 1
. 1 . 3 . 1 1 1 THR CB C -0.196 -7.228 -1.258 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . rr_2mix 1
. 1 . 4 . 1 1 1 THR CG2 C 1.026 -8.062 -1.613 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . rr_2mix 1
. 1 . 5 . 1 1 1 THR H1 H 0.825 -5.202 1.258 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . rr_2mix 1
. 1 . 6 . 1 1 1 THR H2 H 1.250 -6.805 0.956 . . . 1.0 . . . . . . . . . . . . A . 1 THR H2 . . . . . . . . . rr_2mix 1
. 1 . 7 . 1 1 1 THR H3 H -0.349 -6.414 1.329 . . . 1.0 . . . . . . . . . . . . A . 1 THR H3 . . . . . . . . . rr_2mix 1
. 1 . 8 . 1 1 1 THR HA H 1.120 -5.568 -1.077 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . rr_2mix 1
. 1 . 9 . 1 1 1 THR HB H -0.747 -7.014 -2.162 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . rr_2mix 1
. 1 . 10 . 1 1 1 THR HG1 H -0.472 -8.513 0.197 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . rr_2mix 1
. 1 . 11 . 1 1 1 THR HG21 H 0.709 -8.984 -2.079 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . rr_2mix 1
. 1 . 12 . 1 1 1 THR HG22 H 1.582 -8.285 -0.714 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . rr_2mix 1
. 1 . 13 . 1 1 1 THR HG23 H 1.653 -7.511 -2.296 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . rr_2mix 1
. 1 . 14 . 1 1 1 THR N N 0.503 -6.092 0.834 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . rr_2mix 1
. 1 . 15 . 1 1 1 THR O O -0.659 -3.869 -1.528 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . rr_2mix 1
. 1 . 16 . 1 1 1 THR OG1 O -1.030 -7.961 -0.361 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . rr_2mix 1
. 1 . 17 . 1 1 2 ARG C C -3.619 -3.581 0.943 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2mix 1
. 1 . 18 . 1 1 2 ARG CA C -3.193 -4.203 -0.395 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2mix 1
. 1 . 19 . 1 1 2 ARG CB C -4.357 -4.978 -1.008 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2mix 1
. 1 . 20 . 1 1 2 ARG CD C -4.623 -3.685 -3.084 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2mix 1
. 1 . 21 . 1 1 2 ARG CG C -5.286 -4.102 -1.805 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2mix 1
. 1 . 22 . 1 1 2 ARG CZ C -3.664 -4.834 -5.051 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2mix 1
. 1 . 23 . 1 1 2 ARG H H -2.167 -5.888 0.275 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2mix 1
. 1 . 24 . 1 1 2 ARG HA H -2.910 -3.408 -1.065 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2mix 1
. 1 . 25 . 1 1 2 ARG HB2 H -3.968 -5.745 -1.658 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2mix 1
. 1 . 26 . 1 1 2 ARG HB3 H -4.921 -5.432 -0.224 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2mix 1
. 1 . 27 . 1 1 2 ARG HD2 H -5.171 -2.864 -3.521 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2mix 1
. 1 . 28 . 1 1 2 ARG HD3 H -3.631 -3.369 -2.827 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2mix 1
. 1 . 29 . 1 1 2 ARG HE H -5.174 -5.527 -3.937 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2mix 1
. 1 . 30 . 1 1 2 ARG HG2 H -6.192 -4.629 -2.018 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2mix 1
. 1 . 31 . 1 1 2 ARG HG3 H -5.504 -3.222 -1.229 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2mix 1
. 1 . 32 . 1 1 2 ARG HH11 H -2.766 -3.072 -4.594 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2mix 1
. 1 . 33 . 1 1 2 ARG HH12 H -2.117 -3.903 -5.972 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2mix 1
. 1 . 34 . 1 1 2 ARG HH21 H -4.350 -6.601 -5.763 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2mix 1
. 1 . 35 . 1 1 2 ARG HH22 H -3.024 -5.910 -6.644 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2mix 1
. 1 . 36 . 1 1 2 ARG N N -2.045 -5.076 -0.243 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2mix 1
. 1 . 37 . 1 1 2 ARG NE N -4.538 -4.783 -4.047 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2mix 1
. 1 . 38 . 1 1 2 ARG NH1 N -2.780 -3.857 -5.222 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2mix 1
. 1 . 39 . 1 1 2 ARG NH2 N -3.680 -5.863 -5.887 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2mix 1
. 1 . 40 . 1 1 2 ARG O O -4.809 -3.474 1.210 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2mix 1
. 1 . 41 . 1 1 3 ILE C C -3.881 -1.568 3.180 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_2mix 1
. 1 . 42 . 1 1 3 ILE CA C -3.000 -2.828 3.189 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_2mix 1
. 1 . 43 . 1 1 3 ILE CB C -1.721 -2.523 4.004 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_2mix 1
. 1 . 44 . 1 1 3 ILE CD1 C 0.638 -3.370 4.464 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_2mix 1
. 1 . 45 . 1 1 3 ILE CG1 C -0.739 -3.683 3.916 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_2mix 1
. 1 . 46 . 1 1 3 ILE CG2 C -2.063 -2.251 5.455 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_2mix 1
. 1 . 47 . 1 1 3 ILE H H -1.736 -3.395 1.576 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_2mix 1
. 1 . 48 . 1 1 3 ILE HA H -3.531 -3.609 3.681 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_2mix 1
. 1 . 49 . 1 1 3 ILE HB H -1.260 -1.638 3.594 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_2mix 1
. 1 . 50 . 1 1 3 ILE HD11 H 1.232 -4.273 4.480 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_2mix 1
. 1 . 51 . 1 1 3 ILE HD12 H 0.549 -2.979 5.465 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_2mix 1
. 1 . 52 . 1 1 3 ILE HD13 H 1.121 -2.637 3.830 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_2mix 1
. 1 . 53 . 1 1 3 ILE HG12 H -1.131 -4.524 4.466 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_2mix 1
. 1 . 54 . 1 1 3 ILE HG13 H -0.632 -3.953 2.888 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_2mix 1
. 1 . 55 . 1 1 3 ILE HG21 H -2.737 -1.410 5.516 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_2mix 1
. 1 . 56 . 1 1 3 ILE HG22 H -1.158 -2.031 5.998 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_2mix 1
. 1 . 57 . 1 1 3 ILE HG23 H -2.534 -3.123 5.879 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_2mix 1
. 1 . 58 . 1 1 3 ILE N N -2.666 -3.300 1.834 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_2mix 1
. 1 . 59 . 1 1 3 ILE O O -3.392 -0.442 3.209 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_2mix 1
. 1 . 60 . 1 1 4 CYS C C -5.939 0.454 2.437 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2mix 1
. 1 . 61 . 1 1 4 CYS CA C -6.229 -0.770 3.322 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2mix 1
. 1 . 62 . 1 1 4 CYS CB C -6.435 -0.298 4.764 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2mix 1
. 1 . 63 . 1 1 4 CYS H H -5.459 -2.750 3.227 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2mix 1
. 1 . 64 . 1 1 4 CYS HA H -7.148 -1.222 2.981 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2mix 1
. 1 . 65 . 1 1 4 CYS HB2 H -5.936 -0.975 5.439 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2mix 1
. 1 . 66 . 1 1 4 CYS HB3 H -6.007 0.693 4.865 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2mix 1
. 1 . 67 . 1 1 4 CYS N N -5.183 -1.810 3.254 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2mix 1
. 1 . 68 . 1 1 4 CYS O O -5.154 0.416 1.492 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2mix 1
. 1 . 69 . 1 1 4 CYS SG S -8.188 -0.184 5.277 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2mix 1
. 1 . 70 . 1 1 5 CYS C C -5.422 3.663 2.888 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_2mix 1
. 1 . 71 . 1 1 5 CYS CA C -6.377 2.801 2.077 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_2mix 1
. 1 . 72 . 1 1 5 CYS CB C -7.697 3.531 1.895 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_2mix 1
. 1 . 73 . 1 1 5 CYS H H -7.323 1.482 3.423 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_2mix 1
. 1 . 74 . 1 1 5 CYS HA H -5.947 2.600 1.113 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_2mix 1
. 1 . 75 . 1 1 5 CYS HB2 H -8.166 3.611 2.859 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_2mix 1
. 1 . 76 . 1 1 5 CYS HB3 H -7.510 4.517 1.502 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_2mix 1
. 1 . 77 . 1 1 5 CYS N N -6.607 1.542 2.752 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_2mix 1
. 1 . 78 . 1 1 5 CYS O O -5.321 3.520 4.110 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_2mix 1
. 1 . 79 . 1 1 5 CYS SG S -8.866 2.689 0.780 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_2mix 1
. 1 . 80 . 1 1 6 GLY C C -2.346 4.997 2.180 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . rr_2mix 1
. 1 . 81 . 1 1 6 GLY CA C -3.671 5.312 2.821 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . rr_2mix 1
. 1 . 82 . 1 1 6 GLY H H -4.877 4.634 1.235 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . rr_2mix 1
. 1 . 83 . 1 1 6 GLY HA2 H -3.889 6.363 2.703 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . rr_2mix 1
. 1 . 84 . 1 1 6 GLY HA3 H -3.623 5.070 3.872 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . rr_2mix 1
. 1 . 85 . 1 1 6 GLY N N -4.710 4.532 2.198 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . rr_2mix 1
. 1 . 86 . 1 1 6 GLY O O -2.282 4.816 0.965 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . rr_2mix 1
. 1 . 87 . 1 1 7 CYS C C 0.666 3.521 3.383 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_2mix 1
. 1 . 88 . 1 1 7 CYS CA C -0.009 4.502 2.440 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_2mix 1
. 1 . 89 . 1 1 7 CYS CB C 0.889 5.711 2.201 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_2mix 1
. 1 . 90 . 1 1 7 CYS H H -1.383 5.107 3.929 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_2mix 1
. 1 . 91 . 1 1 7 CYS HA H -0.186 4.006 1.500 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_2mix 1
. 1 . 92 . 1 1 7 CYS HB2 H 0.289 6.541 1.859 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_2mix 1
. 1 . 93 . 1 1 7 CYS HB3 H 1.367 5.973 3.129 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_2mix 1
. 1 . 94 . 1 1 7 CYS N N -1.295 4.903 2.972 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_2mix 1
. 1 . 95 . 1 1 7 CYS O O 0.715 3.735 4.594 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_2mix 1
. 1 . 96 . 1 1 7 CYS SG S 2.199 5.418 0.969 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_2mix 1
. 1 . 97 . 1 1 8 TYR C C 3.148 1.030 2.979 . . . 1.0 . . . . . . . . . . . . A . 8 TYR C . . . . . . . . . rr_2mix 1
. 1 . 98 . 1 1 8 TYR CA C 1.802 1.382 3.575 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CA . . . . . . . . . rr_2mix 1
. 1 . 99 . 1 1 8 TYR CB C 0.912 0.142 3.597 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CB . . . . . . . . . rr_2mix 1
. 1 . 100 . 1 1 8 TYR CD1 C 1.183 -0.841 1.273 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD1 . . . . . . . . . rr_2mix 1
. 1 . 101 . 1 1 8 TYR CD2 C -0.967 -0.087 1.947 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD2 . . . . . . . . . rr_2mix 1
. 1 . 102 . 1 1 8 TYR CE1 C 0.668 -1.214 0.048 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE1 . . . . . . . . . rr_2mix 1
. 1 . 103 . 1 1 8 TYR CE2 C -1.488 -0.456 0.729 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE2 . . . . . . . . . rr_2mix 1
. 1 . 104 . 1 1 8 TYR CG C 0.370 -0.268 2.243 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CG . . . . . . . . . rr_2mix 1
. 1 . 105 . 1 1 8 TYR CZ C -0.669 -1.017 -0.219 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CZ . . . . . . . . . rr_2mix 1
. 1 . 106 . 1 1 8 TYR H H 1.130 2.358 1.842 . . . 1.0 . . . . . . . . . . . . A . 8 TYR H . . . . . . . . . rr_2mix 1
. 1 . 107 . 1 1 8 TYR HA H 1.946 1.731 4.587 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HA . . . . . . . . . rr_2mix 1
. 1 . 108 . 1 1 8 TYR HB2 H 1.484 -0.681 3.977 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB2 . . . . . . . . . rr_2mix 1
. 1 . 109 . 1 1 8 TYR HB3 H 0.072 0.321 4.249 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB3 . . . . . . . . . rr_2mix 1
. 1 . 110 . 1 1 8 TYR HD1 H 2.229 -0.995 1.488 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD1 . . . . . . . . . rr_2mix 1
. 1 . 111 . 1 1 8 TYR HD2 H -1.613 0.351 2.692 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD2 . . . . . . . . . rr_2mix 1
. 1 . 112 . 1 1 8 TYR HE1 H 1.313 -1.658 -0.695 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE1 . . . . . . . . . rr_2mix 1
. 1 . 113 . 1 1 8 TYR HE2 H -2.541 -0.317 0.533 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE2 . . . . . . . . . rr_2mix 1
. 1 . 114 . 1 1 8 TYR HH H -0.886 -2.274 -1.657 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HH . . . . . . . . . rr_2mix 1
. 1 . 115 . 1 1 8 TYR N N 1.173 2.443 2.815 . . . 1.0 . . . . . . . . . . . . A . 8 TYR N . . . . . . . . . rr_2mix 1
. 1 . 116 . 1 1 8 TYR O O 3.419 1.335 1.820 . . . 1.0 . . . . . . . . . . . . A . 8 TYR O . . . . . . . . . rr_2mix 1
. 1 . 117 . 1 1 8 TYR OH O -1.187 -1.380 -1.438 . . . 1.0 . . . . . . . . . . . . A . 8 TYR OH . . . . . . . . . rr_2mix 1
. 1 . 118 . 1 1 9 TRP C C 5.226 -1.445 2.767 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_2mix 1
. 1 . 119 . 1 1 9 TRP CA C 5.291 -0.016 3.278 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_2mix 1
. 1 . 120 . 1 1 9 TRP CB C 6.360 0.098 4.367 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_2mix 1
. 1 . 121 . 1 1 9 TRP CD1 C 8.281 -1.513 3.860 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_2mix 1
. 1 . 122 . 1 1 9 TRP CD2 C 8.686 0.608 3.279 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_2mix 1
. 1 . 123 . 1 1 9 TRP CE2 C 9.805 -0.172 2.936 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_2mix 1
. 1 . 124 . 1 1 9 TRP CE3 C 8.714 1.978 3.009 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_2mix 1
. 1 . 125 . 1 1 9 TRP CG C 7.722 -0.270 3.865 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_2mix 1
. 1 . 126 . 1 1 9 TRP CH2 C 10.930 1.718 2.085 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_2mix 1
. 1 . 127 . 1 1 9 TRP CZ2 C 10.935 0.374 2.335 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_2mix 1
. 1 . 128 . 1 1 9 TRP CZ3 C 9.835 2.517 2.415 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_2mix 1
. 1 . 129 . 1 1 9 TRP H H 3.712 0.149 4.674 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_2mix 1
. 1 . 130 . 1 1 9 TRP HA H 5.554 0.636 2.457 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_2mix 1
. 1 . 131 . 1 1 9 TRP HB2 H 6.397 1.114 4.729 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_2mix 1
. 1 . 132 . 1 1 9 TRP HB3 H 6.111 -0.565 5.183 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_2mix 1
. 1 . 133 . 1 1 9 TRP HD1 H 7.793 -2.396 4.240 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_2mix 1
. 1 . 134 . 1 1 9 TRP HE1 H 10.128 -2.238 3.164 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_2mix 1
. 1 . 135 . 1 1 9 TRP HE3 H 7.880 2.612 3.255 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_2mix 1
. 1 . 136 . 1 1 9 TRP HH2 H 11.781 2.184 1.623 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_2mix 1
. 1 . 137 . 1 1 9 TRP HZ2 H 11.791 -0.229 2.072 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_2mix 1
. 1 . 138 . 1 1 9 TRP HZ3 H 9.873 3.575 2.199 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_2mix 1
. 1 . 139 . 1 1 9 TRP N N 3.988 0.388 3.764 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_2mix 1
. 1 . 140 . 1 1 9 TRP NE1 N 9.529 -1.467 3.294 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_2mix 1
. 1 . 141 . 1 1 9 TRP O O 5.250 -2.394 3.551 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_2mix 1
. 1 . 142 . 1 1 10 ASN C C 6.493 -3.255 0.316 . . . 1.0 . . . . . . . . . . . . A . 10 ASN C . . . . . . . . . rr_2mix 1
. 1 . 143 . 1 1 10 ASN CA C 5.112 -2.923 0.866 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CA . . . . . . . . . rr_2mix 1
. 1 . 144 . 1 1 10 ASN CB C 4.065 -3.015 -0.248 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CB . . . . . . . . . rr_2mix 1
. 1 . 145 . 1 1 10 ASN CG C 3.845 -4.439 -0.729 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CG . . . . . . . . . rr_2mix 1
. 1 . 146 . 1 1 10 ASN H H 5.019 -0.810 0.889 . . . 1.0 . . . . . . . . . . . . A . 10 ASN H . . . . . . . . . rr_2mix 1
. 1 . 147 . 1 1 10 ASN HA H 4.865 -3.634 1.640 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HA . . . . . . . . . rr_2mix 1
. 1 . 148 . 1 1 10 ASN HB2 H 3.125 -2.632 0.118 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB2 . . . . . . . . . rr_2mix 1
. 1 . 149 . 1 1 10 ASN HB3 H 4.390 -2.417 -1.087 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB3 . . . . . . . . . rr_2mix 1
. 1 . 150 . 1 1 10 ASN HD21 H 5.205 -4.215 -2.159 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD21 . . . . . . . . . rr_2mix 1
. 1 . 151 . 1 1 10 ASN HD22 H 4.437 -5.761 -2.084 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD22 . . . . . . . . . rr_2mix 1
. 1 . 152 . 1 1 10 ASN N N 5.112 -1.599 1.461 . . . 1.0 . . . . . . . . . . . . A . 10 ASN N . . . . . . . . . rr_2mix 1
. 1 . 153 . 1 1 10 ASN ND2 N 4.568 -4.845 -1.760 . . . 1.0 . . . . . . . . . . . . A . 10 ASN ND2 . . . . . . . . . rr_2mix 1
. 1 . 154 . 1 1 10 ASN O O 6.793 -2.983 -0.852 . . . 1.0 . . . . . . . . . . . . A . 10 ASN O . . . . . . . . . rr_2mix 1
. 1 . 155 . 1 1 10 ASN OD1 O 3.021 -5.165 -0.180 . . . 1.0 . . . . . . . . . . . . A . 10 ASN OD1 . . . . . . . . . rr_2mix 1
. 1 . 156 . 1 1 11 GLY C C 9.645 -3.309 0.389 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2mix 1
. 1 . 157 . 1 1 11 GLY CA C 8.613 -4.356 0.769 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2mix 1
. 1 . 158 . 1 1 11 GLY H H 7.064 -3.879 2.123 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2mix 1
. 1 . 159 . 1 1 11 GLY HA2 H 9.012 -4.944 1.581 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2mix 1
. 1 . 160 . 1 1 11 GLY HA3 H 8.457 -5.005 -0.074 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2mix 1
. 1 . 161 . 1 1 11 GLY N N 7.328 -3.823 1.178 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2mix 1
. 1 . 162 . 1 1 11 GLY O O 10.567 -3.032 1.155 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2mix 1
. 1 . 163 . 1 1 12 SER C C 10.284 -0.401 -1.148 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . rr_2mix 1
. 1 . 164 . 1 1 12 SER CA C 10.531 -1.893 -1.375 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . rr_2mix 1
. 1 . 165 . 1 1 12 SER CB C 10.629 -2.184 -2.870 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . rr_2mix 1
. 1 . 166 . 1 1 12 SER H H 8.665 -2.881 -1.295 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . rr_2mix 1
. 1 . 167 . 1 1 12 SER HA H 11.468 -2.160 -0.912 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . rr_2mix 1
. 1 . 168 . 1 1 12 SER HB2 H 11.250 -1.436 -3.342 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . rr_2mix 1
. 1 . 169 . 1 1 12 SER HB3 H 11.064 -3.161 -3.019 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . rr_2mix 1
. 1 . 170 . 1 1 12 SER HG H 9.421 -2.439 -4.398 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . rr_2mix 1
. 1 . 171 . 1 1 12 SER N N 9.496 -2.734 -0.795 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . rr_2mix 1
. 1 . 172 . 1 1 12 SER O O 11.233 0.375 -1.030 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . rr_2mix 1
. 1 . 173 . 1 1 12 SER OG O 9.343 -2.158 -3.477 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . rr_2mix 1
. 1 . 174 . 1 1 13 LYS C C 7.303 1.631 -0.409 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mix 1
. 1 . 175 . 1 1 13 LYS CA C 8.684 1.420 -1.003 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mix 1
. 1 . 176 . 1 1 13 LYS CB C 8.760 2.080 -2.389 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mix 1
. 1 . 177 . 1 1 13 LYS CD C 6.622 1.869 -3.675 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mix 1
. 1 . 178 . 1 1 13 LYS CE C 6.627 3.271 -4.266 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mix 1
. 1 . 179 . 1 1 13 LYS CG C 8.020 1.330 -3.486 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mix 1
. 1 . 180 . 1 1 13 LYS H H 8.299 -0.661 -1.105 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mix 1
. 1 . 181 . 1 1 13 LYS HA H 9.412 1.887 -0.358 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mix 1
. 1 . 182 . 1 1 13 LYS HB2 H 8.326 3.068 -2.318 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mix 1
. 1 . 183 . 1 1 13 LYS HB3 H 9.789 2.170 -2.676 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mix 1
. 1 . 184 . 1 1 13 LYS HD2 H 6.075 1.211 -4.333 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mix 1
. 1 . 185 . 1 1 13 LYS HD3 H 6.149 1.895 -2.712 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mix 1
. 1 . 186 . 1 1 13 LYS HE2 H 7.198 3.919 -3.620 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mix 1
. 1 . 187 . 1 1 13 LYS HE3 H 7.091 3.236 -5.240 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mix 1
. 1 . 188 . 1 1 13 LYS HG2 H 8.564 1.425 -4.412 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mix 1
. 1 . 189 . 1 1 13 LYS HG3 H 7.951 0.291 -3.208 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mix 1
. 1 . 190 . 1 1 13 LYS HZ1 H 4.797 3.893 -3.469 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mix 1
. 1 . 191 . 1 1 13 LYS HZ2 H 4.677 3.209 -5.014 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . rr_2mix 1
. 1 . 192 . 1 1 13 LYS HZ3 H 5.290 4.772 -4.827 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mix 1
. 1 . 193 . 1 1 13 LYS N N 9.019 0.003 -1.093 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mix 1
. 1 . 194 . 1 1 13 LYS NZ N 5.254 3.823 -4.404 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mix 1
. 1 . 195 . 1 1 13 LYS O O 6.524 0.686 -0.254 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mix 1
. 1 . 196 . 1 1 14 ASP C C 4.706 3.219 -0.713 . . . 1.0 . . . . . . . . . . . . A . 14 ASP C . . . . . . . . . rr_2mix 1
. 1 . 197 . 1 1 14 ASP CA C 5.712 3.280 0.423 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CA . . . . . . . . . rr_2mix 1
. 1 . 198 . 1 1 14 ASP CB C 5.741 4.702 0.992 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CB . . . . . . . . . rr_2mix 1
. 1 . 199 . 1 1 14 ASP CG C 6.637 4.850 2.204 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CG . . . . . . . . . rr_2mix 1
. 1 . 200 . 1 1 14 ASP H H 7.727 3.563 -0.143 . . . 1.0 . . . . . . . . . . . . A . 14 ASP H . . . . . . . . . rr_2mix 1
. 1 . 201 . 1 1 14 ASP HA H 5.416 2.589 1.197 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HA . . . . . . . . . rr_2mix 1
. 1 . 202 . 1 1 14 ASP HB2 H 6.095 5.378 0.228 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB2 . . . . . . . . . rr_2mix 1
. 1 . 203 . 1 1 14 ASP HB3 H 4.738 4.986 1.275 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB3 . . . . . . . . . rr_2mix 1
. 1 . 204 . 1 1 14 ASP N N 7.024 2.882 -0.064 . . . 1.0 . . . . . . . . . . . . A . 14 ASP N . . . . . . . . . rr_2mix 1
. 1 . 205 . 1 1 14 ASP O O 4.794 3.982 -1.676 . . . 1.0 . . . . . . . . . . . . A . 14 ASP O . . . . . . . . . rr_2mix 1
. 1 . 206 . 1 1 14 ASP OD1 O 6.154 4.643 3.339 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD1 . . . . . . . . . rr_2mix 1
. 1 . 207 . 1 1 14 ASP OD2 O 7.825 5.204 2.030 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD2 . . . . . . . . . rr_2mix 1
. 1 . 208 . 1 1 15 VAL C C 1.434 2.683 -1.091 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . rr_2mix 1
. 1 . 209 . 1 1 15 VAL CA C 2.748 2.142 -1.617 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . rr_2mix 1
. 1 . 210 . 1 1 15 VAL CB C 2.565 0.663 -2.021 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . rr_2mix 1
. 1 . 211 . 1 1 15 VAL CG1 C 1.544 0.531 -3.143 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . rr_2mix 1
. 1 . 212 . 1 1 15 VAL CG2 C 3.891 0.044 -2.431 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . rr_2mix 1
. 1 . 213 . 1 1 15 VAL H H 3.733 1.745 0.194 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . rr_2mix 1
. 1 . 214 . 1 1 15 VAL HA H 3.042 2.705 -2.490 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . rr_2mix 1
. 1 . 215 . 1 1 15 VAL HB H 2.192 0.124 -1.164 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . rr_2mix 1
. 1 . 216 . 1 1 15 VAL HG11 H 0.595 0.929 -2.815 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . rr_2mix 1
. 1 . 217 . 1 1 15 VAL HG12 H 1.427 -0.511 -3.402 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . rr_2mix 1
. 1 . 218 . 1 1 15 VAL HG13 H 1.886 1.080 -4.008 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . rr_2mix 1
. 1 . 219 . 1 1 15 VAL HG21 H 3.735 -0.985 -2.717 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . rr_2mix 1
. 1 . 220 . 1 1 15 VAL HG22 H 4.581 0.088 -1.601 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . rr_2mix 1
. 1 . 221 . 1 1 15 VAL HG23 H 4.300 0.592 -3.268 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . rr_2mix 1
. 1 . 222 . 1 1 15 VAL N N 3.766 2.305 -0.607 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . rr_2mix 1
. 1 . 223 . 1 1 15 VAL O O 0.799 2.085 -0.222 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . rr_2mix 1
. 1 . 224 . 1 1 16 CYS C C -1.252 4.139 -2.293 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_2mix 1
. 1 . 225 . 1 1 16 CYS CA C -0.213 4.440 -1.223 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_2mix 1
. 1 . 226 . 1 1 16 CYS CB C -0.065 5.950 -1.047 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_2mix 1
. 1 . 227 . 1 1 16 CYS H H 1.665 4.307 -2.202 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_2mix 1
. 1 . 228 . 1 1 16 CYS HA H -0.536 4.003 -0.294 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_2mix 1
. 1 . 229 . 1 1 16 CYS HB2 H -0.365 6.434 -1.959 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_2mix 1
. 1 . 230 . 1 1 16 CYS HB3 H -0.715 6.271 -0.248 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_2mix 1
. 1 . 231 . 1 1 16 CYS N N 1.058 3.836 -1.588 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_2mix 1
. 1 . 232 . 1 1 16 CYS O O -0.946 4.170 -3.485 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_2mix 1
. 1 . 233 . 1 1 16 CYS SG S 1.629 6.513 -0.645 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_2mix 1
. 1 . 234 . 1 1 17 SER C C -4.860 3.267 -2.018 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . rr_2mix 1
. 1 . 235 . 1 1 17 SER CA C -3.548 3.465 -2.775 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . rr_2mix 1
. 1 . 236 . 1 1 17 SER CB C -3.172 2.180 -3.516 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . rr_2mix 1
. 1 . 237 . 1 1 17 SER H H -2.665 3.905 -0.899 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . rr_2mix 1
. 1 . 238 . 1 1 17 SER HA H -3.674 4.262 -3.492 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . rr_2mix 1
. 1 . 239 . 1 1 17 SER HB2 H -4.017 1.838 -4.094 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . rr_2mix 1
. 1 . 240 . 1 1 17 SER HB3 H -2.340 2.377 -4.176 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . rr_2mix 1
. 1 . 241 . 1 1 17 SER HG H -2.137 1.503 -2.000 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . rr_2mix 1
. 1 . 242 . 1 1 17 SER N N -2.474 3.847 -1.861 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . rr_2mix 1
. 1 . 243 . 1 1 17 SER O O -4.920 3.455 -0.798 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . rr_2mix 1
. 1 . 244 . 1 1 17 SER OG O -2.801 1.161 -2.606 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . rr_2mix 1
. 1 . 245 . 1 1 18 GLN C C -7.593 1.196 -2.187 . . . 1.0 . . . . . . . . . . . . A . 18 GLN C . . . . . . . . . rr_2mix 1
. 1 . 246 . 1 1 18 GLN CA C -7.218 2.677 -2.153 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CA . . . . . . . . . rr_2mix 1
. 1 . 247 . 1 1 18 GLN CB C -8.271 3.519 -2.875 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CB . . . . . . . . . rr_2mix 1
. 1 . 248 . 1 1 18 GLN CD C -9.029 5.841 -3.534 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CD . . . . . . . . . rr_2mix 1
. 1 . 249 . 1 1 18 GLN CG C -7.982 5.005 -2.824 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CG . . . . . . . . . rr_2mix 1
. 1 . 250 . 1 1 18 GLN H H -5.795 2.753 -3.710 . . . 1.0 . . . . . . . . . . . . A . 18 GLN H . . . . . . . . . rr_2mix 1
. 1 . 251 . 1 1 18 GLN HA H -7.166 2.995 -1.121 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HA . . . . . . . . . rr_2mix 1
. 1 . 252 . 1 1 18 GLN HB2 H -8.322 3.213 -3.908 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB2 . . . . . . . . . rr_2mix 1
. 1 . 253 . 1 1 18 GLN HB3 H -9.227 3.354 -2.408 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB3 . . . . . . . . . rr_2mix 1
. 1 . 254 . 1 1 18 GLN HE21 H -8.672 7.363 -2.308 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE21 . . . . . . . . . rr_2mix 1
. 1 . 255 . 1 1 18 GLN HE22 H -9.886 7.632 -3.507 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE22 . . . . . . . . . rr_2mix 1
. 1 . 256 . 1 1 18 GLN HG2 H -7.951 5.302 -1.791 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG2 . . . . . . . . . rr_2mix 1
. 1 . 257 . 1 1 18 GLN HG3 H -7.021 5.188 -3.282 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG3 . . . . . . . . . rr_2mix 1
. 1 . 258 . 1 1 18 GLN N N -5.908 2.892 -2.745 . . . 1.0 . . . . . . . . . . . . A . 18 GLN N . . . . . . . . . rr_2mix 1
. 1 . 259 . 1 1 18 GLN NE2 N -9.214 7.069 -3.071 . . . 1.0 . . . . . . . . . . . . A . 18 GLN NE2 . . . . . . . . . rr_2mix 1
. 1 . 260 . 1 1 18 GLN O O -8.252 0.724 -3.113 . . . 1.0 . . . . . . . . . . . . A . 18 GLN O . . . . . . . . . rr_2mix 1
. 1 . 261 . 1 1 18 GLN OE1 O -9.665 5.393 -4.488 . . . 1.0 . . . . . . . . . . . . A . 18 GLN OE1 . . . . . . . . . rr_2mix 1
. 1 . 262 . 1 1 19 SER C C -8.800 -1.197 -0.418 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_2mix 1
. 1 . 263 . 1 1 19 SER CA C -7.421 -0.950 -1.025 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_2mix 1
. 1 . 264 . 1 1 19 SER CB C -6.383 -1.540 -0.114 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_2mix 1
. 1 . 265 . 1 1 19 SER H H -6.580 0.914 -0.500 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_2mix 1
. 1 . 266 . 1 1 19 SER HA H -7.343 -1.440 -1.988 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_2mix 1
. 1 . 267 . 1 1 19 SER HB2 H -6.459 -1.067 0.850 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_2mix 1
. 1 . 268 . 1 1 19 SER HB3 H -6.552 -2.599 -0.005 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_2mix 1
. 1 . 269 . 1 1 19 SER HG H -4.604 -0.720 -0.037 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_2mix 1
. 1 . 270 . 1 1 19 SER N N -7.142 0.475 -1.173 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_2mix 1
. 1 . 271 . 1 1 19 SER O O -9.572 -2.015 -0.916 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_2mix 1
. 1 . 272 . 1 1 19 SER OG O -5.081 -1.317 -0.628 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_2mix 1
. 1 . 273 . 1 1 20 CYS C C -11.373 0.336 1.208 . . . 1.0 . . . . . . . . . . . . A . 20 CYS C . . . . . . . . . rr_2mix 1
. 1 . 274 . 1 1 20 CYS CA C -10.316 -0.742 1.434 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CA . . . . . . . . . rr_2mix 1
. 1 . 275 . 1 1 20 CYS CB C -9.994 -0.872 2.928 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CB . . . . . . . . . rr_2mix 1
. 1 . 276 . 1 1 20 CYS H H -8.513 0.248 0.939 . . . 1.0 . . . . . . . . . . . . A . 20 CYS H . . . . . . . . . rr_2mix 1
. 1 . 277 . 1 1 20 CYS HA H -10.708 -1.676 1.094 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HA . . . . . . . . . rr_2mix 1
. 1 . 278 . 1 1 20 CYS HB2 H -10.914 -1.030 3.470 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB2 . . . . . . . . . rr_2mix 1
. 1 . 279 . 1 1 20 CYS HB3 H -9.350 -1.725 3.074 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB3 . . . . . . . . . rr_2mix 1
. 1 . 280 . 1 1 20 CYS N N -9.105 -0.481 0.664 . . . 1.0 . . . . . . . . . . . . A . 20 CYS N . . . . . . . . . rr_2mix 1
. 1 . 281 . 1 1 20 CYS O O -12.155 0.651 2.106 . . . 1.0 . . . . . . . . . . . . A . 20 CYS O . . . . . . . . . rr_2mix 1
. 1 . 282 . 1 1 20 CYS SG S -9.167 0.575 3.663 . . . 1.0 . . . . . . . . . . . . A . 20 CYS SG . . . . . . . . . rr_2mix 1
. 1 . 283 . 1 1 21 CYS C C -13.137 1.636 -1.556 . . . 1.0 . . . . . . . . . . . . A . 21 CYS C . . . . . . . . . rr_2mix 1
. 1 . 284 . 1 1 21 CYS CA C -12.327 1.972 -0.309 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CA . . . . . . . . . rr_2mix 1
. 1 . 285 . 1 1 21 CYS CB C -11.563 3.285 -0.507 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CB . . . . . . . . . rr_2mix 1
. 1 . 286 . 1 1 21 CYS H H -10.797 0.566 -0.690 . . . 1.0 . . . . . . . . . . . . A . 21 CYS H . . . . . . . . . rr_2mix 1
. 1 . 287 . 1 1 21 CYS HA H -13.003 2.082 0.525 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HA . . . . . . . . . rr_2mix 1
. 1 . 288 . 1 1 21 CYS HB2 H -10.895 3.179 -1.347 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB2 . . . . . . . . . rr_2mix 1
. 1 . 289 . 1 1 21 CYS HB3 H -12.270 4.075 -0.713 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB3 . . . . . . . . . rr_2mix 1
. 1 . 290 . 1 1 21 CYS N N -11.403 0.894 0.006 . . . 1.0 . . . . . . . . . . . . A . 21 CYS N . . . . . . . . . rr_2mix 1
. 1 . 291 . 1 1 21 CYS O O -12.574 1.696 -2.665 . . . 1.0 . . . . . . . . . . . . A . 21 CYS O . . . . . . . . . rr_2mix 1
. 1 . 292 . 1 1 21 CYS OXT O -14.333 1.306 -1.422 . . . 1.0 . . . . . . . . . . . . A . 21 CYS OXT . . . . . . . . . rr_2mix 1
. 1 . 293 . 1 1 21 CYS SG S -10.564 3.791 0.933 . . . 1.0 . . . . . . . . . . . . A . 21 CYS SG . . . . . . . . . rr_2mix 1
. 2 . 294 . 1 1 1 THR C C -0.928 -4.995 -0.469 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . rr_2mix 1
. 2 . 295 . 1 1 1 THR CA C -0.050 -6.246 -0.411 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . rr_2mix 1
. 2 . 296 . 1 1 1 THR CB C 0.486 -6.462 1.023 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . rr_2mix 1
. 2 . 297 . 1 1 1 THR CG2 C 1.574 -5.456 1.370 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . rr_2mix 1
. 2 . 298 . 1 1 1 THR H1 H 1.641 -7.008 -1.343 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . rr_2mix 1
. 2 . 299 . 1 1 1 THR H2 H 1.651 -5.325 -1.177 . . . 1.0 . . . . . . . . . . . . A . 1 THR H2 . . . . . . . . . rr_2mix 1
. 2 . 300 . 1 1 1 THR H3 H 0.674 -6.055 -2.350 . . . 1.0 . . . . . . . . . . . . A . 1 THR H3 . . . . . . . . . rr_2mix 1
. 2 . 301 . 1 1 1 THR HA H -0.655 -7.101 -0.675 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . rr_2mix 1
. 2 . 302 . 1 1 1 THR HB H 0.913 -7.454 1.077 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . rr_2mix 1
. 2 . 303 . 1 1 1 THR HG1 H -0.393 -6.948 2.724 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . rr_2mix 1
. 2 . 304 . 1 1 1 THR HG21 H 2.403 -5.572 0.687 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . rr_2mix 1
. 2 . 305 . 1 1 1 THR HG22 H 1.914 -5.626 2.380 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . rr_2mix 1
. 2 . 306 . 1 1 1 THR HG23 H 1.178 -4.455 1.287 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . rr_2mix 1
. 2 . 307 . 1 1 1 THR N N 1.055 -6.153 -1.387 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . rr_2mix 1
. 2 . 308 . 1 1 1 THR O O -0.430 -3.876 -0.469 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . rr_2mix 1
. 2 . 309 . 1 1 1 THR OG1 O -0.582 -6.374 1.973 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . rr_2mix 1
. 2 . 310 . 1 1 2 ARG C C -3.695 -3.661 0.709 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2mix 1
. 2 . 311 . 1 1 2 ARG CA C -3.224 -4.161 -0.665 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2mix 1
. 2 . 312 . 1 1 2 ARG CB C -4.414 -4.680 -1.495 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2mix 1
. 2 . 313 . 1 1 2 ARG CD C -4.541 -2.702 -2.975 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2mix 1
. 2 . 314 . 1 1 2 ARG CG C -5.314 -3.589 -2.044 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2mix 1
. 2 . 315 . 1 1 2 ARG CZ C -2.853 -3.508 -4.601 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2mix 1
. 2 . 316 . 1 1 2 ARG H H -2.557 -6.128 -0.529 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2mix 1
. 2 . 317 . 1 1 2 ARG HA H -2.758 -3.345 -1.185 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2mix 1
. 2 . 318 . 1 1 2 ARG HB2 H -4.036 -5.255 -2.325 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2mix 1
. 2 . 319 . 1 1 2 ARG HB3 H -5.007 -5.314 -0.874 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2mix 1
. 2 . 320 . 1 1 2 ARG HD2 H -5.150 -1.850 -3.242 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2mix 1
. 2 . 321 . 1 1 2 ARG HD3 H -3.679 -2.376 -2.441 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2mix 1
. 2 . 322 . 1 1 2 ARG HE H -4.829 -3.797 -4.743 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2mix 1
. 2 . 323 . 1 1 2 ARG HG2 H -6.149 -4.020 -2.568 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2mix 1
. 2 . 324 . 1 1 2 ARG HG3 H -5.673 -2.995 -1.223 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2mix 1
. 2 . 325 . 1 1 2 ARG HH11 H -2.042 -2.529 -3.011 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2mix 1
. 2 . 326 . 1 1 2 ARG HH12 H -0.907 -3.086 -4.200 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2mix 1
. 2 . 327 . 1 1 2 ARG HH21 H -3.331 -4.525 -6.287 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2mix 1
. 2 . 328 . 1 1 2 ARG HH22 H -1.639 -4.224 -6.056 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2mix 1
. 2 . 329 . 1 1 2 ARG N N -2.235 -5.213 -0.540 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2mix 1
. 2 . 330 . 1 1 2 ARG NE N -4.120 -3.399 -4.190 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2mix 1
. 2 . 331 . 1 1 2 ARG NH1 N -1.856 -3.003 -3.879 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2mix 1
. 2 . 332 . 1 1 2 ARG NH2 N -2.586 -4.137 -5.737 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2mix 1
. 2 . 333 . 1 1 2 ARG O O -4.850 -3.302 0.862 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2mix 1
. 2 . 334 . 1 1 3 ILE C C -3.976 -2.089 3.232 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_2mix 1
. 2 . 335 . 1 1 3 ILE CA C -3.198 -3.398 3.101 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_2mix 1
. 2 . 336 . 1 1 3 ILE CB C -1.958 -3.323 4.009 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_2mix 1
. 2 . 337 . 1 1 3 ILE CD1 C 0.594 -3.194 3.963 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_2mix 1
. 2 . 338 . 1 1 3 ILE CG1 C -0.688 -3.402 3.178 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_2mix 1
. 2 . 339 . 1 1 3 ILE CG2 C -1.984 -4.426 5.041 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_2mix 1
. 2 . 340 . 1 1 3 ILE H H -1.899 -3.961 1.528 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_2mix 1
. 2 . 341 . 1 1 3 ILE HA H -3.818 -4.193 3.452 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_2mix 1
. 2 . 342 . 1 1 3 ILE HB H -1.981 -2.379 4.523 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_2mix 1
. 2 . 343 . 1 1 3 ILE HD11 H 1.430 -3.108 3.279 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_2mix 1
. 2 . 344 . 1 1 3 ILE HD12 H 0.753 -4.035 4.621 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_2mix 1
. 2 . 345 . 1 1 3 ILE HD13 H 0.515 -2.290 4.549 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_2mix 1
. 2 . 346 . 1 1 3 ILE HG12 H -0.637 -4.374 2.714 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_2mix 1
. 2 . 347 . 1 1 3 ILE HG13 H -0.741 -2.651 2.415 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_2mix 1
. 2 . 348 . 1 1 3 ILE HG21 H -1.993 -5.380 4.539 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_2mix 1
. 2 . 349 . 1 1 3 ILE HG22 H -2.868 -4.327 5.651 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_2mix 1
. 2 . 350 . 1 1 3 ILE HG23 H -1.105 -4.351 5.660 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_2mix 1
. 2 . 351 . 1 1 3 ILE N N -2.821 -3.715 1.717 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_2mix 1
. 2 . 352 . 1 1 3 ILE O O -3.409 -1.014 3.406 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_2mix 1
. 2 . 353 . 1 1 4 CYS C C -5.942 0.100 2.581 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2mix 1
. 2 . 354 . 1 1 4 CYS CA C -6.286 -1.179 3.360 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2mix 1
. 2 . 355 . 1 1 4 CYS CB C -6.589 -0.843 4.818 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2mix 1
. 2 . 356 . 1 1 4 CYS H H -5.607 -3.176 3.169 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2mix 1
. 2 . 357 . 1 1 4 CYS HA H -7.194 -1.574 2.929 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2mix 1
. 2 . 358 . 1 1 4 CYS HB2 H -5.919 -1.395 5.461 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2mix 1
. 2 . 359 . 1 1 4 CYS HB3 H -6.451 0.219 4.972 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2mix 1
. 2 . 360 . 1 1 4 CYS N N -5.287 -2.257 3.253 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2mix 1
. 2 . 361 . 1 1 4 CYS O O -5.044 0.136 1.744 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2mix 1
. 2 . 362 . 1 1 4 CYS SG S -8.303 -1.254 5.293 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2mix 1
. 2 . 363 . 1 1 5 CYS C C -5.757 3.392 2.866 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_2mix 1
. 2 . 364 . 1 1 5 CYS CA C -6.606 2.385 2.114 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_2mix 1
. 2 . 365 . 1 1 5 CYS CB C -8.008 2.930 1.900 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_2mix 1
. 2 . 366 . 1 1 5 CYS H H -7.343 1.098 3.581 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_2mix 1
. 2 . 367 . 1 1 5 CYS HA H -6.159 2.178 1.159 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_2mix 1
. 2 . 368 . 1 1 5 CYS HB2 H -8.596 2.191 1.378 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_2mix 1
. 2 . 369 . 1 1 5 CYS HB3 H -8.448 3.113 2.863 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_2mix 1
. 2 . 370 . 1 1 5 CYS N N -6.697 1.152 2.855 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_2mix 1
. 2 . 371 . 1 1 5 CYS O O -5.967 3.648 4.051 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_2mix 1
. 2 . 372 . 1 1 5 CYS SG S -8.096 4.471 0.944 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_2mix 1
. 2 . 373 . 1 1 6 GLY C C -2.476 4.565 2.132 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . rr_2mix 1
. 2 . 374 . 1 1 6 GLY CA C -3.819 4.820 2.757 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . rr_2mix 1
. 2 . 375 . 1 1 6 GLY H H -4.729 3.739 1.200 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . rr_2mix 1
. 2 . 376 . 1 1 6 GLY HA2 H -4.108 5.848 2.593 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . rr_2mix 1
. 2 . 377 . 1 1 6 GLY HA3 H -3.761 4.626 3.817 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . rr_2mix 1
. 2 . 378 . 1 1 6 GLY N N -4.793 3.944 2.161 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . rr_2mix 1
. 2 . 379 . 1 1 6 GLY O O -2.411 4.042 1.017 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . rr_2mix 1
. 2 . 380 . 1 1 7 CYS C C 0.617 3.602 3.187 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_2mix 1
. 2 . 381 . 1 1 7 CYS CA C -0.087 4.616 2.297 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_2mix 1
. 2 . 382 . 1 1 7 CYS CB C 0.744 5.901 2.198 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_2mix 1
. 2 . 383 . 1 1 7 CYS H H -1.499 5.303 3.710 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_2mix 1
. 2 . 384 . 1 1 7 CYS HA H -0.205 4.192 1.319 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_2mix 1
. 2 . 385 . 1 1 7 CYS HB2 H 1.036 6.201 3.194 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_2mix 1
. 2 . 386 . 1 1 7 CYS HB3 H 1.637 5.693 1.625 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_2mix 1
. 2 . 387 . 1 1 7 CYS N N -1.405 4.884 2.828 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_2mix 1
. 2 . 388 . 1 1 7 CYS O O 0.763 3.806 4.394 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_2mix 1
. 2 . 389 . 1 1 7 CYS SG S -0.088 7.343 1.419 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_2mix 1
. 2 . 390 . 1 1 8 TYR C C 3.056 1.151 2.766 . . . 1.0 . . . . . . . . . . . . A . 8 TYR C . . . . . . . . . rr_2mix 1
. 2 . 391 . 1 1 8 TYR CA C 1.678 1.433 3.331 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CA . . . . . . . . . rr_2mix 1
. 2 . 392 . 1 1 8 TYR CB C 0.827 0.156 3.318 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CB . . . . . . . . . rr_2mix 1
. 2 . 393 . 1 1 8 TYR CD1 C 1.057 -0.432 0.863 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD1 . . . . . . . . . rr_2mix 1
. 2 . 394 . 1 1 8 TYR CD2 C -1.121 -0.403 1.815 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD2 . . . . . . . . . rr_2mix 1
. 2 . 395 . 1 1 8 TYR CE1 C 0.521 -0.789 -0.362 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE1 . . . . . . . . . rr_2mix 1
. 2 . 396 . 1 1 8 TYR CE2 C -1.667 -0.759 0.599 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE2 . . . . . . . . . rr_2mix 1
. 2 . 397 . 1 1 8 TYR CG C 0.246 -0.232 1.970 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CG . . . . . . . . . rr_2mix 1
. 2 . 398 . 1 1 8 TYR CZ C -0.842 -0.947 -0.489 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CZ . . . . . . . . . rr_2mix 1
. 2 . 399 . 1 1 8 TYR H H 0.902 2.388 1.625 . . . 1.0 . . . . . . . . . . . . A . 8 TYR H . . . . . . . . . rr_2mix 1
. 2 . 400 . 1 1 8 TYR HA H 1.787 1.766 4.353 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HA . . . . . . . . . rr_2mix 1
. 2 . 401 . 1 1 8 TYR HB2 H 1.444 -0.661 3.640 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB2 . . . . . . . . . rr_2mix 1
. 2 . 402 . 1 1 8 TYR HB3 H 0.007 0.272 4.012 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB3 . . . . . . . . . rr_2mix 1
. 2 . 403 . 1 1 8 TYR HD1 H 2.124 -0.310 0.970 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD1 . . . . . . . . . rr_2mix 1
. 2 . 404 . 1 1 8 TYR HD2 H -1.769 -0.266 2.672 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD2 . . . . . . . . . rr_2mix 1
. 2 . 405 . 1 1 8 TYR HE1 H 1.168 -0.938 -1.212 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE1 . . . . . . . . . rr_2mix 1
. 2 . 406 . 1 1 8 TYR HE2 H -2.737 -0.895 0.508 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE2 . . . . . . . . . rr_2mix 1
. 2 . 407 . 1 1 8 TYR HH H -1.799 -0.526 -2.106 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HH . . . . . . . . . rr_2mix 1
. 2 . 408 . 1 1 8 TYR N N 1.031 2.496 2.593 . . . 1.0 . . . . . . . . . . . . A . 8 TYR N . . . . . . . . . rr_2mix 1
. 2 . 409 . 1 1 8 TYR O O 3.349 1.486 1.619 . . . 1.0 . . . . . . . . . . . . A . 8 TYR O . . . . . . . . . rr_2mix 1
. 2 . 410 . 1 1 8 TYR OH O -1.380 -1.301 -1.709 . . . 1.0 . . . . . . . . . . . . A . 8 TYR OH . . . . . . . . . rr_2mix 1
. 2 . 411 . 1 1 9 TRP C C 5.193 -1.219 2.518 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_2mix 1
. 2 . 412 . 1 1 9 TRP CA C 5.223 0.177 3.119 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_2mix 1
. 2 . 413 . 1 1 9 TRP CB C 6.240 0.235 4.258 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_2mix 1
. 2 . 414 . 1 1 9 TRP CD1 C 8.236 -1.299 3.846 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_2mix 1
. 2 . 415 . 1 1 9 TRP CD2 C 8.543 0.808 3.169 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_2mix 1
. 2 . 416 . 1 1 9 TRP CE2 C 9.699 0.069 2.870 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_2mix 1
. 2 . 417 . 1 1 9 TRP CE3 C 8.505 2.163 2.835 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_2mix 1
. 2 . 418 . 1 1 9 TRP CG C 7.620 -0.088 3.791 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_2mix 1
. 2 . 419 . 1 1 9 TRP CH2 C 10.738 1.967 1.936 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_2mix 1
. 2 . 420 . 1 1 9 TRP CZ2 C 10.805 0.640 2.252 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_2mix 1
. 2 . 421 . 1 1 9 TRP CZ3 C 9.604 2.727 2.222 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_2mix 1
. 2 . 422 . 1 1 9 TRP H H 3.631 0.336 4.490 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_2mix 1
. 2 . 423 . 1 1 9 TRP HA H 5.516 0.878 2.352 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_2mix 1
. 2 . 424 . 1 1 9 TRP HB2 H 6.248 1.227 4.681 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_2mix 1
. 2 . 425 . 1 1 9 TRP HB3 H 5.964 -0.478 5.020 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_2mix 1
. 2 . 426 . 1 1 9 TRP HD1 H 7.793 -2.190 4.263 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_2mix 1
. 2 . 427 . 1 1 9 TRP HE1 H 10.120 -1.967 3.197 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_2mix 1
. 2 . 428 . 1 1 9 TRP HE3 H 7.640 2.767 3.047 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_2mix 1
. 2 . 429 . 1 1 9 TRP HH2 H 11.571 2.451 1.458 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_2mix 1
. 2 . 430 . 1 1 9 TRP HZ2 H 11.689 0.067 2.019 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_2mix 1
. 2 . 431 . 1 1 9 TRP HZ3 H 9.591 3.771 1.951 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_2mix 1
. 2 . 432 . 1 1 9 TRP N N 3.904 0.548 3.573 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_2mix 1
. 2 . 433 . 1 1 9 TRP NE1 N 9.483 -1.217 3.287 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_2mix 1
. 2 . 434 . 1 1 9 TRP O O 5.141 -2.217 3.234 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_2mix 1
. 2 . 435 . 1 1 10 ASN C C 6.682 -2.936 0.174 . . . 1.0 . . . . . . . . . . . . A . 10 ASN C . . . . . . . . . rr_2mix 1
. 2 . 436 . 1 1 10 ASN CA C 5.238 -2.548 0.498 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CA . . . . . . . . . rr_2mix 1
. 2 . 437 . 1 1 10 ASN CB C 4.415 -2.455 -0.791 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CB . . . . . . . . . rr_2mix 1
. 2 . 438 . 1 1 10 ASN CG C 4.218 -3.797 -1.470 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CG . . . . . . . . . rr_2mix 1
. 2 . 439 . 1 1 10 ASN H H 5.166 -0.450 0.688 . . . 1.0 . . . . . . . . . . . . A . 10 ASN H . . . . . . . . . rr_2mix 1
. 2 . 440 . 1 1 10 ASN HA H 4.806 -3.302 1.141 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HA . . . . . . . . . rr_2mix 1
. 2 . 441 . 1 1 10 ASN HB2 H 3.443 -2.046 -0.558 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB2 . . . . . . . . . rr_2mix 1
. 2 . 442 . 1 1 10 ASN HB3 H 4.919 -1.794 -1.482 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB3 . . . . . . . . . rr_2mix 1
. 2 . 443 . 1 1 10 ASN HD21 H 5.922 -3.583 -2.470 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD21 . . . . . . . . . rr_2mix 1
. 2 . 444 . 1 1 10 ASN HD22 H 5.044 -5.042 -2.777 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD22 . . . . . . . . . rr_2mix 1
. 2 . 445 . 1 1 10 ASN N N 5.199 -1.279 1.201 . . . 1.0 . . . . . . . . . . . . A . 10 ASN N . . . . . . . . . rr_2mix 1
. 2 . 446 . 1 1 10 ASN ND2 N 5.153 -4.178 -2.324 . . . 1.0 . . . . . . . . . . . . A . 10 ASN ND2 . . . . . . . . . rr_2mix 1
. 2 . 447 . 1 1 10 ASN O O 7.213 -2.578 -0.882 . . . 1.0 . . . . . . . . . . . . A . 10 ASN O . . . . . . . . . rr_2mix 1
. 2 . 448 . 1 1 10 ASN OD1 O 3.228 -4.487 -1.226 . . . 1.0 . . . . . . . . . . . . A . 10 ASN OD1 . . . . . . . . . rr_2mix 1
. 2 . 449 . 1 1 11 GLY C C 9.765 -3.255 0.772 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2mix 1
. 2 . 450 . 1 1 11 GLY CA C 8.616 -4.242 0.860 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2mix 1
. 2 . 451 . 1 1 11 GLY H H 6.888 -3.761 1.979 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2mix 1
. 2 . 452 . 1 1 11 GLY HA2 H 8.829 -4.927 1.665 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2mix 1
. 2 . 453 . 1 1 11 GLY HA3 H 8.572 -4.798 -0.059 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2mix 1
. 2 . 454 . 1 1 11 GLY N N 7.313 -3.644 1.103 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2mix 1
. 2 . 455 . 1 1 11 GLY O O 10.507 -3.080 1.736 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2mix 1
. 2 . 456 . 1 1 12 SER C C 10.637 -0.335 -0.923 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . rr_2mix 1
. 2 . 457 . 1 1 12 SER CA C 11.079 -1.766 -0.616 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . rr_2mix 1
. 2 . 458 . 1 1 12 SER CB C 11.917 -2.318 -1.766 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . rr_2mix 1
. 2 . 459 . 1 1 12 SER H H 9.309 -2.795 -1.117 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . rr_2mix 1
. 2 . 460 . 1 1 12 SER HA H 11.679 -1.760 0.281 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . rr_2mix 1
. 2 . 461 . 1 1 12 SER HB2 H 11.340 -2.286 -2.678 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . rr_2mix 1
. 2 . 462 . 1 1 12 SER HB3 H 12.801 -1.718 -1.881 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . rr_2mix 1
. 2 . 463 . 1 1 12 SER HG H 12.929 -3.682 -0.779 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . rr_2mix 1
. 2 . 464 . 1 1 12 SER N N 9.946 -2.644 -0.390 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . rr_2mix 1
. 2 . 465 . 1 1 12 SER O O 11.467 0.527 -1.216 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . rr_2mix 1
. 2 . 466 . 1 1 12 SER OG O 12.301 -3.662 -1.515 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . rr_2mix 1
. 2 . 467 . 1 1 13 LYS C C 7.490 1.516 -0.476 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mix 1
. 2 . 468 . 1 1 13 LYS CA C 8.806 1.239 -1.177 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mix 1
. 2 . 469 . 1 1 13 LYS CB C 8.600 1.377 -2.679 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mix 1
. 2 . 470 . 1 1 13 LYS CD C 7.301 0.568 -4.628 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mix 1
. 2 . 471 . 1 1 13 LYS CE C 8.346 0.945 -5.664 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mix 1
. 2 . 472 . 1 1 13 LYS CG C 7.912 0.184 -3.310 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mix 1
. 2 . 473 . 1 1 13 LYS H H 8.719 -0.788 -0.559 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mix 1
. 2 . 474 . 1 1 13 LYS HA H 9.522 1.975 -0.864 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mix 1
. 2 . 475 . 1 1 13 LYS HB2 H 7.984 2.252 -2.864 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mix 1
. 2 . 476 . 1 1 13 LYS HB3 H 9.560 1.511 -3.156 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mix 1
. 2 . 477 . 1 1 13 LYS HD2 H 6.711 -0.254 -5.000 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mix 1
. 2 . 478 . 1 1 13 LYS HD3 H 6.669 1.420 -4.446 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mix 1
. 2 . 479 . 1 1 13 LYS HE2 H 7.842 1.242 -6.571 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mix 1
. 2 . 480 . 1 1 13 LYS HE3 H 8.916 1.777 -5.286 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mix 1
. 2 . 481 . 1 1 13 LYS HG2 H 8.634 -0.601 -3.468 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mix 1
. 2 . 482 . 1 1 13 LYS HG3 H 7.131 -0.158 -2.651 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mix 1
. 2 . 483 . 1 1 13 LYS HZ1 H 9.870 -0.389 -5.148 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mix 1
. 2 . 484 . 1 1 13 LYS HZ2 H 9.881 0.065 -6.777 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . rr_2mix 1
. 2 . 485 . 1 1 13 LYS HZ3 H 8.729 -1.037 -6.215 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mix 1
. 2 . 486 . 1 1 13 LYS N N 9.336 -0.080 -0.848 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mix 1
. 2 . 487 . 1 1 13 LYS NZ N 9.270 -0.181 -5.971 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mix 1
. 2 . 488 . 1 1 13 LYS O O 6.707 0.603 -0.206 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mix 1
. 2 . 489 . 1 1 14 ASP C C 5.009 3.357 -0.822 . . . 1.0 . . . . . . . . . . . . A . 14 ASP C . . . . . . . . . rr_2mix 1
. 2 . 490 . 1 1 14 ASP CA C 5.984 3.238 0.333 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CA . . . . . . . . . rr_2mix 1
. 2 . 491 . 1 1 14 ASP CB C 6.126 4.586 1.048 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CB . . . . . . . . . rr_2mix 1
. 2 . 492 . 1 1 14 ASP CG C 4.804 5.111 1.579 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CG . . . . . . . . . rr_2mix 1
. 2 . 493 . 1 1 14 ASP H H 7.977 3.443 -0.324 . . . 1.0 . . . . . . . . . . . . A . 14 ASP H . . . . . . . . . rr_2mix 1
. 2 . 494 . 1 1 14 ASP HA H 5.619 2.498 1.029 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HA . . . . . . . . . rr_2mix 1
. 2 . 495 . 1 1 14 ASP HB2 H 6.806 4.473 1.879 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB2 . . . . . . . . . rr_2mix 1
. 2 . 496 . 1 1 14 ASP HB3 H 6.529 5.310 0.356 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB3 . . . . . . . . . rr_2mix 1
. 2 . 497 . 1 1 14 ASP N N 7.262 2.786 -0.182 . . . 1.0 . . . . . . . . . . . . A . 14 ASP N . . . . . . . . . rr_2mix 1
. 2 . 498 . 1 1 14 ASP O O 5.243 4.107 -1.772 . . . 1.0 . . . . . . . . . . . . A . 14 ASP O . . . . . . . . . rr_2mix 1
. 2 . 499 . 1 1 14 ASP OD1 O 4.446 4.783 2.729 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD1 . . . . . . . . . rr_2mix 1
. 2 . 500 . 1 1 14 ASP OD2 O 4.129 5.877 0.857 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD2 . . . . . . . . . rr_2mix 1
. 2 . 501 . 1 1 15 VAL C C 1.611 2.933 -1.281 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . rr_2mix 1
. 2 . 502 . 1 1 15 VAL CA C 2.969 2.538 -1.814 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . rr_2mix 1
. 2 . 503 . 1 1 15 VAL CB C 2.893 1.123 -2.428 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . rr_2mix 1
. 2 . 504 . 1 1 15 VAL CG1 C 1.876 1.073 -3.557 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . rr_2mix 1
. 2 . 505 . 1 1 15 VAL CG2 C 4.261 0.678 -2.923 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . rr_2mix 1
. 2 . 506 . 1 1 15 VAL H H 3.763 2.097 0.073 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . rr_2mix 1
. 2 . 507 . 1 1 15 VAL HA H 3.266 3.235 -2.585 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . rr_2mix 1
. 2 . 508 . 1 1 15 VAL HB H 2.576 0.438 -1.657 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . rr_2mix 1
. 2 . 509 . 1 1 15 VAL HG11 H 2.164 1.770 -4.330 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . rr_2mix 1
. 2 . 510 . 1 1 15 VAL HG12 H 0.902 1.340 -3.177 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . rr_2mix 1
. 2 . 511 . 1 1 15 VAL HG13 H 1.843 0.074 -3.966 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . rr_2mix 1
. 2 . 512 . 1 1 15 VAL HG21 H 4.185 -0.309 -3.350 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . rr_2mix 1
. 2 . 513 . 1 1 15 VAL HG22 H 4.955 0.661 -2.095 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . rr_2mix 1
. 2 . 514 . 1 1 15 VAL HG23 H 4.615 1.369 -3.674 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . rr_2mix 1
. 2 . 515 . 1 1 15 VAL N N 3.935 2.605 -0.747 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . rr_2mix 1
. 2 . 516 . 1 1 15 VAL O O 1.066 2.290 -0.386 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . rr_2mix 1
. 2 . 517 . 1 1 16 CYS C C -1.284 3.904 -2.316 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_2mix 1
. 2 . 518 . 1 1 16 CYS CA C -0.224 4.462 -1.381 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_2mix 1
. 2 . 519 . 1 1 16 CYS CB C -0.301 5.986 -1.323 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_2mix 1
. 2 . 520 . 1 1 16 CYS H H 1.613 4.536 -2.437 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_2mix 1
. 2 . 521 . 1 1 16 CYS HA H -0.407 4.068 -0.400 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_2mix 1
. 2 . 522 . 1 1 16 CYS HB2 H 0.688 6.389 -1.176 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_2mix 1
. 2 . 523 . 1 1 16 CYS HB3 H -0.701 6.344 -2.256 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_2mix 1
. 2 . 524 . 1 1 16 CYS N N 1.092 4.016 -1.789 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_2mix 1
. 2 . 525 . 1 1 16 CYS O O -1.125 3.902 -3.537 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_2mix 1
. 2 . 526 . 1 1 16 CYS SG S -1.369 6.615 0.012 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_2mix 1
. 2 . 527 . 1 1 17 SER C C -4.757 2.924 -1.782 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . rr_2mix 1
. 2 . 528 . 1 1 17 SER CA C -3.416 2.758 -2.482 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . rr_2mix 1
. 2 . 529 . 1 1 17 SER CB C -3.111 1.264 -2.636 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . rr_2mix 1
. 2 . 530 . 1 1 17 SER H H -2.458 3.523 -0.757 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . rr_2mix 1
. 2 . 531 . 1 1 17 SER HA H -3.468 3.212 -3.458 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . rr_2mix 1
. 2 . 532 . 1 1 17 SER HB2 H -3.093 0.801 -1.661 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . rr_2mix 1
. 2 . 533 . 1 1 17 SER HB3 H -3.881 0.803 -3.237 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . rr_2mix 1
. 2 . 534 . 1 1 17 SER HG H -1.524 1.890 -3.606 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . rr_2mix 1
. 2 . 535 . 1 1 17 SER N N -2.360 3.417 -1.731 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . rr_2mix 1
. 2 . 536 . 1 1 17 SER O O -4.817 3.114 -0.565 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . rr_2mix 1
. 2 . 537 . 1 1 17 SER OG O -1.857 1.051 -3.260 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . rr_2mix 1
. 2 . 538 . 1 1 18 GLN C C -7.782 1.514 -2.047 . . . 1.0 . . . . . . . . . . . . A . 18 GLN C . . . . . . . . . rr_2mix 1
. 2 . 539 . 1 1 18 GLN CA C -7.165 2.903 -2.004 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CA . . . . . . . . . rr_2mix 1
. 2 . 540 . 1 1 18 GLN CB C -8.011 3.907 -2.787 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CB . . . . . . . . . rr_2mix 1
. 2 . 541 . 1 1 18 GLN CD C -8.273 6.312 -3.525 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CD . . . . . . . . . rr_2mix 1
. 2 . 542 . 1 1 18 GLN CG C -7.487 5.325 -2.687 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CG . . . . . . . . . rr_2mix 1
. 2 . 543 . 1 1 18 GLN H H -5.712 2.782 -3.527 . . . 1.0 . . . . . . . . . . . . A . 18 GLN H . . . . . . . . . rr_2mix 1
. 2 . 544 . 1 1 18 GLN HA H -7.096 3.218 -0.965 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HA . . . . . . . . . rr_2mix 1
. 2 . 545 . 1 1 18 GLN HB2 H -8.024 3.619 -3.827 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB2 . . . . . . . . . rr_2mix 1
. 2 . 546 . 1 1 18 GLN HB3 H -9.012 3.895 -2.405 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB3 . . . . . . . . . rr_2mix 1
. 2 . 547 . 1 1 18 GLN HE21 H -6.641 7.413 -3.787 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE21 . . . . . . . . . rr_2mix 1
. 2 . 548 . 1 1 18 GLN HE22 H -8.076 8.001 -4.554 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE22 . . . . . . . . . rr_2mix 1
. 2 . 549 . 1 1 18 GLN HG2 H -7.545 5.628 -1.658 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG2 . . . . . . . . . rr_2mix 1
. 2 . 550 . 1 1 18 GLN HG3 H -6.456 5.339 -3.009 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG3 . . . . . . . . . rr_2mix 1
. 2 . 551 . 1 1 18 GLN N N -5.826 2.858 -2.554 . . . 1.0 . . . . . . . . . . . . A . 18 GLN N . . . . . . . . . rr_2mix 1
. 2 . 552 . 1 1 18 GLN NE2 N -7.597 7.345 -4.001 . . . 1.0 . . . . . . . . . . . . A . 18 GLN NE2 . . . . . . . . . rr_2mix 1
. 2 . 553 . 1 1 18 GLN O O -8.600 1.196 -2.908 . . . 1.0 . . . . . . . . . . . . A . 18 GLN O . . . . . . . . . rr_2mix 1
. 2 . 554 . 1 1 18 GLN OE1 O -9.475 6.151 -3.738 . . . 1.0 . . . . . . . . . . . . A . 18 GLN OE1 . . . . . . . . . rr_2mix 1
. 2 . 555 . 1 1 19 SER C C -9.221 -0.709 -0.346 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_2mix 1
. 2 . 556 . 1 1 19 SER CA C -7.833 -0.672 -0.981 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_2mix 1
. 2 . 557 . 1 1 19 SER CB C -6.867 -1.410 -0.103 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_2mix 1
. 2 . 558 . 1 1 19 SER H H -6.696 1.019 -0.457 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_2mix 1
. 2 . 559 . 1 1 19 SER HA H -7.834 -1.141 -1.959 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_2mix 1
. 2 . 560 . 1 1 19 SER HB2 H -7.016 -1.108 0.918 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_2mix 1
. 2 . 561 . 1 1 19 SER HB3 H -7.029 -2.471 -0.196 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_2mix 1
. 2 . 562 . 1 1 19 SER HG H -4.958 -1.183 0.282 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_2mix 1
. 2 . 563 . 1 1 19 SER N N -7.366 0.696 -1.099 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_2mix 1
. 2 . 564 . 1 1 19 SER O O -10.173 -1.236 -0.914 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_2mix 1
. 2 . 565 . 1 1 19 SER OG O -5.538 -1.103 -0.488 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_2mix 1
. 2 . 566 . 1 1 20 CYS C C -11.367 1.149 1.394 . . . 1.0 . . . . . . . . . . . . A . 20 CYS C . . . . . . . . . rr_2mix 1
. 2 . 567 . 1 1 20 CYS CA C -10.549 -0.124 1.623 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CA . . . . . . . . . rr_2mix 1
. 2 . 568 . 1 1 20 CYS CB C -10.219 -0.267 3.116 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CB . . . . . . . . . rr_2mix 1
. 2 . 569 . 1 1 20 CYS H H -8.533 0.342 1.204 . . . 1.0 . . . . . . . . . . . . A . 20 CYS H . . . . . . . . . rr_2mix 1
. 2 . 570 . 1 1 20 CYS HA H -11.132 -0.975 1.309 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HA . . . . . . . . . rr_2mix 1
. 2 . 571 . 1 1 20 CYS HB2 H -9.682 0.609 3.442 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB2 . . . . . . . . . rr_2mix 1
. 2 . 572 . 1 1 20 CYS HB3 H -11.142 -0.344 3.673 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB3 . . . . . . . . . rr_2mix 1
. 2 . 573 . 1 1 20 CYS N N -9.317 -0.112 0.840 . . . 1.0 . . . . . . . . . . . . A . 20 CYS N . . . . . . . . . rr_2mix 1
. 2 . 574 . 1 1 20 CYS O O -12.269 1.462 2.170 . . . 1.0 . . . . . . . . . . . . A . 20 CYS O . . . . . . . . . rr_2mix 1
. 2 . 575 . 1 1 20 CYS SG S -9.199 -1.727 3.525 . . . 1.0 . . . . . . . . . . . . A . 20 CYS SG . . . . . . . . . rr_2mix 1
. 2 . 576 . 1 1 21 CYS C C -12.695 2.826 -1.191 . . . 1.0 . . . . . . . . . . . . A . 21 CYS C . . . . . . . . . rr_2mix 1
. 2 . 577 . 1 1 21 CYS CA C -11.789 3.094 -0.001 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CA . . . . . . . . . rr_2mix 1
. 2 . 578 . 1 1 21 CYS CB C -10.852 4.263 -0.318 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CB . . . . . . . . . rr_2mix 1
. 2 . 579 . 1 1 21 CYS H H -10.303 1.607 -0.236 . . . 1.0 . . . . . . . . . . . . A . 21 CYS H . . . . . . . . . rr_2mix 1
. 2 . 580 . 1 1 21 CYS HA H -12.401 3.355 0.849 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HA . . . . . . . . . rr_2mix 1
. 2 . 581 . 1 1 21 CYS HB2 H -10.077 3.915 -0.973 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB2 . . . . . . . . . rr_2mix 1
. 2 . 582 . 1 1 21 CYS HB3 H -11.415 5.040 -0.815 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB3 . . . . . . . . . rr_2mix 1
. 2 . 583 . 1 1 21 CYS N N -11.043 1.888 0.340 . . . 1.0 . . . . . . . . . . . . A . 21 CYS N . . . . . . . . . rr_2mix 1
. 2 . 584 . 1 1 21 CYS O O -12.233 2.977 -2.340 . . . 1.0 . . . . . . . . . . . . A . 21 CYS O . . . . . . . . . rr_2mix 1
. 2 . 585 . 1 1 21 CYS OXT O -13.863 2.449 -0.967 . . . 1.0 . . . . . . . . . . . . A . 21 CYS OXT . . . . . . . . . rr_2mix 1
. 2 . 586 . 1 1 21 CYS SG S -10.041 5.010 1.134 . . . 1.0 . . . . . . . . . . . . A . 21 CYS SG . . . . . . . . . rr_2mix 1
. 3 . 587 . 1 1 1 THR C C -1.426 -5.044 -0.432 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . rr_2mix 1
. 3 . 588 . 1 1 1 THR CA C -0.398 -6.152 -0.684 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . rr_2mix 1
. 3 . 589 . 1 1 1 THR CB C 0.175 -6.685 0.654 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . rr_2mix 1
. 3 . 590 . 1 1 1 THR CG2 C 1.111 -5.675 1.303 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . rr_2mix 1
. 3 . 591 . 1 1 1 THR H1 H 1.367 -6.430 -1.744 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . rr_2mix 1
. 3 . 592 . 1 1 1 THR H2 H 1.162 -4.860 -1.155 . . . 1.0 . . . . . . . . . . . . A . 1 THR H2 . . . . . . . . . rr_2mix 1
. 3 . 593 . 1 1 1 THR H3 H 0.272 -5.382 -2.492 . . . 1.0 . . . . . . . . . . . . A . 1 THR H3 . . . . . . . . . rr_2mix 1
. 3 . 594 . 1 1 1 THR HA H -0.901 -6.971 -1.180 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . rr_2mix 1
. 3 . 595 . 1 1 1 THR HB H 0.740 -7.581 0.442 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . rr_2mix 1
. 3 . 596 . 1 1 1 THR HG1 H -1.449 -7.694 1.154 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . rr_2mix 1
. 3 . 597 . 1 1 1 THR HG21 H 1.977 -5.531 0.672 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . rr_2mix 1
. 3 . 598 . 1 1 1 THR HG22 H 1.425 -6.044 2.268 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . rr_2mix 1
. 3 . 599 . 1 1 1 THR HG23 H 0.596 -4.735 1.426 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . rr_2mix 1
. 3 . 600 . 1 1 1 THR N N 0.675 -5.675 -1.579 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . rr_2mix 1
. 3 . 601 . 1 1 1 THR O O -1.075 -3.910 -0.118 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . rr_2mix 1
. 3 . 602 . 1 1 1 THR OG1 O -0.886 -7.021 1.559 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . rr_2mix 1
. 3 . 603 . 1 1 2 ARG C C -4.178 -3.988 0.888 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2mix 1
. 3 . 604 . 1 1 2 ARG CA C -3.825 -4.490 -0.524 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2mix 1
. 3 . 605 . 1 1 2 ARG CB C -5.022 -5.194 -1.157 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2mix 1
. 3 . 606 . 1 1 2 ARG CD C -7.020 -4.934 -2.578 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2mix 1
. 3 . 607 . 1 1 2 ARG CG C -6.141 -4.273 -1.569 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2mix 1
. 3 . 608 . 1 1 2 ARG CZ C -9.145 -6.154 -2.267 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2mix 1
. 3 . 609 . 1 1 2 ARG H H -2.899 -6.351 -0.740 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2mix 1
. 3 . 610 . 1 1 2 ARG HA H -3.569 -3.637 -1.129 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2mix 1
. 3 . 611 . 1 1 2 ARG HB2 H -4.688 -5.726 -2.033 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2mix 1
. 3 . 612 . 1 1 2 ARG HB3 H -5.419 -5.899 -0.453 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2mix 1
. 3 . 613 . 1 1 2 ARG HD2 H -7.646 -4.192 -3.051 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2mix 1
. 3 . 614 . 1 1 2 ARG HD3 H -6.371 -5.379 -3.300 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2mix 1
. 3 . 615 . 1 1 2 ARG HE H -7.437 -6.561 -1.313 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2mix 1
. 3 . 616 . 1 1 2 ARG HG2 H -6.734 -4.034 -0.706 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2mix 1
. 3 . 617 . 1 1 2 ARG HG3 H -5.722 -3.381 -1.991 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2mix 1
. 3 . 618 . 1 1 2 ARG HH11 H -9.246 -4.654 -3.629 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2mix 1
. 3 . 619 . 1 1 2 ARG HH12 H -10.723 -5.527 -3.375 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2mix 1
. 3 . 620 . 1 1 2 ARG HH21 H -9.377 -7.696 -0.975 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2mix 1
. 3 . 621 . 1 1 2 ARG HH22 H -10.805 -7.247 -1.855 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2mix 1
. 3 . 622 . 1 1 2 ARG N N -2.696 -5.407 -0.564 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2mix 1
. 3 . 623 . 1 1 2 ARG NE N -7.858 -5.971 -1.979 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2mix 1
. 3 . 624 . 1 1 2 ARG NH1 N -9.751 -5.383 -3.162 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2mix 1
. 3 . 625 . 1 1 2 ARG NH2 N -9.828 -7.110 -1.653 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2mix 1
. 3 . 626 . 1 1 2 ARG O O -5.355 -3.834 1.206 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2mix 1
. 3 . 627 . 1 1 3 ILE C C -4.110 -1.989 3.186 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_2mix 1
. 3 . 628 . 1 1 3 ILE CA C -3.490 -3.388 3.133 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_2mix 1
. 3 . 629 . 1 1 3 ILE CB C -2.221 -3.395 4.005 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_2mix 1
. 3 . 630 . 1 1 3 ILE CD1 C 0.333 -3.313 3.891 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_2mix 1
. 3 . 631 . 1 1 3 ILE CG1 C -0.976 -3.440 3.131 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_2mix 1
. 3 . 632 . 1 1 3 ILE CG2 C -2.239 -4.560 4.963 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_2mix 1
. 3 . 633 . 1 1 3 ILE H H -2.268 -3.946 1.490 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_2mix 1
. 3 . 634 . 1 1 3 ILE HA H -4.185 -4.083 3.552 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_2mix 1
. 3 . 635 . 1 1 3 ILE HB H -2.210 -2.487 4.578 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_2mix 1
. 3 . 636 . 1 1 3 ILE HD11 H 1.155 -3.243 3.188 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_2mix 1
. 3 . 637 . 1 1 3 ILE HD12 H 0.470 -4.181 4.518 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_2mix 1
. 3 . 638 . 1 1 3 ILE HD13 H 0.310 -2.425 4.505 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_2mix 1
. 3 . 639 . 1 1 3 ILE HG12 H -0.963 -4.376 2.599 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_2mix 1
. 3 . 640 . 1 1 3 ILE HG13 H -1.030 -2.634 2.424 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_2mix 1
. 3 . 641 . 1 1 3 ILE HG21 H -3.081 -4.465 5.630 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_2mix 1
. 3 . 642 . 1 1 3 ILE HG22 H -1.323 -4.562 5.532 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_2mix 1
. 3 . 643 . 1 1 3 ILE HG23 H -2.321 -5.477 4.405 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_2mix 1
. 3 . 644 . 1 1 3 ILE N N -3.195 -3.818 1.767 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_2mix 1
. 3 . 645 . 1 1 3 ILE O O -3.426 -0.991 3.350 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_2mix 1
. 3 . 646 . 1 1 4 CYS C C -5.812 0.453 2.539 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2mix 1
. 3 . 647 . 1 1 4 CYS CA C -6.276 -0.792 3.312 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2mix 1
. 3 . 648 . 1 1 4 CYS CB C -6.501 -0.479 4.785 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2mix 1
. 3 . 649 . 1 1 4 CYS H H -5.869 -2.850 3.045 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2mix 1
. 3 . 650 . 1 1 4 CYS HA H -7.235 -1.068 2.901 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2mix 1
. 3 . 651 . 1 1 4 CYS HB2 H -5.577 -0.619 5.330 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2mix 1
. 3 . 652 . 1 1 4 CYS HB3 H -6.836 0.541 4.890 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2mix 1
. 3 . 653 . 1 1 4 CYS N N -5.430 -1.987 3.174 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2mix 1
. 3 . 654 . 1 1 4 CYS O O -4.899 0.410 1.715 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2mix 1
. 3 . 655 . 1 1 4 CYS SG S -7.763 -1.565 5.515 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2mix 1
. 3 . 656 . 1 1 5 CYS C C -5.337 3.720 2.795 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_2mix 1
. 3 . 657 . 1 1 5 CYS CA C -6.259 2.785 2.037 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_2mix 1
. 3 . 658 . 1 1 5 CYS CB C -7.584 3.484 1.756 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_2mix 1
. 3 . 659 . 1 1 5 CYS H H -7.183 1.558 3.483 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_2mix 1
. 3 . 660 . 1 1 5 CYS HA H -5.802 2.523 1.103 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_2mix 1
. 3 . 661 . 1 1 5 CYS HB2 H -8.060 3.708 2.693 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_2mix 1
. 3 . 662 . 1 1 5 CYS HB3 H -7.397 4.402 1.219 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_2mix 1
. 3 . 663 . 1 1 5 CYS N N -6.491 1.563 2.787 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_2mix 1
. 3 . 664 . 1 1 5 CYS O O -5.280 3.704 4.027 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_2mix 1
. 3 . 665 . 1 1 5 CYS SG S -8.739 2.482 0.770 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_2mix 1
. 3 . 666 . 1 1 6 GLY C C -2.252 5.012 2.044 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . rr_2mix 1
. 3 . 667 . 1 1 6 GLY CA C -3.597 5.367 2.618 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . rr_2mix 1
. 3 . 668 . 1 1 6 GLY H H -4.762 4.541 1.073 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . rr_2mix 1
. 3 . 669 . 1 1 6 GLY HA2 H -3.821 6.399 2.395 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . rr_2mix 1
. 3 . 670 . 1 1 6 GLY HA3 H -3.576 5.225 3.687 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . rr_2mix 1
. 3 . 671 . 1 1 6 GLY N N -4.614 4.526 2.044 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . rr_2mix 1
. 3 . 672 . 1 1 6 GLY O O -2.159 4.647 0.872 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . rr_2mix 1
. 3 . 673 . 1 1 7 CYS C C 0.693 3.650 3.305 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_2mix 1
. 3 . 674 . 1 1 7 CYS CA C 0.113 4.733 2.405 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_2mix 1
. 3 . 675 . 1 1 7 CYS CB C 1.013 5.965 2.411 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_2mix 1
. 3 . 676 . 1 1 7 CYS H H -1.351 5.394 3.777 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_2mix 1
. 3 . 677 . 1 1 7 CYS HA H 0.037 4.355 1.396 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_2mix 1
. 3 . 678 . 1 1 7 CYS HB2 H 1.119 6.319 3.425 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_2mix 1
. 3 . 679 . 1 1 7 CYS HB3 H 1.985 5.695 2.025 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_2mix 1
. 3 . 680 . 1 1 7 CYS N N -1.218 5.092 2.853 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_2mix 1
. 3 . 681 . 1 1 7 CYS O O 0.753 3.815 4.524 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_2mix 1
. 3 . 682 . 1 1 7 CYS SG S 0.381 7.350 1.404 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_2mix 1
. 3 . 683 . 1 1 8 TYR C C 3.075 1.124 2.910 . . . 1.0 . . . . . . . . . . . . A . 8 TYR C . . . . . . . . . rr_2mix 1
. 3 . 684 . 1 1 8 TYR CA C 1.698 1.452 3.461 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CA . . . . . . . . . rr_2mix 1
. 3 . 685 . 1 1 8 TYR CB C 0.811 0.198 3.438 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CB . . . . . . . . . rr_2mix 1
. 3 . 686 . 1 1 8 TYR CD1 C 1.032 -0.322 0.962 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD1 . . . . . . . . . rr_2mix 1
. 3 . 687 . 1 1 8 TYR CD2 C -1.127 -0.423 1.946 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD2 . . . . . . . . . rr_2mix 1
. 3 . 688 . 1 1 8 TYR CE1 C 0.493 -0.679 -0.262 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE1 . . . . . . . . . rr_2mix 1
. 3 . 689 . 1 1 8 TYR CE2 C -1.673 -0.781 0.731 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE2 . . . . . . . . . rr_2mix 1
. 3 . 690 . 1 1 8 TYR CG C 0.231 -0.185 2.086 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CG . . . . . . . . . rr_2mix 1
. 3 . 691 . 1 1 8 TYR CZ C -0.861 -0.907 -0.371 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CZ . . . . . . . . . rr_2mix 1
. 3 . 692 . 1 1 8 TYR H H 0.980 2.436 1.741 . . . 1.0 . . . . . . . . . . . . A . 8 TYR H . . . . . . . . . rr_2mix 1
. 3 . 693 . 1 1 8 TYR HA H 1.807 1.783 4.483 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HA . . . . . . . . . rr_2mix 1
. 3 . 694 . 1 1 8 TYR HB2 H 1.399 -0.635 3.770 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB2 . . . . . . . . . rr_2mix 1
. 3 . 695 . 1 1 8 TYR HB3 H -0.012 0.342 4.123 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB3 . . . . . . . . . rr_2mix 1
. 3 . 696 . 1 1 8 TYR HD1 H 2.092 -0.145 1.055 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD1 . . . . . . . . . rr_2mix 1
. 3 . 697 . 1 1 8 TYR HD2 H -1.768 -0.336 2.815 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD2 . . . . . . . . . rr_2mix 1
. 3 . 698 . 1 1 8 TYR HE1 H 1.134 -0.780 -1.124 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE1 . . . . . . . . . rr_2mix 1
. 3 . 699 . 1 1 8 TYR HE2 H -2.737 -0.967 0.653 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE2 . . . . . . . . . rr_2mix 1
. 3 . 700 . 1 1 8 TYR HH H -2.280 -0.872 -1.671 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HH . . . . . . . . . rr_2mix 1
. 3 . 701 . 1 1 8 TYR N N 1.093 2.536 2.712 . . . 1.0 . . . . . . . . . . . . A . 8 TYR N . . . . . . . . . rr_2mix 1
. 3 . 702 . 1 1 8 TYR O O 3.351 1.354 1.736 . . . 1.0 . . . . . . . . . . . . A . 8 TYR O . . . . . . . . . rr_2mix 1
. 3 . 703 . 1 1 8 TYR OH O -1.403 -1.262 -1.586 . . . 1.0 . . . . . . . . . . . . A . 8 TYR OH . . . . . . . . . rr_2mix 1
. 3 . 704 . 1 1 9 TRP C C 5.140 -1.242 2.707 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_2mix 1
. 3 . 705 . 1 1 9 TRP CA C 5.245 0.159 3.290 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_2mix 1
. 3 . 706 . 1 1 9 TRP CB C 6.287 0.181 4.408 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_2mix 1
. 3 . 707 . 1 1 9 TRP CD1 C 8.171 -1.475 3.919 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_2mix 1
. 3 . 708 . 1 1 9 TRP CD2 C 8.634 0.635 3.339 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_2mix 1
. 3 . 709 . 1 1 9 TRP CE2 C 9.734 -0.175 3.002 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_2mix 1
. 3 . 710 . 1 1 9 TRP CE3 C 8.699 2.005 3.069 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_2mix 1
. 3 . 711 . 1 1 9 TRP CG C 7.644 -0.220 3.919 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_2mix 1
. 3 . 712 . 1 1 9 TRP CH2 C 10.914 1.687 2.155 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_2mix 1
. 3 . 713 . 1 1 9 TRP CZ2 C 10.881 0.343 2.406 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_2mix 1
. 3 . 714 . 1 1 9 TRP CZ3 C 9.838 2.515 2.481 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_2mix 1
. 3 . 715 . 1 1 9 TRP H H 3.707 0.503 4.702 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_2mix 1
. 3 . 716 . 1 1 9 TRP HA H 5.557 0.833 2.508 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_2mix 1
. 3 . 717 . 1 1 9 TRP HB2 H 6.355 1.177 4.815 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_2mix 1
. 3 . 718 . 1 1 9 TRP HB3 H 5.993 -0.507 5.188 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_2mix 1
. 3 . 719 . 1 1 9 TRP HD1 H 7.660 -2.347 4.297 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_2mix 1
. 3 . 720 . 1 1 9 TRP HE1 H 10.001 -2.250 3.236 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_2mix 1
. 3 . 721 . 1 1 9 TRP HE3 H 7.880 2.661 3.312 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_2mix 1
. 3 . 722 . 1 1 9 TRP HH2 H 11.782 2.131 1.699 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_2mix 1
. 3 . 723 . 1 1 9 TRP HZ2 H 11.722 -0.282 2.145 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_2mix 1
. 3 . 724 . 1 1 9 TRP HZ3 H 9.904 3.572 2.264 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_2mix 1
. 3 . 725 . 1 1 9 TRP N N 3.945 0.597 3.753 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_2mix 1
. 3 . 726 . 1 1 9 TRP NE1 N 9.422 -1.462 3.360 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_2mix 1
. 3 . 727 . 1 1 9 TRP O O 5.096 -2.233 3.442 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_2mix 1
. 3 . 728 . 1 1 10 ASN C C 6.453 -2.964 0.232 . . . 1.0 . . . . . . . . . . . . A . 10 ASN C . . . . . . . . . rr_2mix 1
. 3 . 729 . 1 1 10 ASN CA C 5.045 -2.583 0.692 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CA . . . . . . . . . rr_2mix 1
. 3 . 730 . 1 1 10 ASN CB C 4.097 -2.508 -0.511 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CB . . . . . . . . . rr_2mix 1
. 3 . 731 . 1 1 10 ASN CG C 3.968 -3.832 -1.244 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CG . . . . . . . . . rr_2mix 1
. 3 . 732 . 1 1 10 ASN H H 5.008 -0.484 0.873 . . . 1.0 . . . . . . . . . . . . A . 10 ASN H . . . . . . . . . rr_2mix 1
. 3 . 733 . 1 1 10 ASN HA H 4.686 -3.335 1.378 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HA . . . . . . . . . rr_2mix 1
. 3 . 734 . 1 1 10 ASN HB2 H 3.117 -2.215 -0.167 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB2 . . . . . . . . . rr_2mix 1
. 3 . 735 . 1 1 10 ASN HB3 H 4.465 -1.767 -1.204 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB3 . . . . . . . . . rr_2mix 1
. 3 . 736 . 1 1 10 ASN HD21 H 5.451 -3.338 -2.473 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD21 . . . . . . . . . rr_2mix 1
. 3 . 737 . 1 1 10 ASN HD22 H 4.728 -4.884 -2.741 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD22 . . . . . . . . . rr_2mix 1
. 3 . 738 . 1 1 10 ASN N N 5.065 -1.312 1.391 . . . 1.0 . . . . . . . . . . . . A . 10 ASN N . . . . . . . . . rr_2mix 1
. 3 . 739 . 1 1 10 ASN ND2 N 4.798 -4.040 -2.253 . . . 1.0 . . . . . . . . . . . . A . 10 ASN ND2 . . . . . . . . . rr_2mix 1
. 3 . 740 . 1 1 10 ASN O O 6.879 -2.601 -0.867 . . . 1.0 . . . . . . . . . . . . A . 10 ASN O . . . . . . . . . rr_2mix 1
. 3 . 741 . 1 1 10 ASN OD1 O 3.124 -4.658 -0.907 . . . 1.0 . . . . . . . . . . . . A . 10 ASN OD1 . . . . . . . . . rr_2mix 1
. 3 . 742 . 1 1 11 GLY C C 9.555 -3.260 0.439 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2mix 1
. 3 . 743 . 1 1 11 GLY CA C 8.452 -4.258 0.743 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2mix 1
. 3 . 744 . 1 1 11 GLY H H 6.822 -3.795 2.007 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2mix 1
. 3 . 745 . 1 1 11 GLY HA2 H 8.778 -4.881 1.560 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2mix 1
. 3 . 746 . 1 1 11 GLY HA3 H 8.308 -4.883 -0.121 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2mix 1
. 3 . 747 . 1 1 11 GLY N N 7.170 -3.670 1.099 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2mix 1
. 3 . 748 . 1 1 11 GLY O O 10.389 -2.969 1.293 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2mix 1
. 3 . 749 . 1 1 12 SER C C 10.394 -0.444 -1.155 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . rr_2mix 1
. 3 . 750 . 1 1 12 SER CA C 10.684 -1.938 -1.252 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . rr_2mix 1
. 3 . 751 . 1 1 12 SER CB C 11.001 -2.313 -2.699 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . rr_2mix 1
. 3 . 752 . 1 1 12 SER H H 8.818 -2.920 -1.383 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . rr_2mix 1
. 3 . 753 . 1 1 12 SER HA H 11.543 -2.164 -0.640 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . rr_2mix 1
. 3 . 754 . 1 1 12 SER HB2 H 11.701 -1.599 -3.109 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . rr_2mix 1
. 3 . 755 . 1 1 12 SER HB3 H 11.435 -3.301 -2.726 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . rr_2mix 1
. 3 . 756 . 1 1 12 SER HG H 10.050 -2.058 -4.397 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . rr_2mix 1
. 3 . 757 . 1 1 12 SER N N 9.573 -2.749 -0.781 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . rr_2mix 1
. 3 . 758 . 1 1 12 SER O O 11.312 0.376 -1.194 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . rr_2mix 1
. 3 . 759 . 1 1 12 SER OG O 9.823 -2.309 -3.493 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . rr_2mix 1
. 3 . 760 . 1 1 13 LYS C C 7.424 1.552 -0.329 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mix 1
. 3 . 761 . 1 1 13 LYS CA C 8.745 1.321 -1.033 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mix 1
. 3 . 762 . 1 1 13 LYS CB C 8.666 1.843 -2.467 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mix 1
. 3 . 763 . 1 1 13 LYS CD C 8.325 1.188 -4.854 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mix 1
. 3 . 764 . 1 1 13 LYS CE C 7.926 2.581 -5.320 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mix 1
. 3 . 765 . 1 1 13 LYS CG C 7.926 0.921 -3.420 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mix 1
. 3 . 766 . 1 1 13 LYS H H 8.433 -0.772 -0.924 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mix 1
. 3 . 767 . 1 1 13 LYS HA H 9.515 1.865 -0.514 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mix 1
. 3 . 768 . 1 1 13 LYS HB2 H 8.153 2.794 -2.460 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mix 1
. 3 . 769 . 1 1 13 LYS HB3 H 9.668 1.985 -2.843 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mix 1
. 3 . 770 . 1 1 13 LYS HD2 H 9.395 1.093 -4.919 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mix 1
. 3 . 771 . 1 1 13 LYS HD3 H 7.857 0.453 -5.491 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mix 1
. 3 . 772 . 1 1 13 LYS HE2 H 8.345 3.308 -4.639 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mix 1
. 3 . 773 . 1 1 13 LYS HE3 H 8.328 2.745 -6.309 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mix 1
. 3 . 774 . 1 1 13 LYS HG2 H 8.173 -0.100 -3.182 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mix 1
. 3 . 775 . 1 1 13 LYS HG3 H 6.863 1.077 -3.313 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mix 1
. 3 . 776 . 1 1 13 LYS HZ1 H 6.044 2.647 -4.415 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mix 1
. 3 . 777 . 1 1 13 LYS HZ2 H 6.022 2.049 -5.994 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . rr_2mix 1
. 3 . 778 . 1 1 13 LYS HZ3 H 6.211 3.706 -5.719 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mix 1
. 3 . 779 . 1 1 13 LYS N N 9.125 -0.084 -1.029 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mix 1
. 3 . 780 . 1 1 13 LYS NZ N 6.449 2.757 -5.363 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mix 1
. 3 . 781 . 1 1 13 LYS O O 6.631 0.629 -0.138 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mix 1
. 3 . 782 . 1 1 14 ASP C C 4.950 3.455 -0.474 . . . 1.0 . . . . . . . . . . . . A . 14 ASP C . . . . . . . . . rr_2mix 1
. 3 . 783 . 1 1 14 ASP CA C 5.947 3.209 0.645 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CA . . . . . . . . . rr_2mix 1
. 3 . 784 . 1 1 14 ASP CB C 6.136 4.471 1.486 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CB . . . . . . . . . rr_2mix 1
. 3 . 785 . 1 1 14 ASP CG C 4.879 4.873 2.227 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CG . . . . . . . . . rr_2mix 1
. 3 . 786 . 1 1 14 ASP H H 7.914 3.467 -0.061 . . . 1.0 . . . . . . . . . . . . A . 14 ASP H . . . . . . . . . rr_2mix 1
. 3 . 787 . 1 1 14 ASP HA H 5.587 2.408 1.272 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HA . . . . . . . . . rr_2mix 1
. 3 . 788 . 1 1 14 ASP HB2 H 6.918 4.300 2.210 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB2 . . . . . . . . . rr_2mix 1
. 3 . 789 . 1 1 14 ASP HB3 H 6.425 5.286 0.838 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB3 . . . . . . . . . rr_2mix 1
. 3 . 790 . 1 1 14 ASP N N 7.206 2.797 0.060 . . . 1.0 . . . . . . . . . . . . A . 14 ASP N . . . . . . . . . rr_2mix 1
. 3 . 791 . 1 1 14 ASP O O 5.145 4.337 -1.312 . . . 1.0 . . . . . . . . . . . . A . 14 ASP O . . . . . . . . . rr_2mix 1
. 3 . 792 . 1 1 14 ASP OD1 O 4.682 4.406 3.368 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD1 . . . . . . . . . rr_2mix 1
. 3 . 793 . 1 1 14 ASP OD2 O 4.094 5.674 1.683 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD2 . . . . . . . . . rr_2mix 1
. 3 . 794 . 1 1 15 VAL C C 1.591 3.087 -1.097 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . rr_2mix 1
. 3 . 795 . 1 1 15 VAL CA C 2.958 2.662 -1.589 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . rr_2mix 1
. 3 . 796 . 1 1 15 VAL CB C 2.853 1.265 -2.241 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . rr_2mix 1
. 3 . 797 . 1 1 15 VAL CG1 C 1.888 1.280 -3.417 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . rr_2mix 1
. 3 . 798 . 1 1 15 VAL CG2 C 4.222 0.770 -2.682 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . rr_2mix 1
. 3 . 799 . 1 1 15 VAL H H 3.724 2.081 0.269 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . rr_2mix 1
. 3 . 800 . 1 1 15 VAL HA H 3.302 3.365 -2.333 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . rr_2mix 1
. 3 . 801 . 1 1 15 VAL HB H 2.472 0.578 -1.501 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . rr_2mix 1
. 3 . 802 . 1 1 15 VAL HG11 H 2.238 1.979 -4.163 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . rr_2mix 1
. 3 . 803 . 1 1 15 VAL HG12 H 0.907 1.579 -3.076 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . rr_2mix 1
. 3 . 804 . 1 1 15 VAL HG13 H 1.832 0.292 -3.849 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . rr_2mix 1
. 3 . 805 . 1 1 15 VAL HG21 H 4.126 -0.216 -3.112 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . rr_2mix 1
. 3 . 806 . 1 1 15 VAL HG22 H 4.884 0.730 -1.828 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . rr_2mix 1
. 3 . 807 . 1 1 15 VAL HG23 H 4.629 1.446 -3.420 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . rr_2mix 1
. 3 . 808 . 1 1 15 VAL N N 3.897 2.663 -0.496 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . rr_2mix 1
. 3 . 809 . 1 1 15 VAL O O 1.001 2.454 -0.223 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . rr_2mix 1
. 3 . 810 . 1 1 16 CYS C C -1.202 4.078 -2.357 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_2mix 1
. 3 . 811 . 1 1 16 CYS CA C -0.231 4.635 -1.328 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_2mix 1
. 3 . 812 . 1 1 16 CYS CB C -0.304 6.157 -1.305 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_2mix 1
. 3 . 813 . 1 1 16 CYS H H 1.693 4.711 -2.214 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_2mix 1
. 3 . 814 . 1 1 16 CYS HA H -0.503 4.251 -0.358 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_2mix 1
. 3 . 815 . 1 1 16 CYS HB2 H -0.334 6.515 -2.313 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_2mix 1
. 3 . 816 . 1 1 16 CYS HB3 H -1.210 6.455 -0.799 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_2mix 1
. 3 . 817 . 1 1 16 CYS N N 1.115 4.182 -1.627 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_2mix 1
. 3 . 818 . 1 1 16 CYS O O -0.862 3.943 -3.537 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_2mix 1
. 3 . 819 . 1 1 16 CYS SG S 1.095 6.964 -0.455 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_2mix 1
. 3 . 820 . 1 1 17 SER C C -4.724 2.993 -1.988 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . rr_2mix 1
. 3 . 821 . 1 1 17 SER CA C -3.396 3.098 -2.736 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . rr_2mix 1
. 3 . 822 . 1 1 17 SER CB C -2.898 1.697 -3.122 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . rr_2mix 1
. 3 . 823 . 1 1 17 SER H H -2.634 3.997 -0.978 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . rr_2mix 1
. 3 . 824 . 1 1 17 SER HA H -3.537 3.687 -3.630 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . rr_2mix 1
. 3 . 825 . 1 1 17 SER HB2 H -1.884 1.767 -3.485 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . rr_2mix 1
. 3 . 826 . 1 1 17 SER HB3 H -2.924 1.057 -2.252 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . rr_2mix 1
. 3 . 827 . 1 1 17 SER HG H -4.065 0.279 -3.820 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . rr_2mix 1
. 3 . 828 . 1 1 17 SER N N -2.403 3.761 -1.903 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . rr_2mix 1
. 3 . 829 . 1 1 17 SER O O -4.752 2.979 -0.754 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . rr_2mix 1
. 3 . 830 . 1 1 17 SER OG O -3.702 1.118 -4.136 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . rr_2mix 1
. 3 . 831 . 1 1 18 GLN C C -7.547 1.310 -2.107 . . . 1.0 . . . . . . . . . . . . A . 18 GLN C . . . . . . . . . rr_2mix 1
. 3 . 832 . 1 1 18 GLN CA C -7.138 2.780 -2.128 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CA . . . . . . . . . rr_2mix 1
. 3 . 833 . 1 1 18 GLN CB C -8.168 3.628 -2.875 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CB . . . . . . . . . rr_2mix 1
. 3 . 834 . 1 1 18 GLN CD C -8.912 5.963 -3.520 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CD . . . . . . . . . rr_2mix 1
. 3 . 835 . 1 1 18 GLN CG C -7.905 5.116 -2.764 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CG . . . . . . . . . rr_2mix 1
. 3 . 836 . 1 1 18 GLN H H -5.742 2.963 -3.709 . . . 1.0 . . . . . . . . . . . . A . 18 GLN H . . . . . . . . . rr_2mix 1
. 3 . 837 . 1 1 18 GLN HA H -7.070 3.130 -1.106 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HA . . . . . . . . . rr_2mix 1
. 3 . 838 . 1 1 18 GLN HB2 H -8.163 3.355 -3.920 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB2 . . . . . . . . . rr_2mix 1
. 3 . 839 . 1 1 18 GLN HB3 H -9.143 3.434 -2.462 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB3 . . . . . . . . . rr_2mix 1
. 3 . 840 . 1 1 18 GLN HE21 H -9.144 4.543 -4.889 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE21 . . . . . . . . . rr_2mix 1
. 3 . 841 . 1 1 18 GLN HE22 H -10.091 5.970 -5.117 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE22 . . . . . . . . . rr_2mix 1
. 3 . 842 . 1 1 18 GLN HG2 H -7.951 5.384 -1.723 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG2 . . . . . . . . . rr_2mix 1
. 3 . 843 . 1 1 18 GLN HG3 H -6.917 5.325 -3.147 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG3 . . . . . . . . . rr_2mix 1
. 3 . 844 . 1 1 18 GLN N N -5.822 2.925 -2.729 . . . 1.0 . . . . . . . . . . . . A . 18 GLN N . . . . . . . . . rr_2mix 1
. 3 . 845 . 1 1 18 GLN NE2 N -9.432 5.441 -4.619 . . . 1.0 . . . . . . . . . . . . A . 18 GLN NE2 . . . . . . . . . rr_2mix 1
. 3 . 846 . 1 1 18 GLN O O -8.329 0.849 -2.935 . . . 1.0 . . . . . . . . . . . . A . 18 GLN O . . . . . . . . . rr_2mix 1
. 3 . 847 . 1 1 18 GLN OE1 O -9.213 7.087 -3.120 . . . 1.0 . . . . . . . . . . . . A . 18 GLN OE1 . . . . . . . . . rr_2mix 1
. 3 . 848 . 1 1 19 SER C C -8.519 -1.169 -0.290 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_2mix 1
. 3 . 849 . 1 1 19 SER CA C -7.199 -0.841 -1.002 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_2mix 1
. 3 . 850 . 1 1 19 SER CB C -6.026 -1.386 -0.216 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_2mix 1
. 3 . 851 . 1 1 19 SER H H -6.427 1.052 -0.487 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_2mix 1
. 3 . 852 . 1 1 19 SER HA H -7.198 -1.298 -1.983 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_2mix 1
. 3 . 853 . 1 1 19 SER HB2 H -6.133 -1.101 0.814 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_2mix 1
. 3 . 854 . 1 1 19 SER HB3 H -6.005 -2.457 -0.291 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_2mix 1
. 3 . 855 . 1 1 19 SER HG H -4.376 -0.346 -0.011 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_2mix 1
. 3 . 856 . 1 1 19 SER N N -7.002 0.595 -1.138 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_2mix 1
. 3 . 857 . 1 1 19 SER O O -9.361 -1.891 -0.824 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_2mix 1
. 3 . 858 . 1 1 19 SER OG O -4.799 -0.868 -0.708 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_2mix 1
. 3 . 859 . 1 1 20 CYS C C -11.016 0.128 1.352 . . . 1.0 . . . . . . . . . . . . A . 20 CYS C . . . . . . . . . rr_2mix 1
. 3 . 860 . 1 1 20 CYS CA C -9.914 -0.868 1.703 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CA . . . . . . . . . rr_2mix 1
. 3 . 861 . 1 1 20 CYS CB C -9.616 -0.805 3.208 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CB . . . . . . . . . rr_2mix 1
. 3 . 862 . 1 1 20 CYS H H -8.022 -0.015 1.264 . . . 1.0 . . . . . . . . . . . . A . 20 CYS H . . . . . . . . . rr_2mix 1
. 3 . 863 . 1 1 20 CYS HA H -10.258 -1.859 1.461 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HA . . . . . . . . . rr_2mix 1
. 3 . 864 . 1 1 20 CYS HB2 H -9.002 0.059 3.406 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB2 . . . . . . . . . rr_2mix 1
. 3 . 865 . 1 1 20 CYS HB3 H -10.547 -0.706 3.746 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB3 . . . . . . . . . rr_2mix 1
. 3 . 866 . 1 1 20 CYS N N -8.705 -0.618 0.910 . . . 1.0 . . . . . . . . . . . . A . 20 CYS N . . . . . . . . . rr_2mix 1
. 3 . 867 . 1 1 20 CYS O O -11.810 0.529 2.209 . . . 1.0 . . . . . . . . . . . . A . 20 CYS O . . . . . . . . . rr_2mix 1
. 3 . 868 . 1 1 20 CYS SG S -8.743 -2.268 3.875 . . . 1.0 . . . . . . . . . . . . A . 20 CYS SG . . . . . . . . . rr_2mix 1
. 3 . 869 . 1 1 21 CYS C C -12.754 0.930 -1.592 . . . 1.0 . . . . . . . . . . . . A . 21 CYS C . . . . . . . . . rr_2mix 1
. 3 . 870 . 1 1 21 CYS CA C -12.041 1.495 -0.369 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CA . . . . . . . . . rr_2mix 1
. 3 . 871 . 1 1 21 CYS CB C -11.376 2.835 -0.711 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CB . . . . . . . . . rr_2mix 1
. 3 . 872 . 1 1 21 CYS H H -10.397 0.189 -0.542 . . . 1.0 . . . . . . . . . . . . A . 21 CYS H . . . . . . . . . rr_2mix 1
. 3 . 873 . 1 1 21 CYS HA H -12.762 1.645 0.422 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HA . . . . . . . . . rr_2mix 1
. 3 . 874 . 1 1 21 CYS HB2 H -10.692 2.686 -1.531 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB2 . . . . . . . . . rr_2mix 1
. 3 . 875 . 1 1 21 CYS HB3 H -12.140 3.539 -1.012 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB3 . . . . . . . . . rr_2mix 1
. 3 . 876 . 1 1 21 CYS N N -11.050 0.543 0.097 . . . 1.0 . . . . . . . . . . . . A . 21 CYS N . . . . . . . . . rr_2mix 1
. 3 . 877 . 1 1 21 CYS O O -12.471 1.389 -2.717 . . . 1.0 . . . . . . . . . . . . A . 21 CYS O . . . . . . . . . rr_2mix 1
. 3 . 878 . 1 1 21 CYS OXT O -13.564 -0.007 -1.428 . . . 1.0 . . . . . . . . . . . . A . 21 CYS OXT . . . . . . . . . rr_2mix 1
. 3 . 879 . 1 1 21 CYS SG S -10.433 3.595 0.661 . . . 1.0 . . . . . . . . . . . . A . 21 CYS SG . . . . . . . . . rr_2mix 1
. 4 . 880 . 1 1 1 THR C C -0.759 -4.572 -0.904 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . rr_2mix 1
. 4 . 881 . 1 1 1 THR CA C 0.033 -5.797 -0.435 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . rr_2mix 1
. 4 . 882 . 1 1 1 THR CB C 0.177 -6.798 -1.597 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . rr_2mix 1
. 4 . 883 . 1 1 1 THR CG2 C 1.114 -6.260 -2.671 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . rr_2mix 1
. 4 . 884 . 1 1 1 THR H1 H -0.070 -7.272 1.022 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . rr_2mix 1
. 4 . 885 . 1 1 1 THR H2 H -1.578 -6.745 0.475 . . . 1.0 . . . . . . . . . . . . A . 1 THR H2 . . . . . . . . . rr_2mix 1
. 4 . 886 . 1 1 1 THR H3 H -0.673 -5.777 1.519 . . . 1.0 . . . . . . . . . . . . A . 1 THR H3 . . . . . . . . . rr_2mix 1
. 4 . 887 . 1 1 1 THR HA H 1.022 -5.478 -0.136 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . rr_2mix 1
. 4 . 888 . 1 1 1 THR HB H -0.796 -6.966 -2.036 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . rr_2mix 1
. 4 . 889 . 1 1 1 THR HG1 H 1.652 -7.974 -0.995 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . rr_2mix 1
. 4 . 890 . 1 1 1 THR HG21 H 0.727 -5.326 -3.051 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . rr_2mix 1
. 4 . 891 . 1 1 1 THR HG22 H 1.184 -6.975 -3.478 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . rr_2mix 1
. 4 . 892 . 1 1 1 THR HG23 H 2.093 -6.098 -2.247 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . rr_2mix 1
. 4 . 893 . 1 1 1 THR N N -0.618 -6.441 0.724 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . rr_2mix 1
. 4 . 894 . 1 1 1 THR O O -0.188 -3.621 -1.427 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . rr_2mix 1
. 4 . 895 . 1 1 1 THR OG1 O 0.691 -8.039 -1.096 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . rr_2mix 1
. 4 . 896 . 1 1 2 ARG C C -3.449 -2.813 0.223 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2mix 1
. 4 . 897 . 1 1 2 ARG CA C -2.961 -3.510 -1.066 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2mix 1
. 4 . 898 . 1 1 2 ARG CB C -4.104 -4.113 -1.898 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2mix 1
. 4 . 899 . 1 1 2 ARG CD C -6.398 -4.063 -2.785 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2mix 1
. 4 . 900 . 1 1 2 ARG CG C -5.288 -3.227 -2.200 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2mix 1
. 4 . 901 . 1 1 2 ARG CZ C -7.860 -4.076 -4.771 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2mix 1
. 4 . 902 . 1 1 2 ARG H H -2.493 -5.438 -0.394 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2mix 1
. 4 . 903 . 1 1 2 ARG HA H -2.411 -2.804 -1.667 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2mix 1
. 4 . 904 . 1 1 2 ARG HB2 H -3.699 -4.438 -2.842 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2mix 1
. 4 . 905 . 1 1 2 ARG HB3 H -4.475 -4.976 -1.379 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2mix 1
. 4 . 906 . 1 1 2 ARG HD2 H -6.050 -5.086 -2.816 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2mix 1
. 4 . 907 . 1 1 2 ARG HD3 H -7.263 -3.997 -2.138 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2mix 1
. 4 . 908 . 1 1 2 ARG HE H -6.184 -2.991 -4.588 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2mix 1
. 4 . 909 . 1 1 2 ARG HG2 H -5.628 -2.778 -1.287 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2mix 1
. 4 . 910 . 1 1 2 ARG HG3 H -5.012 -2.468 -2.894 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2mix 1
. 4 . 911 . 1 1 2 ARG HH11 H -8.466 -5.288 -3.263 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2mix 1
. 4 . 912 . 1 1 2 ARG HH12 H -9.483 -5.288 -4.669 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2mix 1
. 4 . 913 . 1 1 2 ARG HH21 H -7.525 -2.979 -6.442 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2mix 1
. 4 . 914 . 1 1 2 ARG HH22 H -8.958 -3.960 -6.473 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2mix 1
. 4 . 915 . 1 1 2 ARG N N -2.076 -4.613 -0.726 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2mix 1
. 4 . 916 . 1 1 2 ARG NE N -6.775 -3.639 -4.134 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2mix 1
. 4 . 917 . 1 1 2 ARG NH1 N -8.668 -4.953 -4.187 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2mix 1
. 4 . 918 . 1 1 2 ARG NH2 N -8.136 -3.639 -5.994 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2mix 1
. 4 . 919 . 1 1 2 ARG O O -4.473 -2.153 0.236 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2mix 1
. 4 . 920 . 1 1 3 ILE C C -3.980 -1.431 2.807 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_2mix 1
. 4 . 921 . 1 1 3 ILE CA C -3.025 -2.617 2.673 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_2mix 1
. 4 . 922 . 1 1 3 ILE CB C -1.788 -2.348 3.561 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_2mix 1
. 4 . 923 . 1 1 3 ILE CD1 C 0.514 -3.246 4.179 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_2mix 1
. 4 . 924 . 1 1 3 ILE CG1 C -0.798 -3.500 3.467 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_2mix 1
. 4 . 925 . 1 1 3 ILE CG2 C -2.206 -2.151 5.006 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_2mix 1
. 4 . 926 . 1 1 3 ILE H H -1.747 -3.283 1.129 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_2mix 1
. 4 . 927 . 1 1 3 ILE HA H -3.517 -3.475 3.070 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_2mix 1
. 4 . 928 . 1 1 3 ILE HB H -1.314 -1.442 3.220 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_2mix 1
. 4 . 929 . 1 1 3 ILE HD11 H 1.087 -4.160 4.214 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_2mix 1
. 4 . 930 . 1 1 3 ILE HD12 H 0.320 -2.902 5.183 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_2mix 1
. 4 . 931 . 1 1 3 ILE HD13 H 1.075 -2.493 3.641 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_2mix 1
. 4 . 932 . 1 1 3 ILE HG12 H -1.241 -4.387 3.893 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_2mix 1
. 4 . 933 . 1 1 3 ILE HG13 H -0.582 -3.675 2.437 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_2mix 1
. 4 . 934 . 1 1 3 ILE HG21 H -2.706 -3.040 5.356 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_2mix 1
. 4 . 935 . 1 1 3 ILE HG22 H -2.876 -1.307 5.076 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_2mix 1
. 4 . 936 . 1 1 3 ILE HG23 H -1.329 -1.969 5.608 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_2mix 1
. 4 . 937 . 1 1 3 ILE N N -2.641 -2.948 1.285 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_2mix 1
. 4 . 938 . 1 1 3 ILE O O -3.572 -0.269 2.845 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_2mix 1
. 4 . 939 . 1 1 4 CYS C C -6.235 0.417 2.308 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2mix 1
. 4 . 940 . 1 1 4 CYS CA C -6.352 -0.842 3.175 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2mix 1
. 4 . 941 . 1 1 4 CYS CB C -6.449 -0.459 4.649 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2mix 1
. 4 . 942 . 1 1 4 CYS H H -5.448 -2.745 2.916 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2mix 1
. 4 . 943 . 1 1 4 CYS HA H -7.262 -1.352 2.904 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2mix 1
. 4 . 944 . 1 1 4 CYS HB2 H -5.717 -1.020 5.213 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2mix 1
. 4 . 945 . 1 1 4 CYS HB3 H -6.247 0.598 4.752 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2mix 1
. 4 . 946 . 1 1 4 CYS N N -5.247 -1.786 2.960 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2mix 1
. 4 . 947 . 1 1 4 CYS O O -5.680 0.388 1.212 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2mix 1
. 4 . 948 . 1 1 4 CYS SG S -8.091 -0.785 5.378 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2mix 1
. 4 . 949 . 1 1 5 CYS C C -5.609 3.634 2.853 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_2mix 1
. 4 . 950 . 1 1 5 CYS CA C -6.633 2.792 2.113 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_2mix 1
. 4 . 951 . 1 1 5 CYS CB C -7.955 3.534 2.020 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_2mix 1
. 4 . 952 . 1 1 5 CYS H H -7.398 1.452 3.562 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_2mix 1
. 4 . 953 . 1 1 5 CYS HA H -6.271 2.602 1.120 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_2mix 1
. 4 . 954 . 1 1 5 CYS HB2 H -8.388 3.583 3.000 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_2mix 1
. 4 . 955 . 1 1 5 CYS HB3 H -7.780 4.534 1.652 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_2mix 1
. 4 . 956 . 1 1 5 CYS N N -6.813 1.510 2.773 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_2mix 1
. 4 . 957 . 1 1 5 CYS O O -5.557 3.636 4.085 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_2mix 1
. 4 . 958 . 1 1 5 CYS SG S -9.162 2.734 0.921 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_2mix 1
. 4 . 959 . 1 1 6 GLY C C -2.405 4.849 2.063 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . rr_2mix 1
. 4 . 960 . 1 1 6 GLY CA C -3.745 5.148 2.680 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . rr_2mix 1
. 4 . 961 . 1 1 6 GLY H H -4.824 4.233 1.114 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . rr_2mix 1
. 4 . 962 . 1 1 6 GLY HA2 H -3.993 6.187 2.515 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . rr_2mix 1
. 4 . 963 . 1 1 6 GLY HA3 H -3.697 4.957 3.740 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . rr_2mix 1
. 4 . 964 . 1 1 6 GLY N N -4.770 4.317 2.095 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . rr_2mix 1
. 4 . 965 . 1 1 6 GLY O O -2.318 4.616 0.856 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . rr_2mix 1
. 4 . 966 . 1 1 7 CYS C C 0.637 3.529 3.334 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_2mix 1
. 4 . 967 . 1 1 7 CYS CA C -0.052 4.477 2.367 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_2mix 1
. 4 . 968 . 1 1 7 CYS CB C 0.797 5.722 2.121 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_2mix 1
. 4 . 969 . 1 1 7 CYS H H -1.474 5.059 3.816 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_2mix 1
. 4 . 970 . 1 1 7 CYS HA H -0.193 3.965 1.431 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_2mix 1
. 4 . 971 . 1 1 7 CYS HB2 H 0.161 6.526 1.782 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_2mix 1
. 4 . 972 . 1 1 7 CYS HB3 H 1.278 6.009 3.043 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_2mix 1
. 4 . 973 . 1 1 7 CYS N N -1.362 4.832 2.868 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_2mix 1
. 4 . 974 . 1 1 7 CYS O O 0.578 3.707 4.550 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_2mix 1
. 4 . 975 . 1 1 7 CYS SG S 2.099 5.475 0.870 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_2mix 1
. 4 . 976 . 1 1 8 TYR C C 3.232 1.096 2.975 . . . 1.0 . . . . . . . . . . . . A . 8 TYR C . . . . . . . . . rr_2mix 1
. 4 . 977 . 1 1 8 TYR CA C 1.876 1.449 3.558 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CA . . . . . . . . . rr_2mix 1
. 4 . 978 . 1 1 8 TYR CB C 0.978 0.218 3.555 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CB . . . . . . . . . rr_2mix 1
. 4 . 979 . 1 1 8 TYR CD1 C 1.318 -0.773 1.253 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD1 . . . . . . . . . rr_2mix 1
. 4 . 980 . 1 1 8 TYR CD2 C -0.823 0.111 1.797 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD2 . . . . . . . . . rr_2mix 1
. 4 . 981 . 1 1 8 TYR CE1 C 0.866 -1.101 -0.008 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE1 . . . . . . . . . rr_2mix 1
. 4 . 982 . 1 1 8 TYR CE2 C -1.281 -0.211 0.540 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE2 . . . . . . . . . rr_2mix 1
. 4 . 983 . 1 1 8 TYR CG C 0.482 -0.161 2.177 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CG . . . . . . . . . rr_2mix 1
. 4 . 984 . 1 1 8 TYR CZ C -0.434 -0.815 -0.361 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CZ . . . . . . . . . rr_2mix 1
. 4 . 985 . 1 1 8 TYR H H 1.300 2.445 1.802 . . . 1.0 . . . . . . . . . . . . A . 8 TYR H . . . . . . . . . rr_2mix 1
. 4 . 986 . 1 1 8 TYR HA H 2.001 1.800 4.571 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HA . . . . . . . . . rr_2mix 1
. 4 . 987 . 1 1 8 TYR HB2 H 1.536 -0.613 3.942 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB2 . . . . . . . . . rr_2mix 1
. 4 . 988 . 1 1 8 TYR HB3 H 0.120 0.398 4.183 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB3 . . . . . . . . . rr_2mix 1
. 4 . 989 . 1 1 8 TYR HD1 H 2.337 -0.996 1.534 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD1 . . . . . . . . . rr_2mix 1
. 4 . 990 . 1 1 8 TYR HD2 H -1.491 0.579 2.506 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD2 . . . . . . . . . rr_2mix 1
. 4 . 991 . 1 1 8 TYR HE1 H 1.530 -1.578 -0.713 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE1 . . . . . . . . . rr_2mix 1
. 4 . 992 . 1 1 8 TYR HE2 H -2.305 -0.001 0.270 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE2 . . . . . . . . . rr_2mix 1
. 4 . 993 . 1 1 8 TYR HH H -0.609 -2.034 -1.838 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HH . . . . . . . . . rr_2mix 1
. 4 . 994 . 1 1 8 TYR N N 1.257 2.503 2.780 . . . 1.0 . . . . . . . . . . . . A . 8 TYR N . . . . . . . . . rr_2mix 1
. 4 . 995 . 1 1 8 TYR O O 3.513 1.406 1.820 . . . 1.0 . . . . . . . . . . . . A . 8 TYR O . . . . . . . . . rr_2mix 1
. 4 . 996 . 1 1 8 TYR OH O -0.883 -1.130 -1.623 . . . 1.0 . . . . . . . . . . . . A . 8 TYR OH . . . . . . . . . rr_2mix 1
. 4 . 997 . 1 1 9 TRP C C 5.346 -1.370 2.777 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_2mix 1
. 4 . 998 . 1 1 9 TRP CA C 5.381 0.062 3.287 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_2mix 1
. 4 . 999 . 1 1 9 TRP CB C 6.436 0.200 4.387 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_2mix 1
. 4 . 1000 . 1 1 9 TRP CD1 C 8.388 -1.372 3.883 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_2mix 1
. 4 . 1001 . 1 1 9 TRP CD2 C 8.781 0.766 3.360 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_2mix 1
. 4 . 1002 . 1 1 9 TRP CE2 C 9.914 0.005 3.024 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_2mix 1
. 4 . 1003 . 1 1 9 TRP CE3 C 8.800 2.142 3.121 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_2mix 1
. 4 . 1004 . 1 1 9 TRP CG C 7.812 -0.138 3.903 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_2mix 1
. 4 . 1005 . 1 1 9 TRP CH2 C 11.042 1.922 2.243 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_2mix 1
. 4 . 1006 . 1 1 9 TRP CZ2 C 11.053 0.573 2.463 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_2mix 1
. 4 . 1007 . 1 1 9 TRP CZ3 C 9.930 2.704 2.567 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_2mix 1
. 4 . 1008 . 1 1 9 TRP H H 3.785 0.199 4.666 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_2mix 1
. 4 . 1009 . 1 1 9 TRP HA H 5.643 0.714 2.466 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_2mix 1
. 4 . 1010 . 1 1 9 TRP HB2 H 6.447 1.216 4.745 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_2mix 1
. 4 . 1011 . 1 1 9 TRP HB3 H 6.192 -0.466 5.200 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_2mix 1
. 4 . 1012 . 1 1 9 TRP HD1 H 7.903 -2.271 4.230 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_2mix 1
. 4 . 1013 . 1 1 9 TRP HE1 H 10.256 -2.060 3.214 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_2mix 1
. 4 . 1014 . 1 1 9 TRP HE3 H 7.954 2.763 3.364 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_2mix 1
. 4 . 1015 . 1 1 9 TRP HH2 H 11.901 2.407 1.812 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_2mix 1
. 4 . 1016 . 1 1 9 TRP HZ2 H 11.919 -0.019 2.203 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_2mix 1
. 4 . 1017 . 1 1 9 TRP HZ3 H 9.962 3.765 2.377 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_2mix 1
. 4 . 1018 . 1 1 9 TRP N N 4.069 0.452 3.761 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_2mix 1
. 4 . 1019 . 1 1 9 TRP NE1 N 9.645 -1.297 3.347 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_2mix 1
. 4 . 1020 . 1 1 9 TRP O O 5.405 -2.322 3.558 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_2mix 1
. 4 . 1021 . 1 1 10 ASN C C 6.648 -3.186 0.380 . . . 1.0 . . . . . . . . . . . . A . 10 ASN C . . . . . . . . . rr_2mix 1
. 4 . 1022 . 1 1 10 ASN CA C 5.247 -2.848 0.877 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CA . . . . . . . . . rr_2mix 1
. 4 . 1023 . 1 1 10 ASN CB C 4.247 -2.937 -0.279 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CB . . . . . . . . . rr_2mix 1
. 4 . 1024 . 1 1 10 ASN CG C 4.047 -4.363 -0.764 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CG . . . . . . . . . rr_2mix 1
. 4 . 1025 . 1 1 10 ASN H H 5.126 -0.738 0.901 . . . 1.0 . . . . . . . . . . . . A . 10 ASN H . . . . . . . . . rr_2mix 1
. 4 . 1026 . 1 1 10 ASN HA H 4.968 -3.559 1.641 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HA . . . . . . . . . rr_2mix 1
. 4 . 1027 . 1 1 10 ASN HB2 H 3.293 -2.551 0.048 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB2 . . . . . . . . . rr_2mix 1
. 4 . 1028 . 1 1 10 ASN HB3 H 4.607 -2.342 -1.105 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB3 . . . . . . . . . rr_2mix 1
. 4 . 1029 . 1 1 10 ASN HD21 H 5.568 -4.183 -2.033 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD21 . . . . . . . . . rr_2mix 1
. 4 . 1030 . 1 1 10 ASN HD22 H 4.767 -5.720 -2.025 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD22 . . . . . . . . . rr_2mix 1
. 4 . 1031 . 1 1 10 ASN N N 5.229 -1.525 1.473 . . . 1.0 . . . . . . . . . . . . A . 10 ASN N . . . . . . . . . rr_2mix 1
. 4 . 1032 . 1 1 10 ASN ND2 N 4.874 -4.798 -1.702 . . . 1.0 . . . . . . . . . . . . A . 10 ASN ND2 . . . . . . . . . rr_2mix 1
. 4 . 1033 . 1 1 10 ASN O O 6.995 -2.903 -0.767 . . . 1.0 . . . . . . . . . . . . A . 10 ASN O . . . . . . . . . rr_2mix 1
. 4 . 1034 . 1 1 10 ASN OD1 O 3.157 -5.069 -0.292 . . . 1.0 . . . . . . . . . . . . A . 10 ASN OD1 . . . . . . . . . rr_2mix 1
. 4 . 1035 . 1 1 11 GLY C C 9.778 -3.247 0.523 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2mix 1
. 4 . 1036 . 1 1 11 GLY CA C 8.747 -4.300 0.889 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2mix 1
. 4 . 1037 . 1 1 11 GLY H H 7.149 -3.844 2.195 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2mix 1
. 4 . 1038 . 1 1 11 GLY HA2 H 9.133 -4.878 1.713 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2mix 1
. 4 . 1039 . 1 1 11 GLY HA3 H 8.617 -4.956 0.047 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2mix 1
. 4 . 1040 . 1 1 11 GLY N N 7.447 -3.771 1.264 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2mix 1
. 4 . 1041 . 1 1 11 GLY O O 10.627 -2.895 1.339 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2mix 1
. 4 . 1042 . 1 1 12 SER C C 10.482 -0.415 -0.994 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . rr_2mix 1
. 4 . 1043 . 1 1 12 SER CA C 10.759 -1.899 -1.241 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . rr_2mix 1
. 4 . 1044 . 1 1 12 SER CB C 10.919 -2.172 -2.740 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . rr_2mix 1
. 4 . 1045 . 1 1 12 SER H H 8.935 -2.977 -1.266 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . rr_2mix 1
. 4 . 1046 . 1 1 12 SER HA H 11.681 -2.161 -0.743 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . rr_2mix 1
. 4 . 1047 . 1 1 12 SER HB2 H 11.099 -3.226 -2.892 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . rr_2mix 1
. 4 . 1048 . 1 1 12 SER HB3 H 10.013 -1.886 -3.252 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . rr_2mix 1
. 4 . 1049 . 1 1 12 SER HG H 12.571 -1.117 -2.579 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . rr_2mix 1
. 4 . 1050 . 1 1 12 SER N N 9.712 -2.755 -0.705 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . rr_2mix 1
. 4 . 1051 . 1 1 12 SER O O 11.405 0.349 -0.709 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . rr_2mix 1
. 4 . 1052 . 1 1 12 SER OG O 12.005 -1.444 -3.293 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . rr_2mix 1
. 4 . 1053 . 1 1 13 LYS C C 7.496 1.587 -0.377 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mix 1
. 4 . 1054 . 1 1 13 LYS CA C 8.882 1.409 -0.962 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mix 1
. 4 . 1055 . 1 1 13 LYS CB C 8.976 2.137 -2.313 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mix 1
. 4 . 1056 . 1 1 13 LYS CD C 6.906 1.841 -3.693 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mix 1
. 4 . 1057 . 1 1 13 LYS CE C 6.822 3.254 -4.256 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mix 1
. 4 . 1058 . 1 1 13 LYS CG C 8.333 1.398 -3.478 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mix 1
. 4 . 1059 . 1 1 13 LYS H H 8.514 -0.656 -1.273 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mix 1
. 4 . 1060 . 1 1 13 LYS HA H 9.596 1.851 -0.282 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mix 1
. 4 . 1061 . 1 1 13 LYS HB2 H 8.475 3.093 -2.219 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mix 1
. 4 . 1062 . 1 1 13 LYS HB3 H 10.011 2.306 -2.549 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mix 1
. 4 . 1063 . 1 1 13 LYS HD2 H 6.424 1.160 -4.378 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mix 1
. 4 . 1064 . 1 1 13 LYS HD3 H 6.409 1.811 -2.743 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mix 1
. 4 . 1065 . 1 1 13 LYS HE2 H 7.362 3.921 -3.602 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mix 1
. 4 . 1066 . 1 1 13 LYS HE3 H 7.277 3.265 -5.235 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mix 1
. 4 . 1067 . 1 1 13 LYS HG2 H 8.899 1.585 -4.377 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mix 1
. 4 . 1068 . 1 1 13 LYS HG3 H 8.334 0.344 -3.260 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mix 1
. 4 . 1069 . 1 1 13 LYS HZ1 H 5.382 4.638 -4.864 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mix 1
. 4 . 1070 . 1 1 13 LYS HZ2 H 5.002 3.847 -3.420 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . rr_2mix 1
. 4 . 1071 . 1 1 13 LYS HZ3 H 4.846 3.035 -4.896 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mix 1
. 4 . 1072 . 1 1 13 LYS N N 9.226 -0.002 -1.104 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mix 1
. 4 . 1073 . 1 1 13 LYS NZ N 5.416 3.724 -4.368 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mix 1
. 4 . 1074 . 1 1 13 LYS O O 6.722 0.634 -0.273 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mix 1
. 4 . 1075 . 1 1 14 ASP C C 4.917 3.186 -0.690 . . . 1.0 . . . . . . . . . . . . A . 14 ASP C . . . . . . . . . rr_2mix 1
. 4 . 1076 . 1 1 14 ASP CA C 5.884 3.183 0.483 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CA . . . . . . . . . rr_2mix 1
. 4 . 1077 . 1 1 14 ASP CB C 5.911 4.554 1.179 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CB . . . . . . . . . rr_2mix 1
. 4 . 1078 . 1 1 14 ASP CG C 6.547 5.640 0.330 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CG . . . . . . . . . rr_2mix 1
. 4 . 1079 . 1 1 14 ASP H H 7.904 3.504 -0.008 . . . 1.0 . . . . . . . . . . . . A . 14 ASP H . . . . . . . . . rr_2mix 1
. 4 . 1080 . 1 1 14 ASP HA H 5.563 2.434 1.194 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HA . . . . . . . . . rr_2mix 1
. 4 . 1081 . 1 1 14 ASP HB2 H 4.898 4.853 1.406 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB2 . . . . . . . . . rr_2mix 1
. 4 . 1082 . 1 1 14 ASP HB3 H 6.470 4.469 2.099 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB3 . . . . . . . . . rr_2mix 1
. 4 . 1083 . 1 1 14 ASP N N 7.205 2.815 0.019 . . . 1.0 . . . . . . . . . . . . A . 14 ASP N . . . . . . . . . rr_2mix 1
. 4 . 1084 . 1 1 14 ASP O O 5.069 3.950 -1.642 . . . 1.0 . . . . . . . . . . . . A . 14 ASP O . . . . . . . . . rr_2mix 1
. 4 . 1085 . 1 1 14 ASP OD1 O 7.765 5.572 0.067 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD1 . . . . . . . . . rr_2mix 1
. 4 . 1086 . 1 1 14 ASP OD2 O 5.819 6.563 -0.100 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD2 . . . . . . . . . rr_2mix 1
. 4 . 1087 . 1 1 15 VAL C C 1.625 2.607 -1.174 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . rr_2mix 1
. 4 . 1088 . 1 1 15 VAL CA C 2.972 2.143 -1.680 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . rr_2mix 1
. 4 . 1089 . 1 1 15 VAL CB C 2.857 0.676 -2.147 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . rr_2mix 1
. 4 . 1090 . 1 1 15 VAL CG1 C 1.903 0.559 -3.325 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . rr_2mix 1
. 4 . 1091 . 1 1 15 VAL CG2 C 4.218 0.106 -2.507 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . rr_2mix 1
. 4 . 1092 . 1 1 15 VAL H H 3.860 1.748 0.177 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . rr_2mix 1
. 4 . 1093 . 1 1 15 VAL HA H 3.274 2.755 -2.518 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . rr_2mix 1
. 4 . 1094 . 1 1 15 VAL HB H 2.454 0.096 -1.332 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . rr_2mix 1
. 4 . 1095 . 1 1 15 VAL HG11 H 0.924 0.905 -3.030 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . rr_2mix 1
. 4 . 1096 . 1 1 15 VAL HG12 H 1.840 -0.473 -3.636 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . rr_2mix 1
. 4 . 1097 . 1 1 15 VAL HG13 H 2.265 1.161 -4.145 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . rr_2mix 1
. 4 . 1098 . 1 1 15 VAL HG21 H 4.107 -0.923 -2.814 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . rr_2mix 1
. 4 . 1099 . 1 1 15 VAL HG22 H 4.869 0.159 -1.647 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . rr_2mix 1
. 4 . 1100 . 1 1 15 VAL HG23 H 4.644 0.679 -3.317 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . rr_2mix 1
. 4 . 1101 . 1 1 15 VAL N N 3.946 2.299 -0.627 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . rr_2mix 1
. 4 . 1102 . 1 1 15 VAL O O 1.028 1.983 -0.301 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . rr_2mix 1
. 4 . 1103 . 1 1 16 CYS C C -1.188 3.742 -2.297 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_2mix 1
. 4 . 1104 . 1 1 16 CYS CA C -0.136 4.232 -1.306 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_2mix 1
. 4 . 1105 . 1 1 16 CYS CB C -0.141 5.758 -1.243 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_2mix 1
. 4 . 1106 . 1 1 16 CYS H H 1.756 4.243 -2.280 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_2mix 1
. 4 . 1107 . 1 1 16 CYS HA H -0.381 3.839 -0.333 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_2mix 1
. 4 . 1108 . 1 1 16 CYS HB2 H -0.407 6.139 -2.211 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_2mix 1
. 4 . 1109 . 1 1 16 CYS HB3 H -0.888 6.073 -0.528 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_2mix 1
. 4 . 1110 . 1 1 16 CYS N N 1.179 3.728 -1.675 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_2mix 1
. 4 . 1111 . 1 1 16 CYS O O -0.947 3.693 -3.507 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_2mix 1
. 4 . 1112 . 1 1 16 CYS SG S 1.451 6.522 -0.752 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_2mix 1
. 4 . 1113 . 1 1 17 SER C C -4.742 2.865 -1.801 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . rr_2mix 1
. 4 . 1114 . 1 1 17 SER CA C -3.427 2.818 -2.578 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . rr_2mix 1
. 4 . 1115 . 1 1 17 SER CB C -3.102 1.374 -2.973 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . rr_2mix 1
. 4 . 1116 . 1 1 17 SER H H -2.497 3.516 -0.813 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . rr_2mix 1
. 4 . 1117 . 1 1 17 SER HA H -3.525 3.417 -3.471 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . rr_2mix 1
. 4 . 1118 . 1 1 17 SER HB2 H -3.867 1.002 -3.636 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . rr_2mix 1
. 4 . 1119 . 1 1 17 SER HB3 H -2.146 1.346 -3.475 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . rr_2mix 1
. 4 . 1120 . 1 1 17 SER HG H -2.183 0.096 -1.801 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . rr_2mix 1
. 4 . 1121 . 1 1 17 SER N N -2.350 3.380 -1.774 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . rr_2mix 1
. 4 . 1122 . 1 1 17 SER O O -4.792 3.390 -0.684 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . rr_2mix 1
. 4 . 1123 . 1 1 17 SER OG O -3.042 0.539 -1.834 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . rr_2mix 1
. 4 . 1124 . 1 1 18 GLN C C -7.808 0.994 -1.797 . . . 1.0 . . . . . . . . . . . . A . 18 GLN C . . . . . . . . . rr_2mix 1
. 4 . 1125 . 1 1 18 GLN CA C -7.117 2.356 -1.758 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CA . . . . . . . . . rr_2mix 1
. 4 . 1126 . 1 1 18 GLN CB C -7.991 3.419 -2.417 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CB . . . . . . . . . rr_2mix 1
. 4 . 1127 . 1 1 18 GLN CD C -8.396 5.892 -2.744 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CD . . . . . . . . . rr_2mix 1
. 4 . 1128 . 1 1 18 GLN CG C -7.540 4.823 -2.097 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CG . . . . . . . . . rr_2mix 1
. 4 . 1129 . 1 1 18 GLN H H -5.704 1.887 -3.262 . . . 1.0 . . . . . . . . . . . . A . 18 GLN H . . . . . . . . . rr_2mix 1
. 4 . 1130 . 1 1 18 GLN HA H -6.968 2.634 -0.728 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HA . . . . . . . . . rr_2mix 1
. 4 . 1131 . 1 1 18 GLN HB2 H -7.946 3.292 -3.485 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB2 . . . . . . . . . rr_2mix 1
. 4 . 1132 . 1 1 18 GLN HB3 H -9.009 3.301 -2.082 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB3 . . . . . . . . . rr_2mix 1
. 4 . 1133 . 1 1 18 GLN HE21 H -8.768 4.715 -4.303 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE21 . . . . . . . . . rr_2mix 1
. 4 . 1134 . 1 1 18 GLN HE22 H -9.497 6.281 -4.348 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE22 . . . . . . . . . rr_2mix 1
. 4 . 1135 . 1 1 18 GLN HG2 H -7.567 4.963 -1.026 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG2 . . . . . . . . . rr_2mix 1
. 4 . 1136 . 1 1 18 GLN HG3 H -6.529 4.931 -2.446 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG3 . . . . . . . . . rr_2mix 1
. 4 . 1137 . 1 1 18 GLN N N -5.806 2.323 -2.389 . . . 1.0 . . . . . . . . . . . . A . 18 GLN N . . . . . . . . . rr_2mix 1
. 4 . 1138 . 1 1 18 GLN NE2 N -8.942 5.600 -3.914 . . . 1.0 . . . . . . . . . . . . A . 18 GLN NE2 . . . . . . . . . rr_2mix 1
. 4 . 1139 . 1 1 18 GLN O O -8.667 0.747 -2.647 . . . 1.0 . . . . . . . . . . . . A . 18 GLN O . . . . . . . . . rr_2mix 1
. 4 . 1140 . 1 1 18 GLN OE1 O -8.557 6.980 -2.195 . . . 1.0 . . . . . . . . . . . . A . 18 GLN OE1 . . . . . . . . . rr_2mix 1
. 4 . 1141 . 1 1 19 SER C C -9.487 -1.015 -0.177 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_2mix 1
. 4 . 1142 . 1 1 19 SER CA C -8.082 -1.187 -0.749 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_2mix 1
. 4 . 1143 . 1 1 19 SER CB C -7.313 -2.080 0.211 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_2mix 1
. 4 . 1144 . 1 1 19 SER H H -6.688 0.339 -0.268 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_2mix 1
. 4 . 1145 . 1 1 19 SER HA H -8.113 -1.656 -1.724 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_2mix 1
. 4 . 1146 . 1 1 19 SER HB2 H -6.256 -1.915 0.094 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_2mix 1
. 4 . 1147 . 1 1 19 SER HB3 H -7.599 -1.824 1.213 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_2mix 1
. 4 . 1148 . 1 1 19 SER HG H -8.530 -3.620 0.212 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_2mix 1
. 4 . 1149 . 1 1 19 SER N N -7.433 0.113 -0.876 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_2mix 1
. 4 . 1150 . 1 1 19 SER O O -10.488 -1.387 -0.789 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_2mix 1
. 4 . 1151 . 1 1 19 SER OG O -7.601 -3.452 0.004 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_2mix 1
. 4 . 1152 . 1 1 20 CYS C C -11.672 0.758 1.488 . . . 1.0 . . . . . . . . . . . . A . 20 CYS C . . . . . . . . . rr_2mix 1
. 4 . 1153 . 1 1 20 CYS CA C -10.724 -0.385 1.847 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CA . . . . . . . . . rr_2mix 1
. 4 . 1154 . 1 1 20 CYS CB C -10.302 -0.281 3.319 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CB . . . . . . . . . rr_2mix 1
. 4 . 1155 . 1 1 20 CYS H H -8.736 0.071 1.316 . . . 1.0 . . . . . . . . . . . . A . 20 CYS H . . . . . . . . . rr_2mix 1
. 4 . 1156 . 1 1 20 CYS HA H -11.234 -1.318 1.704 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HA . . . . . . . . . rr_2mix 1
. 4 . 1157 . 1 1 20 CYS HB2 H -9.807 0.664 3.479 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB2 . . . . . . . . . rr_2mix 1
. 4 . 1158 . 1 1 20 CYS HB3 H -11.181 -0.333 3.944 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB3 . . . . . . . . . rr_2mix 1
. 4 . 1159 . 1 1 20 CYS N N -9.533 -0.402 1.004 . . . 1.0 . . . . . . . . . . . . A . 20 CYS N . . . . . . . . . rr_2mix 1
. 4 . 1160 . 1 1 20 CYS O O -12.361 1.299 2.354 . . . 1.0 . . . . . . . . . . . . A . 20 CYS O . . . . . . . . . rr_2mix 1
. 4 . 1161 . 1 1 20 CYS SG S -9.160 -1.605 3.853 . . . 1.0 . . . . . . . . . . . . A . 20 CYS SG . . . . . . . . . rr_2mix 1
. 4 . 1162 . 1 1 21 CYS C C -13.362 1.784 -1.461 . . . 1.0 . . . . . . . . . . . . A . 21 CYS C . . . . . . . . . rr_2mix 1
. 4 . 1163 . 1 1 21 CYS CA C -12.555 2.212 -0.242 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CA . . . . . . . . . rr_2mix 1
. 4 . 1164 . 1 1 21 CYS CB C -11.708 3.444 -0.575 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CB . . . . . . . . . rr_2mix 1
. 4 . 1165 . 1 1 21 CYS H H -11.171 0.627 -0.441 . . . 1.0 . . . . . . . . . . . . A . 21 CYS H . . . . . . . . . rr_2mix 1
. 4 . 1166 . 1 1 21 CYS HA H -13.238 2.459 0.558 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HA . . . . . . . . . rr_2mix 1
. 4 . 1167 . 1 1 21 CYS HB2 H -11.038 3.200 -1.386 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB2 . . . . . . . . . rr_2mix 1
. 4 . 1168 . 1 1 21 CYS HB3 H -12.362 4.245 -0.884 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB3 . . . . . . . . . rr_2mix 1
. 4 . 1169 . 1 1 21 CYS N N -11.712 1.118 0.213 . . . 1.0 . . . . . . . . . . . . A . 21 CYS N . . . . . . . . . rr_2mix 1
. 4 . 1170 . 1 1 21 CYS O O -12.915 2.046 -2.599 . . . 1.0 . . . . . . . . . . . . A . 21 CYS O . . . . . . . . . rr_2mix 1
. 4 . 1171 . 1 1 21 CYS OXT O -14.430 1.162 -1.275 . . . 1.0 . . . . . . . . . . . . A . 21 CYS OXT . . . . . . . . . rr_2mix 1
. 4 . 1172 . 1 1 21 CYS SG S -10.693 4.058 0.812 . . . 1.0 . . . . . . . . . . . . A . 21 CYS SG . . . . . . . . . rr_2mix 1
. 5 . 1173 . 1 1 1 THR C C -1.023 -5.028 -0.657 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . rr_2mix 1
. 5 . 1174 . 1 1 1 THR CA C -0.115 -6.250 -0.773 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . rr_2mix 1
. 5 . 1175 . 1 1 1 THR CB C 0.441 -6.609 0.617 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . rr_2mix 1
. 5 . 1176 . 1 1 1 THR CG2 C -0.656 -7.145 1.526 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . rr_2mix 1
. 5 . 1177 . 1 1 1 THR H1 H 0.608 -5.736 -2.652 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . rr_2mix 1
. 5 . 1178 . 1 1 1 THR H2 H 1.579 -6.838 -1.814 . . . 1.0 . . . . . . . . . . . . A . 1 THR H2 . . . . . . . . . rr_2mix 1
. 5 . 1179 . 1 1 1 THR H3 H 1.580 -5.206 -1.369 . . . 1.0 . . . . . . . . . . . . A . 1 THR H3 . . . . . . . . . rr_2mix 1
. 5 . 1180 . 1 1 1 THR HA H -0.692 -7.085 -1.139 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . rr_2mix 1
. 5 . 1181 . 1 1 1 THR HB H 0.857 -5.717 1.064 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . rr_2mix 1
. 5 . 1182 . 1 1 1 THR HG1 H 1.176 -8.428 0.863 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . rr_2mix 1
. 5 . 1183 . 1 1 1 THR HG21 H -1.443 -6.410 1.616 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . rr_2mix 1
. 5 . 1184 . 1 1 1 THR HG22 H -0.245 -7.352 2.503 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . rr_2mix 1
. 5 . 1185 . 1 1 1 THR HG23 H -1.061 -8.055 1.106 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . rr_2mix 1
. 5 . 1186 . 1 1 1 THR N N 0.987 -5.990 -1.718 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . rr_2mix 1
. 5 . 1187 . 1 1 1 THR O O -0.574 -3.943 -0.309 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . rr_2mix 1
. 5 . 1188 . 1 1 1 THR OG1 O 1.474 -7.592 0.480 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . rr_2mix 1
. 5 . 1189 . 1 1 2 ARG C C -3.745 -3.779 0.475 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2mix 1
. 5 . 1190 . 1 1 2 ARG CA C -3.313 -4.190 -0.952 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2mix 1
. 5 . 1191 . 1 1 2 ARG CB C -4.476 -4.700 -1.793 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2mix 1
. 5 . 1192 . 1 1 2 ARG CD C -6.638 -4.331 -2.894 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2mix 1
. 5 . 1193 . 1 1 2 ARG CG C -5.562 -3.699 -2.067 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2mix 1
. 5 . 1194 . 1 1 2 ARG CZ C -8.362 -2.753 -3.711 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2mix 1
. 5 . 1195 . 1 1 2 ARG H H -2.603 -6.142 -1.163 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2mix 1
. 5 . 1196 . 1 1 2 ARG HA H -2.889 -3.329 -1.443 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2mix 1
. 5 . 1197 . 1 1 2 ARG HB2 H -4.092 -5.038 -2.741 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2mix 1
. 5 . 1198 . 1 1 2 ARG HB3 H -4.919 -5.534 -1.287 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2mix 1
. 5 . 1199 . 1 1 2 ARG HD2 H -6.317 -4.357 -3.925 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2mix 1
. 5 . 1200 . 1 1 2 ARG HD3 H -6.758 -5.332 -2.530 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2mix 1
. 5 . 1201 . 1 1 2 ARG HE H -8.470 -3.800 -2.011 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2mix 1
. 5 . 1202 . 1 1 2 ARG HG2 H -5.979 -3.378 -1.133 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2mix 1
. 5 . 1203 . 1 1 2 ARG HG3 H -5.155 -2.860 -2.591 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2mix 1
. 5 . 1204 . 1 1 2 ARG HH11 H -6.742 -2.901 -4.926 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2mix 1
. 5 . 1205 . 1 1 2 ARG HH12 H -7.981 -1.814 -5.469 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2mix 1
. 5 . 1206 . 1 1 2 ARG HH21 H -10.085 -2.367 -2.715 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2mix 1
. 5 . 1207 . 1 1 2 ARG HH22 H -9.886 -1.515 -4.216 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2mix 1
. 5 . 1208 . 1 1 2 ARG N N -2.303 -5.231 -0.938 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2mix 1
. 5 . 1209 . 1 1 2 ARG NE N -7.911 -3.618 -2.801 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2mix 1
. 5 . 1210 . 1 1 2 ARG NH1 N -7.638 -2.469 -4.789 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2mix 1
. 5 . 1211 . 1 1 2 ARG NH2 N -9.537 -2.164 -3.534 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2mix 1
. 5 . 1212 . 1 1 2 ARG O O -4.924 -3.573 0.735 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2mix 1
. 5 . 1213 . 1 1 3 ILE C C -3.796 -2.162 3.039 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_2mix 1
. 5 . 1214 . 1 1 3 ILE CA C -3.110 -3.516 2.830 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_2mix 1
. 5 . 1215 . 1 1 3 ILE CB C -1.830 -3.549 3.689 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_2mix 1
. 5 . 1216 . 1 1 3 ILE CD1 C 0.720 -3.492 3.543 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_2mix 1
. 5 . 1217 . 1 1 3 ILE CG1 C -0.599 -3.588 2.799 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_2mix 1
. 5 . 1218 . 1 1 3 ILE CG2 C -1.842 -4.733 4.622 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_2mix 1
. 5 . 1219 . 1 1 3 ILE H H -1.887 -3.975 1.170 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_2mix 1
. 5 . 1220 . 1 1 3 ILE HA H -3.766 -4.285 3.181 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_2mix 1
. 5 . 1221 . 1 1 3 ILE HB H -1.804 -2.652 4.281 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_2mix 1
. 5 . 1222 . 1 1 3 ILE HD11 H 1.533 -3.437 2.831 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_2mix 1
. 5 . 1223 . 1 1 3 ILE HD12 H 0.845 -4.365 4.166 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_2mix 1
. 5 . 1224 . 1 1 3 ILE HD13 H 0.722 -2.606 4.158 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_2mix 1
. 5 . 1225 . 1 1 3 ILE HG12 H -0.602 -4.512 2.246 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_2mix 1
. 5 . 1226 . 1 1 3 ILE HG13 H -0.657 -2.768 2.111 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_2mix 1
. 5 . 1227 . 1 1 3 ILE HG21 H -1.890 -5.641 4.042 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_2mix 1
. 5 . 1228 . 1 1 3 ILE HG22 H -2.699 -4.670 5.272 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_2mix 1
. 5 . 1229 . 1 1 3 ILE HG23 H -0.938 -4.728 5.209 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_2mix 1
. 5 . 1230 . 1 1 3 ILE N N -2.809 -3.799 1.424 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_2mix 1
. 5 . 1231 . 1 1 3 ILE O O -3.154 -1.133 3.220 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_2mix 1
. 5 . 1232 . 1 1 4 CYS C C -5.702 0.158 2.525 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2mix 1
. 5 . 1233 . 1 1 4 CYS CA C -6.006 -1.097 3.356 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2mix 1
. 5 . 1234 . 1 1 4 CYS CB C -6.067 -0.738 4.837 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2mix 1
. 5 . 1235 . 1 1 4 CYS H H -5.504 -3.118 2.979 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2mix 1
. 5 . 1236 . 1 1 4 CYS HA H -6.991 -1.431 3.069 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2mix 1
. 5 . 1237 . 1 1 4 CYS HB2 H -5.322 -1.306 5.376 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2mix 1
. 5 . 1238 . 1 1 4 CYS HB3 H -5.869 0.319 4.951 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2mix 1
. 5 . 1239 . 1 1 4 CYS N N -5.108 -2.237 3.113 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2mix 1
. 5 . 1240 . 1 1 4 CYS O O -4.854 0.173 1.634 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2mix 1
. 5 . 1241 . 1 1 4 CYS SG S -7.696 -1.081 5.585 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2mix 1
. 5 . 1242 . 1 1 5 CYS C C -5.605 3.493 2.672 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_2mix 1
. 5 . 1243 . 1 1 5 CYS CA C -6.479 2.418 2.044 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_2mix 1
. 5 . 1244 . 1 1 5 CYS CB C -7.929 2.872 1.986 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_2mix 1
. 5 . 1245 . 1 1 5 CYS H H -6.993 1.173 3.637 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_2mix 1
. 5 . 1246 . 1 1 5 CYS HA H -6.134 2.198 1.053 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_2mix 1
. 5 . 1247 . 1 1 5 CYS HB2 H -8.518 2.090 1.534 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_2mix 1
. 5 . 1248 . 1 1 5 CYS HB3 H -8.269 3.022 2.995 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_2mix 1
. 5 . 1249 . 1 1 5 CYS N N -6.443 1.208 2.833 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_2mix 1
. 5 . 1250 . 1 1 5 CYS O O -5.723 3.791 3.861 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_2mix 1
. 5 . 1251 . 1 1 5 CYS SG S -8.256 4.398 1.055 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_2mix 1
. 5 . 1252 . 1 1 6 GLY C C -2.411 4.751 1.830 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . rr_2mix 1
. 5 . 1253 . 1 1 6 GLY CA C -3.789 5.041 2.361 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . rr_2mix 1
. 5 . 1254 . 1 1 6 GLY H H -4.713 3.810 0.918 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . rr_2mix 1
. 5 . 1255 . 1 1 6 GLY HA2 H -4.096 6.026 2.044 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . rr_2mix 1
. 5 . 1256 . 1 1 6 GLY HA3 H -3.768 5.003 3.440 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . rr_2mix 1
. 5 . 1257 . 1 1 6 GLY N N -4.732 4.066 1.869 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . rr_2mix 1
. 5 . 1258 . 1 1 6 GLY O O -2.273 4.294 0.699 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . rr_2mix 1
. 5 . 1259 . 1 1 7 CYS C C 0.576 3.651 3.152 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_2mix 1
. 5 . 1260 . 1 1 7 CYS CA C -0.034 4.692 2.227 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_2mix 1
. 5 . 1261 . 1 1 7 CYS CB C 0.805 5.969 2.229 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_2mix 1
. 5 . 1262 . 1 1 7 CYS H H -1.560 5.357 3.529 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_2mix 1
. 5 . 1263 . 1 1 7 CYS HA H -0.067 4.294 1.228 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_2mix 1
. 5 . 1264 . 1 1 7 CYS HB2 H 0.873 6.347 3.237 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_2mix 1
. 5 . 1265 . 1 1 7 CYS HB3 H 1.797 5.741 1.867 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_2mix 1
. 5 . 1266 . 1 1 7 CYS N N -1.395 4.985 2.637 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_2mix 1
. 5 . 1267 . 1 1 7 CYS O O 0.607 3.830 4.373 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_2mix 1
. 5 . 1268 . 1 1 7 CYS SG S 0.124 7.301 1.182 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_2mix 1
. 5 . 1269 . 1 1 8 TYR C C 3.063 1.220 2.864 . . . 1.0 . . . . . . . . . . . . A . 8 TYR C . . . . . . . . . rr_2mix 1
. 5 . 1270 . 1 1 8 TYR CA C 1.650 1.493 3.348 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CA . . . . . . . . . rr_2mix 1
. 5 . 1271 . 1 1 8 TYR CB C 0.816 0.204 3.273 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CB . . . . . . . . . rr_2mix 1
. 5 . 1272 . 1 1 8 TYR CD1 C 1.283 -0.338 0.839 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD1 . . . . . . . . . rr_2mix 1
. 5 . 1273 . 1 1 8 TYR CD2 C -0.951 -0.510 1.623 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD2 . . . . . . . . . rr_2mix 1
. 5 . 1274 . 1 1 8 TYR CE1 C 0.876 -0.730 -0.424 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE1 . . . . . . . . . rr_2mix 1
. 5 . 1275 . 1 1 8 TYR CE2 C -1.371 -0.902 0.368 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE2 . . . . . . . . . rr_2mix 1
. 5 . 1276 . 1 1 8 TYR CG C 0.378 -0.219 1.881 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CG . . . . . . . . . rr_2mix 1
. 5 . 1277 . 1 1 8 TYR CZ C -0.454 -1.009 -0.655 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CZ . . . . . . . . . rr_2mix 1
. 5 . 1278 . 1 1 8 TYR H H 0.971 2.451 1.602 . . . 1.0 . . . . . . . . . . . . A . 8 TYR H . . . . . . . . . rr_2mix 1
. 5 . 1279 . 1 1 8 TYR HA H 1.694 1.820 4.376 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HA . . . . . . . . . rr_2mix 1
. 5 . 1280 . 1 1 8 TYR HB2 H 1.402 -0.599 3.672 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB2 . . . . . . . . . rr_2mix 1
. 5 . 1281 . 1 1 8 TYR HB3 H -0.072 0.326 3.877 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB3 . . . . . . . . . rr_2mix 1
. 5 . 1282 . 1 1 8 TYR HD1 H 2.324 -0.121 1.027 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD1 . . . . . . . . . rr_2mix 1
. 5 . 1283 . 1 1 8 TYR HD2 H -1.669 -0.438 2.429 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD2 . . . . . . . . . rr_2mix 1
. 5 . 1284 . 1 1 8 TYR HE1 H 1.598 -0.813 -1.222 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE1 . . . . . . . . . rr_2mix 1
. 5 . 1285 . 1 1 8 TYR HE2 H -2.416 -1.131 0.199 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE2 . . . . . . . . . rr_2mix 1
. 5 . 1286 . 1 1 8 TYR HH H -1.676 -0.932 -2.140 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HH . . . . . . . . . rr_2mix 1
. 5 . 1287 . 1 1 8 TYR N N 1.040 2.553 2.575 . . . 1.0 . . . . . . . . . . . . A . 8 TYR N . . . . . . . . . rr_2mix 1
. 5 . 1288 . 1 1 8 TYR O O 3.414 1.539 1.728 . . . 1.0 . . . . . . . . . . . . A . 8 TYR O . . . . . . . . . rr_2mix 1
. 5 . 1289 . 1 1 8 TYR OH O -0.866 -1.398 -1.912 . . . 1.0 . . . . . . . . . . . . A . 8 TYR OH . . . . . . . . . rr_2mix 1
. 5 . 1290 . 1 1 9 TRP C C 5.038 -1.227 2.736 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_2mix 1
. 5 . 1291 . 1 1 9 TRP CA C 5.174 0.170 3.311 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_2mix 1
. 5 . 1292 . 1 1 9 TRP CB C 6.178 0.162 4.464 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_2mix 1
. 5 . 1293 . 1 1 9 TRP CD1 C 8.089 -1.479 4.014 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_2mix 1
. 5 . 1294 . 1 1 9 TRP CD2 C 8.525 0.631 3.421 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_2mix 1
. 5 . 1295 . 1 1 9 TRP CE2 C 9.640 -0.161 3.100 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_2mix 1
. 5 . 1296 . 1 1 9 TRP CE3 C 8.568 1.999 3.141 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_2mix 1
. 5 . 1297 . 1 1 9 TRP CG C 7.544 -0.230 4.001 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_2mix 1
. 5 . 1298 . 1 1 9 TRP CH2 C 10.790 1.712 2.249 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_2mix 1
. 5 . 1299 . 1 1 9 TRP CZ2 C 10.781 0.371 2.512 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_2mix 1
. 5 . 1300 . 1 1 9 TRP CZ3 C 9.699 2.524 2.560 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_2mix 1
. 5 . 1301 . 1 1 9 TRP H H 3.587 0.517 4.656 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_2mix 1
. 5 . 1302 . 1 1 9 TRP HA H 5.531 0.831 2.536 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_2mix 1
. 5 . 1303 . 1 1 9 TRP HB2 H 6.235 1.148 4.899 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_2mix 1
. 5 . 1304 . 1 1 9 TRP HB3 H 5.858 -0.546 5.215 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_2mix 1
. 5 . 1305 . 1 1 9 TRP HD1 H 7.588 -2.356 4.394 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_2mix 1
. 5 . 1306 . 1 1 9 TRP HE1 H 9.941 -2.228 3.353 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_2mix 1
. 5 . 1307 . 1 1 9 TRP HE3 H 7.734 2.642 3.374 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_2mix 1
. 5 . 1308 . 1 1 9 TRP HH2 H 11.652 2.168 1.796 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_2mix 1
. 5 . 1309 . 1 1 9 TRP HZ2 H 11.633 -0.240 2.258 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_2mix 1
. 5 . 1310 . 1 1 9 TRP HZ3 H 9.747 3.576 2.333 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_2mix 1
. 5 . 1311 . 1 1 9 TRP N N 3.873 0.637 3.727 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_2mix 1
. 5 . 1312 . 1 1 9 TRP NE1 N 9.347 -1.450 3.465 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_2mix 1
. 5 . 1313 . 1 1 9 TRP O O 4.733 -2.180 3.459 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_2mix 1
. 5 . 1314 . 1 1 10 ASN C C 6.546 -3.075 0.338 . . . 1.0 . . . . . . . . . . . . A . 10 ASN C . . . . . . . . . rr_2mix 1
. 5 . 1315 . 1 1 10 ASN CA C 5.156 -2.624 0.769 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CA . . . . . . . . . rr_2mix 1
. 5 . 1316 . 1 1 10 ASN CB C 4.230 -2.523 -0.448 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CB . . . . . . . . . rr_2mix 1
. 5 . 1317 . 1 1 10 ASN CG C 3.991 -3.860 -1.127 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CG . . . . . . . . . rr_2mix 1
. 5 . 1318 . 1 1 10 ASN H H 5.443 -0.538 0.914 . . . 1.0 . . . . . . . . . . . . A . 10 ASN H . . . . . . . . . rr_2mix 1
. 5 . 1319 . 1 1 10 ASN HA H 4.751 -3.342 1.466 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HA . . . . . . . . . rr_2mix 1
. 5 . 1320 . 1 1 10 ASN HB2 H 3.275 -2.132 -0.130 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB2 . . . . . . . . . rr_2mix 1
. 5 . 1321 . 1 1 10 ASN HB3 H 4.667 -1.848 -1.169 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB3 . . . . . . . . . rr_2mix 1
. 5 . 1322 . 1 1 10 ASN HD21 H 5.558 -3.571 -2.313 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD21 . . . . . . . . . rr_2mix 1
. 5 . 1323 . 1 1 10 ASN HD22 H 4.696 -5.055 -2.553 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD22 . . . . . . . . . rr_2mix 1
. 5 . 1324 . 1 1 10 ASN N N 5.235 -1.340 1.438 . . . 1.0 . . . . . . . . . . . . A . 10 ASN N . . . . . . . . . rr_2mix 1
. 5 . 1325 . 1 1 10 ASN ND2 N 4.832 -4.196 -2.094 . . . 1.0 . . . . . . . . . . . . A . 10 ASN ND2 . . . . . . . . . rr_2mix 1
. 5 . 1326 . 1 1 10 ASN O O 6.987 -2.783 -0.776 . . . 1.0 . . . . . . . . . . . . A . 10 ASN O . . . . . . . . . rr_2mix 1
. 5 . 1327 . 1 1 10 ASN OD1 O 3.054 -4.582 -0.790 . . . 1.0 . . . . . . . . . . . . A . 10 ASN OD1 . . . . . . . . . rr_2mix 1
. 5 . 1328 . 1 1 11 GLY C C 9.634 -3.371 0.693 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2mix 1
. 5 . 1329 . 1 1 11 GLY CA C 8.515 -4.373 0.932 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2mix 1
. 5 . 1330 . 1 1 11 GLY H H 6.846 -3.892 2.133 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2mix 1
. 5 . 1331 . 1 1 11 GLY HA2 H 8.800 -5.010 1.754 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2mix 1
. 5 . 1332 . 1 1 11 GLY HA3 H 8.407 -4.981 0.052 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2mix 1
. 5 . 1333 . 1 1 11 GLY N N 7.227 -3.775 1.237 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2mix 1
. 5 . 1334 . 1 1 11 GLY O O 10.501 -3.185 1.546 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2mix 1
. 5 . 1335 . 1 1 12 SER C C 10.394 -0.407 -0.846 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . rr_2mix 1
. 5 . 1336 . 1 1 12 SER CA C 10.735 -1.901 -0.891 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . rr_2mix 1
. 5 . 1337 . 1 1 12 SER CB C 11.177 -2.320 -2.300 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . rr_2mix 1
. 5 . 1338 . 1 1 12 SER H H 8.839 -2.829 -1.055 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . rr_2mix 1
. 5 . 1339 . 1 1 12 SER HA H 11.552 -2.084 -0.210 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . rr_2mix 1
. 5 . 1340 . 1 1 12 SER HB2 H 11.486 -3.353 -2.282 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . rr_2mix 1
. 5 . 1341 . 1 1 12 SER HB3 H 10.348 -2.211 -2.981 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . rr_2mix 1
. 5 . 1342 . 1 1 12 SER HG H 13.063 -2.072 -2.776 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . rr_2mix 1
. 5 . 1343 . 1 1 12 SER N N 9.622 -2.735 -0.467 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . rr_2mix 1
. 5 . 1344 . 1 1 12 SER O O 11.285 0.426 -0.659 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . rr_2mix 1
. 5 . 1345 . 1 1 12 SER OG O 12.261 -1.535 -2.769 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . rr_2mix 1
. 5 . 1346 . 1 1 13 LYS C C 7.463 1.571 -0.187 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mix 1
. 5 . 1347 . 1 1 13 LYS CA C 8.733 1.359 -0.989 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mix 1
. 5 . 1348 . 1 1 13 LYS CB C 8.468 1.933 -2.392 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mix 1
. 5 . 1349 . 1 1 13 LYS CD C 9.236 0.227 -4.043 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mix 1
. 5 . 1350 . 1 1 13 LYS CE C 9.559 0.185 -5.519 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mix 1
. 5 . 1351 . 1 1 13 LYS CG C 9.481 1.595 -3.470 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mix 1
. 5 . 1352 . 1 1 13 LYS H H 8.434 -0.743 -1.133 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mix 1
. 5 . 1353 . 1 1 13 LYS HA H 9.533 1.914 -0.528 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mix 1
. 5 . 1354 . 1 1 13 LYS HB2 H 7.509 1.578 -2.728 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mix 1
. 5 . 1355 . 1 1 13 LYS HB3 H 8.420 3.010 -2.309 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mix 1
. 5 . 1356 . 1 1 13 LYS HD2 H 9.844 -0.492 -3.522 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mix 1
. 5 . 1357 . 1 1 13 LYS HD3 H 8.198 -0.002 -3.910 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mix 1
. 5 . 1358 . 1 1 13 LYS HE2 H 8.847 0.814 -6.032 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mix 1
. 5 . 1359 . 1 1 13 LYS HE3 H 10.557 0.568 -5.671 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mix 1
. 5 . 1360 . 1 1 13 LYS HG2 H 9.384 2.306 -4.264 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mix 1
. 5 . 1361 . 1 1 13 LYS HG3 H 10.477 1.637 -3.054 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mix 1
. 5 . 1362 . 1 1 13 LYS HZ1 H 8.528 -1.589 -5.900 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mix 1
. 5 . 1363 . 1 1 13 LYS HZ2 H 10.181 -1.805 -5.619 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . rr_2mix 1
. 5 . 1364 . 1 1 13 LYS HZ3 H 9.650 -1.180 -7.094 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mix 1
. 5 . 1365 . 1 1 13 LYS N N 9.120 -0.053 -1.011 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mix 1
. 5 . 1366 . 1 1 13 LYS NZ N 9.473 -1.192 -6.070 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mix 1
. 5 . 1367 . 1 1 13 LYS O O 6.734 0.628 0.123 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mix 1
. 5 . 1368 . 1 1 14 ASP C C 5.012 3.548 -0.514 . . . 1.0 . . . . . . . . . . . . A . 14 ASP C . . . . . . . . . rr_2mix 1
. 5 . 1369 . 1 1 14 ASP CA C 5.936 3.263 0.660 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CA . . . . . . . . . rr_2mix 1
. 5 . 1370 . 1 1 14 ASP CB C 6.104 4.512 1.531 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CB . . . . . . . . . rr_2mix 1
. 5 . 1371 . 1 1 14 ASP CG C 4.781 5.090 1.997 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CG . . . . . . . . . rr_2mix 1
. 5 . 1372 . 1 1 14 ASP H H 7.926 3.497 0.010 . . . 1.0 . . . . . . . . . . . . A . 14 ASP H . . . . . . . . . rr_2mix 1
. 5 . 1373 . 1 1 14 ASP HA H 5.523 2.458 1.252 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HA . . . . . . . . . rr_2mix 1
. 5 . 1374 . 1 1 14 ASP HB2 H 6.687 4.256 2.403 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB2 . . . . . . . . . rr_2mix 1
. 5 . 1375 . 1 1 14 ASP HB3 H 6.628 5.269 0.965 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB3 . . . . . . . . . rr_2mix 1
. 5 . 1376 . 1 1 14 ASP N N 7.217 2.831 0.134 . . . 1.0 . . . . . . . . . . . . A . 14 ASP N . . . . . . . . . rr_2mix 1
. 5 . 1377 . 1 1 14 ASP O O 5.277 4.436 -1.329 . . . 1.0 . . . . . . . . . . . . A . 14 ASP O . . . . . . . . . rr_2mix 1
. 5 . 1378 . 1 1 14 ASP OD1 O 4.164 4.520 2.921 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD1 . . . . . . . . . rr_2mix 1
. 5 . 1379 . 1 1 14 ASP OD2 O 4.367 6.139 1.456 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD2 . . . . . . . . . rr_2mix 1
. 5 . 1380 . 1 1 15 VAL C C 1.650 3.081 -1.285 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . rr_2mix 1
. 5 . 1381 . 1 1 15 VAL CA C 3.069 2.827 -1.755 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . rr_2mix 1
. 5 . 1382 . 1 1 15 VAL CB C 3.121 1.512 -2.573 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . rr_2mix 1
. 5 . 1383 . 1 1 15 VAL CG1 C 2.216 1.597 -3.794 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . rr_2mix 1
. 5 . 1384 . 1 1 15 VAL CG2 C 4.551 1.184 -2.990 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . rr_2mix 1
. 5 . 1385 . 1 1 15 VAL H H 3.717 2.185 0.127 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . rr_2mix 1
. 5 . 1386 . 1 1 15 VAL HA H 3.385 3.641 -2.391 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . rr_2mix 1
. 5 . 1387 . 1 1 15 VAL HB H 2.762 0.710 -1.944 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . rr_2mix 1
. 5 . 1388 . 1 1 15 VAL HG11 H 2.527 2.424 -4.415 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . rr_2mix 1
. 5 . 1389 . 1 1 15 VAL HG12 H 1.195 1.749 -3.477 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . rr_2mix 1
. 5 . 1390 . 1 1 15 VAL HG13 H 2.286 0.678 -4.358 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . rr_2mix 1
. 5 . 1391 . 1 1 15 VAL HG21 H 4.933 1.973 -3.621 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . rr_2mix 1
. 5 . 1392 . 1 1 15 VAL HG22 H 4.563 0.252 -3.536 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . rr_2mix 1
. 5 . 1393 . 1 1 15 VAL HG23 H 5.171 1.094 -2.111 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . rr_2mix 1
. 5 . 1394 . 1 1 15 VAL N N 3.946 2.779 -0.613 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . rr_2mix 1
. 5 . 1395 . 1 1 15 VAL O O 1.133 2.383 -0.416 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . rr_2mix 1
. 5 . 1396 . 1 1 16 CYS C C -1.297 3.797 -2.437 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_2mix 1
. 5 . 1397 . 1 1 16 CYS CA C -0.317 4.452 -1.478 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_2mix 1
. 5 . 1398 . 1 1 16 CYS CB C -0.511 5.964 -1.482 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_2mix 1
. 5 . 1399 . 1 1 16 CYS H H 1.543 4.655 -2.465 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_2mix 1
. 5 . 1400 . 1 1 16 CYS HA H -0.510 4.077 -0.488 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_2mix 1
. 5 . 1401 . 1 1 16 CYS HB2 H -0.585 6.299 -2.497 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_2mix 1
. 5 . 1402 . 1 1 16 CYS HB3 H -1.429 6.201 -0.965 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_2mix 1
. 5 . 1403 . 1 1 16 CYS N N 1.050 4.107 -1.826 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_2mix 1
. 5 . 1404 . 1 1 16 CYS O O -0.995 3.601 -3.615 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_2mix 1
. 5 . 1405 . 1 1 16 CYS SG S 0.838 6.890 -0.675 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_2mix 1
. 5 . 1406 . 1 1 17 SER C C -4.792 2.733 -1.894 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . rr_2mix 1
. 5 . 1407 . 1 1 17 SER CA C -3.484 2.764 -2.681 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . rr_2mix 1
. 5 . 1408 . 1 1 17 SER CB C -3.017 1.338 -2.993 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . rr_2mix 1
. 5 . 1409 . 1 1 17 SER H H -2.658 3.718 -0.989 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . rr_2mix 1
. 5 . 1410 . 1 1 17 SER HA H -3.639 3.298 -3.605 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . rr_2mix 1
. 5 . 1411 . 1 1 17 SER HB2 H -2.025 1.371 -3.417 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . rr_2mix 1
. 5 . 1412 . 1 1 17 SER HB3 H -2.998 0.762 -2.079 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . rr_2mix 1
. 5 . 1413 . 1 1 17 SER HG H -3.733 1.065 -4.797 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . rr_2mix 1
. 5 . 1414 . 1 1 17 SER N N -2.467 3.467 -1.920 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . rr_2mix 1
. 5 . 1415 . 1 1 17 SER O O -4.787 2.621 -0.665 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . rr_2mix 1
. 5 . 1416 . 1 1 17 SER OG O -3.884 0.701 -3.914 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . rr_2mix 1
. 5 . 1417 . 1 1 18 GLN C C -7.791 1.424 -1.931 . . . 1.0 . . . . . . . . . . . . A . 18 GLN C . . . . . . . . . rr_2mix 1
. 5 . 1418 . 1 1 18 GLN CA C -7.214 2.832 -1.958 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CA . . . . . . . . . rr_2mix 1
. 5 . 1419 . 1 1 18 GLN CB C -8.164 3.785 -2.683 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CB . . . . . . . . . rr_2mix 1
. 5 . 1420 . 1 1 18 GLN CD C -8.761 6.177 -3.225 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CD . . . . . . . . . rr_2mix 1
. 5 . 1421 . 1 1 18 GLN CG C -7.797 5.244 -2.519 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CG . . . . . . . . . rr_2mix 1
. 5 . 1422 . 1 1 18 GLN H H -5.853 2.924 -3.574 . . . 1.0 . . . . . . . . . . . . A . 18 GLN H . . . . . . . . . rr_2mix 1
. 5 . 1423 . 1 1 18 GLN HA H -7.087 3.168 -0.933 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HA . . . . . . . . . rr_2mix 1
. 5 . 1424 . 1 1 18 GLN HB2 H -8.161 3.551 -3.735 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB2 . . . . . . . . . rr_2mix 1
. 5 . 1425 . 1 1 18 GLN HB3 H -9.155 3.647 -2.295 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB3 . . . . . . . . . rr_2mix 1
. 5 . 1426 . 1 1 18 GLN HE21 H -9.118 4.812 -4.619 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE21 . . . . . . . . . rr_2mix 1
. 5 . 1427 . 1 1 18 GLN HE22 H -9.965 6.307 -4.795 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE22 . . . . . . . . . rr_2mix 1
. 5 . 1428 . 1 1 18 GLN HG2 H -7.812 5.473 -1.467 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG2 . . . . . . . . . rr_2mix 1
. 5 . 1429 . 1 1 18 GLN HG3 H -6.805 5.404 -2.912 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG3 . . . . . . . . . rr_2mix 1
. 5 . 1430 . 1 1 18 GLN N N -5.908 2.843 -2.597 . . . 1.0 . . . . . . . . . . . . A . 18 GLN N . . . . . . . . . rr_2mix 1
. 5 . 1431 . 1 1 18 GLN NE2 N -9.339 5.719 -4.322 . . . 1.0 . . . . . . . . . . . . A . 18 GLN NE2 . . . . . . . . . rr_2mix 1
. 5 . 1432 . 1 1 18 GLN O O -8.653 1.067 -2.732 . . . 1.0 . . . . . . . . . . . . A . 18 GLN O . . . . . . . . . rr_2mix 1
. 5 . 1433 . 1 1 18 GLN OE1 O -8.985 7.306 -2.786 . . . 1.0 . . . . . . . . . . . . A . 18 GLN OE1 . . . . . . . . . rr_2mix 1
. 5 . 1434 . 1 1 19 SER C C -9.093 -0.732 -0.026 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_2mix 1
. 5 . 1435 . 1 1 19 SER CA C -7.770 -0.724 -0.786 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_2mix 1
. 5 . 1436 . 1 1 19 SER CB C -6.729 -1.448 0.017 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_2mix 1
. 5 . 1437 . 1 1 19 SER H H -6.587 0.979 -0.413 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_2mix 1
. 5 . 1438 . 1 1 19 SER HA H -7.877 -1.220 -1.744 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_2mix 1
. 5 . 1439 . 1 1 19 SER HB2 H -6.752 -1.084 1.028 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_2mix 1
. 5 . 1440 . 1 1 19 SER HB3 H -6.935 -2.504 0.011 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_2mix 1
. 5 . 1441 . 1 1 19 SER HG H -4.874 -0.816 0.152 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_2mix 1
. 5 . 1442 . 1 1 19 SER N N -7.307 0.638 -0.988 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_2mix 1
. 5 . 1443 . 1 1 19 SER O O -10.118 -1.178 -0.535 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_2mix 1
. 5 . 1444 . 1 1 19 SER OG O -5.440 -1.214 -0.526 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_2mix 1
. 5 . 1445 . 1 1 20 CYS C C -11.074 1.089 1.781 . . . 1.0 . . . . . . . . . . . . A . 20 CYS C . . . . . . . . . rr_2mix 1
. 5 . 1446 . 1 1 20 CYS CA C -10.229 -0.153 2.062 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CA . . . . . . . . . rr_2mix 1
. 5 . 1447 . 1 1 20 CYS CB C -9.797 -0.181 3.537 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CB . . . . . . . . . rr_2mix 1
. 5 . 1448 . 1 1 20 CYS H H -8.217 0.186 1.515 . . . 1.0 . . . . . . . . . . . . A . 20 CYS H . . . . . . . . . rr_2mix 1
. 5 . 1449 . 1 1 20 CYS HA H -10.822 -1.030 1.855 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HA . . . . . . . . . rr_2mix 1
. 5 . 1450 . 1 1 20 CYS HB2 H -9.178 0.680 3.739 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB2 . . . . . . . . . rr_2mix 1
. 5 . 1451 . 1 1 20 CYS HB3 H -10.676 -0.139 4.162 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB3 . . . . . . . . . rr_2mix 1
. 5 . 1452 . 1 1 20 CYS N N -9.058 -0.193 1.192 . . . 1.0 . . . . . . . . . . . . A . 20 CYS N . . . . . . . . . rr_2mix 1
. 5 . 1453 . 1 1 20 CYS O O -11.697 1.646 2.681 . . . 1.0 . . . . . . . . . . . . A . 20 CYS O . . . . . . . . . rr_2mix 1
. 5 . 1454 . 1 1 20 CYS SG S -8.847 -1.669 4.011 . . . 1.0 . . . . . . . . . . . . A . 20 CYS SG . . . . . . . . . rr_2mix 1
. 5 . 1455 . 1 1 21 CYS C C -12.651 2.282 -1.159 . . . 1.0 . . . . . . . . . . . . A . 21 CYS C . . . . . . . . . rr_2mix 1
. 5 . 1456 . 1 1 21 CYS CA C -11.878 2.655 0.101 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CA . . . . . . . . . rr_2mix 1
. 5 . 1457 . 1 1 21 CYS CB C -11.001 3.885 -0.170 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CB . . . . . . . . . rr_2mix 1
. 5 . 1458 . 1 1 21 CYS H H -10.539 1.043 -0.140 . . . 1.0 . . . . . . . . . . . . A . 21 CYS H . . . . . . . . . rr_2mix 1
. 5 . 1459 . 1 1 21 CYS HA H -12.581 2.884 0.889 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HA . . . . . . . . . rr_2mix 1
. 5 . 1460 . 1 1 21 CYS HB2 H -10.195 3.597 -0.820 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB2 . . . . . . . . . rr_2mix 1
. 5 . 1461 . 1 1 21 CYS HB3 H -11.598 4.639 -0.661 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB3 . . . . . . . . . rr_2mix 1
. 5 . 1462 . 1 1 21 CYS N N -11.075 1.520 0.528 . . . 1.0 . . . . . . . . . . . . A . 21 CYS N . . . . . . . . . rr_2mix 1
. 5 . 1463 . 1 1 21 CYS O O -12.203 2.648 -2.266 . . . 1.0 . . . . . . . . . . . . A . 21 CYS O . . . . . . . . . rr_2mix 1
. 5 . 1464 . 1 1 21 CYS OXT O -13.683 1.593 -1.039 . . . 1.0 . . . . . . . . . . . . A . 21 CYS OXT . . . . . . . . . rr_2mix 1
. 5 . 1465 . 1 1 21 CYS SG S -10.256 4.649 1.311 . . . 1.0 . . . . . . . . . . . . A . 21 CYS SG . . . . . . . . . rr_2mix 1
. 6 . 1466 . 1 1 1 THR C C -0.898 -4.903 0.377 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . rr_2mix 1
. 6 . 1467 . 1 1 1 THR CA C 0.091 -6.056 0.540 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . rr_2mix 1
. 6 . 1468 . 1 1 1 THR CB C 0.127 -6.901 -0.748 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . rr_2mix 1
. 6 . 1469 . 1 1 1 THR CG2 C 0.689 -6.101 -1.913 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . rr_2mix 1
. 6 . 1470 . 1 1 1 THR H1 H -0.218 -6.342 2.577 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . rr_2mix 1
. 6 . 1471 . 1 1 1 THR H2 H 0.367 -7.706 1.769 . . . 1.0 . . . . . . . . . . . . A . 1 THR H2 . . . . . . . . . rr_2mix 1
. 6 . 1472 . 1 1 1 THR H3 H -1.247 -7.248 1.590 . . . 1.0 . . . . . . . . . . . . A . 1 THR H3 . . . . . . . . . rr_2mix 1
. 6 . 1473 . 1 1 1 THR HA H 1.076 -5.649 0.710 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . rr_2mix 1
. 6 . 1474 . 1 1 1 THR HB H -0.881 -7.202 -0.991 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . rr_2mix 1
. 6 . 1475 . 1 1 1 THR HG1 H 1.526 -8.191 -1.286 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . rr_2mix 1
. 6 . 1476 . 1 1 1 THR HG21 H 0.073 -5.231 -2.083 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . rr_2mix 1
. 6 . 1477 . 1 1 1 THR HG22 H 0.697 -6.715 -2.802 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . rr_2mix 1
. 6 . 1478 . 1 1 1 THR HG23 H 1.697 -5.789 -1.684 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . rr_2mix 1
. 6 . 1479 . 1 1 1 THR N N -0.276 -6.894 1.699 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . rr_2mix 1
. 6 . 1480 . 1 1 1 THR O O -0.542 -3.743 0.547 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . rr_2mix 1
. 6 . 1481 . 1 1 1 THR OG1 O 0.928 -8.072 -0.536 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . rr_2mix 1
. 6 . 1482 . 1 1 2 ARG C C -3.749 -3.709 1.204 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2mix 1
. 6 . 1483 . 1 1 2 ARG CA C -3.215 -4.278 -0.121 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2mix 1
. 6 . 1484 . 1 1 2 ARG CB C -4.327 -4.975 -0.892 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2mix 1
. 6 . 1485 . 1 1 2 ARG CD C -6.250 -4.798 -2.411 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2mix 1
. 6 . 1486 . 1 1 2 ARG CG C -5.359 -4.053 -1.477 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2mix 1
. 6 . 1487 . 1 1 2 ARG CZ C -8.452 -5.859 -2.049 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2mix 1
. 6 . 1488 . 1 1 2 ARG H H -2.366 -6.187 -0.073 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2mix 1
. 6 . 1489 . 1 1 2 ARG HA H -2.829 -3.468 -0.717 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2mix 1
. 6 . 1490 . 1 1 2 ARG HB2 H -3.887 -5.540 -1.699 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2mix 1
. 6 . 1491 . 1 1 2 ARG HB3 H -4.830 -5.653 -0.230 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2mix 1
. 6 . 1492 . 1 1 2 ARG HD2 H -6.805 -4.096 -3.014 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2mix 1
. 6 . 1493 . 1 1 2 ARG HD3 H -5.611 -5.386 -3.027 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2mix 1
. 6 . 1494 . 1 1 2 ARG HE H -6.833 -6.153 -0.910 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2mix 1
. 6 . 1495 . 1 1 2 ARG HG2 H -5.956 -3.642 -0.685 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2mix 1
. 6 . 1496 . 1 1 2 ARG HG3 H -4.860 -3.269 -2.012 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2mix 1
. 6 . 1497 . 1 1 2 ARG HH11 H -8.360 -4.675 -3.691 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2mix 1
. 6 . 1498 . 1 1 2 ARG HH12 H -9.906 -5.401 -3.388 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2mix 1
. 6 . 1499 . 1 1 2 ARG HH21 H -8.858 -7.112 -0.509 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2mix 1
. 6 . 1500 . 1 1 2 ARG HH22 H -10.191 -6.783 -1.571 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2mix 1
. 6 . 1501 . 1 1 2 ARG N N -2.146 -5.240 0.073 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2mix 1
. 6 . 1502 . 1 1 2 ARG NE N -7.179 -5.678 -1.702 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2mix 1
. 6 . 1503 . 1 1 2 ARG NH1 N -8.944 -5.263 -3.128 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2mix 1
. 6 . 1504 . 1 1 2 ARG NH2 N -9.229 -6.649 -1.319 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2mix 1
. 6 . 1505 . 1 1 2 ARG O O -4.934 -3.400 1.309 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2mix 1
. 6 . 1506 . 1 1 3 ILE C C -4.015 -1.879 3.598 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_2mix 1
. 6 . 1507 . 1 1 3 ILE CA C -3.317 -3.237 3.573 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_2mix 1
. 6 . 1508 . 1 1 3 ILE CB C -2.107 -3.183 4.528 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_2mix 1
. 6 . 1509 . 1 1 3 ILE CD1 C 0.452 -3.178 4.553 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_2mix 1
. 6 . 1510 . 1 1 3 ILE CG1 C -0.815 -3.377 3.746 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_2mix 1
. 6 . 1511 . 1 1 3 ILE CG2 C -2.236 -4.233 5.607 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_2mix 1
. 6 . 1512 . 1 1 3 ILE H H -1.953 -3.811 2.059 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_2mix 1
. 6 . 1513 . 1 1 3 ILE HA H -3.997 -3.981 3.937 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_2mix 1
. 6 . 1514 . 1 1 3 ILE HB H -2.091 -2.214 4.997 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_2mix 1
. 6 . 1515 . 1 1 3 ILE HD11 H 1.312 -3.227 3.894 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_2mix 1
. 6 . 1516 . 1 1 3 ILE HD12 H 0.527 -3.950 5.304 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_2mix 1
. 6 . 1517 . 1 1 3 ILE HD13 H 0.424 -2.210 5.032 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_2mix 1
. 6 . 1518 . 1 1 3 ILE HG12 H -0.801 -4.378 3.345 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_2mix 1
. 6 . 1519 . 1 1 3 ILE HG13 H -0.810 -2.675 2.934 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_2mix 1
. 6 . 1520 . 1 1 3 ILE HG21 H -1.374 -4.182 6.253 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_2mix 1
. 6 . 1521 . 1 1 3 ILE HG22 H -2.289 -5.207 5.150 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_2mix 1
. 6 . 1522 . 1 1 3 ILE HG23 H -3.130 -4.050 6.182 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_2mix 1
. 6 . 1523 . 1 1 3 ILE N N -2.894 -3.628 2.223 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_2mix 1
. 6 . 1524 . 1 1 3 ILE O O -3.401 -0.841 3.825 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_2mix 1
. 6 . 1525 . 1 1 4 CYS C C -5.752 0.376 2.618 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2mix 1
. 6 . 1526 . 1 1 4 CYS CA C -6.239 -0.806 3.459 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2mix 1
. 6 . 1527 . 1 1 4 CYS CB C -6.592 -0.323 4.860 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2mix 1
. 6 . 1528 . 1 1 4 CYS H H -5.710 -2.853 3.422 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2mix 1
. 6 . 1529 . 1 1 4 CYS HA H -7.145 -1.159 3.003 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2mix 1
. 6 . 1530 . 1 1 4 CYS HB2 H -6.056 -0.908 5.592 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2mix 1
. 6 . 1531 . 1 1 4 CYS HB3 H -6.317 0.722 4.951 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2mix 1
. 6 . 1532 . 1 1 4 CYS N N -5.327 -1.957 3.500 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2mix 1
. 6 . 1533 . 1 1 4 CYS O O -4.750 0.315 1.917 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2mix 1
. 6 . 1534 . 1 1 4 CYS SG S -8.370 -0.456 5.211 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2mix 1
. 6 . 1535 . 1 1 5 CYS C C -5.314 3.586 2.877 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_2mix 1
. 6 . 1536 . 1 1 5 CYS CA C -6.150 2.677 1.995 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_2mix 1
. 6 . 1537 . 1 1 5 CYS CB C -7.428 3.401 1.603 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_2mix 1
. 6 . 1538 . 1 1 5 CYS H H -7.315 1.439 3.233 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_2mix 1
. 6 . 1539 . 1 1 5 CYS HA H -5.599 2.417 1.112 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_2mix 1
. 6 . 1540 . 1 1 5 CYS HB2 H -7.965 3.638 2.502 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_2mix 1
. 6 . 1541 . 1 1 5 CYS HB3 H -7.177 4.312 1.081 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_2mix 1
. 6 . 1542 . 1 1 5 CYS N N -6.484 1.467 2.713 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_2mix 1
. 6 . 1543 . 1 1 5 CYS O O -5.264 3.418 4.097 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_2mix 1
. 6 . 1544 . 1 1 5 CYS SG S -8.538 2.430 0.537 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_2mix 1
. 6 . 1545 . 1 1 6 GLY C C -2.333 5.183 2.298 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . rr_2mix 1
. 6 . 1546 . 1 1 6 GLY CA C -3.679 5.341 2.941 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . rr_2mix 1
. 6 . 1547 . 1 1 6 GLY H H -4.791 4.666 1.285 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . rr_2mix 1
. 6 . 1548 . 1 1 6 GLY HA2 H -3.977 6.375 2.900 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . rr_2mix 1
. 6 . 1549 . 1 1 6 GLY HA3 H -3.618 5.026 3.971 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . rr_2mix 1
. 6 . 1550 . 1 1 6 GLY N N -4.645 4.529 2.249 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . rr_2mix 1
. 6 . 1551 . 1 1 6 GLY O O -2.196 5.373 1.090 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . rr_2mix 1
. 6 . 1552 . 1 1 7 CYS C C 0.689 3.535 3.457 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_2mix 1
. 6 . 1553 . 1 1 7 CYS CA C -0.048 4.490 2.535 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_2mix 1
. 6 . 1554 . 1 1 7 CYS CB C 0.777 5.751 2.307 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_2mix 1
. 6 . 1555 . 1 1 7 CYS H H -1.492 4.760 4.048 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_2mix 1
. 6 . 1556 . 1 1 7 CYS HA H -0.204 3.999 1.586 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_2mix 1
. 6 . 1557 . 1 1 7 CYS HB2 H 0.127 6.553 1.990 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_2mix 1
. 6 . 1558 . 1 1 7 CYS HB3 H 1.254 6.022 3.233 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_2mix 1
. 6 . 1559 . 1 1 7 CYS N N -1.346 4.812 3.081 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_2mix 1
. 6 . 1560 . 1 1 7 CYS O O 0.772 3.755 4.667 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_2mix 1
. 6 . 1561 . 1 1 7 CYS SG S 2.081 5.555 1.051 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_2mix 1
. 6 . 1562 . 1 1 8 TYR C C 3.218 1.088 2.959 . . . 1.0 . . . . . . . . . . . . A . 8 TYR C . . . . . . . . . rr_2mix 1
. 6 . 1563 . 1 1 8 TYR CA C 1.889 1.429 3.614 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CA . . . . . . . . . rr_2mix 1
. 6 . 1564 . 1 1 8 TYR CB C 1.010 0.175 3.678 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CB . . . . . . . . . rr_2mix 1
. 6 . 1565 . 1 1 8 TYR CD1 C 1.030 -0.381 1.203 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD1 . . . . . . . . . rr_2mix 1
. 6 . 1566 . 1 1 8 TYR CD2 C -1.061 -0.325 2.329 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD2 . . . . . . . . . rr_2mix 1
. 6 . 1567 . 1 1 8 TYR CE1 C 0.391 -0.707 0.022 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE1 . . . . . . . . . rr_2mix 1
. 6 . 1568 . 1 1 8 TYR CE2 C -1.708 -0.651 1.155 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE2 . . . . . . . . . rr_2mix 1
. 6 . 1569 . 1 1 8 TYR CG C 0.315 -0.184 2.377 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CG . . . . . . . . . rr_2mix 1
. 6 . 1570 . 1 1 8 TYR CZ C -0.979 -0.839 0.006 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CZ . . . . . . . . . rr_2mix 1
. 6 . 1571 . 1 1 8 TYR H H 1.153 2.396 1.902 . . . 1.0 . . . . . . . . . . . . A . 8 TYR H . . . . . . . . . rr_2mix 1
. 6 . 1572 . 1 1 8 TYR HA H 2.068 1.788 4.614 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HA . . . . . . . . . rr_2mix 1
. 6 . 1573 . 1 1 8 TYR HB2 H 1.630 -0.660 3.946 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB2 . . . . . . . . . rr_2mix 1
. 6 . 1574 . 1 1 8 TYR HB3 H 0.251 0.311 4.436 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB3 . . . . . . . . . rr_2mix 1
. 6 . 1575 . 1 1 8 TYR HD1 H 2.104 -0.277 1.225 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD1 . . . . . . . . . rr_2mix 1
. 6 . 1576 . 1 1 8 TYR HD2 H -1.638 -0.192 3.236 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD2 . . . . . . . . . rr_2mix 1
. 6 . 1577 . 1 1 8 TYR HE1 H 0.964 -0.855 -0.880 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE1 . . . . . . . . . rr_2mix 1
. 6 . 1578 . 1 1 8 TYR HE2 H -2.784 -0.757 1.144 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE2 . . . . . . . . . rr_2mix 1
. 6 . 1579 . 1 1 8 TYR HH H -1.173 -1.917 -1.575 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HH . . . . . . . . . rr_2mix 1
. 6 . 1580 . 1 1 8 TYR N N 1.213 2.476 2.873 . . . 1.0 . . . . . . . . . . . . A . 8 TYR N . . . . . . . . . rr_2mix 1
. 6 . 1581 . 1 1 8 TYR O O 3.416 1.359 1.776 . . . 1.0 . . . . . . . . . . . . A . 8 TYR O . . . . . . . . . rr_2mix 1
. 6 . 1582 . 1 1 8 TYR OH O -1.625 -1.172 -1.162 . . . 1.0 . . . . . . . . . . . . A . 8 TYR OH . . . . . . . . . rr_2mix 1
. 6 . 1583 . 1 1 9 TRP C C 5.155 -1.346 2.528 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_2mix 1
. 6 . 1584 . 1 1 9 TRP CA C 5.373 0.024 3.150 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_2mix 1
. 6 . 1585 . 1 1 9 TRP CB C 6.492 -0.044 4.196 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_2mix 1
. 6 . 1586 . 1 1 9 TRP CD1 C 8.203 -1.778 3.415 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_2mix 1
. 6 . 1587 . 1 1 9 TRP CD2 C 8.858 0.340 3.124 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_2mix 1
. 6 . 1588 . 1 1 9 TRP CE2 C 9.867 -0.513 2.642 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_2mix 1
. 6 . 1589 . 1 1 9 TRP CE3 C 9.054 1.721 3.046 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_2mix 1
. 6 . 1590 . 1 1 9 TRP CG C 7.797 -0.491 3.608 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_2mix 1
. 6 . 1591 . 1 1 9 TRP CH2 C 11.212 1.325 2.030 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_2mix 1
. 6 . 1592 . 1 1 9 TRP CZ2 C 11.050 -0.030 2.091 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_2mix 1
. 6 . 1593 . 1 1 9 TRP CZ3 C 10.228 2.196 2.501 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_2mix 1
. 6 . 1594 . 1 1 9 TRP H H 3.949 0.368 4.675 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_2mix 1
. 6 . 1595 . 1 1 9 TRP HA H 5.663 0.714 2.371 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_2mix 1
. 6 . 1596 . 1 1 9 TRP HB2 H 6.636 0.931 4.631 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_2mix 1
. 6 . 1597 . 1 1 9 TRP HB3 H 6.215 -0.744 4.971 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_2mix 1
. 6 . 1598 . 1 1 9 TRP HD1 H 7.616 -2.642 3.680 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_2mix 1
. 6 . 1599 . 1 1 9 TRP HE1 H 9.936 -2.614 2.569 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_2mix 1
. 6 . 1600 . 1 1 9 TRP HE3 H 8.308 2.411 3.402 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_2mix 1
. 6 . 1601 . 1 1 9 TRP HH2 H 12.113 1.744 1.615 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_2mix 1
. 6 . 1602 . 1 1 9 TRP HZ2 H 11.820 -0.689 1.721 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_2mix 1
. 6 . 1603 . 1 1 9 TRP HZ3 H 10.396 3.258 2.434 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_2mix 1
. 6 . 1604 . 1 1 9 TRP N N 4.127 0.500 3.720 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_2mix 1
. 6 . 1605 . 1 1 9 TRP NE1 N 9.437 -1.801 2.824 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_2mix 1
. 6 . 1606 . 1 1 9 TRP O O 5.281 -2.376 3.191 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_2mix 1
. 6 . 1607 . 1 1 10 ASN C C 5.956 -3.059 -0.042 . . . 1.0 . . . . . . . . . . . . A . 10 ASN C . . . . . . . . . rr_2mix 1
. 6 . 1608 . 1 1 10 ASN CA C 4.621 -2.593 0.532 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CA . . . . . . . . . rr_2mix 1
. 6 . 1609 . 1 1 10 ASN CB C 3.595 -2.417 -0.589 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CB . . . . . . . . . rr_2mix 1
. 6 . 1610 . 1 1 10 ASN CG C 3.349 -3.698 -1.364 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CG . . . . . . . . . rr_2mix 1
. 6 . 1611 . 1 1 10 ASN H H 4.604 -0.502 0.815 . . . 1.0 . . . . . . . . . . . . A . 10 ASN H . . . . . . . . . rr_2mix 1
. 6 . 1612 . 1 1 10 ASN HA H 4.260 -3.341 1.223 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HA . . . . . . . . . rr_2mix 1
. 6 . 1613 . 1 1 10 ASN HB2 H 2.658 -2.094 -0.162 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB2 . . . . . . . . . rr_2mix 1
. 6 . 1614 . 1 1 10 ASN HB3 H 3.951 -1.664 -1.277 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB3 . . . . . . . . . rr_2mix 1
. 6 . 1615 . 1 1 10 ASN HD21 H 2.950 -2.654 -3.004 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD21 . . . . . . . . . rr_2mix 1
. 6 . 1616 . 1 1 10 ASN HD22 H 2.852 -4.371 -3.163 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD22 . . . . . . . . . rr_2mix 1
. 6 . 1617 . 1 1 10 ASN N N 4.785 -1.353 1.264 . . . 1.0 . . . . . . . . . . . . A . 10 ASN N . . . . . . . . . rr_2mix 1
. 6 . 1618 . 1 1 10 ASN ND2 N 3.016 -3.562 -2.637 . . . 1.0 . . . . . . . . . . . . A . 10 ASN ND2 . . . . . . . . . rr_2mix 1
. 6 . 1619 . 1 1 10 ASN O O 6.328 -2.695 -1.160 . . . 1.0 . . . . . . . . . . . . A . 10 ASN O . . . . . . . . . rr_2mix 1
. 6 . 1620 . 1 1 10 ASN OD1 O 3.453 -4.799 -0.824 . . . 1.0 . . . . . . . . . . . . A . 10 ASN OD1 . . . . . . . . . rr_2mix 1
. 6 . 1621 . 1 1 11 GLY C C 9.070 -3.586 0.063 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2mix 1
. 6 . 1622 . 1 1 11 GLY CA C 7.885 -4.504 0.287 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2mix 1
. 6 . 1623 . 1 1 11 GLY H H 6.384 -3.973 1.679 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2mix 1
. 6 . 1624 . 1 1 11 GLY HA2 H 8.167 -5.243 1.019 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2mix 1
. 6 . 1625 . 1 1 11 GLY HA3 H 7.663 -5.006 -0.637 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2mix 1
. 6 . 1626 . 1 1 11 GLY N N 6.679 -3.840 0.751 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2mix 1
. 6 . 1627 . 1 1 11 GLY O O 10.009 -3.578 0.855 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2mix 1
. 6 . 1628 . 1 1 12 SER C C 10.007 -0.554 -1.207 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . rr_2mix 1
. 6 . 1629 . 1 1 12 SER CA C 10.195 -2.051 -1.437 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . rr_2mix 1
. 6 . 1630 . 1 1 12 SER CB C 10.478 -2.313 -2.912 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . rr_2mix 1
. 6 . 1631 . 1 1 12 SER H H 8.224 -2.798 -1.565 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . rr_2mix 1
. 6 . 1632 . 1 1 12 SER HA H 11.041 -2.387 -0.860 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . rr_2mix 1
. 6 . 1633 . 1 1 12 SER HB2 H 9.650 -1.953 -3.505 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . rr_2mix 1
. 6 . 1634 . 1 1 12 SER HB3 H 11.376 -1.794 -3.199 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . rr_2mix 1
. 6 . 1635 . 1 1 12 SER HG H 10.697 -4.174 -2.319 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . rr_2mix 1
. 6 . 1636 . 1 1 12 SER N N 9.042 -2.828 -1.023 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . rr_2mix 1
. 6 . 1637 . 1 1 12 SER O O 10.980 0.199 -1.196 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . rr_2mix 1
. 6 . 1638 . 1 1 12 SER OG O 10.649 -3.699 -3.161 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . rr_2mix 1
. 6 . 1639 . 1 1 13 LYS C C 7.133 1.536 -0.270 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mix 1
. 6 . 1640 . 1 1 13 LYS CA C 8.497 1.311 -0.894 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mix 1
. 6 . 1641 . 1 1 13 LYS CB C 8.539 1.979 -2.271 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mix 1
. 6 . 1642 . 1 1 13 LYS CD C 8.891 4.078 -3.615 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mix 1
. 6 . 1643 . 1 1 13 LYS CE C 7.769 3.688 -4.568 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mix 1
. 6 . 1644 . 1 1 13 LYS CG C 8.689 3.493 -2.228 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mix 1
. 6 . 1645 . 1 1 13 LYS H H 8.028 -0.756 -0.972 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mix 1
. 6 . 1646 . 1 1 13 LYS HA H 9.254 1.746 -0.264 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mix 1
. 6 . 1647 . 1 1 13 LYS HB2 H 9.364 1.572 -2.830 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mix 1
. 6 . 1648 . 1 1 13 LYS HB3 H 7.616 1.751 -2.783 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mix 1
. 6 . 1649 . 1 1 13 LYS HD2 H 8.923 5.155 -3.538 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mix 1
. 6 . 1650 . 1 1 13 LYS HD3 H 9.829 3.717 -4.007 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mix 1
. 6 . 1651 . 1 1 13 LYS HE2 H 7.742 2.613 -4.652 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mix 1
. 6 . 1652 . 1 1 13 LYS HE3 H 6.832 4.042 -4.164 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mix 1
. 6 . 1653 . 1 1 13 LYS HG2 H 7.800 3.922 -1.793 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mix 1
. 6 . 1654 . 1 1 13 LYS HG3 H 9.545 3.740 -1.622 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mix 1
. 6 . 1655 . 1 1 13 LYS HZ1 H 7.223 3.934 -6.566 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mix 1
. 6 . 1656 . 1 1 13 LYS HZ2 H 8.893 3.992 -6.301 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . rr_2mix 1
. 6 . 1657 . 1 1 13 LYS HZ3 H 7.923 5.309 -5.873 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mix 1
. 6 . 1658 . 1 1 13 LYS N N 8.769 -0.114 -1.026 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mix 1
. 6 . 1659 . 1 1 13 LYS NZ N 7.965 4.271 -5.921 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mix 1
. 6 . 1660 . 1 1 13 LYS O O 6.327 0.611 -0.167 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mix 1
. 6 . 1661 . 1 1 14 ASP C C 4.651 3.399 -0.543 . . . 1.0 . . . . . . . . . . . . A . 14 ASP C . . . . . . . . . rr_2mix 1
. 6 . 1662 . 1 1 14 ASP CA C 5.575 3.146 0.641 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CA . . . . . . . . . rr_2mix 1
. 6 . 1663 . 1 1 14 ASP CB C 5.654 4.379 1.561 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CB . . . . . . . . . rr_2mix 1
. 6 . 1664 . 1 1 14 ASP CG C 6.063 5.653 0.844 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CG . . . . . . . . . rr_2mix 1
. 6 . 1665 . 1 1 14 ASP H H 7.596 3.440 0.105 . . . 1.0 . . . . . . . . . . . . A . 14 ASP H . . . . . . . . . rr_2mix 1
. 6 . 1666 . 1 1 14 ASP HA H 5.184 2.312 1.206 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HA . . . . . . . . . rr_2mix 1
. 6 . 1667 . 1 1 14 ASP HB2 H 4.686 4.543 2.008 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB2 . . . . . . . . . rr_2mix 1
. 6 . 1668 . 1 1 14 ASP HB3 H 6.374 4.184 2.343 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB3 . . . . . . . . . rr_2mix 1
. 6 . 1669 . 1 1 14 ASP N N 6.883 2.766 0.147 . . . 1.0 . . . . . . . . . . . . A . 14 ASP N . . . . . . . . . rr_2mix 1
. 6 . 1670 . 1 1 14 ASP O O 4.888 4.288 -1.362 . . . 1.0 . . . . . . . . . . . . A . 14 ASP O . . . . . . . . . rr_2mix 1
. 6 . 1671 . 1 1 14 ASP OD1 O 7.162 5.685 0.252 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD1 . . . . . . . . . rr_2mix 1
. 6 . 1672 . 1 1 14 ASP OD2 O 5.287 6.635 0.877 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD2 . . . . . . . . . rr_2mix 1
. 6 . 1673 . 1 1 15 VAL C C 1.349 3.108 -1.283 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . rr_2mix 1
. 6 . 1674 . 1 1 15 VAL CA C 2.710 2.650 -1.768 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . rr_2mix 1
. 6 . 1675 . 1 1 15 VAL CB C 2.579 1.291 -2.490 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . rr_2mix 1
. 6 . 1676 . 1 1 15 VAL CG1 C 1.713 1.428 -3.733 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . rr_2mix 1
. 6 . 1677 . 1 1 15 VAL CG2 C 3.951 0.738 -2.851 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . rr_2mix 1
. 6 . 1678 . 1 1 15 VAL H H 3.457 1.930 0.058 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . rr_2mix 1
. 6 . 1679 . 1 1 15 VAL HA H 3.095 3.376 -2.470 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . rr_2mix 1
. 6 . 1680 . 1 1 15 VAL HB H 2.099 0.596 -1.819 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . rr_2mix 1
. 6 . 1681 . 1 1 15 VAL HG11 H 0.722 1.746 -3.448 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . rr_2mix 1
. 6 . 1682 . 1 1 15 VAL HG12 H 1.655 0.475 -4.238 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . rr_2mix 1
. 6 . 1683 . 1 1 15 VAL HG13 H 2.149 2.160 -4.397 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . rr_2mix 1
. 6 . 1684 . 1 1 15 VAL HG21 H 4.532 0.606 -1.951 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . rr_2mix 1
. 6 . 1685 . 1 1 15 VAL HG22 H 4.457 1.430 -3.509 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . rr_2mix 1
. 6 . 1686 . 1 1 15 VAL HG23 H 3.836 -0.213 -3.348 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . rr_2mix 1
. 6 . 1687 . 1 1 15 VAL N N 3.623 2.583 -0.651 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . rr_2mix 1
. 6 . 1688 . 1 1 15 VAL O O 0.643 2.381 -0.584 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . rr_2mix 1
. 6 . 1689 . 1 1 16 CYS C C -1.296 4.660 -2.302 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_2mix 1
. 6 . 1690 . 1 1 16 CYS CA C -0.242 4.912 -1.222 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_2mix 1
. 6 . 1691 . 1 1 16 CYS CB C -0.049 6.409 -1.015 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_2mix 1
. 6 . 1692 . 1 1 16 CYS H H 1.653 4.885 -2.098 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_2mix 1
. 6 . 1693 . 1 1 16 CYS HA H -0.558 4.459 -0.298 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_2mix 1
. 6 . 1694 . 1 1 16 CYS HB2 H -0.209 6.918 -1.952 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_2mix 1
. 6 . 1695 . 1 1 16 CYS HB3 H -0.769 6.746 -0.307 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_2mix 1
. 6 . 1696 . 1 1 16 CYS N N 1.016 4.333 -1.613 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_2mix 1
. 6 . 1697 . 1 1 16 CYS O O -1.116 5.053 -3.459 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_2mix 1
. 6 . 1698 . 1 1 16 CYS SG S 1.604 6.900 -0.399 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_2mix 1
. 6 . 1699 . 1 1 17 SER C C -4.726 3.263 -2.168 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . rr_2mix 1
. 6 . 1700 . 1 1 17 SER CA C -3.423 3.624 -2.880 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . rr_2mix 1
. 6 . 1701 . 1 1 17 SER CB C -2.928 2.440 -3.718 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . rr_2mix 1
. 6 . 1702 . 1 1 17 SER H H -2.518 3.787 -0.975 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . rr_2mix 1
. 6 . 1703 . 1 1 17 SER HA H -3.603 4.465 -3.532 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . rr_2mix 1
. 6 . 1704 . 1 1 17 SER HB2 H -3.755 2.023 -4.272 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . rr_2mix 1
. 6 . 1705 . 1 1 17 SER HB3 H -2.171 2.785 -4.411 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . rr_2mix 1
. 6 . 1706 . 1 1 17 SER HG H -3.011 1.153 -2.231 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . rr_2mix 1
. 6 . 1707 . 1 1 17 SER N N -2.394 4.011 -1.923 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . rr_2mix 1
. 6 . 1708 . 1 1 17 SER O O -4.742 3.049 -0.953 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . rr_2mix 1
. 6 . 1709 . 1 1 17 SER OG O -2.368 1.423 -2.901 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . rr_2mix 1
. 6 . 1710 . 1 1 18 GLN C C -7.277 1.343 -2.365 . . . 1.0 . . . . . . . . . . . . A . 18 GLN C . . . . . . . . . rr_2mix 1
. 6 . 1711 . 1 1 18 GLN CA C -7.120 2.859 -2.383 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CA . . . . . . . . . rr_2mix 1
. 6 . 1712 . 1 1 18 GLN CB C -8.252 3.499 -3.202 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CB . . . . . . . . . rr_2mix 1
. 6 . 1713 . 1 1 18 GLN CD C -7.212 5.775 -3.707 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CD . . . . . . . . . rr_2mix 1
. 6 . 1714 . 1 1 18 GLN CG C -8.364 5.010 -3.075 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CG . . . . . . . . . rr_2mix 1
. 6 . 1715 . 1 1 18 GLN H H -5.737 3.388 -3.892 . . . 1.0 . . . . . . . . . . . . A . 18 GLN H . . . . . . . . . rr_2mix 1
. 6 . 1716 . 1 1 18 GLN HA H -7.164 3.224 -1.363 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HA . . . . . . . . . rr_2mix 1
. 6 . 1717 . 1 1 18 GLN HB2 H -8.110 3.259 -4.244 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB2 . . . . . . . . . rr_2mix 1
. 6 . 1718 . 1 1 18 GLN HB3 H -9.185 3.079 -2.874 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB3 . . . . . . . . . rr_2mix 1
. 6 . 1719 . 1 1 18 GLN HE21 H -6.246 5.835 -1.971 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE21 . . . . . . . . . rr_2mix 1
. 6 . 1720 . 1 1 18 GLN HE22 H -5.450 6.599 -3.304 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE22 . . . . . . . . . rr_2mix 1
. 6 . 1721 . 1 1 18 GLN HG2 H -9.281 5.327 -3.551 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG2 . . . . . . . . . rr_2mix 1
. 6 . 1722 . 1 1 18 GLN HG3 H -8.409 5.248 -2.028 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG3 . . . . . . . . . rr_2mix 1
. 6 . 1723 . 1 1 18 GLN N N -5.816 3.206 -2.930 . . . 1.0 . . . . . . . . . . . . A . 18 GLN N . . . . . . . . . rr_2mix 1
. 6 . 1724 . 1 1 18 GLN NE2 N -6.202 6.101 -2.916 . . . 1.0 . . . . . . . . . . . . A . 18 GLN NE2 . . . . . . . . . rr_2mix 1
. 6 . 1725 . 1 1 18 GLN O O -7.951 0.758 -3.211 . . . 1.0 . . . . . . . . . . . . A . 18 GLN O . . . . . . . . . rr_2mix 1
. 6 . 1726 . 1 1 18 GLN OE1 O -7.242 6.093 -4.895 . . . 1.0 . . . . . . . . . . . . A . 18 GLN OE1 . . . . . . . . . rr_2mix 1
. 6 . 1727 . 1 1 19 SER C C -7.799 -1.346 -0.627 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_2mix 1
. 6 . 1728 . 1 1 19 SER CA C -6.558 -0.712 -1.278 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_2mix 1
. 6 . 1729 . 1 1 19 SER CB C -5.287 -1.015 -0.509 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_2mix 1
. 6 . 1730 . 1 1 19 SER H H -6.214 1.278 -0.691 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_2mix 1
. 6 . 1731 . 1 1 19 SER HA H -6.451 -1.125 -2.273 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_2mix 1
. 6 . 1732 . 1 1 19 SER HB2 H -5.415 -0.715 0.516 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_2mix 1
. 6 . 1733 . 1 1 19 SER HB3 H -5.070 -2.067 -0.555 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_2mix 1
. 6 . 1734 . 1 1 19 SER HG H -3.371 -0.769 -0.903 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_2mix 1
. 6 . 1735 . 1 1 19 SER N N -6.653 0.731 -1.379 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_2mix 1
. 6 . 1736 . 1 1 19 SER O O -8.241 -2.408 -1.057 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_2mix 1
. 6 . 1737 . 1 1 19 SER OG O -4.199 -0.293 -1.070 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_2mix 1
. 6 . 1738 . 1 1 20 CYS C C -10.806 -0.383 0.707 . . . 1.0 . . . . . . . . . . . . A . 20 CYS C . . . . . . . . . rr_2mix 1
. 6 . 1739 . 1 1 20 CYS CA C -9.594 -1.252 1.014 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CA . . . . . . . . . rr_2mix 1
. 6 . 1740 . 1 1 20 CYS CB C -9.460 -1.422 2.534 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CB . . . . . . . . . rr_2mix 1
. 6 . 1741 . 1 1 20 CYS H H -7.999 0.133 0.724 . . . 1.0 . . . . . . . . . . . . A . 20 CYS H . . . . . . . . . rr_2mix 1
. 6 . 1742 . 1 1 20 CYS HA H -9.755 -2.217 0.580 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HA . . . . . . . . . rr_2mix 1
. 6 . 1743 . 1 1 20 CYS HB2 H -10.362 -1.882 2.909 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB2 . . . . . . . . . rr_2mix 1
. 6 . 1744 . 1 1 20 CYS HB3 H -8.627 -2.072 2.744 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB3 . . . . . . . . . rr_2mix 1
. 6 . 1745 . 1 1 20 CYS N N -8.377 -0.707 0.396 . . . 1.0 . . . . . . . . . . . . A . 20 CYS N . . . . . . . . . rr_2mix 1
. 6 . 1746 . 1 1 20 CYS O O -11.834 -0.469 1.381 . . . 1.0 . . . . . . . . . . . . A . 20 CYS O . . . . . . . . . rr_2mix 1
. 6 . 1747 . 1 1 20 CYS SG S -9.220 0.131 3.460 . . . 1.0 . . . . . . . . . . . . A . 20 CYS SG . . . . . . . . . rr_2mix 1
. 6 . 1748 . 1 1 21 CYS C C -12.369 0.896 -2.001 . . . 1.0 . . . . . . . . . . . . A . 21 CYS C . . . . . . . . . rr_2mix 1
. 6 . 1749 . 1 1 21 CYS CA C -11.768 1.345 -0.678 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CA . . . . . . . . . rr_2mix 1
. 6 . 1750 . 1 1 21 CYS CB C -11.257 2.786 -0.780 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CB . . . . . . . . . rr_2mix 1
. 6 . 1751 . 1 1 21 CYS H H -9.858 0.466 -0.825 . . . 1.0 . . . . . . . . . . . . A . 21 CYS H . . . . . . . . . rr_2mix 1
. 6 . 1752 . 1 1 21 CYS HA H -12.524 1.289 0.092 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HA . . . . . . . . . rr_2mix 1
. 6 . 1753 . 1 1 21 CYS HB2 H -10.598 2.865 -1.629 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB2 . . . . . . . . . rr_2mix 1
. 6 . 1754 . 1 1 21 CYS HB3 H -12.098 3.449 -0.922 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB3 . . . . . . . . . rr_2mix 1
. 6 . 1755 . 1 1 21 CYS N N -10.687 0.453 -0.307 . . . 1.0 . . . . . . . . . . . . A . 21 CYS N . . . . . . . . . rr_2mix 1
. 6 . 1756 . 1 1 21 CYS O O -11.999 1.457 -3.048 . . . 1.0 . . . . . . . . . . . . A . 21 CYS O . . . . . . . . . rr_2mix 1
. 6 . 1757 . 1 1 21 CYS OXT O -13.184 -0.052 -1.992 . . . 1.0 . . . . . . . . . . . . A . 21 CYS OXT . . . . . . . . . rr_2mix 1
. 6 . 1758 . 1 1 21 CYS SG S -10.337 3.361 0.690 . . . 1.0 . . . . . . . . . . . . A . 21 CYS SG . . . . . . . . . rr_2mix 1
. 7 . 1759 . 1 1 1 THR C C -0.742 -4.739 -0.628 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . rr_2mix 1
. 7 . 1760 . 1 1 1 THR CA C 0.027 -6.058 -0.584 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . rr_2mix 1
. 7 . 1761 . 1 1 1 THR CB C 0.629 -6.257 0.821 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . rr_2mix 1
. 7 . 1762 . 1 1 1 THR CG2 C -0.458 -6.622 1.820 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . rr_2mix 1
. 7 . 1763 . 1 1 1 THR H1 H 1.600 -6.976 -1.584 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . rr_2mix 1
. 7 . 1764 . 1 1 1 THR H2 H 1.740 -5.294 -1.486 . . . 1.0 . . . . . . . . . . . . A . 1 THR H2 . . . . . . . . . rr_2mix 1
. 7 . 1765 . 1 1 1 THR H3 H 0.642 -5.991 -2.568 . . . 1.0 . . . . . . . . . . . . A . 1 THR H3 . . . . . . . . . rr_2mix 1
. 7 . 1766 . 1 1 1 THR HA H -0.662 -6.867 -0.779 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . rr_2mix 1
. 7 . 1767 . 1 1 1 THR HB H 1.095 -5.334 1.135 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . rr_2mix 1
. 7 . 1768 . 1 1 1 THR HG1 H 1.282 -8.043 0.274 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . rr_2mix 1
. 7 . 1769 . 1 1 1 THR HG21 H -0.021 -6.739 2.800 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . rr_2mix 1
. 7 . 1770 . 1 1 1 THR HG22 H -0.924 -7.549 1.522 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . rr_2mix 1
. 7 . 1771 . 1 1 1 THR HG23 H -1.200 -5.839 1.847 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . rr_2mix 1
. 7 . 1772 . 1 1 1 THR N N 1.074 -6.080 -1.627 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . rr_2mix 1
. 7 . 1773 . 1 1 1 THR O O -0.180 -3.678 -0.387 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . rr_2mix 1
. 7 . 1774 . 1 1 1 THR OG1 O 1.614 -7.300 0.796 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . rr_2mix 1
. 7 . 1775 . 1 1 2 ARG C C -3.370 -3.048 0.208 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2mix 1
. 7 . 1776 . 1 1 2 ARG CA C -2.928 -3.706 -1.120 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2mix 1
. 7 . 1777 . 1 1 2 ARG CB C -4.096 -4.264 -1.931 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2mix 1
. 7 . 1778 . 1 1 2 ARG CD C -6.096 -3.956 -3.301 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2mix 1
. 7 . 1779 . 1 1 2 ARG CG C -5.229 -3.328 -2.250 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2mix 1
. 7 . 1780 . 1 1 2 ARG CZ C -6.017 -4.397 -5.727 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2mix 1
. 7 . 1781 . 1 1 2 ARG H H -2.420 -5.739 -1.022 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2mix 1
. 7 . 1782 . 1 1 2 ARG HA H -2.420 -2.974 -1.716 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2mix 1
. 7 . 1783 . 1 1 2 ARG HB2 H -3.710 -4.631 -2.868 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2mix 1
. 7 . 1784 . 1 1 2 ARG HB3 H -4.508 -5.095 -1.390 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2mix 1
. 7 . 1785 . 1 1 2 ARG HD2 H -6.191 -5.002 -3.048 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2mix 1
. 7 . 1786 . 1 1 2 ARG HD3 H -7.066 -3.484 -3.298 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2mix 1
. 7 . 1787 . 1 1 2 ARG HE H -4.667 -3.333 -4.710 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2mix 1
. 7 . 1788 . 1 1 2 ARG HG2 H -5.807 -3.179 -1.359 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2mix 1
. 7 . 1789 . 1 1 2 ARG HG3 H -4.857 -2.390 -2.603 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2mix 1
. 7 . 1790 . 1 1 2 ARG HH11 H -7.596 -5.240 -4.775 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2mix 1
. 7 . 1791 . 1 1 2 ARG HH12 H -7.523 -5.524 -6.485 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2mix 1
. 7 . 1792 . 1 1 2 ARG HH21 H -4.570 -3.688 -6.951 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2mix 1
. 7 . 1793 . 1 1 2 ARG HH22 H -5.800 -4.634 -7.729 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2mix 1
. 7 . 1794 . 1 1 2 ARG N N -2.031 -4.837 -0.919 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2mix 1
. 7 . 1795 . 1 1 2 ARG NE N -5.501 -3.850 -4.631 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2mix 1
. 7 . 1796 . 1 1 2 ARG NH1 N -7.135 -5.111 -5.657 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2mix 1
. 7 . 1797 . 1 1 2 ARG NH2 N -5.413 -4.228 -6.896 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2mix 1
. 7 . 1798 . 1 1 2 ARG O O -4.434 -2.463 0.279 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2mix 1
. 7 . 1799 . 1 1 3 ILE C C -3.824 -1.585 2.751 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_2mix 1
. 7 . 1800 . 1 1 3 ILE CA C -2.864 -2.773 2.634 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_2mix 1
. 7 . 1801 . 1 1 3 ILE CB C -1.601 -2.447 3.466 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_2mix 1
. 7 . 1802 . 1 1 3 ILE CD1 C 0.758 -3.247 3.996 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_2mix 1
. 7 . 1803 . 1 1 3 ILE CG1 C -0.575 -3.563 3.349 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_2mix 1
. 7 . 1804 . 1 1 3 ILE CG2 C -1.961 -2.237 4.923 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_2mix 1
. 7 . 1805 . 1 1 3 ILE H H -1.627 -3.473 1.056 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_2mix 1
. 7 . 1806 . 1 1 3 ILE HA H -3.334 -3.621 3.077 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_2mix 1
. 7 . 1807 . 1 1 3 ILE HB H -1.174 -1.532 3.089 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_2mix 1
. 7 . 1808 . 1 1 3 ILE HD11 H 0.601 -2.969 5.028 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_2mix 1
. 7 . 1809 . 1 1 3 ILE HD12 H 1.231 -2.431 3.468 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_2mix 1
. 7 . 1810 . 1 1 3 ILE HD13 H 1.393 -4.119 3.952 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_2mix 1
. 7 . 1811 . 1 1 3 ILE HG12 H -0.967 -4.456 3.812 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_2mix 1
. 7 . 1812 . 1 1 3 ILE HG13 H -0.401 -3.748 2.314 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_2mix 1
. 7 . 1813 . 1 1 3 ILE HG21 H -1.068 -2.000 5.480 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_2mix 1
. 7 . 1814 . 1 1 3 ILE HG22 H -2.400 -3.142 5.315 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_2mix 1
. 7 . 1815 . 1 1 3 ILE HG23 H -2.667 -1.426 5.009 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_2mix 1
. 7 . 1816 . 1 1 3 ILE N N -2.522 -3.145 1.239 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_2mix 1
. 7 . 1817 . 1 1 3 ILE O O -3.416 -0.422 2.753 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_2mix 1
. 7 . 1818 . 1 1 4 CYS C C -6.057 0.263 2.219 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2mix 1
. 7 . 1819 . 1 1 4 CYS CA C -6.195 -0.975 3.117 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2mix 1
. 7 . 1820 . 1 1 4 CYS CB C -6.284 -0.533 4.580 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2mix 1
. 7 . 1821 . 1 1 4 CYS H H -5.291 -2.889 2.925 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2mix 1
. 7 . 1822 . 1 1 4 CYS HA H -7.111 -1.484 2.859 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2mix 1
. 7 . 1823 . 1 1 4 CYS HB2 H -5.667 -1.178 5.184 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2mix 1
. 7 . 1824 . 1 1 4 CYS HB3 H -5.921 0.484 4.657 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2mix 1
. 7 . 1825 . 1 1 4 CYS N N -5.090 -1.931 2.931 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2mix 1
. 7 . 1826 . 1 1 4 CYS O O -5.512 0.207 1.117 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2mix 1
. 7 . 1827 . 1 1 4 CYS SG S -7.976 -0.565 5.276 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2mix 1
. 7 . 1828 . 1 1 5 CYS C C -5.324 3.446 2.780 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_2mix 1
. 7 . 1829 . 1 1 5 CYS CA C -6.386 2.652 2.035 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_2mix 1
. 7 . 1830 . 1 1 5 CYS CB C -7.683 3.436 1.996 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_2mix 1
. 7 . 1831 . 1 1 5 CYS H H -7.230 1.312 3.440 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_2mix 1
. 7 . 1832 . 1 1 5 CYS HA H -6.052 2.473 1.030 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_2mix 1
. 7 . 1833 . 1 1 5 CYS HB2 H -8.004 3.610 3.006 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_2mix 1
. 7 . 1834 . 1 1 5 CYS HB3 H -7.520 4.380 1.499 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_2mix 1
. 7 . 1835 . 1 1 5 CYS N N -6.606 1.368 2.679 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_2mix 1
. 7 . 1836 . 1 1 5 CYS O O -5.059 3.197 3.960 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_2mix 1
. 7 . 1837 . 1 1 5 CYS SG S -9.019 2.568 1.128 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_2mix 1
. 7 . 1838 . 1 1 6 GLY C C -2.305 4.836 2.100 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . rr_2mix 1
. 7 . 1839 . 1 1 6 GLY CA C -3.656 5.177 2.678 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . rr_2mix 1
. 7 . 1840 . 1 1 6 GLY H H -4.921 4.495 1.133 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . rr_2mix 1
. 7 . 1841 . 1 1 6 GLY HA2 H -3.867 6.221 2.496 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . rr_2mix 1
. 7 . 1842 . 1 1 6 GLY HA3 H -3.638 5.000 3.742 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . rr_2mix 1
. 7 . 1843 . 1 1 6 GLY N N -4.695 4.373 2.080 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . rr_2mix 1
. 7 . 1844 . 1 1 6 GLY O O -2.219 4.320 0.985 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . rr_2mix 1
. 7 . 1845 . 1 1 7 CYS C C 0.744 3.790 3.322 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_2mix 1
. 7 . 1846 . 1 1 7 CYS CA C 0.087 4.796 2.392 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_2mix 1
. 7 . 1847 . 1 1 7 CYS CB C 0.919 6.074 2.301 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_2mix 1
. 7 . 1848 . 1 1 7 CYS H H -1.379 5.501 3.736 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_2mix 1
. 7 . 1849 . 1 1 7 CYS HA H 0.009 4.358 1.411 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_2mix 1
. 7 . 1850 . 1 1 7 CYS HB2 H 1.012 6.507 3.286 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_2mix 1
. 7 . 1851 . 1 1 7 CYS HB3 H 1.902 5.830 1.927 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_2mix 1
. 7 . 1852 . 1 1 7 CYS N N -1.253 5.100 2.850 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_2mix 1
. 7 . 1853 . 1 1 7 CYS O O 0.843 4.009 4.531 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_2mix 1
. 7 . 1854 . 1 1 7 CYS SG S 0.203 7.344 1.202 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_2mix 1
. 7 . 1855 . 1 1 8 TYR C C 3.153 1.276 2.947 . . . 1.0 . . . . . . . . . . . . A . 8 TYR C . . . . . . . . . rr_2mix 1
. 7 . 1856 . 1 1 8 TYR CA C 1.782 1.606 3.502 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CA . . . . . . . . . rr_2mix 1
. 7 . 1857 . 1 1 8 TYR CB C 0.891 0.368 3.442 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CB . . . . . . . . . rr_2mix 1
. 7 . 1858 . 1 1 8 TYR CD1 C 1.391 -0.532 1.123 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD1 . . . . . . . . . rr_2mix 1
. 7 . 1859 . 1 1 8 TYR CD2 C -0.849 0.073 1.640 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD2 . . . . . . . . . rr_2mix 1
. 7 . 1860 . 1 1 8 TYR CE1 C 1.001 -0.902 -0.147 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE1 . . . . . . . . . rr_2mix 1
. 7 . 1861 . 1 1 8 TYR CE2 C -1.249 -0.299 0.374 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE2 . . . . . . . . . rr_2mix 1
. 7 . 1862 . 1 1 8 TYR CG C 0.472 -0.035 2.040 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CG . . . . . . . . . rr_2mix 1
. 7 . 1863 . 1 1 8 TYR CZ C -0.320 -0.784 -0.518 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CZ . . . . . . . . . rr_2mix 1
. 7 . 1864 . 1 1 8 TYR H H 1.091 2.582 1.776 . . . 1.0 . . . . . . . . . . . . A . 8 TYR H . . . . . . . . . rr_2mix 1
. 7 . 1865 . 1 1 8 TYR HA H 1.882 1.923 4.529 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HA . . . . . . . . . rr_2mix 1
. 7 . 1866 . 1 1 8 TYR HB2 H 1.423 -0.459 3.872 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB2 . . . . . . . . . rr_2mix 1
. 7 . 1867 . 1 1 8 TYR HB3 H -0.005 0.552 4.015 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB3 . . . . . . . . . rr_2mix 1
. 7 . 1868 . 1 1 8 TYR HD1 H 2.427 -0.625 1.416 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD1 . . . . . . . . . rr_2mix 1
. 7 . 1869 . 1 1 8 TYR HD2 H -1.580 0.451 2.338 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD2 . . . . . . . . . rr_2mix 1
. 7 . 1870 . 1 1 8 TYR HE1 H 1.731 -1.286 -0.845 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE1 . . . . . . . . . rr_2mix 1
. 7 . 1871 . 1 1 8 TYR HE2 H -2.288 -0.219 0.094 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE2 . . . . . . . . . rr_2mix 1
. 7 . 1872 . 1 1 8 TYR HH H -0.282 -1.997 -2.008 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HH . . . . . . . . . rr_2mix 1
. 7 . 1873 . 1 1 8 TYR N N 1.182 2.685 2.748 . . . 1.0 . . . . . . . . . . . . A . 8 TYR N . . . . . . . . . rr_2mix 1
. 7 . 1874 . 1 1 8 TYR O O 3.467 1.624 1.813 . . . 1.0 . . . . . . . . . . . . A . 8 TYR O . . . . . . . . . rr_2mix 1
. 7 . 1875 . 1 1 8 TYR OH O -0.709 -1.158 -1.783 . . . 1.0 . . . . . . . . . . . . A . 8 TYR OH . . . . . . . . . rr_2mix 1
. 7 . 1876 . 1 1 9 TRP C C 5.152 -1.284 2.830 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_2mix 1
. 7 . 1877 . 1 1 9 TRP CA C 5.256 0.165 3.262 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_2mix 1
. 7 . 1878 . 1 1 9 TRP CB C 6.351 0.312 4.320 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_2mix 1
. 7 . 1879 . 1 1 9 TRP CD1 C 8.230 -1.357 3.849 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_2mix 1
. 7 . 1880 . 1 1 9 TRP CD2 C 8.638 0.714 3.114 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_2mix 1
. 7 . 1881 . 1 1 9 TRP CE2 C 9.730 -0.104 2.774 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_2mix 1
. 7 . 1882 . 1 1 9 TRP CE3 C 8.673 2.063 2.754 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_2mix 1
. 7 . 1883 . 1 1 9 TRP CG C 7.689 -0.107 3.798 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_2mix 1
. 7 . 1884 . 1 1 9 TRP CH2 C 10.842 1.709 1.750 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_2mix 1
. 7 . 1885 . 1 1 9 TRP CZ2 C 10.839 0.386 2.091 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_2mix 1
. 7 . 1886 . 1 1 9 TRP CZ3 C 9.774 2.544 2.076 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_2mix 1
. 7 . 1887 . 1 1 9 TRP H H 3.675 0.377 4.646 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_2mix 1
. 7 . 1888 . 1 1 9 TRP HA H 5.513 0.765 2.402 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_2mix 1
. 7 . 1889 . 1 1 9 TRP HB2 H 6.417 1.344 4.629 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_2mix 1
. 7 . 1890 . 1 1 9 TRP HB3 H 6.112 -0.305 5.174 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_2mix 1
. 7 . 1891 . 1 1 9 TRP HD1 H 7.747 -2.208 4.305 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_2mix 1
. 7 . 1892 . 1 1 9 TRP HE1 H 10.036 -2.156 3.125 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_2mix 1
. 7 . 1893 . 1 1 9 TRP HE3 H 7.861 2.726 2.996 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_2mix 1
. 7 . 1894 . 1 1 9 TRP HH2 H 11.680 2.131 1.222 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_2mix 1
. 7 . 1895 . 1 1 9 TRP HZ2 H 11.670 -0.245 1.823 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_2mix 1
. 7 . 1896 . 1 1 9 TRP HZ3 H 9.816 3.581 1.785 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_2mix 1
. 7 . 1897 . 1 1 9 TRP N N 3.966 0.610 3.740 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_2mix 1
. 7 . 1898 . 1 1 9 TRP NE1 N 9.453 -1.367 3.228 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_2mix 1
. 7 . 1899 . 1 1 9 TRP O O 4.939 -2.171 3.656 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_2mix 1
. 7 . 1900 . 1 1 10 ASN C C 6.542 -3.297 0.443 . . . 1.0 . . . . . . . . . . . . A . 10 ASN C . . . . . . . . . rr_2mix 1
. 7 . 1901 . 1 1 10 ASN CA C 5.201 -2.868 1.025 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CA . . . . . . . . . rr_2mix 1
. 7 . 1902 . 1 1 10 ASN CB C 4.095 -2.967 -0.029 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CB . . . . . . . . . rr_2mix 1
. 7 . 1903 . 1 1 10 ASN CG C 3.807 -4.395 -0.455 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CG . . . . . . . . . rr_2mix 1
. 7 . 1904 . 1 1 10 ASN H H 5.446 -0.772 0.926 . . . 1.0 . . . . . . . . . . . . A . 10 ASN H . . . . . . . . . rr_2mix 1
. 7 . 1905 . 1 1 10 ASN HA H 4.959 -3.521 1.849 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HA . . . . . . . . . rr_2mix 1
. 7 . 1906 . 1 1 10 ASN HB2 H 3.188 -2.547 0.375 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB2 . . . . . . . . . rr_2mix 1
. 7 . 1907 . 1 1 10 ASN HB3 H 4.387 -2.401 -0.904 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB3 . . . . . . . . . rr_2mix 1
. 7 . 1908 . 1 1 10 ASN HD21 H 4.208 -5.076 1.371 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD21 . . . . . . . . . rr_2mix 1
. 7 . 1909 . 1 1 10 ASN HD22 H 3.759 -6.272 0.201 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD22 . . . . . . . . . rr_2mix 1
. 7 . 1910 . 1 1 10 ASN N N 5.282 -1.520 1.542 . . . 1.0 . . . . . . . . . . . . A . 10 ASN N . . . . . . . . . rr_2mix 1
. 7 . 1911 . 1 1 10 ASN ND2 N 3.938 -5.340 0.465 . . . 1.0 . . . . . . . . . . . . A . 10 ASN ND2 . . . . . . . . . rr_2mix 1
. 7 . 1912 . 1 1 10 ASN O O 6.828 -3.080 -0.736 . . . 1.0 . . . . . . . . . . . . A . 10 ASN O . . . . . . . . . rr_2mix 1
. 7 . 1913 . 1 1 10 ASN OD1 O 3.435 -4.644 -1.598 . . . 1.0 . . . . . . . . . . . . A . 10 ASN OD1 . . . . . . . . . rr_2mix 1
. 7 . 1914 . 1 1 11 GLY C C 9.734 -3.464 0.675 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2mix 1
. 7 . 1915 . 1 1 11 GLY CA C 8.619 -4.466 0.862 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2mix 1
. 7 . 1916 . 1 1 11 GLY H H 7.127 -3.912 2.248 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2mix 1
. 7 . 1917 . 1 1 11 GLY HA2 H 8.932 -5.184 1.601 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2mix 1
. 7 . 1918 . 1 1 11 GLY HA3 H 8.455 -4.978 -0.071 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2mix 1
. 7 . 1919 . 1 1 11 GLY N N 7.369 -3.881 1.296 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2mix 1
. 7 . 1920 . 1 1 11 GLY O O 10.550 -3.259 1.574 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2mix 1
. 7 . 1921 . 1 1 12 SER C C 10.434 -0.525 -1.050 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . rr_2mix 1
. 7 . 1922 . 1 1 12 SER CA C 10.885 -1.967 -0.835 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . rr_2mix 1
. 7 . 1923 . 1 1 12 SER CB C 11.578 -2.500 -2.086 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . rr_2mix 1
. 7 . 1924 . 1 1 12 SER H H 9.059 -2.983 -1.139 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . rr_2mix 1
. 7 . 1925 . 1 1 12 SER HA H 11.587 -1.988 -0.017 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . rr_2mix 1
. 7 . 1926 . 1 1 12 SER HB2 H 12.134 -1.702 -2.556 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . rr_2mix 1
. 7 . 1927 . 1 1 12 SER HB3 H 12.252 -3.296 -1.810 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . rr_2mix 1
. 7 . 1928 . 1 1 12 SER HG H 10.624 -3.969 -2.970 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . rr_2mix 1
. 7 . 1929 . 1 1 12 SER N N 9.780 -2.843 -0.490 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . rr_2mix 1
. 7 . 1930 . 1 1 12 SER O O 11.264 0.361 -1.270 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . rr_2mix 1
. 7 . 1931 . 1 1 12 SER OG O 10.628 -3.004 -3.015 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . rr_2mix 1
. 7 . 1932 . 1 1 13 LYS C C 7.381 1.370 -0.385 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mix 1
. 7 . 1933 . 1 1 13 LYS CA C 8.610 1.059 -1.224 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mix 1
. 7 . 1934 . 1 1 13 LYS CB C 8.249 1.228 -2.693 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mix 1
. 7 . 1935 . 1 1 13 LYS CD C 9.013 1.440 -5.054 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mix 1
. 7 . 1936 . 1 1 13 LYS CE C 8.084 2.614 -5.332 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mix 1
. 7 . 1937 . 1 1 13 LYS CG C 9.446 1.395 -3.611 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mix 1
. 7 . 1938 . 1 1 13 LYS H H 8.515 -0.999 -0.723 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mix 1
. 7 . 1939 . 1 1 13 LYS HA H 9.386 1.762 -0.979 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mix 1
. 7 . 1940 . 1 1 13 LYS HB2 H 7.696 0.360 -3.015 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mix 1
. 7 . 1941 . 1 1 13 LYS HB3 H 7.621 2.101 -2.795 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mix 1
. 7 . 1942 . 1 1 13 LYS HD2 H 9.885 1.524 -5.684 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mix 1
. 7 . 1943 . 1 1 13 LYS HD3 H 8.497 0.524 -5.267 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mix 1
. 7 . 1944 . 1 1 13 LYS HE2 H 7.223 2.535 -4.686 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mix 1
. 7 . 1945 . 1 1 13 LYS HE3 H 8.610 3.532 -5.120 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mix 1
. 7 . 1946 . 1 1 13 LYS HG2 H 9.956 2.313 -3.366 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mix 1
. 7 . 1947 . 1 1 13 LYS HG3 H 10.111 0.559 -3.475 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mix 1
. 7 . 1948 . 1 1 13 LYS HZ1 H 6.968 3.431 -6.895 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mix 1
. 7 . 1949 . 1 1 13 LYS HZ2 H 7.122 1.750 -6.971 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . rr_2mix 1
. 7 . 1950 . 1 1 13 LYS HZ3 H 8.428 2.734 -7.388 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mix 1
. 7 . 1951 . 1 1 13 LYS N N 9.132 -0.277 -0.970 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mix 1
. 7 . 1952 . 1 1 13 LYS NZ N 7.619 2.634 -6.743 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mix 1
. 7 . 1953 . 1 1 13 LYS O O 6.688 0.468 0.094 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mix 1
. 7 . 1954 . 1 1 14 ASP C C 4.871 3.365 -0.684 . . . 1.0 . . . . . . . . . . . . A . 14 ASP C . . . . . . . . . rr_2mix 1
. 7 . 1955 . 1 1 14 ASP CA C 5.908 3.146 0.405 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CA . . . . . . . . . rr_2mix 1
. 7 . 1956 . 1 1 14 ASP CB C 6.172 4.451 1.168 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CB . . . . . . . . . rr_2mix 1
. 7 . 1957 . 1 1 14 ASP CG C 4.959 4.954 1.935 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CG . . . . . . . . . rr_2mix 1
. 7 . 1958 . 1 1 14 ASP H H 7.786 3.315 -0.539 . . . 1.0 . . . . . . . . . . . . A . 14 ASP H . . . . . . . . . rr_2mix 1
. 7 . 1959 . 1 1 14 ASP HA H 5.554 2.390 1.089 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HA . . . . . . . . . rr_2mix 1
. 7 . 1960 . 1 1 14 ASP HB2 H 6.972 4.289 1.874 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB2 . . . . . . . . . rr_2mix 1
. 7 . 1961 . 1 1 14 ASP HB3 H 6.471 5.213 0.465 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB3 . . . . . . . . . rr_2mix 1
. 7 . 1962 . 1 1 14 ASP N N 7.130 2.661 -0.219 . . . 1.0 . . . . . . . . . . . . A . 14 ASP N . . . . . . . . . rr_2mix 1
. 7 . 1963 . 1 1 14 ASP O O 5.069 4.178 -1.590 . . . 1.0 . . . . . . . . . . . . A . 14 ASP O . . . . . . . . . rr_2mix 1
. 7 . 1964 . 1 1 14 ASP OD1 O 4.099 5.624 1.320 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD1 . . . . . . . . . rr_2mix 1
. 7 . 1965 . 1 1 14 ASP OD2 O 4.839 4.649 3.142 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD2 . . . . . . . . . rr_2mix 1
. 7 . 1966 . 1 1 15 VAL C C 1.453 3.048 -1.130 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . rr_2mix 1
. 7 . 1967 . 1 1 15 VAL CA C 2.798 2.594 -1.661 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . rr_2mix 1
. 7 . 1968 . 1 1 15 VAL CB C 2.668 1.175 -2.257 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . rr_2mix 1
. 7 . 1969 . 1 1 15 VAL CG1 C 1.657 1.149 -3.394 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . rr_2mix 1
. 7 . 1970 . 1 1 15 VAL CG2 C 4.020 0.660 -2.734 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . rr_2mix 1
. 7 . 1971 . 1 1 15 VAL H H 3.610 2.117 0.211 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . rr_2mix 1
. 7 . 1972 . 1 1 15 VAL HA H 3.117 3.267 -2.441 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . rr_2mix 1
. 7 . 1973 . 1 1 15 VAL HB H 2.311 0.516 -1.481 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . rr_2mix 1
. 7 . 1974 . 1 1 15 VAL HG11 H 0.694 1.472 -3.028 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . rr_2mix 1
. 7 . 1975 . 1 1 15 VAL HG12 H 1.578 0.142 -3.779 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . rr_2mix 1
. 7 . 1976 . 1 1 15 VAL HG13 H 1.983 1.812 -4.183 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . rr_2mix 1
. 7 . 1977 . 1 1 15 VAL HG21 H 3.905 -0.334 -3.137 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . rr_2mix 1
. 7 . 1978 . 1 1 15 VAL HG22 H 4.709 0.633 -1.901 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . rr_2mix 1
. 7 . 1979 . 1 1 15 VAL HG23 H 4.406 1.317 -3.498 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . rr_2mix 1
. 7 . 1980 . 1 1 15 VAL N N 3.780 2.629 -0.605 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . rr_2mix 1
. 7 . 1981 . 1 1 15 VAL O O 0.911 2.477 -0.182 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . rr_2mix 1
. 7 . 1982 . 1 1 16 CYS C C -1.409 4.007 -2.298 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_2mix 1
. 7 . 1983 . 1 1 16 CYS CA C -0.352 4.622 -1.387 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_2mix 1
. 7 . 1984 . 1 1 16 CYS CB C -0.323 6.133 -1.543 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_2mix 1
. 7 . 1985 . 1 1 16 CYS H H 1.480 4.585 -2.369 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_2mix 1
. 7 . 1986 . 1 1 16 CYS HA H -0.572 4.370 -0.363 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_2mix 1
. 7 . 1987 . 1 1 16 CYS HB2 H -0.196 6.377 -2.587 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_2mix 1
. 7 . 1988 . 1 1 16 CYS HB3 H -1.247 6.530 -1.201 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_2mix 1
. 7 . 1989 . 1 1 16 CYS N N 0.947 4.107 -1.716 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_2mix 1
. 7 . 1990 . 1 1 16 CYS O O -1.323 4.109 -3.523 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_2mix 1
. 7 . 1991 . 1 1 16 CYS SG S 1.019 6.947 -0.614 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_2mix 1
. 7 . 1992 . 1 1 17 SER C C -4.762 2.765 -1.714 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . rr_2mix 1
. 7 . 1993 . 1 1 17 SER CA C -3.433 2.682 -2.455 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . rr_2mix 1
. 7 . 1994 . 1 1 17 SER CB C -3.039 1.218 -2.685 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . rr_2mix 1
. 7 . 1995 . 1 1 17 SER H H -2.445 3.362 -0.715 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . rr_2mix 1
. 7 . 1996 . 1 1 17 SER HA H -3.530 3.178 -3.407 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . rr_2mix 1
. 7 . 1997 . 1 1 17 SER HB2 H -2.047 1.177 -3.109 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . rr_2mix 1
. 7 . 1998 . 1 1 17 SER HB3 H -3.048 0.694 -1.741 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . rr_2mix 1
. 7 . 1999 . 1 1 17 SER HG H -4.042 1.112 -4.368 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . rr_2mix 1
. 7 . 2000 . 1 1 17 SER N N -2.399 3.364 -1.698 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . rr_2mix 1
. 7 . 2001 . 1 1 17 SER O O -4.801 3.103 -0.531 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . rr_2mix 1
. 7 . 2002 . 1 1 17 SER OG O -3.938 0.571 -3.573 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . rr_2mix 1
. 7 . 2003 . 1 1 18 GLN C C -7.838 1.145 -1.874 . . . 1.0 . . . . . . . . . . . . A . 18 GLN C . . . . . . . . . rr_2mix 1
. 7 . 2004 . 1 1 18 GLN CA C -7.171 2.516 -1.815 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CA . . . . . . . . . rr_2mix 1
. 7 . 2005 . 1 1 18 GLN CB C -8.035 3.556 -2.526 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CB . . . . . . . . . rr_2mix 1
. 7 . 2006 . 1 1 18 GLN CD C -8.308 5.972 -3.197 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CD . . . . . . . . . rr_2mix 1
. 7 . 2007 . 1 1 18 GLN CG C -7.440 4.947 -2.498 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CG . . . . . . . . . rr_2mix 1
. 7 . 2008 . 1 1 18 GLN H H -5.761 2.229 -3.358 . . . 1.0 . . . . . . . . . . . . A . 18 GLN H . . . . . . . . . rr_2mix 1
. 7 . 2009 . 1 1 18 GLN HA H -7.058 2.802 -0.781 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HA . . . . . . . . . rr_2mix 1
. 7 . 2010 . 1 1 18 GLN HB2 H -8.169 3.262 -3.556 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB2 . . . . . . . . . rr_2mix 1
. 7 . 2011 . 1 1 18 GLN HB3 H -8.996 3.597 -2.042 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB3 . . . . . . . . . rr_2mix 1
. 7 . 2012 . 1 1 18 GLN HE21 H -7.392 5.611 -4.921 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE21 . . . . . . . . . rr_2mix 1
. 7 . 2013 . 1 1 18 GLN HE22 H -8.633 6.813 -4.966 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE22 . . . . . . . . . rr_2mix 1
. 7 . 2014 . 1 1 18 GLN HG2 H -7.327 5.238 -1.470 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG2 . . . . . . . . . rr_2mix 1
. 7 . 2015 . 1 1 18 GLN HG3 H -6.472 4.923 -2.977 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG3 . . . . . . . . . rr_2mix 1
. 7 . 2016 . 1 1 18 GLN N N -5.849 2.474 -2.413 . . . 1.0 . . . . . . . . . . . . A . 18 GLN N . . . . . . . . . rr_2mix 1
. 7 . 2017 . 1 1 18 GLN NE2 N -8.090 6.148 -4.490 . . . 1.0 . . . . . . . . . . . . A . 18 GLN NE2 . . . . . . . . . rr_2mix 1
. 7 . 2018 . 1 1 18 GLN O O -8.674 0.884 -2.739 . . . 1.0 . . . . . . . . . . . . A . 18 GLN O . . . . . . . . . rr_2mix 1
. 7 . 2019 . 1 1 18 GLN OE1 O -9.170 6.598 -2.581 . . . 1.0 . . . . . . . . . . . . A . 18 GLN OE1 . . . . . . . . . rr_2mix 1
. 7 . 2020 . 1 1 19 SER C C -9.426 -1.011 -0.248 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_2mix 1
. 7 . 2021 . 1 1 19 SER CA C -8.037 -1.062 -0.877 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_2mix 1
. 7 . 2022 . 1 1 19 SER CB C -7.183 -1.967 -0.019 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_2mix 1
. 7 . 2023 . 1 1 19 SER H H -6.749 0.520 -0.315 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_2mix 1
. 7 . 2024 . 1 1 19 SER HA H -8.082 -1.476 -1.874 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_2mix 1
. 7 . 2025 . 1 1 19 SER HB2 H -6.144 -1.828 -0.272 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_2mix 1
. 7 . 2026 . 1 1 19 SER HB3 H -7.333 -1.706 1.011 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_2mix 1
. 7 . 2027 . 1 1 19 SER HG H -7.004 -3.871 0.410 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_2mix 1
. 7 . 2028 . 1 1 19 SER N N -7.455 0.269 -0.954 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_2mix 1
. 7 . 2029 . 1 1 19 SER O O -10.419 -1.423 -0.846 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_2mix 1
. 7 . 2030 . 1 1 19 SER OG O -7.530 -3.329 -0.194 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_2mix 1
. 7 . 2031 . 1 1 20 CYS C C -11.603 0.607 1.677 . . . 1.0 . . . . . . . . . . . . A . 20 CYS C . . . . . . . . . rr_2mix 1
. 7 . 2032 . 1 1 20 CYS CA C -10.663 -0.593 1.811 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CA . . . . . . . . . rr_2mix 1
. 7 . 2033 . 1 1 20 CYS CB C -10.257 -0.801 3.275 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CB . . . . . . . . . rr_2mix 1
. 7 . 2034 . 1 1 20 CYS H H -8.709 0.024 1.308 . . . 1.0 . . . . . . . . . . . . A . 20 CYS H . . . . . . . . . rr_2mix 1
. 7 . 2035 . 1 1 20 CYS HA H -11.183 -1.464 1.486 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HA . . . . . . . . . rr_2mix 1
. 7 . 2036 . 1 1 20 CYS HB2 H -11.145 -0.786 3.888 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB2 . . . . . . . . . rr_2mix 1
. 7 . 2037 . 1 1 20 CYS HB3 H -9.778 -1.765 3.372 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB3 . . . . . . . . . rr_2mix 1
. 7 . 2038 . 1 1 20 CYS N N -9.481 -0.475 0.972 . . . 1.0 . . . . . . . . . . . . A . 20 CYS N . . . . . . . . . rr_2mix 1
. 7 . 2039 . 1 1 20 CYS O O -12.333 0.941 2.612 . . . 1.0 . . . . . . . . . . . . A . 20 CYS O . . . . . . . . . rr_2mix 1
. 7 . 2040 . 1 1 20 CYS SG S -9.113 0.457 3.934 . . . 1.0 . . . . . . . . . . . . A . 20 CYS SG . . . . . . . . . rr_2mix 1
. 7 . 2041 . 1 1 21 CYS C C -12.749 2.549 -1.215 . . . 1.0 . . . . . . . . . . . . A . 21 CYS C . . . . . . . . . rr_2mix 1
. 7 . 2042 . 1 1 21 CYS CA C -12.462 2.393 0.274 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CA . . . . . . . . . rr_2mix 1
. 7 . 2043 . 1 1 21 CYS CB C -11.843 3.675 0.861 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CB . . . . . . . . . rr_2mix 1
. 7 . 2044 . 1 1 21 CYS H H -11.010 0.931 -0.203 . . . 1.0 . . . . . . . . . . . . A . 21 CYS H . . . . . . . . . rr_2mix 1
. 7 . 2045 . 1 1 21 CYS HA H -13.398 2.203 0.779 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HA . . . . . . . . . rr_2mix 1
. 7 . 2046 . 1 1 21 CYS HB2 H -12.459 4.517 0.587 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB2 . . . . . . . . . rr_2mix 1
. 7 . 2047 . 1 1 21 CYS HB3 H -11.824 3.590 1.939 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB3 . . . . . . . . . rr_2mix 1
. 7 . 2048 . 1 1 21 CYS N N -11.603 1.241 0.513 . . . 1.0 . . . . . . . . . . . . A . 21 CYS N . . . . . . . . . rr_2mix 1
. 7 . 2049 . 1 1 21 CYS O O -13.837 2.122 -1.657 . . . 1.0 . . . . . . . . . . . . A . 21 CYS O . . . . . . . . . rr_2mix 1
. 7 . 2050 . 1 1 21 CYS OXT O -11.885 3.063 -1.949 . . . 1.0 . . . . . . . . . . . . A . 21 CYS OXT . . . . . . . . . rr_2mix 1
. 7 . 2051 . 1 1 21 CYS SG S -10.141 4.043 0.307 . . . 1.0 . . . . . . . . . . . . A . 21 CYS SG . . . . . . . . . rr_2mix 1
. 8 . 2052 . 1 1 1 THR C C -1.269 -4.884 -1.245 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . rr_2mix 1
. 8 . 2053 . 1 1 1 THR CA C -0.563 -6.196 -0.919 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . rr_2mix 1
. 8 . 2054 . 1 1 1 THR CB C 0.548 -5.939 0.119 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . rr_2mix 1
. 8 . 2055 . 1 1 1 THR CG2 C 1.113 -7.248 0.649 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . rr_2mix 1
. 8 . 2056 . 1 1 1 THR H1 H -0.780 -6.968 -2.835 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . rr_2mix 1
. 8 . 2057 . 1 1 1 THR H2 H 0.415 -7.733 -1.919 . . . 1.0 . . . . . . . . . . . . A . 1 THR H2 . . . . . . . . . rr_2mix 1
. 8 . 2058 . 1 1 1 THR H3 H 0.701 -6.199 -2.567 . . . 1.0 . . . . . . . . . . . . A . 1 THR H3 . . . . . . . . . rr_2mix 1
. 8 . 2059 . 1 1 1 THR HA H -1.279 -6.875 -0.487 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . rr_2mix 1
. 8 . 2060 . 1 1 1 THR HB H 0.124 -5.390 0.947 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . rr_2mix 1
. 8 . 2061 . 1 1 1 THR HG1 H 1.233 -4.603 -1.162 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . rr_2mix 1
. 8 . 2062 . 1 1 1 THR HG21 H 1.518 -7.824 -0.171 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . rr_2mix 1
. 8 . 2063 . 1 1 1 THR HG22 H 0.328 -7.812 1.131 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . rr_2mix 1
. 8 . 2064 . 1 1 1 THR HG23 H 1.898 -7.041 1.361 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . rr_2mix 1
. 8 . 2065 . 1 1 1 THR N N -0.019 -6.816 -2.144 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . rr_2mix 1
. 8 . 2066 . 1 1 1 THR O O -0.635 -3.917 -1.660 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . rr_2mix 1
. 8 . 2067 . 1 1 1 THR OG1 O 1.599 -5.162 -0.466 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . rr_2mix 1
. 8 . 2068 . 1 1 2 ARG C C -3.751 -3.001 -0.003 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2mix 1
. 8 . 2069 . 1 1 2 ARG CA C -3.428 -3.723 -1.329 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2mix 1
. 8 . 2070 . 1 1 2 ARG CB C -4.661 -4.260 -2.058 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2mix 1
. 8 . 2071 . 1 1 2 ARG CD C -6.924 -4.059 -2.947 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2mix 1
. 8 . 2072 . 1 1 2 ARG CG C -5.843 -3.342 -2.190 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2mix 1
. 8 . 2073 . 1 1 2 ARG CZ C -8.899 -2.773 -3.677 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2mix 1
. 8 . 2074 . 1 1 2 ARG H H -3.029 -5.712 -0.792 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2mix 1
. 8 . 2075 . 1 1 2 ARG HA H -2.904 -3.049 -1.978 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2mix 1
. 8 . 2076 . 1 1 2 ARG HB2 H -4.364 -4.546 -3.053 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2mix 1
. 8 . 2077 . 1 1 2 ARG HB3 H -4.993 -5.140 -1.541 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2mix 1
. 8 . 2078 . 1 1 2 ARG HD2 H -6.682 -4.040 -3.999 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2mix 1
. 8 . 2079 . 1 1 2 ARG HD3 H -6.929 -5.078 -2.596 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2mix 1
. 8 . 2080 . 1 1 2 ARG HE H -8.673 -3.607 -1.869 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2mix 1
. 8 . 2081 . 1 1 2 ARG HG2 H -6.199 -3.100 -1.208 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2mix 1
. 8 . 2082 . 1 1 2 ARG HG3 H -5.569 -2.451 -2.712 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2mix 1
. 8 . 2083 . 1 1 2 ARG HH11 H -7.423 -2.881 -5.059 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2mix 1
. 8 . 2084 . 1 1 2 ARG HH12 H -8.843 -2.024 -5.559 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2mix 1
. 8 . 2085 . 1 1 2 ARG HH21 H -10.545 -2.487 -2.530 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2mix 1
. 8 . 2086 . 1 1 2 ARG HH22 H -10.613 -1.782 -4.114 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2mix 1
. 8 . 2087 . 1 1 2 ARG N N -2.583 -4.878 -1.078 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2mix 1
. 8 . 2088 . 1 1 2 ARG NE N -8.244 -3.465 -2.748 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2mix 1
. 8 . 2089 . 1 1 2 ARG NH1 N -8.342 -2.540 -4.859 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2mix 1
. 8 . 2090 . 1 1 2 ARG NH2 N -10.116 -2.312 -3.422 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2mix 1
. 8 . 2091 . 1 1 2 ARG O O -4.724 -2.271 0.101 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2mix 1
. 8 . 2092 . 1 1 3 ILE C C -3.969 -1.622 2.619 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_2mix 1
. 8 . 2093 . 1 1 3 ILE CA C -3.073 -2.841 2.395 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_2mix 1
. 8 . 2094 . 1 1 3 ILE CB C -1.740 -2.604 3.145 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_2mix 1
. 8 . 2095 . 1 1 3 ILE CD1 C 0.646 -3.480 3.418 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_2mix 1
. 8 . 2096 . 1 1 3 ILE CG1 C -0.737 -3.706 2.832 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_2mix 1
. 8 . 2097 . 1 1 3 ILE CG2 C -1.982 -2.542 4.641 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_2mix 1
. 8 . 2098 . 1 1 3 ILE H H -2.006 -3.589 0.729 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_2mix 1
. 8 . 2099 . 1 1 3 ILE HA H -3.548 -3.681 2.847 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_2mix 1
. 8 . 2100 . 1 1 3 ILE HB H -1.337 -1.655 2.829 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_2mix 1
. 8 . 2101 . 1 1 3 ILE HD11 H 1.108 -2.628 2.936 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_2mix 1
. 8 . 2102 . 1 1 3 ILE HD12 H 1.255 -4.356 3.254 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_2mix 1
. 8 . 2103 . 1 1 3 ILE HD13 H 0.562 -3.292 4.477 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_2mix 1
. 8 . 2104 . 1 1 3 ILE HG12 H -1.108 -4.644 3.210 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_2mix 1
. 8 . 2105 . 1 1 3 ILE HG13 H -0.636 -3.768 1.774 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_2mix 1
. 8 . 2106 . 1 1 3 ILE HG21 H -2.436 -3.464 4.966 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_2mix 1
. 8 . 2107 . 1 1 3 ILE HG22 H -2.636 -1.715 4.867 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_2mix 1
. 8 . 2108 . 1 1 3 ILE HG23 H -1.039 -2.409 5.147 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_2mix 1
. 8 . 2109 . 1 1 3 ILE N N -2.853 -3.189 0.974 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_2mix 1
. 8 . 2110 . 1 1 3 ILE O O -3.529 -0.475 2.584 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_2mix 1
. 8 . 2111 . 1 1 4 CYS C C -6.223 0.314 2.401 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2mix 1
. 8 . 2112 . 1 1 4 CYS CA C -6.272 -0.966 3.247 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2mix 1
. 8 . 2113 . 1 1 4 CYS CB C -6.226 -0.605 4.730 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2mix 1
. 8 . 2114 . 1 1 4 CYS H H -5.452 -2.888 2.884 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2mix 1
. 8 . 2115 . 1 1 4 CYS HA H -7.216 -1.453 3.058 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2mix 1
. 8 . 2116 . 1 1 4 CYS HB2 H -5.497 -1.227 5.229 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2mix 1
. 8 . 2117 . 1 1 4 CYS HB3 H -5.941 0.436 4.827 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2mix 1
. 8 . 2118 . 1 1 4 CYS N N -5.219 -1.936 2.910 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2mix 1
. 8 . 2119 . 1 1 4 CYS O O -5.758 0.323 1.262 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2mix 1
. 8 . 2120 . 1 1 4 CYS SG S -7.829 -0.820 5.575 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2mix 1
. 8 . 2121 . 1 1 5 CYS C C -5.671 3.552 2.887 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_2mix 1
. 8 . 2122 . 1 1 5 CYS CA C -6.756 2.672 2.285 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_2mix 1
. 8 . 2123 . 1 1 5 CYS CB C -8.122 3.326 2.452 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_2mix 1
. 8 . 2124 . 1 1 5 CYS H H -7.174 1.317 3.837 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_2mix 1
. 8 . 2125 . 1 1 5 CYS HA H -6.559 2.518 1.241 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_2mix 1
. 8 . 2126 . 1 1 5 CYS HB2 H -8.887 2.621 2.163 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_2mix 1
. 8 . 2127 . 1 1 5 CYS HB3 H -8.248 3.576 3.487 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_2mix 1
. 8 . 2128 . 1 1 5 CYS N N -6.760 1.387 2.950 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_2mix 1
. 8 . 2129 . 1 1 5 CYS O O -5.580 3.688 4.107 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_2mix 1
. 8 . 2130 . 1 1 5 CYS SG S -8.374 4.840 1.474 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_2mix 1
. 8 . 2131 . 1 1 6 GLY C C -2.436 4.553 1.959 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . rr_2mix 1
. 8 . 2132 . 1 1 6 GLY CA C -3.771 4.973 2.512 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . rr_2mix 1
. 8 . 2133 . 1 1 6 GLY H H -4.901 3.922 1.074 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . rr_2mix 1
. 8 . 2134 . 1 1 6 GLY HA2 H -3.978 5.989 2.206 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . rr_2mix 1
. 8 . 2135 . 1 1 6 GLY HA3 H -3.736 4.928 3.590 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . rr_2mix 1
. 8 . 2136 . 1 1 6 GLY N N -4.827 4.113 2.037 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . rr_2mix 1
. 8 . 2137 . 1 1 6 GLY O O -2.375 3.897 0.915 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . rr_2mix 1
. 8 . 2138 . 1 1 7 CYS C C 0.630 3.576 3.106 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_2mix 1
. 8 . 2139 . 1 1 7 CYS CA C -0.037 4.575 2.173 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_2mix 1
. 8 . 2140 . 1 1 7 CYS CB C 0.825 5.843 2.073 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_2mix 1
. 8 . 2141 . 1 1 7 CYS H H -1.475 5.327 3.527 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_2mix 1
. 8 . 2142 . 1 1 7 CYS HA H -0.132 4.132 1.200 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_2mix 1
. 8 . 2143 . 1 1 7 CYS HB2 H 1.030 6.197 3.072 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_2mix 1
. 8 . 2144 . 1 1 7 CYS HB3 H 1.761 5.584 1.599 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_2mix 1
. 8 . 2145 . 1 1 7 CYS N N -1.368 4.881 2.661 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_2mix 1
. 8 . 2146 . 1 1 7 CYS O O 0.745 3.813 4.307 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_2mix 1
. 8 . 2147 . 1 1 7 CYS SG S 0.104 7.251 1.139 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_2mix 1
. 8 . 2148 . 1 1 8 TYR C C 3.031 1.041 2.800 . . . 1.0 . . . . . . . . . . . . A . 8 TYR C . . . . . . . . . rr_2mix 1
. 8 . 2149 . 1 1 8 TYR CA C 1.642 1.376 3.312 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CA . . . . . . . . . rr_2mix 1
. 8 . 2150 . 1 1 8 TYR CB C 0.757 0.136 3.245 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CB . . . . . . . . . rr_2mix 1
. 8 . 2151 . 1 1 8 TYR CD1 C 1.260 -0.815 0.973 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD1 . . . . . . . . . rr_2mix 1
. 8 . 2152 . 1 1 8 TYR CD2 C -0.959 -0.073 1.389 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD2 . . . . . . . . . rr_2mix 1
. 8 . 2153 . 1 1 8 TYR CE1 C 0.910 -1.170 -0.308 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE1 . . . . . . . . . rr_2mix 1
. 8 . 2154 . 1 1 8 TYR CE2 C -1.323 -0.432 0.105 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE2 . . . . . . . . . rr_2mix 1
. 8 . 2155 . 1 1 8 TYR CG C 0.340 -0.261 1.844 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CG . . . . . . . . . rr_2mix 1
. 8 . 2156 . 1 1 8 TYR CZ C -0.464 -0.997 -0.709 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CZ . . . . . . . . . rr_2mix 1
. 8 . 2157 . 1 1 8 TYR H H 0.969 2.345 1.572 . . . 1.0 . . . . . . . . . . . . A . 8 TYR H . . . . . . . . . rr_2mix 1
. 8 . 2158 . 1 1 8 TYR HA H 1.715 1.701 4.337 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HA . . . . . . . . . rr_2mix 1
. 8 . 2159 . 1 1 8 TYR HB2 H 1.294 -0.691 3.671 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB2 . . . . . . . . . rr_2mix 1
. 8 . 2160 . 1 1 8 TYR HB3 H -0.139 0.312 3.821 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB3 . . . . . . . . . rr_2mix 1
. 8 . 2161 . 1 1 8 TYR HD1 H 2.276 -0.959 1.307 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD1 . . . . . . . . . rr_2mix 1
. 8 . 2162 . 1 1 8 TYR HD2 H -1.693 0.358 2.055 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD2 . . . . . . . . . rr_2mix 1
. 8 . 2163 . 1 1 8 TYR HE1 H 1.655 -1.584 -0.970 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE1 . . . . . . . . . rr_2mix 1
. 8 . 2164 . 1 1 8 TYR HE2 H -2.336 -0.277 -0.233 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE2 . . . . . . . . . rr_2mix 1
. 8 . 2165 . 1 1 8 TYR HH H -1.180 -0.599 -2.450 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HH . . . . . . . . . rr_2mix 1
. 8 . 2166 . 1 1 8 TYR N N 1.056 2.456 2.542 . . . 1.0 . . . . . . . . . . . . A . 8 TYR N . . . . . . . . . rr_2mix 1
. 8 . 2167 . 1 1 8 TYR O O 3.385 1.388 1.678 . . . 1.0 . . . . . . . . . . . . A . 8 TYR O . . . . . . . . . rr_2mix 1
. 8 . 2168 . 1 1 8 TYR OH O -0.736 -1.344 -2.018 . . . 1.0 . . . . . . . . . . . . A . 8 TYR OH . . . . . . . . . rr_2mix 1
. 8 . 2169 . 1 1 9 TRP C C 5.208 -1.423 2.721 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_2mix 1
. 8 . 2170 . 1 1 9 TRP CA C 5.165 0.011 3.227 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_2mix 1
. 8 . 2171 . 1 1 9 TRP CB C 6.150 0.190 4.381 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_2mix 1
. 8 . 2172 . 1 1 9 TRP CD1 C 8.214 -1.271 4.022 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_2mix 1
. 8 . 2173 . 1 1 9 TRP CD2 C 8.489 0.865 3.417 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_2mix 1
. 8 . 2174 . 1 1 9 TRP CE2 C 9.681 0.169 3.158 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_2mix 1
. 8 . 2175 . 1 1 9 TRP CE3 C 8.427 2.227 3.117 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_2mix 1
. 8 . 2176 . 1 1 9 TRP CG C 7.562 -0.077 3.967 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_2mix 1
. 8 . 2177 . 1 1 9 TRP CH2 C 10.707 2.126 2.328 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_2mix 1
. 8 . 2178 . 1 1 9 TRP CZ2 C 10.800 0.793 2.614 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_2mix 1
. 8 . 2179 . 1 1 9 TRP CZ3 C 9.537 2.843 2.576 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_2mix 1
. 8 . 2180 . 1 1 9 TRP H H 3.465 0.072 4.487 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_2mix 1
. 8 . 2181 . 1 1 9 TRP HA H 5.453 0.666 2.419 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_2mix 1
. 8 . 2182 . 1 1 9 TRP HB2 H 6.093 1.203 4.749 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_2mix 1
. 8 . 2183 . 1 1 9 TRP HB3 H 5.898 -0.495 5.176 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_2mix 1
. 8 . 2184 . 1 1 9 TRP HD1 H 7.775 -2.184 4.392 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_2mix 1
. 8 . 2185 . 1 1 9 TRP HE1 H 10.153 -1.861 3.455 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_2mix 1
. 8 . 2186 . 1 1 9 TRP HE3 H 7.534 2.797 3.301 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_2mix 1
. 8 . 2187 . 1 1 9 TRP HH2 H 11.549 2.648 1.906 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_2mix 1
. 8 . 2188 . 1 1 9 TRP HZ2 H 11.712 0.255 2.410 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_2mix 1
. 8 . 2189 . 1 1 9 TRP HZ3 H 9.504 3.893 2.331 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_2mix 1
. 8 . 2190 . 1 1 9 TRP N N 3.815 0.369 3.618 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_2mix 1
. 8 . 2191 . 1 1 9 TRP NE1 N 9.486 -1.135 3.529 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_2mix 1
. 8 . 2192 . 1 1 9 TRP O O 4.963 -2.370 3.472 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_2mix 1
. 8 . 2193 . 1 1 10 ASN C C 7.078 -3.135 0.393 . . . 1.0 . . . . . . . . . . . . A . 10 ASN C . . . . . . . . . rr_2mix 1
. 8 . 2194 . 1 1 10 ASN CA C 5.636 -2.886 0.835 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CA . . . . . . . . . rr_2mix 1
. 8 . 2195 . 1 1 10 ASN CB C 4.676 -3.003 -0.357 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CB . . . . . . . . . rr_2mix 1
. 8 . 2196 . 1 1 10 ASN CG C 4.781 -4.326 -1.101 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CG . . . . . . . . . rr_2mix 1
. 8 . 2197 . 1 1 10 ASN H H 5.648 -0.777 0.891 . . . 1.0 . . . . . . . . . . . . A . 10 ASN H . . . . . . . . . rr_2mix 1
. 8 . 2198 . 1 1 10 ASN HA H 5.367 -3.624 1.577 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HA . . . . . . . . . rr_2mix 1
. 8 . 2199 . 1 1 10 ASN HB2 H 3.663 -2.898 -0.002 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB2 . . . . . . . . . rr_2mix 1
. 8 . 2200 . 1 1 10 ASN HB3 H 4.888 -2.205 -1.054 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB3 . . . . . . . . . rr_2mix 1
. 8 . 2201 . 1 1 10 ASN HD21 H 5.243 -5.296 0.573 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD21 . . . . . . . . . rr_2mix 1
. 8 . 2202 . 1 1 10 ASN HD22 H 5.177 -6.256 -0.860 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD22 . . . . . . . . . rr_2mix 1
. 8 . 2203 . 1 1 10 ASN N N 5.509 -1.574 1.444 . . . 1.0 . . . . . . . . . . . . A . 10 ASN N . . . . . . . . . rr_2mix 1
. 8 . 2204 . 1 1 10 ASN ND2 N 5.095 -5.400 -0.390 . . . 1.0 . . . . . . . . . . . . A . 10 ASN ND2 . . . . . . . . . rr_2mix 1
. 8 . 2205 . 1 1 10 ASN O O 7.467 -2.799 -0.726 . . . 1.0 . . . . . . . . . . . . A . 10 ASN O . . . . . . . . . rr_2mix 1
. 8 . 2206 . 1 1 10 ASN OD1 O 4.564 -4.382 -2.311 . . . 1.0 . . . . . . . . . . . . A . 10 ASN OD1 . . . . . . . . . rr_2mix 1
. 8 . 2207 . 1 1 11 GLY C C 10.249 -3.043 0.922 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2mix 1
. 8 . 2208 . 1 1 11 GLY CA C 9.207 -4.144 0.944 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2mix 1
. 8 . 2209 . 1 1 11 GLY H H 7.550 -3.808 2.215 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2mix 1
. 8 . 2210 . 1 1 11 GLY HA2 H 9.517 -4.883 1.666 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2mix 1
. 8 . 2211 . 1 1 11 GLY HA3 H 9.172 -4.605 -0.028 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2mix 1
. 8 . 2212 . 1 1 11 GLY N N 7.872 -3.697 1.294 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2mix 1
. 8 . 2213 . 1 1 11 GLY O O 10.933 -2.813 1.919 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2mix 1
. 8 . 2214 . 1 1 12 SER C C 10.922 0.011 -0.590 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . rr_2mix 1
. 8 . 2215 . 1 1 12 SER CA C 11.462 -1.401 -0.378 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . rr_2mix 1
. 8 . 2216 . 1 1 12 SER CB C 12.351 -1.810 -1.556 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . rr_2mix 1
. 8 . 2217 . 1 1 12 SER H H 9.760 -2.529 -0.951 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . rr_2mix 1
. 8 . 2218 . 1 1 12 SER HA H 12.055 -1.410 0.524 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . rr_2mix 1
. 8 . 2219 . 1 1 12 SER HB2 H 12.630 -2.847 -1.447 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . rr_2mix 1
. 8 . 2220 . 1 1 12 SER HB3 H 11.803 -1.681 -2.477 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . rr_2mix 1
. 8 . 2221 . 1 1 12 SER HG H 13.408 -0.226 -1.082 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . rr_2mix 1
. 8 . 2222 . 1 1 12 SER N N 10.388 -2.369 -0.210 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . rr_2mix 1
. 8 . 2223 . 1 1 12 SER O O 11.684 0.981 -0.577 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . rr_2mix 1
. 8 . 2224 . 1 1 12 SER OG O 13.532 -1.025 -1.612 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . rr_2mix 1
. 8 . 2225 . 1 1 13 LYS C C 7.637 1.493 -0.307 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mix 1
. 8 . 2226 . 1 1 13 LYS CA C 8.993 1.430 -0.982 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mix 1
. 8 . 2227 . 1 1 13 LYS CB C 8.815 1.725 -2.475 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mix 1
. 8 . 2228 . 1 1 13 LYS CD C 9.861 2.383 -4.670 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mix 1
. 8 . 2229 . 1 1 13 LYS CE C 9.153 1.263 -5.417 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mix 1
. 8 . 2230 . 1 1 13 LYS CG C 10.111 2.026 -3.215 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mix 1
. 8 . 2231 . 1 1 13 LYS H H 9.056 -0.676 -0.788 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mix 1
. 8 . 2232 . 1 1 13 LYS HA H 9.638 2.179 -0.544 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mix 1
. 8 . 2233 . 1 1 13 LYS HB2 H 8.359 0.864 -2.936 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mix 1
. 8 . 2234 . 1 1 13 LYS HB3 H 8.151 2.573 -2.586 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mix 1
. 8 . 2235 . 1 1 13 LYS HD2 H 9.250 3.270 -4.704 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mix 1
. 8 . 2236 . 1 1 13 LYS HD3 H 10.810 2.580 -5.148 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mix 1
. 8 . 2237 . 1 1 13 LYS HE2 H 9.777 0.382 -5.395 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mix 1
. 8 . 2238 . 1 1 13 LYS HE3 H 8.217 1.052 -4.922 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mix 1
. 8 . 2239 . 1 1 13 LYS HG2 H 10.597 2.861 -2.738 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mix 1
. 8 . 2240 . 1 1 13 LYS HG3 H 10.752 1.157 -3.170 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mix 1
. 8 . 2241 . 1 1 13 LYS HZ1 H 8.428 0.829 -7.325 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mix 1
. 8 . 2242 . 1 1 13 LYS HZ2 H 9.765 1.864 -7.321 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . rr_2mix 1
. 8 . 2243 . 1 1 13 LYS HZ3 H 8.244 2.449 -6.874 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mix 1
. 8 . 2244 . 1 1 13 LYS N N 9.616 0.130 -0.779 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mix 1
. 8 . 2245 . 1 1 13 LYS NZ N 8.879 1.626 -6.832 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mix 1
. 8 . 2246 . 1 1 13 LYS O O 7.028 0.464 -0.004 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mix 1
. 8 . 2247 . 1 1 14 ASP C C 4.887 3.071 -0.755 . . . 1.0 . . . . . . . . . . . . A . 14 ASP C . . . . . . . . . rr_2mix 1
. 8 . 2248 . 1 1 14 ASP CA C 5.830 2.919 0.426 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CA . . . . . . . . . rr_2mix 1
. 8 . 2249 . 1 1 14 ASP CB C 5.749 4.139 1.359 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CB . . . . . . . . . rr_2mix 1
. 8 . 2250 . 1 1 14 ASP CG C 6.009 5.458 0.662 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CG . . . . . . . . . rr_2mix 1
. 8 . 2251 . 1 1 14 ASP H H 7.751 3.484 -0.238 . . . 1.0 . . . . . . . . . . . . A . 14 ASP H . . . . . . . . . rr_2mix 1
. 8 . 2252 . 1 1 14 ASP HA H 5.546 2.035 0.979 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HA . . . . . . . . . rr_2mix 1
. 8 . 2253 . 1 1 14 ASP HB2 H 4.763 4.179 1.796 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB2 . . . . . . . . . rr_2mix 1
. 8 . 2254 . 1 1 14 ASP HB3 H 6.477 4.023 2.148 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB3 . . . . . . . . . rr_2mix 1
. 8 . 2255 . 1 1 14 ASP N N 7.175 2.708 -0.068 . . . 1.0 . . . . . . . . . . . . A . 14 ASP N . . . . . . . . . rr_2mix 1
. 8 . 2256 . 1 1 14 ASP O O 5.112 3.884 -1.655 . . . 1.0 . . . . . . . . . . . . A . 14 ASP O . . . . . . . . . rr_2mix 1
. 8 . 2257 . 1 1 14 ASP OD1 O 7.180 5.746 0.341 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD1 . . . . . . . . . rr_2mix 1
. 8 . 2258 . 1 1 14 ASP OD2 O 5.042 6.201 0.407 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD2 . . . . . . . . . rr_2mix 1
. 8 . 2259 . 1 1 15 VAL C C 1.553 2.646 -1.337 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . rr_2mix 1
. 8 . 2260 . 1 1 15 VAL CA C 2.910 2.214 -1.847 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . rr_2mix 1
. 8 . 2261 . 1 1 15 VAL CB C 2.809 0.799 -2.456 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . rr_2mix 1
. 8 . 2262 . 1 1 15 VAL CG1 C 1.832 0.779 -3.623 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . rr_2mix 1
. 8 . 2263 . 1 1 15 VAL CG2 C 4.179 0.300 -2.893 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . rr_2mix 1
. 8 . 2264 . 1 1 15 VAL H H 3.690 1.694 0.020 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . rr_2mix 1
. 8 . 2265 . 1 1 15 VAL HA H 3.240 2.899 -2.613 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . rr_2mix 1
. 8 . 2266 . 1 1 15 VAL HB H 2.435 0.130 -1.694 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . rr_2mix 1
. 8 . 2267 . 1 1 15 VAL HG11 H 0.857 1.099 -3.284 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . rr_2mix 1
. 8 . 2268 . 1 1 15 VAL HG12 H 1.765 -0.223 -4.020 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . rr_2mix 1
. 8 . 2269 . 1 1 15 VAL HG13 H 2.181 1.448 -4.395 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . rr_2mix 1
. 8 . 2270 . 1 1 15 VAL HG21 H 4.088 -0.696 -3.297 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . rr_2mix 1
. 8 . 2271 . 1 1 15 VAL HG22 H 4.845 0.285 -2.044 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . rr_2mix 1
. 8 . 2272 . 1 1 15 VAL HG23 H 4.577 0.960 -3.651 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . rr_2mix 1
. 8 . 2273 . 1 1 15 VAL N N 3.851 2.261 -0.760 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . rr_2mix 1
. 8 . 2274 . 1 1 15 VAL O O 0.986 2.033 -0.435 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . rr_2mix 1
. 8 . 2275 . 1 1 16 CYS C C -1.300 3.674 -2.438 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_2mix 1
. 8 . 2276 . 1 1 16 CYS CA C -0.241 4.227 -1.501 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_2mix 1
. 8 . 2277 . 1 1 16 CYS CB C -0.266 5.750 -1.509 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_2mix 1
. 8 . 2278 . 1 1 16 CYS H H 1.614 4.222 -2.521 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_2mix 1
. 8 . 2279 . 1 1 16 CYS HA H -0.461 3.876 -0.508 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_2mix 1
. 8 . 2280 . 1 1 16 CYS HB2 H 0.742 6.126 -1.425 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_2mix 1
. 8 . 2281 . 1 1 16 CYS HB3 H -0.697 6.075 -2.440 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_2mix 1
. 8 . 2282 . 1 1 16 CYS N N 1.069 3.732 -1.874 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_2mix 1
. 8 . 2283 . 1 1 16 CYS O O -1.167 3.730 -3.662 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_2mix 1
. 8 . 2284 . 1 1 16 CYS SG S -1.256 6.479 -0.163 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_2mix 1
. 8 . 2285 . 1 1 17 SER C C -4.738 2.713 -1.838 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . rr_2mix 1
. 8 . 2286 . 1 1 17 SER CA C -3.422 2.489 -2.569 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . rr_2mix 1
. 8 . 2287 . 1 1 17 SER CB C -3.148 0.989 -2.698 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . rr_2mix 1
. 8 . 2288 . 1 1 17 SER H H -2.412 3.214 -0.864 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . rr_2mix 1
. 8 . 2289 . 1 1 17 SER HA H -3.483 2.929 -3.552 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . rr_2mix 1
. 8 . 2290 . 1 1 17 SER HB2 H -3.180 0.534 -1.719 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . rr_2mix 1
. 8 . 2291 . 1 1 17 SER HB3 H -3.904 0.542 -3.325 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . rr_2mix 1
. 8 . 2292 . 1 1 17 SER HG H -1.401 0.089 -2.733 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . rr_2mix 1
. 8 . 2293 . 1 1 17 SER N N -2.347 3.142 -1.840 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . rr_2mix 1
. 8 . 2294 . 1 1 17 SER O O -4.760 3.323 -0.766 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . rr_2mix 1
. 8 . 2295 . 1 1 17 SER OG O -1.875 0.743 -3.272 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . rr_2mix 1
. 8 . 2296 . 1 1 18 GLN C C -7.945 1.149 -1.760 . . . 1.0 . . . . . . . . . . . . A . 18 GLN C . . . . . . . . . rr_2mix 1
. 8 . 2297 . 1 1 18 GLN CA C -7.138 2.444 -1.816 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CA . . . . . . . . . rr_2mix 1
. 8 . 2298 . 1 1 18 GLN CB C -7.884 3.523 -2.599 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CB . . . . . . . . . rr_2mix 1
. 8 . 2299 . 1 1 18 GLN CD C -7.957 5.969 -3.238 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CD . . . . . . . . . rr_2mix 1
. 8 . 2300 . 1 1 18 GLN CG C -7.240 4.884 -2.464 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CG . . . . . . . . . rr_2mix 1
. 8 . 2301 . 1 1 18 GLN H H -5.760 1.729 -3.248 . . . 1.0 . . . . . . . . . . . . A . 18 GLN H . . . . . . . . . rr_2mix 1
. 8 . 2302 . 1 1 18 GLN HA H -6.982 2.800 -0.810 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HA . . . . . . . . . rr_2mix 1
. 8 . 2303 . 1 1 18 GLN HB2 H -7.886 3.258 -3.642 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB2 . . . . . . . . . rr_2mix 1
. 8 . 2304 . 1 1 18 GLN HB3 H -8.901 3.586 -2.240 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB3 . . . . . . . . . rr_2mix 1
. 8 . 2305 . 1 1 18 GLN HE21 H -7.357 7.326 -1.917 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE21 . . . . . . . . . rr_2mix 1
. 8 . 2306 . 1 1 18 GLN HE22 H -8.324 7.919 -3.223 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE22 . . . . . . . . . rr_2mix 1
. 8 . 2307 . 1 1 18 GLN HG2 H -7.225 5.159 -1.420 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG2 . . . . . . . . . rr_2mix 1
. 8 . 2308 . 1 1 18 GLN HG3 H -6.232 4.806 -2.827 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG3 . . . . . . . . . rr_2mix 1
. 8 . 2309 . 1 1 18 GLN N N -5.831 2.232 -2.408 . . . 1.0 . . . . . . . . . . . . A . 18 GLN N . . . . . . . . . rr_2mix 1
. 8 . 2310 . 1 1 18 GLN NE2 N -7.873 7.194 -2.744 . . . 1.0 . . . . . . . . . . . . A . 18 GLN NE2 . . . . . . . . . rr_2mix 1
. 8 . 2311 . 1 1 18 GLN O O -8.811 0.905 -2.600 . . . 1.0 . . . . . . . . . . . . A . 18 GLN O . . . . . . . . . rr_2mix 1
. 8 . 2312 . 1 1 18 GLN OE1 O -8.574 5.714 -4.270 . . . 1.0 . . . . . . . . . . . . A . 18 GLN OE1 . . . . . . . . . rr_2mix 1
. 8 . 2313 . 1 1 19 SER C C -9.681 -0.663 0.166 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_2mix 1
. 8 . 2314 . 1 1 19 SER CA C -8.373 -0.927 -0.570 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_2mix 1
. 8 . 2315 . 1 1 19 SER CB C -7.555 -1.886 0.273 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_2mix 1
. 8 . 2316 . 1 1 19 SER H H -6.913 0.550 -0.151 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_2mix 1
. 8 . 2317 . 1 1 19 SER HA H -8.557 -1.378 -1.534 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_2mix 1
. 8 . 2318 . 1 1 19 SER HB2 H -6.526 -1.858 -0.042 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_2mix 1
. 8 . 2319 . 1 1 19 SER HB3 H -7.617 -1.574 1.297 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_2mix 1
. 8 . 2320 . 1 1 19 SER HG H -7.434 -3.808 0.641 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_2mix 1
. 8 . 2321 . 1 1 19 SER N N -7.650 0.321 -0.767 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_2mix 1
. 8 . 2322 . 1 1 19 SER O O -10.771 -0.933 -0.335 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_2mix 1
. 8 . 2323 . 1 1 19 SER OG O -8.041 -3.215 0.178 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_2mix 1
. 8 . 2324 . 1 1 20 CYS C C -11.391 1.372 2.054 . . . 1.0 . . . . . . . . . . . . A . 20 CYS C . . . . . . . . . rr_2mix 1
. 8 . 2325 . 1 1 20 CYS CA C -10.651 0.060 2.296 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CA . . . . . . . . . rr_2mix 1
. 8 . 2326 . 1 1 20 CYS CB C -10.126 0.011 3.736 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CB . . . . . . . . . rr_2mix 1
. 8 . 2327 . 1 1 20 CYS H H -8.656 0.215 1.633 . . . 1.0 . . . . . . . . . . . . A . 20 CYS H . . . . . . . . . rr_2mix 1
. 8 . 2328 . 1 1 20 CYS HA H -11.333 -0.761 2.145 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HA . . . . . . . . . rr_2mix 1
. 8 . 2329 . 1 1 20 CYS HB2 H -9.531 0.893 3.924 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB2 . . . . . . . . . rr_2mix 1
. 8 . 2330 . 1 1 20 CYS HB3 H -10.965 -0.001 4.417 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB3 . . . . . . . . . rr_2mix 1
. 8 . 2331 . 1 1 20 CYS N N -9.541 -0.103 1.365 . . . 1.0 . . . . . . . . . . . . A . 20 CYS N . . . . . . . . . rr_2mix 1
. 8 . 2332 . 1 1 20 CYS O O -11.903 1.989 2.986 . . . 1.0 . . . . . . . . . . . . A . 20 CYS O . . . . . . . . . rr_2mix 1
. 8 . 2333 . 1 1 20 CYS SG S -9.089 -1.446 4.105 . . . 1.0 . . . . . . . . . . . . A . 20 CYS SG . . . . . . . . . rr_2mix 1
. 8 . 2334 . 1 1 21 CYS C C -12.534 2.970 -1.034 . . . 1.0 . . . . . . . . . . . . A . 21 CYS C . . . . . . . . . rr_2mix 1
. 8 . 2335 . 1 1 21 CYS CA C -12.137 3.017 0.438 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CA . . . . . . . . . rr_2mix 1
. 8 . 2336 . 1 1 21 CYS CB C -11.282 4.255 0.749 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CB . . . . . . . . . rr_2mix 1
. 8 . 2337 . 1 1 21 CYS H H -10.985 1.280 0.101 . . . 1.0 . . . . . . . . . . . . A . 21 CYS H . . . . . . . . . rr_2mix 1
. 8 . 2338 . 1 1 21 CYS HA H -13.038 3.059 1.032 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HA . . . . . . . . . rr_2mix 1
. 8 . 2339 . 1 1 21 CYS HB2 H -11.794 5.133 0.389 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB2 . . . . . . . . . rr_2mix 1
. 8 . 2340 . 1 1 21 CYS HB3 H -11.154 4.334 1.820 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB3 . . . . . . . . . rr_2mix 1
. 8 . 2341 . 1 1 21 CYS N N -11.433 1.800 0.803 . . . 1.0 . . . . . . . . . . . . A . 21 CYS N . . . . . . . . . rr_2mix 1
. 8 . 2342 . 1 1 21 CYS O O -13.688 2.587 -1.323 . . . 1.0 . . . . . . . . . . . . A . 21 CYS O . . . . . . . . . rr_2mix 1
. 8 . 2343 . 1 1 21 CYS OXT O -11.693 3.275 -1.900 . . . 1.0 . . . . . . . . . . . . A . 21 CYS OXT . . . . . . . . . rr_2mix 1
. 8 . 2344 . 1 1 21 CYS SG S -9.623 4.236 -0.007 . . . 1.0 . . . . . . . . . . . . A . 21 CYS SG . . . . . . . . . rr_2mix 1
. 9 . 2345 . 1 1 1 THR C C -1.040 -4.791 -1.129 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . rr_2mix 1
. 9 . 2346 . 1 1 1 THR CA C -0.284 -6.043 -0.662 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . rr_2mix 1
. 9 . 2347 . 1 1 1 THR CB C 0.369 -6.755 -1.875 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . rr_2mix 1
. 9 . 2348 . 1 1 1 THR CG2 C -0.648 -7.022 -2.977 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . rr_2mix 1
. 9 . 2349 . 1 1 1 THR H1 H -0.661 -7.809 0.369 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . rr_2mix 1
. 9 . 2350 . 1 1 1 THR H2 H -1.965 -7.265 -0.548 . . . 1.0 . . . . . . . . . . . . A . 1 THR H2 . . . . . . . . . rr_2mix 1
. 9 . 2351 . 1 1 1 THR H3 H -1.578 -6.498 0.906 . . . 1.0 . . . . . . . . . . . . A . 1 THR H3 . . . . . . . . . rr_2mix 1
. 9 . 2352 . 1 1 1 THR HA H 0.500 -5.738 0.011 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . rr_2mix 1
. 9 . 2353 . 1 1 1 THR HB H 0.764 -7.703 -1.539 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . rr_2mix 1
. 9 . 2354 . 1 1 1 THR HG1 H 1.268 -5.748 -3.318 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . rr_2mix 1
. 9 . 2355 . 1 1 1 THR HG21 H -1.413 -7.687 -2.605 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . rr_2mix 1
. 9 . 2356 . 1 1 1 THR HG22 H -0.152 -7.479 -3.821 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . rr_2mix 1
. 9 . 2357 . 1 1 1 THR HG23 H -1.097 -6.089 -3.284 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . rr_2mix 1
. 9 . 2358 . 1 1 1 THR N N -1.185 -6.966 0.065 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . rr_2mix 1
. 9 . 2359 . 1 1 1 THR O O -0.475 -3.917 -1.786 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . rr_2mix 1
. 9 . 2360 . 1 1 1 THR OG1 O 1.447 -5.970 -2.397 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . rr_2mix 1
. 9 . 2361 . 1 1 2 ARG C C -3.533 -2.817 0.146 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2mix 1
. 9 . 2362 . 1 1 2 ARG CA C -3.164 -3.594 -1.128 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2mix 1
. 9 . 2363 . 1 1 2 ARG CB C -4.409 -4.170 -1.833 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2mix 1
. 9 . 2364 . 1 1 2 ARG CD C -4.670 -2.068 -3.106 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2mix 1
. 9 . 2365 . 1 1 2 ARG CG C -5.392 -3.151 -2.363 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2mix 1
. 9 . 2366 . 1 1 2 ARG CZ C -3.022 -2.051 -4.956 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2mix 1
. 9 . 2367 . 1 1 2 ARG H H -2.725 -5.431 -0.280 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2mix 1
. 9 . 2368 . 1 1 2 ARG HA H -2.620 -2.956 -1.800 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2mix 1
. 9 . 2369 . 1 1 2 ARG HB2 H -4.086 -4.779 -2.662 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2mix 1
. 9 . 2370 . 1 1 2 ARG HB3 H -4.930 -4.794 -1.133 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2mix 1
. 9 . 2371 . 1 1 2 ARG HD2 H -5.348 -1.246 -3.285 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2mix 1
. 9 . 2372 . 1 1 2 ARG HD3 H -3.869 -1.752 -2.468 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2mix 1
. 9 . 2373 . 1 1 2 ARG HE H -4.622 -3.245 -4.850 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2mix 1
. 9 . 2374 . 1 1 2 ARG HG2 H -6.084 -3.640 -3.027 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2mix 1
. 9 . 2375 . 1 1 2 ARG HG3 H -5.926 -2.717 -1.538 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2mix 1
. 9 . 2376 . 1 1 2 ARG HH11 H -2.569 -0.776 -3.441 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2mix 1
. 9 . 2377 . 1 1 2 ARG HH12 H -1.474 -0.757 -4.788 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2mix 1
. 9 . 2378 . 1 1 2 ARG HH21 H -3.179 -3.220 -6.602 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2mix 1
. 9 . 2379 . 1 1 2 ARG HH22 H -1.816 -2.148 -6.579 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2mix 1
. 9 . 2380 . 1 1 2 ARG N N -2.319 -4.709 -0.776 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2mix 1
. 9 . 2381 . 1 1 2 ARG NE N -4.123 -2.538 -4.382 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2mix 1
. 9 . 2382 . 1 1 2 ARG NH1 N -2.297 -1.124 -4.348 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2mix 1
. 9 . 2383 . 1 1 2 ARG NH2 N -2.640 -2.509 -6.140 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2mix 1
. 9 . 2384 . 1 1 2 ARG O O -4.471 -2.048 0.157 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2mix 1
. 9 . 2385 . 1 1 3 ILE C C -3.928 -1.417 2.745 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_2mix 1
. 9 . 2386 . 1 1 3 ILE CA C -3.019 -2.639 2.577 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_2mix 1
. 9 . 2387 . 1 1 3 ILE CB C -1.737 -2.427 3.416 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_2mix 1
. 9 . 2388 . 1 1 3 ILE CD1 C 0.577 -3.401 3.856 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_2mix 1
. 9 . 2389 . 1 1 3 ILE CG1 C -0.804 -3.624 3.276 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_2mix 1
. 9 . 2390 . 1 1 3 ILE CG2 C -2.087 -2.223 4.879 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_2mix 1
. 9 . 2391 . 1 1 3 ILE H H -1.821 -3.348 0.985 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_2mix 1
. 9 . 2392 . 1 1 3 ILE HA H -3.529 -3.480 2.986 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_2mix 1
. 9 . 2393 . 1 1 3 ILE HB H -1.236 -1.542 3.059 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_2mix 1
. 9 . 2394 . 1 1 3 ILE HD11 H 1.100 -2.657 3.269 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_2mix 1
. 9 . 2395 . 1 1 3 ILE HD12 H 1.130 -4.327 3.836 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_2mix 1
. 9 . 2396 . 1 1 3 ILE HD13 H 0.488 -3.056 4.875 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_2mix 1
. 9 . 2397 . 1 1 3 ILE HG12 H -1.239 -4.475 3.778 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_2mix 1
. 9 . 2398 . 1 1 3 ILE HG13 H -0.692 -3.848 2.239 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_2mix 1
. 9 . 2399 . 1 1 3 ILE HG21 H -1.185 -2.039 5.440 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_2mix 1
. 9 . 2400 . 1 1 3 ILE HG22 H -2.570 -3.111 5.256 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_2mix 1
. 9 . 2401 . 1 1 3 ILE HG23 H -2.754 -1.380 4.976 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_2mix 1
. 9 . 2402 . 1 1 3 ILE N N -2.696 -2.982 1.175 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_2mix 1
. 9 . 2403 . 1 1 3 ILE O O -3.479 -0.273 2.771 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_2mix 1
. 9 . 2404 . 1 1 4 CYS C C -6.149 0.520 2.331 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2mix 1
. 9 . 2405 . 1 1 4 CYS CA C -6.260 -0.732 3.208 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2mix 1
. 9 . 2406 . 1 1 4 CYS CB C -6.251 -0.324 4.681 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2mix 1
. 9 . 2407 . 1 1 4 CYS H H -5.451 -2.668 2.875 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2mix 1
. 9 . 2408 . 1 1 4 CYS HA H -7.205 -1.206 3.000 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2mix 1
. 9 . 2409 . 1 1 4 CYS HB2 H -5.578 -0.967 5.226 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2mix 1
. 9 . 2410 . 1 1 4 CYS HB3 H -5.913 0.703 4.756 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2mix 1
. 9 . 2411 . 1 1 4 CYS N N -5.204 -1.722 2.936 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2mix 1
. 9 . 2412 . 1 1 4 CYS O O -5.648 0.477 1.210 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2mix 1
. 9 . 2413 . 1 1 4 CYS SG S -7.893 -0.421 5.472 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2mix 1
. 9 . 2414 . 1 1 5 CYS C C -5.415 3.718 2.838 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_2mix 1
. 9 . 2415 . 1 1 5 CYS CA C -6.519 2.910 2.174 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_2mix 1
. 9 . 2416 . 1 1 5 CYS CB C -7.819 3.691 2.254 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_2mix 1
. 9 . 2417 . 1 1 5 CYS H H -7.211 1.568 3.654 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_2mix 1
. 9 . 2418 . 1 1 5 CYS HA H -6.269 2.741 1.144 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_2mix 1
. 9 . 2419 . 1 1 5 CYS HB2 H -7.994 3.947 3.281 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_2mix 1
. 9 . 2420 . 1 1 5 CYS HB3 H -7.732 4.593 1.667 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_2mix 1
. 9 . 2421 . 1 1 5 CYS N N -6.672 1.623 2.834 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_2mix 1
. 9 . 2422 . 1 1 5 CYS O O -5.301 3.744 4.066 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_2mix 1
. 9 . 2423 . 1 1 5 CYS SG S -9.268 2.773 1.659 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_2mix 1
. 9 . 2424 . 1 1 6 GLY C C -2.193 4.763 1.968 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . rr_2mix 1
. 9 . 2425 . 1 1 6 GLY CA C -3.522 5.177 2.547 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . rr_2mix 1
. 9 . 2426 . 1 1 6 GLY H H -4.714 4.277 1.053 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . rr_2mix 1
. 9 . 2427 . 1 1 6 GLY HA2 H -3.709 6.213 2.300 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . rr_2mix 1
. 9 . 2428 . 1 1 6 GLY HA3 H -3.487 5.070 3.621 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . rr_2mix 1
. 9 . 2429 . 1 1 6 GLY N N -4.598 4.367 2.027 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . rr_2mix 1
. 9 . 2430 . 1 1 6 GLY O O -2.140 4.223 0.863 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . rr_2mix 1
. 9 . 2431 . 1 1 7 CYS C C 0.799 3.582 3.200 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_2mix 1
. 9 . 2432 . 1 1 7 CYS CA C 0.201 4.616 2.258 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_2mix 1
. 9 . 2433 . 1 1 7 CYS CB C 1.105 5.846 2.177 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_2mix 1
. 9 . 2434 . 1 1 7 CYS H H -1.229 5.425 3.584 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_2mix 1
. 9 . 2435 . 1 1 7 CYS HA H 0.107 4.182 1.274 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_2mix 1
. 9 . 2436 . 1 1 7 CYS HB2 H 1.178 6.293 3.155 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_2mix 1
. 9 . 2437 . 1 1 7 CYS HB3 H 2.088 5.541 1.851 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_2mix 1
. 9 . 2438 . 1 1 7 CYS N N -1.125 4.991 2.710 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_2mix 1
. 9 . 2439 . 1 1 7 CYS O O 0.883 3.797 4.411 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_2mix 1
. 9 . 2440 . 1 1 7 CYS SG S 0.514 7.131 1.027 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_2mix 1
. 9 . 2441 . 1 1 8 TYR C C 3.104 0.961 2.878 . . . 1.0 . . . . . . . . . . . . A . 8 TYR C . . . . . . . . . rr_2mix 1
. 9 . 2442 . 1 1 8 TYR CA C 1.743 1.357 3.414 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CA . . . . . . . . . rr_2mix 1
. 9 . 2443 . 1 1 8 TYR CB C 0.801 0.160 3.374 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CB . . . . . . . . . rr_2mix 1
. 9 . 2444 . 1 1 8 TYR CD1 C 1.239 -0.892 1.131 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD1 . . . . . . . . . rr_2mix 1
. 9 . 2445 . 1 1 8 TYR CD2 C -0.915 0.037 1.512 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD2 . . . . . . . . . rr_2mix 1
. 9 . 2446 . 1 1 8 TYR CE1 C 0.864 -1.258 -0.141 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE1 . . . . . . . . . rr_2mix 1
. 9 . 2447 . 1 1 8 TYR CE2 C -1.303 -0.330 0.239 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE2 . . . . . . . . . rr_2mix 1
. 9 . 2448 . 1 1 8 TYR CG C 0.364 -0.240 1.981 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CG . . . . . . . . . rr_2mix 1
. 9 . 2449 . 1 1 8 TYR CZ C -0.469 -0.969 -0.568 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CZ . . . . . . . . . rr_2mix 1
. 9 . 2450 . 1 1 8 TYR H H 1.097 2.337 1.671 . . . 1.0 . . . . . . . . . . . . A . 8 TYR H . . . . . . . . . rr_2mix 1
. 9 . 2451 . 1 1 8 TYR HA H 1.851 1.690 4.434 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HA . . . . . . . . . rr_2mix 1
. 9 . 2452 . 1 1 8 TYR HB2 H 1.301 -0.684 3.812 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB2 . . . . . . . . . rr_2mix 1
. 9 . 2453 . 1 1 8 TYR HB3 H -0.084 0.387 3.949 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB3 . . . . . . . . . rr_2mix 1
. 9 . 2454 . 1 1 8 TYR HD1 H 2.240 -1.108 1.476 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD1 . . . . . . . . . rr_2mix 1
. 9 . 2455 . 1 1 8 TYR HD2 H -1.613 0.545 2.161 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD2 . . . . . . . . . rr_2mix 1
. 9 . 2456 . 1 1 8 TYR HE1 H 1.573 -1.750 -0.788 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE1 . . . . . . . . . rr_2mix 1
. 9 . 2457 . 1 1 8 TYR HE2 H -2.299 -0.104 -0.109 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE2 . . . . . . . . . rr_2mix 1
. 9 . 2458 . 1 1 8 TYR HH H -1.220 -0.605 -2.290 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HH . . . . . . . . . rr_2mix 1
. 9 . 2459 . 1 1 8 TYR N N 1.191 2.450 2.640 . . . 1.0 . . . . . . . . . . . . A . 8 TYR N . . . . . . . . . rr_2mix 1
. 9 . 2460 . 1 1 8 TYR O O 3.438 1.270 1.739 . . . 1.0 . . . . . . . . . . . . A . 8 TYR O . . . . . . . . . rr_2mix 1
. 9 . 2461 . 1 1 8 TYR OH O -0.788 -1.350 -1.852 . . . 1.0 . . . . . . . . . . . . A . 8 TYR OH . . . . . . . . . rr_2mix 1
. 9 . 2462 . 1 1 9 TRP C C 5.147 -1.577 2.735 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_2mix 1
. 9 . 2463 . 1 1 9 TRP CA C 5.202 -0.152 3.264 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_2mix 1
. 9 . 2464 . 1 1 9 TRP CB C 6.219 -0.063 4.402 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_2mix 1
. 9 . 2465 . 1 1 9 TRP CD1 C 8.167 -1.628 3.867 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_2mix 1
. 9 . 2466 . 1 1 9 TRP CD2 C 8.594 0.533 3.488 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_2mix 1
. 9 . 2467 . 1 1 9 TRP CE2 C 9.734 -0.214 3.147 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_2mix 1
. 9 . 2468 . 1 1 9 TRP CE3 C 8.628 1.920 3.335 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_2mix 1
. 9 . 2469 . 1 1 9 TRP CG C 7.605 -0.391 3.946 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_2mix 1
. 9 . 2470 . 1 1 9 TRP CH2 C 10.892 1.742 2.519 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_2mix 1
. 9 . 2471 . 1 1 9 TRP CZ2 C 10.891 0.384 2.660 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_2mix 1
. 9 . 2472 . 1 1 9 TRP CZ3 C 9.776 2.508 2.853 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_2mix 1
. 9 . 2473 . 1 1 9 TRP H H 3.558 0.032 4.584 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_2mix 1
. 9 . 2474 . 1 1 9 TRP HA H 5.515 0.500 2.463 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_2mix 1
. 9 . 2475 . 1 1 9 TRP HB2 H 6.224 0.938 4.800 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_2mix 1
. 9 . 2476 . 1 1 9 TRP HB3 H 5.947 -0.758 5.179 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_2mix 1
. 9 . 2477 . 1 1 9 TRP HD1 H 7.664 -2.542 4.143 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_2mix 1
. 9 . 2478 . 1 1 9 TRP HE1 H 10.057 -2.296 3.223 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_2mix 1
. 9 . 2479 . 1 1 9 TRP HE3 H 7.776 2.530 3.586 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_2mix 1
. 9 . 2480 . 1 1 9 TRP HH2 H 11.767 2.247 2.147 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_2mix 1
. 9 . 2481 . 1 1 9 TRP HZ2 H 11.760 -0.191 2.388 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_2mix 1
. 9 . 2482 . 1 1 9 TRP HZ3 H 9.818 3.577 2.723 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_2mix 1
. 9 . 2483 . 1 1 9 TRP N N 3.885 0.277 3.691 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_2mix 1
. 9 . 2484 . 1 1 9 TRP NE1 N 9.445 -1.534 3.382 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_2mix 1
. 9 . 2485 . 1 1 9 TRP O O 4.924 -2.525 3.492 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_2mix 1
. 9 . 2486 . 1 1 10 ASN C C 6.796 -3.290 0.238 . . . 1.0 . . . . . . . . . . . . A . 10 ASN C . . . . . . . . . rr_2mix 1
. 9 . 2487 . 1 1 10 ASN CA C 5.405 -3.034 0.814 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CA . . . . . . . . . rr_2mix 1
. 9 . 2488 . 1 1 10 ASN CB C 4.348 -3.157 -0.289 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CB . . . . . . . . . rr_2mix 1
. 9 . 2489 . 1 1 10 ASN CG C 4.367 -4.511 -0.988 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CG . . . . . . . . . rr_2mix 1
. 9 . 2490 . 1 1 10 ASN H H 5.439 -0.921 0.878 . . . 1.0 . . . . . . . . . . . . A . 10 ASN H . . . . . . . . . rr_2mix 1
. 9 . 2491 . 1 1 10 ASN HA H 5.203 -3.770 1.576 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HA . . . . . . . . . rr_2mix 1
. 9 . 2492 . 1 1 10 ASN HB2 H 3.370 -3.013 0.144 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB2 . . . . . . . . . rr_2mix 1
. 9 . 2493 . 1 1 10 ASN HB3 H 4.522 -2.390 -1.029 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB3 . . . . . . . . . rr_2mix 1
. 9 . 2494 . 1 1 10 ASN HD21 H 4.860 -5.446 0.700 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD21 . . . . . . . . . rr_2mix 1
. 9 . 2495 . 1 1 10 ASN HD22 H 4.675 -6.451 -0.693 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD22 . . . . . . . . . rr_2mix 1
. 9 . 2496 . 1 1 10 ASN N N 5.342 -1.721 1.436 . . . 1.0 . . . . . . . . . . . . A . 10 ASN N . . . . . . . . . rr_2mix 1
. 9 . 2497 . 1 1 10 ASN ND2 N 4.665 -5.574 -0.254 . . . 1.0 . . . . . . . . . . . . A . 10 ASN ND2 . . . . . . . . . rr_2mix 1
. 9 . 2498 . 1 1 10 ASN O O 7.086 -2.942 -0.911 . . . 1.0 . . . . . . . . . . . . A . 10 ASN O . . . . . . . . . rr_2mix 1
. 9 . 2499 . 1 1 10 ASN OD1 O 4.098 -4.600 -2.185 . . . 1.0 . . . . . . . . . . . . A . 10 ASN OD1 . . . . . . . . . rr_2mix 1
. 9 . 2500 . 1 1 11 GLY C C 10.035 -3.261 0.647 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2mix 1
. 9 . 2501 . 1 1 11 GLY CA C 8.956 -4.321 0.586 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2mix 1
. 9 . 2502 . 1 1 11 GLY H H 7.417 -4.002 1.999 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2mix 1
. 9 . 2503 . 1 1 11 GLY HA2 H 9.268 -5.151 1.198 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2mix 1
. 9 . 2504 . 1 1 11 GLY HA3 H 8.858 -4.658 -0.434 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2mix 1
. 9 . 2505 . 1 1 11 GLY N N 7.661 -3.873 1.057 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2mix 1
. 9 . 2506 . 1 1 11 GLY O O 10.755 -3.161 1.641 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2mix 1
. 9 . 2507 . 1 1 12 SER C C 10.765 -0.084 -0.562 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . rr_2mix 1
. 9 . 2508 . 1 1 12 SER CA C 11.259 -1.527 -0.497 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . rr_2mix 1
. 9 . 2509 . 1 1 12 SER CB C 12.118 -1.843 -1.717 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . rr_2mix 1
. 9 . 2510 . 1 1 12 SER H H 9.538 -2.552 -1.156 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . rr_2mix 1
. 9 . 2511 . 1 1 12 SER HA H 11.864 -1.643 0.387 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . rr_2mix 1
. 9 . 2512 . 1 1 12 SER HB2 H 11.534 -1.703 -2.613 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . rr_2mix 1
. 9 . 2513 . 1 1 12 SER HB3 H 12.964 -1.183 -1.734 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . rr_2mix 1
. 9 . 2514 . 1 1 12 SER HG H 11.847 -3.779 -1.877 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . rr_2mix 1
. 9 . 2515 . 1 1 12 SER N N 10.171 -2.480 -0.413 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . rr_2mix 1
. 9 . 2516 . 1 1 12 SER O O 11.567 0.847 -0.505 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . rr_2mix 1
. 9 . 2517 . 1 1 12 SER OG O 12.581 -3.184 -1.678 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . rr_2mix 1
. 9 . 2518 . 1 1 13 LYS C C 7.534 1.571 -0.135 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mix 1
. 9 . 2519 . 1 1 13 LYS CA C 8.905 1.457 -0.778 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mix 1
. 9 . 2520 . 1 1 13 LYS CB C 8.790 1.877 -2.240 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mix 1
. 9 . 2521 . 1 1 13 LYS CD C 9.947 2.596 -4.334 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mix 1
. 9 . 2522 . 1 1 13 LYS CE C 9.038 3.791 -4.587 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mix 1
. 9 . 2523 . 1 1 13 LYS CG C 10.107 2.300 -2.862 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mix 1
. 9 . 2524 . 1 1 13 LYS H H 8.849 -0.660 -0.670 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mix 1
. 9 . 2525 . 1 1 13 LYS HA H 9.584 2.126 -0.279 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mix 1
. 9 . 2526 . 1 1 13 LYS HB2 H 8.402 1.045 -2.808 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mix 1
. 9 . 2527 . 1 1 13 LYS HB3 H 8.095 2.704 -2.311 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mix 1
. 9 . 2528 . 1 1 13 LYS HD2 H 10.917 2.795 -4.761 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mix 1
. 9 . 2529 . 1 1 13 LYS HD3 H 9.521 1.726 -4.794 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mix 1
. 9 . 2530 . 1 1 13 LYS HE2 H 8.927 3.922 -5.653 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mix 1
. 9 . 2531 . 1 1 13 LYS HE3 H 8.072 3.592 -4.147 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mix 1
. 9 . 2532 . 1 1 13 LYS HG2 H 10.465 3.184 -2.361 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mix 1
. 9 . 2533 . 1 1 13 LYS HG3 H 10.820 1.500 -2.746 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mix 1
. 9 . 2534 . 1 1 13 LYS HZ1 H 9.693 4.943 -2.972 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mix 1
. 9 . 2535 . 1 1 13 LYS HZ2 H 8.953 5.841 -4.197 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . rr_2mix 1
. 9 . 2536 . 1 1 13 LYS HZ3 H 10.522 5.250 -4.413 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mix 1
. 9 . 2537 . 1 1 13 LYS N N 9.456 0.110 -0.669 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mix 1
. 9 . 2538 . 1 1 13 LYS NZ N 9.590 5.042 -4.001 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mix 1
. 9 . 2539 . 1 1 13 LYS O O 6.897 0.570 0.203 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mix 1
. 9 . 2540 . 1 1 14 ASP C C 4.825 3.101 -0.730 . . . 1.0 . . . . . . . . . . . . A . 14 ASP C . . . . . . . . . rr_2mix 1
. 9 . 2541 . 1 1 14 ASP CA C 5.748 3.108 0.477 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CA . . . . . . . . . rr_2mix 1
. 9 . 2542 . 1 1 14 ASP CB C 5.671 4.482 1.157 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CB . . . . . . . . . rr_2mix 1
. 9 . 2543 . 1 1 14 ASP CG C 6.600 4.627 2.347 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CG . . . . . . . . . rr_2mix 1
. 9 . 2544 . 1 1 14 ASP H H 7.706 3.557 -0.157 . . . 1.0 . . . . . . . . . . . . A . 14 ASP H . . . . . . . . . rr_2mix 1
. 9 . 2545 . 1 1 14 ASP HA H 5.438 2.341 1.170 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HA . . . . . . . . . rr_2mix 1
. 9 . 2546 . 1 1 14 ASP HB2 H 5.929 5.242 0.438 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB2 . . . . . . . . . rr_2mix 1
. 9 . 2547 . 1 1 14 ASP HB3 H 4.659 4.647 1.496 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB3 . . . . . . . . . rr_2mix 1
. 9 . 2548 . 1 1 14 ASP N N 7.098 2.813 0.033 . . . 1.0 . . . . . . . . . . . . A . 14 ASP N . . . . . . . . . rr_2mix 1
. 9 . 2549 . 1 1 14 ASP O O 5.066 3.812 -1.708 . . . 1.0 . . . . . . . . . . . . A . 14 ASP O . . . . . . . . . rr_2mix 1
. 9 . 2550 . 1 1 14 ASP OD1 O 7.764 5.043 2.145 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD1 . . . . . . . . . rr_2mix 1
. 9 . 2551 . 1 1 14 ASP OD2 O 6.167 4.354 3.489 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD2 . . . . . . . . . rr_2mix 1
. 9 . 2552 . 1 1 15 VAL C C 1.467 2.587 -1.278 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . rr_2mix 1
. 9 . 2553 . 1 1 15 VAL CA C 2.846 2.173 -1.757 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . rr_2mix 1
. 9 . 2554 . 1 1 15 VAL CB C 2.797 0.731 -2.307 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . rr_2mix 1
. 9 . 2555 . 1 1 15 VAL CG1 C 1.865 0.639 -3.506 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . rr_2mix 1
. 9 . 2556 . 1 1 15 VAL CG2 C 4.193 0.249 -2.673 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . rr_2mix 1
. 9 . 2557 . 1 1 15 VAL H H 3.620 1.794 0.156 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . rr_2mix 1
. 9 . 2558 . 1 1 15 VAL HA H 3.159 2.836 -2.550 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . rr_2mix 1
. 9 . 2559 . 1 1 15 VAL HB H 2.410 0.086 -1.530 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . rr_2mix 1
. 9 . 2560 . 1 1 15 VAL HG11 H 1.841 -0.378 -3.867 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . rr_2mix 1
. 9 . 2561 . 1 1 15 VAL HG12 H 2.222 1.291 -4.290 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . rr_2mix 1
. 9 . 2562 . 1 1 15 VAL HG13 H 0.869 0.941 -3.214 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . rr_2mix 1
. 9 . 2563 . 1 1 15 VAL HG21 H 4.135 -0.749 -3.080 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . rr_2mix 1
. 9 . 2564 . 1 1 15 VAL HG22 H 4.816 0.242 -1.790 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . rr_2mix 1
. 9 . 2565 . 1 1 15 VAL HG23 H 4.622 0.915 -3.410 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . rr_2mix 1
. 9 . 2566 . 1 1 15 VAL N N 3.783 2.300 -0.666 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . rr_2mix 1
. 9 . 2567 . 1 1 15 VAL O O 0.888 1.965 -0.389 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . rr_2mix 1
. 9 . 2568 . 1 1 16 CYS C C -1.399 3.629 -2.430 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_2mix 1
. 9 . 2569 . 1 1 16 CYS CA C -0.342 4.167 -1.476 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_2mix 1
. 9 . 2570 . 1 1 16 CYS CB C -0.360 5.691 -1.501 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_2mix 1
. 9 . 2571 . 1 1 16 CYS H H 1.526 4.159 -2.473 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_2mix 1
. 9 . 2572 . 1 1 16 CYS HA H -0.570 3.829 -0.477 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_2mix 1
. 9 . 2573 . 1 1 16 CYS HB2 H -0.453 6.019 -2.518 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_2mix 1
. 9 . 2574 . 1 1 16 CYS HB3 H -1.213 6.040 -0.938 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_2mix 1
. 9 . 2575 . 1 1 16 CYS N N 0.978 3.669 -1.826 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_2mix 1
. 9 . 2576 . 1 1 16 CYS O O -1.125 3.402 -3.611 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_2mix 1
. 9 . 2577 . 1 1 16 CYS SG S 1.128 6.471 -0.791 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_2mix 1
. 9 . 2578 . 1 1 17 SER C C -4.987 2.900 -1.810 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . rr_2mix 1
. 9 . 2579 . 1 1 17 SER CA C -3.735 2.946 -2.681 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . rr_2mix 1
. 9 . 2580 . 1 1 17 SER CB C -3.437 1.560 -3.257 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . rr_2mix 1
. 9 . 2581 . 1 1 17 SER H H -2.743 3.667 -0.958 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . rr_2mix 1
. 9 . 2582 . 1 1 17 SER HA H -3.903 3.636 -3.494 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . rr_2mix 1
. 9 . 2583 . 1 1 17 SER HB2 H -4.319 1.184 -3.754 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . rr_2mix 1
. 9 . 2584 . 1 1 17 SER HB3 H -2.629 1.635 -3.969 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . rr_2mix 1
. 9 . 2585 . 1 1 17 SER HG H -2.420 1.058 -1.660 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . rr_2mix 1
. 9 . 2586 . 1 1 17 SER N N -2.603 3.443 -1.905 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . rr_2mix 1
. 9 . 2587 . 1 1 17 SER O O -4.950 3.284 -0.638 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . rr_2mix 1
. 9 . 2588 . 1 1 17 SER OG O -3.067 0.645 -2.242 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . rr_2mix 1
. 9 . 2589 . 1 1 18 GLN C C -7.980 1.028 -1.665 . . . 1.0 . . . . . . . . . . . . A . 18 GLN C . . . . . . . . . rr_2mix 1
. 9 . 2590 . 1 1 18 GLN CA C -7.368 2.428 -1.680 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CA . . . . . . . . . rr_2mix 1
. 9 . 2591 . 1 1 18 GLN CB C -8.358 3.399 -2.339 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CB . . . . . . . . . rr_2mix 1
. 9 . 2592 . 1 1 18 GLN CD C -6.842 5.187 -3.321 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CD . . . . . . . . . rr_2mix 1
. 9 . 2593 . 1 1 18 GLN CG C -7.933 4.854 -2.322 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CG . . . . . . . . . rr_2mix 1
. 9 . 2594 . 1 1 18 GLN H H -6.060 2.107 -3.302 . . . 1.0 . . . . . . . . . . . . A . 18 GLN H . . . . . . . . . rr_2mix 1
. 9 . 2595 . 1 1 18 GLN HA H -7.191 2.744 -0.665 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HA . . . . . . . . . rr_2mix 1
. 9 . 2596 . 1 1 18 GLN HB2 H -8.507 3.104 -3.364 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB2 . . . . . . . . . rr_2mix 1
. 9 . 2597 . 1 1 18 GLN HB3 H -9.292 3.331 -1.816 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB3 . . . . . . . . . rr_2mix 1
. 9 . 2598 . 1 1 18 GLN HE21 H -6.132 6.590 -2.110 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE21 . . . . . . . . . rr_2mix 1
. 9 . 2599 . 1 1 18 GLN HE22 H -5.288 6.387 -3.604 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE22 . . . . . . . . . rr_2mix 1
. 9 . 2600 . 1 1 18 GLN HG2 H -8.794 5.467 -2.543 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG2 . . . . . . . . . rr_2mix 1
. 9 . 2601 . 1 1 18 GLN HG3 H -7.583 5.080 -1.334 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG3 . . . . . . . . . rr_2mix 1
. 9 . 2602 . 1 1 18 GLN N N -6.096 2.441 -2.383 . . . 1.0 . . . . . . . . . . . . A . 18 GLN N . . . . . . . . . rr_2mix 1
. 9 . 2603 . 1 1 18 GLN NE2 N -6.004 6.150 -2.978 . . . 1.0 . . . . . . . . . . . . A . 18 GLN NE2 . . . . . . . . . rr_2mix 1
. 9 . 2604 . 1 1 18 GLN O O -8.878 0.731 -2.450 . . . 1.0 . . . . . . . . . . . . A . 18 GLN O . . . . . . . . . rr_2mix 1
. 9 . 2605 . 1 1 18 GLN OE1 O -6.747 4.579 -4.389 . . . 1.0 . . . . . . . . . . . . A . 18 GLN OE1 . . . . . . . . . rr_2mix 1
. 9 . 2606 . 1 1 19 SER C C -9.451 -1.075 0.009 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_2mix 1
. 9 . 2607 . 1 1 19 SER CA C -8.076 -1.169 -0.638 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_2mix 1
. 9 . 2608 . 1 1 19 SER CB C -7.218 -2.047 0.253 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_2mix 1
. 9 . 2609 . 1 1 19 SER H H -6.743 0.428 -0.201 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_2mix 1
. 9 . 2610 . 1 1 19 SER HA H -8.140 -1.617 -1.618 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_2mix 1
. 9 . 2611 . 1 1 19 SER HB2 H -6.176 -1.886 0.027 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_2mix 1
. 9 . 2612 . 1 1 19 SER HB3 H -7.403 -1.782 1.274 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_2mix 1
. 9 . 2613 . 1 1 19 SER HG H -8.471 -3.558 0.219 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_2mix 1
. 9 . 2614 . 1 1 19 SER N N -7.503 0.166 -0.774 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_2mix 1
. 9 . 2615 . 1 1 19 SER O O -10.446 -1.578 -0.511 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_2mix 1
. 9 . 2616 . 1 1 19 SER OG O -7.524 -3.422 0.086 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_2mix 1
. 9 . 2617 . 1 1 20 CYS C C -11.651 0.691 1.597 . . . 1.0 . . . . . . . . . . . . A . 20 CYS C . . . . . . . . . rr_2mix 1
. 9 . 2618 . 1 1 20 CYS CA C -10.639 -0.366 2.028 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CA . . . . . . . . . rr_2mix 1
. 9 . 2619 . 1 1 20 CYS CB C -10.186 -0.117 3.471 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CB . . . . . . . . . rr_2mix 1
. 9 . 2620 . 1 1 20 CYS H H -8.687 0.123 1.405 . . . 1.0 . . . . . . . . . . . . A . 20 CYS H . . . . . . . . . rr_2mix 1
. 9 . 2621 . 1 1 20 CYS HA H -11.102 -1.330 1.978 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HA . . . . . . . . . rr_2mix 1
. 9 . 2622 . 1 1 20 CYS HB2 H -9.676 0.833 3.521 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB2 . . . . . . . . . rr_2mix 1
. 9 . 2623 . 1 1 20 CYS HB3 H -11.052 -0.091 4.116 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB3 . . . . . . . . . rr_2mix 1
. 9 . 2624 . 1 1 20 CYS N N -9.478 -0.393 1.148 . . . 1.0 . . . . . . . . . . . . A . 20 CYS N . . . . . . . . . rr_2mix 1
. 9 . 2625 . 1 1 20 CYS O O -12.575 1.023 2.339 . . . 1.0 . . . . . . . . . . . . A . 20 CYS O . . . . . . . . . rr_2mix 1
. 9 . 2626 . 1 1 20 CYS SG S -9.048 -1.395 4.113 . . . 1.0 . . . . . . . . . . . . A . 20 CYS SG . . . . . . . . . rr_2mix 1
. 9 . 2627 . 1 1 21 CYS C C -12.281 2.288 -1.645 . . . 1.0 . . . . . . . . . . . . A . 21 CYS C . . . . . . . . . rr_2mix 1
. 9 . 2628 . 1 1 21 CYS CA C -12.340 2.257 -0.120 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CA . . . . . . . . . rr_2mix 1
. 9 . 2629 . 1 1 21 CYS CB C -11.961 3.619 0.487 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CB . . . . . . . . . rr_2mix 1
. 9 . 2630 . 1 1 21 CYS H H -10.735 0.895 -0.163 . . . 1.0 . . . . . . . . . . . . A . 21 CYS H . . . . . . . . . rr_2mix 1
. 9 . 2631 . 1 1 21 CYS HA H -13.349 2.013 0.178 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HA . . . . . . . . . rr_2mix 1
. 9 . 2632 . 1 1 21 CYS HB2 H -12.512 4.393 -0.023 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB2 . . . . . . . . . rr_2mix 1
. 9 . 2633 . 1 1 21 CYS HB3 H -12.234 3.624 1.532 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB3 . . . . . . . . . rr_2mix 1
. 9 . 2634 . 1 1 21 CYS N N -11.472 1.216 0.395 . . . 1.0 . . . . . . . . . . . . A . 21 CYS N . . . . . . . . . rr_2mix 1
. 9 . 2635 . 1 1 21 CYS O O -11.653 3.200 -2.213 . . . 1.0 . . . . . . . . . . . . A . 21 CYS O . . . . . . . . . rr_2mix 1
. 9 . 2636 . 1 1 21 CYS OXT O -12.854 1.370 -2.274 . . . 1.0 . . . . . . . . . . . . A . 21 CYS OXT . . . . . . . . . rr_2mix 1
. 9 . 2637 . 1 1 21 CYS SG S -10.187 4.052 0.377 . . . 1.0 . . . . . . . . . . . . A . 21 CYS SG . . . . . . . . . rr_2mix 1
. 10 . 2638 . 1 1 1 THR C C -1.157 -4.959 -0.443 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . rr_2mix 1
. 10 . 2639 . 1 1 1 THR CA C -0.090 -6.050 -0.536 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . rr_2mix 1
. 10 . 2640 . 1 1 1 THR CB C -0.197 -6.775 -1.894 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . rr_2mix 1
. 10 . 2641 . 1 1 1 THR CG2 C 0.044 -5.819 -3.052 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . rr_2mix 1
. 10 . 2642 . 1 1 1 THR H1 H 0.471 -7.778 0.471 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . rr_2mix 1
. 10 . 2643 . 1 1 1 THR H2 H -1.179 -7.423 0.587 . . . 1.0 . . . . . . . . . . . . A . 1 THR H2 . . . . . . . . . rr_2mix 1
. 10 . 2644 . 1 1 1 THR H3 H -0.057 -6.534 1.486 . . . 1.0 . . . . . . . . . . . . A . 1 THR H3 . . . . . . . . . rr_2mix 1
. 10 . 2645 . 1 1 1 THR HA H 0.886 -5.589 -0.472 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . rr_2mix 1
. 10 . 2646 . 1 1 1 THR HB H -1.191 -7.184 -1.988 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . rr_2mix 1
. 10 . 2647 . 1 1 1 THR HG1 H 1.545 -7.551 -2.424 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . rr_2mix 1
. 10 . 2648 . 1 1 1 THR HG21 H -0.036 -6.355 -3.986 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . rr_2mix 1
. 10 . 2649 . 1 1 1 THR HG22 H 1.031 -5.390 -2.967 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . rr_2mix 1
. 10 . 2650 . 1 1 1 THR HG23 H -0.692 -5.031 -3.025 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . rr_2mix 1
. 10 . 2651 . 1 1 1 THR N N -0.223 -7.012 0.578 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . rr_2mix 1
. 10 . 2652 . 1 1 1 THR O O -0.842 -3.798 -0.218 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . rr_2mix 1
. 10 . 2653 . 1 1 1 THR OG1 O 0.756 -7.846 -1.946 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . rr_2mix 1
. 10 . 2654 . 1 1 2 ARG C C -3.932 -3.966 0.843 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2mix 1
. 10 . 2655 . 1 1 2 ARG CA C -3.561 -4.452 -0.570 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2mix 1
. 10 . 2656 . 1 1 2 ARG CB C -4.748 -5.153 -1.225 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2mix 1
. 10 . 2657 . 1 1 2 ARG CD C -6.428 -4.681 -2.984 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2mix 1
. 10 . 2658 . 1 1 2 ARG CG C -5.824 -4.208 -1.700 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2mix 1
. 10 . 2659 . 1 1 2 ARG CZ C -8.441 -6.063 -3.378 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2mix 1
. 10 . 2660 . 1 1 2 ARG H H -2.599 -6.302 -0.767 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2mix 1
. 10 . 2661 . 1 1 2 ARG HA H -3.303 -3.592 -1.165 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2mix 1
. 10 . 2662 . 1 1 2 ARG HB2 H -4.397 -5.722 -2.073 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2mix 1
. 10 . 2663 . 1 1 2 ARG HB3 H -5.189 -5.824 -0.511 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2mix 1
. 10 . 2664 . 1 1 2 ARG HD2 H -7.029 -3.889 -3.406 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2mix 1
. 10 . 2665 . 1 1 2 ARG HD3 H -5.617 -4.911 -3.638 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2mix 1
. 10 . 2666 . 1 1 2 ARG HE H -6.899 -6.581 -2.210 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2mix 1
. 10 . 2667 . 1 1 2 ARG HG2 H -6.595 -4.152 -0.960 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2mix 1
. 10 . 2668 . 1 1 2 ARG HG3 H -5.391 -3.236 -1.850 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2mix 1
. 10 . 2669 . 1 1 2 ARG HH11 H -8.458 -4.286 -4.353 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2mix 1
. 10 . 2670 . 1 1 2 ARG HH12 H -9.855 -5.278 -4.602 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2mix 1
. 10 . 2671 . 1 1 2 ARG HH21 H -8.724 -7.894 -2.556 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2mix 1
. 10 . 2672 . 1 1 2 ARG HH22 H -10.010 -7.332 -3.580 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2mix 1
. 10 . 2673 . 1 1 2 ARG N N -2.418 -5.356 -0.589 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2mix 1
. 10 . 2674 . 1 1 2 ARG NE N -7.253 -5.876 -2.801 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2mix 1
. 10 . 2675 . 1 1 2 ARG NH1 N -8.958 -5.134 -4.175 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2mix 1
. 10 . 2676 . 1 1 2 ARG NH2 N -9.111 -7.185 -3.154 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2mix 1
. 10 . 2677 . 1 1 2 ARG O O -5.111 -3.805 1.141 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2mix 1
. 10 . 2678 . 1 1 3 ILE C C -3.957 -2.092 3.218 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_2mix 1
. 10 . 2679 . 1 1 3 ILE CA C -3.233 -3.435 3.123 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_2mix 1
. 10 . 2680 . 1 1 3 ILE CB C -1.940 -3.353 3.960 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_2mix 1
. 10 . 2681 . 1 1 3 ILE CD1 C 0.607 -3.386 3.772 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_2mix 1
. 10 . 2682 . 1 1 3 ILE CG1 C -0.724 -3.585 3.073 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_2mix 1
. 10 . 2683 . 1 1 3 ILE CG2 C -1.974 -4.356 5.092 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_2mix 1
. 10 . 2684 . 1 1 3 ILE H H -2.027 -3.932 1.446 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_2mix 1
. 10 . 2685 . 1 1 3 ILE HA H -3.859 -4.188 3.547 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_2mix 1
. 10 . 2686 . 1 1 3 ILE HB H -1.879 -2.366 4.385 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_2mix 1
. 10 . 2687 . 1 1 3 ILE HD11 H 1.410 -3.466 3.052 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_2mix 1
. 10 . 2688 . 1 1 3 ILE HD12 H 0.731 -4.140 4.534 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_2mix 1
. 10 . 2689 . 1 1 3 ILE HD13 H 0.631 -2.407 4.229 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_2mix 1
. 10 . 2690 . 1 1 3 ILE HG12 H -0.754 -4.594 2.696 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_2mix 1
. 10 . 2691 . 1 1 3 ILE HG13 H -0.776 -2.899 2.251 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_2mix 1
. 10 . 2692 . 1 1 3 ILE HG21 H -2.092 -5.347 4.686 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_2mix 1
. 10 . 2693 . 1 1 3 ILE HG22 H -2.800 -4.132 5.747 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_2mix 1
. 10 . 2694 . 1 1 3 ILE HG23 H -1.049 -4.301 5.642 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_2mix 1
. 10 . 2695 . 1 1 3 ILE N N -2.950 -3.814 1.732 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_2mix 1
. 10 . 2696 . 1 1 3 ILE O O -3.351 -1.046 3.419 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_2mix 1
. 10 . 2697 . 1 1 4 CYS C C -5.767 0.184 2.495 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2mix 1
. 10 . 2698 . 1 1 4 CYS CA C -6.221 -1.080 3.244 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2mix 1
. 10 . 2699 . 1 1 4 CYS CB C -6.670 -0.747 4.656 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2mix 1
. 10 . 2700 . 1 1 4 CYS H H -5.630 -3.112 3.224 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2mix 1
. 10 . 2701 . 1 1 4 CYS HA H -7.093 -1.444 2.719 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2mix 1
. 10 . 2702 . 1 1 4 CYS HB2 H -5.817 -0.735 5.318 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2mix 1
. 10 . 2703 . 1 1 4 CYS HB3 H -7.148 0.223 4.649 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2mix 1
. 10 . 2704 . 1 1 4 CYS N N -5.270 -2.202 3.237 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2mix 1
. 10 . 2705 . 1 1 4 CYS O O -4.833 0.174 1.696 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2mix 1
. 10 . 2706 . 1 1 4 CYS SG S -7.875 -1.951 5.291 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2mix 1
. 10 . 2707 . 1 1 5 CYS C C -5.545 3.521 2.642 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_2mix 1
. 10 . 2708 . 1 1 5 CYS CA C -6.352 2.456 1.917 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_2mix 1
. 10 . 2709 . 1 1 5 CYS CB C -7.748 2.940 1.556 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_2mix 1
. 10 . 2710 . 1 1 5 CYS H H -7.149 1.272 3.436 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_2mix 1
. 10 . 2711 . 1 1 5 CYS HA H -5.834 2.187 1.009 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_2mix 1
. 10 . 2712 . 1 1 5 CYS HB2 H -7.688 3.882 1.035 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_2mix 1
. 10 . 2713 . 1 1 5 CYS HB3 H -8.193 2.199 0.915 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_2mix 1
. 10 . 2714 . 1 1 5 CYS N N -6.496 1.266 2.714 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_2mix 1
. 10 . 2715 . 1 1 5 CYS O O -5.699 3.734 3.845 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_2mix 1
. 10 . 2716 . 1 1 5 CYS SG S -8.867 3.143 2.977 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_2mix 1
. 10 . 2717 . 1 1 6 GLY C C -2.353 4.850 1.972 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . rr_2mix 1
. 10 . 2718 . 1 1 6 GLY CA C -3.749 5.117 2.473 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . rr_2mix 1
. 10 . 2719 . 1 1 6 GLY H H -4.638 3.992 0.931 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . rr_2mix 1
. 10 . 2720 . 1 1 6 GLY HA2 H -4.047 6.118 2.197 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . rr_2mix 1
. 10 . 2721 . 1 1 6 GLY HA3 H -3.764 5.022 3.549 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . rr_2mix 1
. 10 . 2722 . 1 1 6 GLY N N -4.671 4.169 1.898 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . rr_2mix 1
. 10 . 2723 . 1 1 6 GLY O O -2.179 4.455 0.822 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . rr_2mix 1
. 10 . 2724 . 1 1 7 CYS C C 0.607 3.685 3.341 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_2mix 1
. 10 . 2725 . 1 1 7 CYS CA C 0.014 4.766 2.445 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_2mix 1
. 10 . 2726 . 1 1 7 CYS CB C 0.847 6.045 2.535 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_2mix 1
. 10 . 2727 . 1 1 7 CYS H H -1.559 5.357 3.727 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_2mix 1
. 10 . 2728 . 1 1 7 CYS HA H 0.018 4.417 1.424 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_2mix 1
. 10 . 2729 . 1 1 7 CYS HB2 H 0.830 6.406 3.553 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_2mix 1
. 10 . 2730 . 1 1 7 CYS HB3 H 1.866 5.823 2.254 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_2mix 1
. 10 . 2731 . 1 1 7 CYS N N -1.363 5.035 2.821 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_2mix 1
. 10 . 2732 . 1 1 7 CYS O O 0.592 3.805 4.569 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_2mix 1
. 10 . 2733 . 1 1 7 CYS SG S 0.254 7.395 1.461 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_2mix 1
. 10 . 2734 . 1 1 8 TYR C C 3.105 1.230 2.884 . . . 1.0 . . . . . . . . . . . . A . 8 TYR C . . . . . . . . . rr_2mix 1
. 10 . 2735 . 1 1 8 TYR CA C 1.738 1.546 3.468 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CA . . . . . . . . . rr_2mix 1
. 10 . 2736 . 1 1 8 TYR CB C 0.866 0.282 3.469 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CB . . . . . . . . . rr_2mix 1
. 10 . 2737 . 1 1 8 TYR CD1 C 1.105 -0.259 1.019 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD1 . . . . . . . . . rr_2mix 1
. 10 . 2738 . 1 1 8 TYR CD2 C -1.075 -0.326 1.957 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CD2 . . . . . . . . . rr_2mix 1
. 10 . 2739 . 1 1 8 TYR CE1 C 0.595 -0.609 -0.212 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE1 . . . . . . . . . rr_2mix 1
. 10 . 2740 . 1 1 8 TYR CE2 C -1.598 -0.680 0.727 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CE2 . . . . . . . . . rr_2mix 1
. 10 . 2741 . 1 1 8 TYR CG C 0.285 -0.117 2.125 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CG . . . . . . . . . rr_2mix 1
. 10 . 2742 . 1 1 8 TYR CZ C -0.804 -0.873 -0.317 . . . 1.0 . . . . . . . . . . . . A . 8 TYR CZ . . . . . . . . . rr_2mix 1
. 10 . 2743 . 1 1 8 TYR H H 1.038 2.546 1.753 . . . 1.0 . . . . . . . . . . . . A . 8 TYR H . . . . . . . . . rr_2mix 1
. 10 . 2744 . 1 1 8 TYR HA H 1.867 1.881 4.487 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HA . . . . . . . . . rr_2mix 1
. 10 . 2745 . 1 1 8 TYR HB2 H 1.467 -0.538 3.805 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB2 . . . . . . . . . rr_2mix 1
. 10 . 2746 . 1 1 8 TYR HB3 H 0.045 0.424 4.156 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HB3 . . . . . . . . . rr_2mix 1
. 10 . 2747 . 1 1 8 TYR HD1 H 2.168 -0.081 1.126 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD1 . . . . . . . . . rr_2mix 1
. 10 . 2748 . 1 1 8 TYR HD2 H -1.729 -0.214 2.809 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HD2 . . . . . . . . . rr_2mix 1
. 10 . 2749 . 1 1 8 TYR HE1 H 1.259 -0.710 -1.060 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE1 . . . . . . . . . rr_2mix 1
. 10 . 2750 . 1 1 8 TYR HE2 H -2.660 -0.839 0.616 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HE2 . . . . . . . . . rr_2mix 1
. 10 . 2751 . 1 1 8 TYR HH H -2.021 -0.605 -1.783 . . . 1.0 . . . . . . . . . . . . A . 8 TYR HH . . . . . . . . . rr_2mix 1
. 10 . 2752 . 1 1 8 TYR N N 1.103 2.618 2.729 . . . 1.0 . . . . . . . . . . . . A . 8 TYR N . . . . . . . . . rr_2mix 1
. 10 . 2753 . 1 1 8 TYR O O 3.381 1.538 1.726 . . . 1.0 . . . . . . . . . . . . A . 8 TYR O . . . . . . . . . rr_2mix 1
. 10 . 2754 . 1 1 8 TYR OH O -1.267 -1.171 -1.580 . . . 1.0 . . . . . . . . . . . . A . 8 TYR OH . . . . . . . . . rr_2mix 1
. 10 . 2755 . 1 1 9 TRP C C 5.134 -1.192 2.584 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_2mix 1
. 10 . 2756 . 1 1 9 TRP CA C 5.255 0.191 3.201 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_2mix 1
. 10 . 2757 . 1 1 9 TRP CB C 6.300 0.178 4.319 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_2mix 1
. 10 . 2758 . 1 1 9 TRP CD1 C 8.185 -1.480 3.819 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_2mix 1
. 10 . 2759 . 1 1 9 TRP CD2 C 8.650 0.636 3.258 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_2mix 1
. 10 . 2760 . 1 1 9 TRP CE2 C 9.751 -0.170 2.923 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_2mix 1
. 10 . 2761 . 1 1 9 TRP CE3 C 8.716 2.008 2.999 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_2mix 1
. 10 . 2762 . 1 1 9 TRP CG C 7.656 -0.223 3.828 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_2mix 1
. 10 . 2763 . 1 1 9 TRP CH2 C 10.936 1.696 2.096 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_2mix 1
. 10 . 2764 . 1 1 9 TRP CZ2 C 10.902 0.350 2.339 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_2mix 1
. 10 . 2765 . 1 1 9 TRP CZ3 C 9.858 2.522 2.420 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_2mix 1
. 10 . 2766 . 1 1 9 TRP H H 3.712 0.448 4.619 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_2mix 1
. 10 . 2767 . 1 1 9 TRP HA H 5.567 0.886 2.435 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_2mix 1
. 10 . 2768 . 1 1 9 TRP HB2 H 6.375 1.164 4.750 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_2mix 1
. 10 . 2769 . 1 1 9 TRP HB3 H 5.998 -0.525 5.081 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_2mix 1
. 10 . 2770 . 1 1 9 TRP HD1 H 7.672 -2.355 4.186 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_2mix 1
. 10 . 2771 . 1 1 9 TRP HE1 H 10.021 -2.246 3.141 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_2mix 1
. 10 . 2772 . 1 1 9 TRP HE3 H 7.896 2.664 3.241 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_2mix 1
. 10 . 2773 . 1 1 9 TRP HH2 H 11.807 2.142 1.644 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_2mix 1
. 10 . 2774 . 1 1 9 TRP HZ2 H 11.743 -0.273 2.079 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_2mix 1
. 10 . 2775 . 1 1 9 TRP HZ3 H 9.925 3.577 2.205 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_2mix 1
. 10 . 2776 . 1 1 9 TRP N N 3.961 0.621 3.685 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_2mix 1
. 10 . 2777 . 1 1 9 TRP NE1 N 9.440 -1.458 3.270 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_2mix 1
. 10 . 2778 . 1 1 9 TRP O O 5.092 -2.201 3.291 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_2mix 1
. 10 . 2779 . 1 1 10 ASN C C 6.387 -2.970 0.187 . . . 1.0 . . . . . . . . . . . . A . 10 ASN C . . . . . . . . . rr_2mix 1
. 10 . 2780 . 1 1 10 ASN CA C 4.986 -2.500 0.563 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CA . . . . . . . . . rr_2mix 1
. 10 . 2781 . 1 1 10 ASN CB C 4.118 -2.363 -0.694 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CB . . . . . . . . . rr_2mix 1
. 10 . 2782 . 1 1 10 ASN CG C 3.839 -3.695 -1.372 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CG . . . . . . . . . rr_2mix 1
. 10 . 2783 . 1 1 10 ASN H H 5.051 -0.401 0.758 . . . 1.0 . . . . . . . . . . . . A . 10 ASN H . . . . . . . . . rr_2mix 1
. 10 . 2784 . 1 1 10 ASN HA H 4.538 -3.226 1.223 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HA . . . . . . . . . rr_2mix 1
. 10 . 2785 . 1 1 10 ASN HB2 H 3.174 -1.916 -0.422 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB2 . . . . . . . . . rr_2mix 1
. 10 . 2786 . 1 1 10 ASN HB3 H 4.623 -1.720 -1.401 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB3 . . . . . . . . . rr_2mix 1
. 10 . 2787 . 1 1 10 ASN HD21 H 2.138 -2.990 -2.122 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD21 . . . . . . . . . rr_2mix 1
. 10 . 2788 . 1 1 10 ASN HD22 H 2.528 -4.627 -2.526 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD22 . . . . . . . . . rr_2mix 1
. 10 . 2789 . 1 1 10 ASN N N 5.058 -1.238 1.267 . . . 1.0 . . . . . . . . . . . . A . 10 ASN N . . . . . . . . . rr_2mix 1
. 10 . 2790 . 1 1 10 ASN ND2 N 2.722 -3.779 -2.074 . . . 1.0 . . . . . . . . . . . . A . 10 ASN ND2 . . . . . . . . . rr_2mix 1
. 10 . 2791 . 1 1 10 ASN O O 6.885 -2.665 -0.897 . . . 1.0 . . . . . . . . . . . . A . 10 ASN O . . . . . . . . . rr_2mix 1
. 10 . 2792 . 1 1 10 ASN OD1 O 4.620 -4.640 -1.275 . . . 1.0 . . . . . . . . . . . . A . 10 ASN OD1 . . . . . . . . . rr_2mix 1
. 10 . 2793 . 1 1 11 GLY C C 9.458 -3.450 0.616 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2mix 1
. 10 . 2794 . 1 1 11 GLY CA C 8.275 -4.377 0.824 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2mix 1
. 10 . 2795 . 1 1 11 GLY H H 6.609 -3.796 1.991 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2mix 1
. 10 . 2796 . 1 1 11 GLY HA2 H 8.501 -5.031 1.651 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2mix 1
. 10 . 2797 . 1 1 11 GLY HA3 H 8.155 -4.977 -0.059 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2mix 1
. 10 . 2798 . 1 1 11 GLY N N 7.012 -3.708 1.101 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2mix 1
. 10 . 2799 . 1 1 11 GLY O O 10.318 -3.329 1.490 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2mix 1
. 10 . 2800 . 1 1 12 SER C C 10.384 -0.530 -0.935 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . rr_2mix 1
. 10 . 2801 . 1 1 12 SER CA C 10.686 -2.029 -0.913 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . rr_2mix 1
. 10 . 2802 . 1 1 12 SER CB C 11.203 -2.490 -2.282 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . rr_2mix 1
. 10 . 2803 . 1 1 12 SER H H 8.755 -2.860 -1.158 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . rr_2mix 1
. 10 . 2804 . 1 1 12 SER HA H 11.451 -2.214 -0.174 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . rr_2mix 1
. 10 . 2805 . 1 1 12 SER HB2 H 11.286 -3.567 -2.286 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . rr_2mix 1
. 10 . 2806 . 1 1 12 SER HB3 H 10.507 -2.181 -3.048 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . rr_2mix 1
. 10 . 2807 . 1 1 12 SER HG H 12.366 -1.156 -3.136 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . rr_2mix 1
. 10 . 2808 . 1 1 12 SER N N 9.519 -2.808 -0.541 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . rr_2mix 1
. 10 . 2809 . 1 1 12 SER O O 11.302 0.286 -0.911 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . rr_2mix 1
. 10 . 2810 . 1 1 12 SER OG O 12.478 -1.937 -2.574 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . rr_2mix 1
. 10 . 2811 . 1 1 13 LYS C C 7.420 1.534 -0.352 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mix 1
. 10 . 2812 . 1 1 13 LYS CA C 8.735 1.249 -1.058 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mix 1
. 10 . 2813 . 1 1 13 LYS CB C 8.622 1.691 -2.513 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mix 1
. 10 . 2814 . 1 1 13 LYS CD C 9.798 2.432 -4.592 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mix 1
. 10 . 2815 . 1 1 13 LYS CE C 9.071 3.763 -4.696 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mix 1
. 10 . 2816 . 1 1 13 LYS CG C 9.964 1.989 -3.161 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mix 1
. 10 . 2817 . 1 1 13 LYS H H 8.405 -0.844 -0.930 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mix 1
. 10 . 2818 . 1 1 13 LYS HA H 9.516 1.823 -0.590 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mix 1
. 10 . 2819 . 1 1 13 LYS HB2 H 8.140 0.907 -3.075 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mix 1
. 10 . 2820 . 1 1 13 LYS HB3 H 8.012 2.584 -2.562 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mix 1
. 10 . 2821 . 1 1 13 LYS HD2 H 10.771 2.527 -5.047 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mix 1
. 10 . 2822 . 1 1 13 LYS HD3 H 9.231 1.681 -5.103 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mix 1
. 10 . 2823 . 1 1 13 LYS HE2 H 8.099 3.665 -4.238 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mix 1
. 10 . 2824 . 1 1 13 LYS HE3 H 9.643 4.513 -4.169 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mix 1
. 10 . 2825 . 1 1 13 LYS HG2 H 10.463 2.768 -2.605 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mix 1
. 10 . 2826 . 1 1 13 LYS HG3 H 10.562 1.092 -3.146 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mix 1
. 10 . 2827 . 1 1 13 LYS HZ1 H 8.294 3.511 -6.618 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mix 1
. 10 . 2828 . 1 1 13 LYS HZ2 H 9.818 4.237 -6.586 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . rr_2mix 1
. 10 . 2829 . 1 1 13 LYS HZ3 H 8.450 5.129 -6.147 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mix 1
. 10 . 2830 . 1 1 13 LYS N N 9.108 -0.162 -0.973 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mix 1
. 10 . 2831 . 1 1 13 LYS NZ N 8.897 4.189 -6.110 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mix 1
. 10 . 2832 . 1 1 13 LYS O O 6.617 0.633 -0.110 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mix 1
. 10 . 2833 . 1 1 14 ASP C C 4.974 3.520 -0.581 . . . 1.0 . . . . . . . . . . . . A . 14 ASP C . . . . . . . . . rr_2mix 1
. 10 . 2834 . 1 1 14 ASP CA C 5.965 3.268 0.544 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CA . . . . . . . . . rr_2mix 1
. 10 . 2835 . 1 1 14 ASP CB C 6.191 4.542 1.363 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CB . . . . . . . . . rr_2mix 1
. 10 . 2836 . 1 1 14 ASP CG C 4.910 5.112 1.944 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CG . . . . . . . . . rr_2mix 1
. 10 . 2837 . 1 1 14 ASP H H 7.935 3.455 -0.191 . . . 1.0 . . . . . . . . . . . . A . 14 ASP H . . . . . . . . . rr_2mix 1
. 10 . 2838 . 1 1 14 ASP HA H 5.580 2.492 1.186 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HA . . . . . . . . . rr_2mix 1
. 10 . 2839 . 1 1 14 ASP HB2 H 6.863 4.322 2.177 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB2 . . . . . . . . . rr_2mix 1
. 10 . 2840 . 1 1 14 ASP HB3 H 6.639 5.292 0.727 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB3 . . . . . . . . . rr_2mix 1
. 10 . 2841 . 1 1 14 ASP N N 7.218 2.803 -0.027 . . . 1.0 . . . . . . . . . . . . A . 14 ASP N . . . . . . . . . rr_2mix 1
. 10 . 2842 . 1 1 14 ASP O O 5.174 4.402 -1.422 . . . 1.0 . . . . . . . . . . . . A . 14 ASP O . . . . . . . . . rr_2mix 1
. 10 . 2843 . 1 1 14 ASP OD1 O 4.366 4.523 2.901 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD1 . . . . . . . . . rr_2mix 1
. 10 . 2844 . 1 1 14 ASP OD2 O 4.463 6.176 1.469 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD2 . . . . . . . . . rr_2mix 1
. 10 . 2845 . 1 1 15 VAL C C 1.596 3.107 -1.188 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . rr_2mix 1
. 10 . 2846 . 1 1 15 VAL CA C 2.974 2.740 -1.695 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . rr_2mix 1
. 10 . 2847 . 1 1 15 VAL CB C 2.912 1.361 -2.390 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . rr_2mix 1
. 10 . 2848 . 1 1 15 VAL CG1 C 1.910 1.377 -3.535 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . rr_2mix 1
. 10 . 2849 . 1 1 15 VAL CG2 C 4.288 0.947 -2.891 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . rr_2mix 1
. 10 . 2850 . 1 1 15 VAL H H 3.739 2.156 0.169 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . rr_2mix 1
. 10 . 2851 . 1 1 15 VAL HA H 3.298 3.475 -2.416 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . rr_2mix 1
. 10 . 2852 . 1 1 15 VAL HB H 2.584 0.631 -1.668 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . rr_2mix 1
. 10 . 2853 . 1 1 15 VAL HG11 H 0.931 1.626 -3.153 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . rr_2mix 1
. 10 . 2854 . 1 1 15 VAL HG12 H 1.878 0.402 -3.998 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . rr_2mix 1
. 10 . 2855 . 1 1 15 VAL HG13 H 2.209 2.113 -4.267 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . rr_2mix 1
. 10 . 2856 . 1 1 15 VAL HG21 H 4.655 1.684 -3.590 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . rr_2mix 1
. 10 . 2857 . 1 1 15 VAL HG22 H 4.217 -0.011 -3.384 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . rr_2mix 1
. 10 . 2858 . 1 1 15 VAL HG23 H 4.967 0.873 -2.056 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . rr_2mix 1
. 10 . 2859 . 1 1 15 VAL N N 3.916 2.736 -0.601 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . rr_2mix 1
. 10 . 2860 . 1 1 15 VAL O O 1.024 2.423 -0.342 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . rr_2mix 1
. 10 . 2861 . 1 1 16 CYS C C -1.242 4.113 -2.385 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_2mix 1
. 10 . 2862 . 1 1 16 CYS CA C -0.263 4.622 -1.338 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_2mix 1
. 10 . 2863 . 1 1 16 CYS CB C -0.373 6.139 -1.234 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_2mix 1
. 10 . 2864 . 1 1 16 CYS H H 1.648 4.776 -2.243 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_2mix 1
. 10 . 2865 . 1 1 16 CYS HA H -0.516 4.184 -0.387 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_2mix 1
. 10 . 2866 . 1 1 16 CYS HB2 H -0.427 6.550 -2.223 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_2mix 1
. 10 . 2867 . 1 1 16 CYS HB3 H -1.278 6.386 -0.699 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_2mix 1
. 10 . 2868 . 1 1 16 CYS N N 1.090 4.213 -1.670 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_2mix 1
. 10 . 2869 . 1 1 16 CYS O O -0.908 4.015 -3.566 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_2mix 1
. 10 . 2870 . 1 1 16 CYS SG S 1.017 6.933 -0.362 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_2mix 1
. 10 . 2871 . 1 1 17 SER C C -4.768 3.037 -1.979 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . rr_2mix 1
. 10 . 2872 . 1 1 17 SER CA C -3.506 3.292 -2.797 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . rr_2mix 1
. 10 . 2873 . 1 1 17 SER CB C -3.069 2.009 -3.511 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . rr_2mix 1
. 10 . 2874 . 1 1 17 SER H H -2.635 3.923 -0.978 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . rr_2mix 1
. 10 . 2875 . 1 1 17 SER HA H -3.719 4.051 -3.535 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . rr_2mix 1
. 10 . 2876 . 1 1 17 SER HB2 H -3.913 1.583 -4.032 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . rr_2mix 1
. 10 . 2877 . 1 1 17 SER HB3 H -2.289 2.243 -4.222 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . rr_2mix 1
. 10 . 2878 . 1 1 17 SER HG H -2.149 1.505 -1.856 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . rr_2mix 1
. 10 . 2879 . 1 1 17 SER N N -2.445 3.795 -1.933 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . rr_2mix 1
. 10 . 2880 . 1 1 17 SER O O -4.708 2.881 -0.756 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . rr_2mix 1
. 10 . 2881 . 1 1 17 SER OG O -2.574 1.051 -2.592 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . rr_2mix 1
. 10 . 2882 . 1 1 18 GLN C C -7.630 1.374 -2.000 . . . 1.0 . . . . . . . . . . . . A . 18 GLN C . . . . . . . . . rr_2mix 1
. 10 . 2883 . 1 1 18 GLN CA C -7.179 2.832 -1.973 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CA . . . . . . . . . rr_2mix 1
. 10 . 2884 . 1 1 18 GLN CB C -8.222 3.743 -2.608 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CB . . . . . . . . . rr_2mix 1
. 10 . 2885 . 1 1 18 GLN CD C -8.875 6.123 -3.128 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CD . . . . . . . . . rr_2mix 1
. 10 . 2886 . 1 1 18 GLN CG C -7.897 5.204 -2.427 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CG . . . . . . . . . rr_2mix 1
. 10 . 2887 . 1 1 18 GLN H H -5.892 3.100 -3.627 . . . 1.0 . . . . . . . . . . . . A . 18 GLN H . . . . . . . . . rr_2mix 1
. 10 . 2888 . 1 1 18 GLN HA H -7.041 3.134 -0.948 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HA . . . . . . . . . rr_2mix 1
. 10 . 2889 . 1 1 18 GLN HB2 H -8.263 3.541 -3.664 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB2 . . . . . . . . . rr_2mix 1
. 10 . 2890 . 1 1 18 GLN HB3 H -9.187 3.548 -2.166 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB3 . . . . . . . . . rr_2mix 1
. 10 . 2891 . 1 1 18 GLN HE21 H -7.783 6.066 -4.786 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE21 . . . . . . . . . rr_2mix 1
. 10 . 2892 . 1 1 18 GLN HE22 H -9.218 7.030 -4.860 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE22 . . . . . . . . . rr_2mix 1
. 10 . 2893 . 1 1 18 GLN HG2 H -7.901 5.434 -1.372 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG2 . . . . . . . . . rr_2mix 1
. 10 . 2894 . 1 1 18 GLN HG3 H -6.914 5.370 -2.826 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG3 . . . . . . . . . rr_2mix 1
. 10 . 2895 . 1 1 18 GLN N N -5.907 3.002 -2.648 . . . 1.0 . . . . . . . . . . . . A . 18 GLN N . . . . . . . . . rr_2mix 1
. 10 . 2896 . 1 1 18 GLN NE2 N -8.596 6.439 -4.382 . . . 1.0 . . . . . . . . . . . . A . 18 GLN NE2 . . . . . . . . . rr_2mix 1
. 10 . 2897 . 1 1 18 GLN O O -8.478 0.981 -2.797 . . . 1.0 . . . . . . . . . . . . A . 18 GLN O . . . . . . . . . rr_2mix 1
. 10 . 2898 . 1 1 18 GLN OE1 O -9.874 6.545 -2.546 . . . 1.0 . . . . . . . . . . . . A . 18 GLN OE1 . . . . . . . . . rr_2mix 1
. 10 . 2899 . 1 1 19 SER C C -8.739 -1.027 -0.301 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_2mix 1
. 10 . 2900 . 1 1 19 SER CA C -7.379 -0.834 -0.985 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_2mix 1
. 10 . 2901 . 1 1 19 SER CB C -6.296 -1.494 -0.167 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_2mix 1
. 10 . 2902 . 1 1 19 SER H H -6.348 0.954 -0.536 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_2mix 1
. 10 . 2903 . 1 1 19 SER HA H -7.396 -1.293 -1.966 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_2mix 1
. 10 . 2904 . 1 1 19 SER HB2 H -6.334 -1.110 0.837 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_2mix 1
. 10 . 2905 . 1 1 19 SER HB3 H -6.453 -2.557 -0.149 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_2mix 1
. 10 . 2906 . 1 1 19 SER HG H -4.463 -0.803 -0.035 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_2mix 1
. 10 . 2907 . 1 1 19 SER N N -7.048 0.580 -1.114 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_2mix 1
. 10 . 2908 . 1 1 19 SER O O -9.668 -1.569 -0.893 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_2mix 1
. 10 . 2909 . 1 1 19 SER OG O -5.014 -1.224 -0.710 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_2mix 1
. 10 . 2910 . 1 1 20 CYS C C -10.978 0.547 1.523 . . . 1.0 . . . . . . . . . . . . A . 20 CYS C . . . . . . . . . rr_2mix 1
. 10 . 2911 . 1 1 20 CYS CA C -10.096 -0.683 1.708 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CA . . . . . . . . . rr_2mix 1
. 10 . 2912 . 1 1 20 CYS CB C -9.809 -0.879 3.203 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CB . . . . . . . . . rr_2mix 1
. 10 . 2913 . 1 1 20 CYS H H -8.088 -0.105 1.352 . . . 1.0 . . . . . . . . . . . . A . 20 CYS H . . . . . . . . . rr_2mix 1
. 10 . 2914 . 1 1 20 CYS HA H -10.623 -1.547 1.334 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HA . . . . . . . . . rr_2mix 1
. 10 . 2915 . 1 1 20 CYS HB2 H -9.197 -0.061 3.550 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB2 . . . . . . . . . rr_2mix 1
. 10 . 2916 . 1 1 20 CYS HB3 H -10.746 -0.870 3.741 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB3 . . . . . . . . . rr_2mix 1
. 10 . 2917 . 1 1 20 CYS N N -8.853 -0.551 0.942 . . . 1.0 . . . . . . . . . . . . A . 20 CYS N . . . . . . . . . rr_2mix 1
. 10 . 2918 . 1 1 20 CYS O O -11.906 0.783 2.296 . . . 1.0 . . . . . . . . . . . . A . 20 CYS O . . . . . . . . . rr_2mix 1
. 10 . 2919 . 1 1 20 CYS SG S -8.943 -2.430 3.626 . . . 1.0 . . . . . . . . . . . . A . 20 CYS SG . . . . . . . . . rr_2mix 1
. 10 . 2920 . 1 1 21 CYS C C -11.918 2.521 -1.229 . . . 1.0 . . . . . . . . . . . . A . 21 CYS C . . . . . . . . . rr_2mix 1
. 10 . 2921 . 1 1 21 CYS CA C -11.434 2.536 0.217 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CA . . . . . . . . . rr_2mix 1
. 10 . 2922 . 1 1 21 CYS CB C -10.585 3.784 0.490 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CB . . . . . . . . . rr_2mix 1
. 10 . 2923 . 1 1 21 CYS H H -9.947 1.076 -0.096 . . . 1.0 . . . . . . . . . . . . A . 21 CYS H . . . . . . . . . rr_2mix 1
. 10 . 2924 . 1 1 21 CYS HA H -12.293 2.546 0.870 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HA . . . . . . . . . rr_2mix 1
. 10 . 2925 . 1 1 21 CYS HB2 H -9.590 3.623 0.104 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB2 . . . . . . . . . rr_2mix 1
. 10 . 2926 . 1 1 21 CYS HB3 H -11.027 4.626 -0.024 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB3 . . . . . . . . . rr_2mix 1
. 10 . 2927 . 1 1 21 CYS N N -10.680 1.329 0.500 . . . 1.0 . . . . . . . . . . . . A . 21 CYS N . . . . . . . . . rr_2mix 1
. 10 . 2928 . 1 1 21 CYS O O -11.252 3.125 -2.089 . . . 1.0 . . . . . . . . . . . . A . 21 CYS O . . . . . . . . . rr_2mix 1
. 10 . 2929 . 1 1 21 CYS OXT O -12.951 1.872 -1.503 . . . 1.0 . . . . . . . . . . . . A . 21 CYS OXT . . . . . . . . . rr_2mix 1
. 10 . 2930 . 1 1 21 CYS SG S -10.423 4.238 2.257 . . . 1.0 . . . . . . . . . . . . A . 21 CYS SG . . . . . . . . . rr_2mix 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_2mix
_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 2mix.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2mix 1
1 2mix.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 32 rr_2mix 1
1 2mix.mr . . XPLOR/CNS 3 distance NOE ambi 247 rr_2mix 1
1 2mix.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2mix 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_2mix
_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: '2mix'" . . . . distance "general distance" . 247 rr_2mix 1
2 "From CCPN project: '2mix'" . . . . "dihedral angle" "Not applicable" . 32 rr_2mix 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 2mix.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2mix 1
1 2mix.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 32 rr_2mix 1
1 2mix.mr . . XPLOR/CNS 3 distance NOE ambi 247 rr_2mix 1
1 2mix.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2mix 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_2mix
_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 3
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_2mix 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 7 7 CYS HA H . . . 1 1 16 16 CYS HA H . . . . . 2.093 1.545 2.641 . . . . . A . 7 CYS HA . . A . 16 CYS HA . A . 7 . HA . . . A . 16 . HA . . rr_2mix 1
2 1 . . 1 1 9 9 TRP HE3 H . . . 1 1 9 9 TRP HA H . . . . . 2.872 1.841 3.903 . . . . . A . 9 TRP HE3 . . A . 9 TRP HA . A . 9 . HE3 . . . A . 9 . HA . . rr_2mix 1
3 1 . . 1 1 9 9 TRP HE3 H . . . 1 1 13 13 LYS HA H . . . . . 3.278 1.935 4.621 . . . . . A . 9 TRP HE3 . . A . 13 LYS HA . A . 9 . HE3 . . . A . 13 . HA . . rr_2mix 1
4 1 . . 1 1 9 9 TRP HE3 H . . . 1 1 9 9 TRP HB3 H . . . . . 2.680 1.782 3.578 . . . . . A . 9 TRP HE3 . . A . 9 TRP HB3 . A . 9 . HE3 . . . A . 9 . HB2 . . rr_2mix 1
5 1 . . 1 1 9 9 TRP HE3 H . . . 1 1 9 9 TRP HB2 H . . . . . 3.129 1.905 4.353 . . . . . A . 9 TRP HE3 . . A . 9 TRP HB2 . A . 9 . HE3 . . . A . 9 . HB1 . . rr_2mix 1
6 1 . . 1 1 13 13 LYS HA H . . . 1 1 9 9 TRP HZ2 H . . . . . 2.943 1.861 4.025 . . . . . A . 13 LYS HA . . A . 9 TRP HZ2 . A . 13 . HA . . . A . 9 . HZ2 . . rr_2mix 1
7 1 . . 1 1 9 9 TRP HB2 H . . . 1 1 9 9 TRP HD1 H . . . . . 2.496 1.717 3.275 . . . . . A . 9 TRP HB2 . . A . 9 TRP HD1 . A . 9 . HB1 . . . A . 9 . HD1 . . rr_2mix 1
8 1 . . 1 1 9 9 TRP HD1 H . . . 1 1 11 11 GLY HA3 H . . . . . 3.963 2.000 5.926 . . . . . A . 9 TRP HD1 . . A . 11 GLY HA3 . A . 9 . HD1 . . . A . 11 . HA2 . . rr_2mix 1
9 1 OR . 1 1 8 8 TYR HD2 H . . . 1 1 15 15 VAL MG1 H . . . . . 3.331 1.944 4.718 . . . . . A . 8 TYR HD2 . . A . 15 VAL MG1 . A . 8 . HD2 . . . A . 15 . HG11 . . rr_2mix 1
9 2 OR . 1 1 15 15 VAL MG1 H . . . 1 1 8 8 TYR HD1 H . . . . . 3.331 1.944 4.718 . . . . . A . 15 VAL MG1 . . A . 8 TYR HD1 . A . 15 . HG11 . . . A . 8 . HD1 . . rr_2mix 1
10 1 . . 1 1 13 13 LYS HA H . . . 1 1 9 9 TRP HH2 H . . . . . 2.876 1.842 3.910 . . . . . A . 13 LYS HA . . A . 9 TRP HH2 . A . 13 . HA . . . A . 9 . HH2 . . rr_2mix 1
11 1 . . 1 1 13 13 LYS HA H . . . 1 1 9 9 TRP HZ3 H . . . . . 2.492 1.716 3.268 . . . . . A . 13 LYS HA . . A . 9 TRP HZ3 . A . 13 . HA . . . A . 9 . HZ3 . . rr_2mix 1
12 1 OR . 1 1 8 8 TYR HD1 H . . . 1 1 8 8 TYR HB2 H . . . . . 2.050 1.525 2.575 . . . . . A . 8 TYR HD1 . . A . 8 TYR HB2 . A . 8 . HD1 . . . A . 8 . HB1 . . rr_2mix 1
12 2 OR . 1 1 8 8 TYR HD2 H . . . 1 1 8 8 TYR HB2 H . . . . . 2.050 1.525 2.575 . . . . . A . 8 TYR HD2 . . A . 8 TYR HB2 . A . 8 . HD2 . . . A . 8 . HB1 . . rr_2mix 1
13 1 OR . 1 1 8 8 TYR HD1 H . . . 1 1 3 3 ILE HB H . . . . . 2.745 1.803 3.687 . . . . . A . 8 TYR HD1 . . A . 3 ILE HB . A . 8 . HD1 . . . A . 3 . HB . . rr_2mix 1
13 2 OR . 1 1 8 8 TYR HD2 H . . . 1 1 3 3 ILE HB H . . . . . 2.745 1.803 3.687 . . . . . A . 8 TYR HD2 . . A . 3 ILE HB . A . 8 . HD2 . . . A . 3 . HB . . rr_2mix 1
14 1 OR . 1 1 8 8 TYR HD1 H . . . 1 1 15 15 VAL HB H . . . . . 3.141 1.908 4.374 . . . . . A . 8 TYR HD1 . . A . 15 VAL HB . A . 8 . HD1 . . . A . 15 . HB . . rr_2mix 1
14 2 OR . 1 1 8 8 TYR HD2 H . . . 1 1 15 15 VAL HB H . . . . . 3.141 1.908 4.374 . . . . . A . 8 TYR HD2 . . A . 15 VAL HB . A . 8 . HD2 . . . A . 15 . HB . . rr_2mix 1
15 1 OR . 1 1 8 8 TYR HD2 H . . . 1 1 3 3 ILE MD H . . . . . 2.680 1.782 3.578 . . . . . A . 8 TYR HD2 . . A . 3 ILE MD . A . 8 . HD2 . . . A . 3 . HD11 . . rr_2mix 1
15 2 OR . 1 1 8 8 TYR HD1 H . . . 1 1 3 3 ILE MD H . . . . . 2.680 1.782 3.578 . . . . . A . 8 TYR HD1 . . A . 3 ILE MD . A . 8 . HD1 . . . A . 3 . HD11 . . rr_2mix 1
16 1 OR . 1 1 8 8 TYR HD1 H . . . 1 1 3 3 ILE HG13 H . . . . . 3.677 1.987 5.367 . . . . . A . 8 TYR HD1 . . A . 3 ILE HG13 . A . 8 . HD1 . . . A . 3 . HG12 . . rr_2mix 1
16 2 OR . 1 1 8 8 TYR HD2 H . . . 1 1 3 3 ILE HG13 H . . . . . 3.677 1.987 5.367 . . . . . A . 8 TYR HD2 . . A . 3 ILE HG13 . A . 8 . HD2 . . . A . 3 . HG12 . . rr_2mix 1
17 1 OR . 1 1 8 8 TYR HD1 H . . . 1 1 10 10 ASN HB3 H . . . . . 3.380 1.952 4.808 . . . . . A . 8 TYR HD1 . . A . 10 ASN HB3 . A . 8 . HD1 . . . A . 10 . HB2 . . rr_2mix 1
17 2 OR . 1 1 8 8 TYR HD2 H . . . 1 1 10 10 ASN HB3 H . . . . . 3.380 1.952 4.808 . . . . . A . 8 TYR HD2 . . A . 10 ASN HB3 . A . 8 . HD2 . . . A . 10 . HB2 . . rr_2mix 1
18 1 OR . 1 1 3 3 ILE HA H . . . 1 1 8 8 TYR HE1 H . . . . . 3.135 1.906 4.364 . . . . . A . 3 ILE HA . . A . 8 TYR HE1 . A . 3 . HA . . . A . 8 . HE1 . . rr_2mix 1
18 2 OR . 1 1 8 8 TYR HE2 H . . . 1 1 3 3 ILE HA H . . . . . 3.135 1.906 4.364 . . . . . A . 8 TYR HE2 . . A . 3 ILE HA . A . 8 . HE2 . . . A . 3 . HA . . rr_2mix 1
19 1 OR . 1 1 8 8 TYR HB2 H . . . 1 1 8 8 TYR HE1 H . . . . . 3.226 1.925 4.527 . . . . . A . 8 TYR HB2 . . A . 8 TYR HE1 . A . 8 . HB1 . . . A . 8 . HE1 . . rr_2mix 1
19 2 OR . 1 1 8 8 TYR HB2 H . . . 1 1 8 8 TYR HE2 H . . . . . 3.226 1.925 4.527 . . . . . A . 8 TYR HB2 . . A . 8 TYR HE2 . A . 8 . HB1 . . . A . 8 . HE2 . . rr_2mix 1
20 1 OR . 1 1 10 10 ASN HB3 H . . . 1 1 8 8 TYR HE1 H . . . . . 2.672 1.780 3.564 . . . . . A . 10 ASN HB3 . . A . 8 TYR HE1 . A . 10 . HB2 . . . A . 8 . HE1 . . rr_2mix 1
20 2 OR . 1 1 10 10 ASN HB3 H . . . 1 1 8 8 TYR HE2 H . . . . . 2.672 1.780 3.564 . . . . . A . 10 ASN HB3 . . A . 8 TYR HE2 . A . 10 . HB2 . . . A . 8 . HE2 . . rr_2mix 1
21 1 OR . 1 1 15 15 VAL HB H . . . 1 1 8 8 TYR HE1 H . . . . . 2.847 1.834 3.860 . . . . . A . 15 VAL HB . . A . 8 TYR HE1 . A . 15 . HB . . . A . 8 . HE1 . . rr_2mix 1
21 2 OR . 1 1 15 15 VAL HB H . . . 1 1 8 8 TYR HE2 H . . . . . 2.847 1.834 3.860 . . . . . A . 15 VAL HB . . A . 8 TYR HE2 . A . 15 . HB . . . A . 8 . HE2 . . rr_2mix 1
22 1 OR . 1 1 15 15 VAL MG1 H . . . 1 1 8 8 TYR HE2 H . . . . . 2.621 1.762 3.480 . . . . . A . 15 VAL MG1 . . A . 8 TYR HE2 . A . 15 . HG11 . . . A . 8 . HE2 . . rr_2mix 1
22 2 OR . 1 1 15 15 VAL MG1 H . . . 1 1 8 8 TYR HE1 H . . . . . 2.621 1.762 3.480 . . . . . A . 15 VAL MG1 . . A . 8 TYR HE1 . A . 15 . HG11 . . . A . 8 . HE1 . . rr_2mix 1
23 1 OR . 1 1 3 3 ILE MD H . . . 1 1 8 8 TYR HE2 H . . . . . 3.185 1.917 4.453 . . . . . A . 3 ILE MD . . A . 8 TYR HE2 . A . 3 . HD11 . . . A . 8 . HE2 . . rr_2mix 1
23 2 OR . 1 1 3 3 ILE MD H . . . 1 1 8 8 TYR HE1 H . . . . . 3.185 1.917 4.453 . . . . . A . 3 ILE MD . . A . 8 TYR HE1 . A . 3 . HD11 . . . A . 8 . HE1 . . rr_2mix 1
24 1 . . 1 1 7 7 CYS HA H . . . 1 1 16 16 CYS HB3 H . . . . . 3.042 1.885 4.199 . . . . . A . 7 CYS HA . . A . 16 CYS HB3 . A . 7 . HA . . . A . 16 . HB2 . . rr_2mix 1
25 1 . . 1 1 16 16 CYS HA H . . . 1 1 7 7 CYS HB2 H . . . . . 3.140 1.908 4.372 . . . . . A . 16 CYS HA . . A . 7 CYS HB2 . A . 16 . HA . . . A . 7 . HB1 . . rr_2mix 1
26 1 . . 1 1 16 16 CYS HA H . . . 1 1 7 7 CYS HB3 H . . . . . 3.390 1.954 4.826 . . . . . A . 16 CYS HA . . A . 7 CYS HB3 . A . 16 . HA . . . A . 7 . HB2 . . rr_2mix 1
27 1 . . 1 1 18 18 GLN HA H . . . 1 1 18 18 GLN HG3 H . . . . . 2.203 1.596 2.810 . . . . . A . 18 GLN HA . . A . 18 GLN HG3 . A . 18 . HA . . . A . 18 . HG2 . . rr_2mix 1
28 1 . . 1 1 18 18 GLN HA H . . . 1 1 18 18 GLN HG2 H . . . . . 2.769 1.811 3.727 . . . . . A . 18 GLN HA . . A . 18 GLN HG2 . A . 18 . HA . . . A . 18 . HG1 . . rr_2mix 1
29 1 . . 1 1 18 18 GLN HG3 H . . . 1 1 18 18 GLN HB2 H . . . . . 1.839 1.416 2.262 . . . . . A . 18 GLN HG3 . . A . 18 GLN HB2 . A . 18 . HG2 . . . A . 18 . HB1 . . rr_2mix 1
30 1 . . 1 1 18 18 GLN HG2 H . . . 1 1 18 18 GLN HB2 H . . . . . 2.541 1.734 3.348 . . . . . A . 18 GLN HG2 . . A . 18 GLN HB2 . A . 18 . HG1 . . . A . 18 . HB1 . . rr_2mix 1
31 1 . . 1 1 9 9 TRP HA H . . . 1 1 9 9 TRP HB2 H . . . . . 3.153 1.910 4.396 . . . . . A . 9 TRP HA . . A . 9 TRP HB2 . A . 9 . HA . . . A . 9 . HB1 . . rr_2mix 1
32 1 . . 1 1 10 10 ASN HB3 H . . . 1 1 10 10 ASN HA H . . . . . 2.675 1.780 3.570 . . . . . A . 10 ASN HB3 . . A . 10 ASN HA . A . 10 . HB2 . . . A . 10 . HA . . rr_2mix 1
33 1 . . 1 1 14 14 ASP HA H . . . 1 1 14 14 ASP HB3 H . . . . . 2.749 1.805 3.693 . . . . . A . 14 ASP HA . . A . 14 ASP HB3 . A . 14 . HA . . . A . 14 . HB2 . . rr_2mix 1
34 1 . . 1 1 10 10 ASN HA H . . . 1 1 10 10 ASN HB2 H . . . . . 2.912 1.852 3.972 . . . . . A . 10 ASN HA . . A . 10 ASN HB2 . A . 10 . HA . . . A . 10 . HB1 . . rr_2mix 1
35 1 . . 1 1 14 14 ASP HA H . . . 1 1 14 14 ASP HB2 H . . . . . 3.024 1.881 4.167 . . . . . A . 14 ASP HA . . A . 14 ASP HB2 . A . 14 . HA . . . A . 14 . HB1 . . rr_2mix 1
36 1 . . 1 1 9 9 TRP HA H . . . 1 1 9 9 TRP HB3 H . . . . . 2.828 1.828 3.828 . . . . . A . 9 TRP HA . . A . 9 TRP HB3 . A . 9 . HA . . . A . 9 . HB2 . . rr_2mix 1
37 1 . . 1 1 14 14 ASP HB3 H . . . 1 1 14 14 ASP HB2 H . . . . . 1.877 1.437 2.317 . . . . . A . 14 ASP HB3 . . A . 14 ASP HB2 . A . 14 . HB2 . . . A . 14 . HB1 . . rr_2mix 1
38 1 . . 1 1 4 4 CYS HA H . . . 1 1 4 4 CYS HB2 H . . . . . 2.986 1.872 4.100 . . . . . A . 4 CYS HA . . A . 4 CYS HB2 . A . 4 . HA . . . A . 4 . HB1 . . rr_2mix 1
39 1 . . 1 1 4 4 CYS HA H . . . 1 1 4 4 CYS HB3 H . . . . . 2.822 1.827 3.817 . . . . . A . 4 CYS HA . . A . 4 CYS HB3 . A . 4 . HA . . . A . 4 . HB2 . . rr_2mix 1
40 1 . . 1 1 4 4 CYS HB3 H . . . 1 1 5 5 CYS HB2 H . . . . . 2.931 1.857 4.005 . . . . . A . 4 CYS HB3 . . A . 5 CYS HB2 . A . 4 . HB2 . . . A . 5 . HB1 . . rr_2mix 1
41 1 . . 1 1 17 17 SER HB2 H . . . 1 1 17 17 SER HA H . . . . . 2.575 1.746 3.404 . . . . . A . 17 SER HB2 . . A . 17 SER HA . A . 17 . HB1 . . . A . 17 . HA . . rr_2mix 1
42 1 . . 1 1 17 17 SER HA H . . . 1 1 17 17 SER HB3 H . . . . . 2.597 1.754 3.440 . . . . . A . 17 SER HA . . A . 17 SER HB3 . A . 17 . HA . . . A . 17 . HB2 . . rr_2mix 1
43 1 . . 1 1 17 17 SER HB2 H . . . 1 1 17 17 SER HB3 H . . . . . 1.882 1.439 2.325 . . . . . A . 17 SER HB2 . . A . 17 SER HB3 . A . 17 . HB1 . . . A . 17 . HB2 . . rr_2mix 1
44 1 . . 1 1 6 6 GLY HA2 H . . . 1 1 6 6 GLY HA3 H . . . . . 1.960 1.480 2.440 . . . . . A . 6 GLY HA2 . . A . 6 GLY HA3 . A . 6 . HA1 . . . A . 6 . HA2 . . rr_2mix 1
45 1 . . 1 1 20 20 CYS HA H . . . 1 1 20 20 CYS HB2 H . . . . . 2.486 1.714 3.258 . . . . . A . 20 CYS HA . . A . 20 CYS HB2 . A . 20 . HA . . . A . 20 . HB1 . . rr_2mix 1
46 1 . . 1 1 19 19 SER HA H . . . 1 1 19 19 SER HB2 H . . . . . 2.255 1.620 2.890 . . . . . A . 19 SER HA . . A . 19 SER HB2 . A . 19 . HA . . . A . 19 . HB1 . . rr_2mix 1
47 1 . . 1 1 19 19 SER HA H . . . 1 1 19 19 SER HB3 H . . . . . 2.231 1.609 2.853 . . . . . A . 19 SER HA . . A . 19 SER HB3 . A . 19 . HA . . . A . 19 . HB2 . . rr_2mix 1
48 1 . . 1 1 19 19 SER HB2 H . . . 1 1 19 19 SER HB3 H . . . . . 1.869 1.433 2.305 . . . . . A . 19 SER HB2 . . A . 19 SER HB3 . A . 19 . HB1 . . . A . 19 . HB2 . . rr_2mix 1
49 1 . . 1 1 12 12 SER HA H . . . 1 1 12 12 SER HB3 H . . . . . 2.138 1.566 2.710 . . . . . A . 12 SER HA . . A . 12 SER HB3 . A . 12 . HA . . . A . 12 . HB2 . . rr_2mix 1
50 1 . . 1 1 19 19 SER HA H . . . 1 1 2 2 ARG HG2 H . . . . . 2.352 1.661 3.043 . . . . . A . 19 SER HA . . A . 2 ARG HG2 . A . 19 . HA . . . A . 2 . HG1 . . rr_2mix 1
51 1 . . 1 1 19 19 SER HA H . . . 1 1 2 2 ARG HG3 H . . . . . 2.410 1.684 3.136 . . . . . A . 19 SER HA . . A . 2 ARG HG3 . A . 19 . HA . . . A . 2 . HG2 . . rr_2mix 1
52 1 . . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS HB2 H . . . . . 2.303 1.640 2.966 . . . . . A . 13 LYS HA . . A . 13 LYS HB2 . A . 13 . HA . . . A . 13 . HB1 . . rr_2mix 1
53 1 . . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS HB3 H . . . . . 2.259 1.621 2.897 . . . . . A . 13 LYS HA . . A . 13 LYS HB3 . A . 13 . HA . . . A . 13 . HB2 . . rr_2mix 1
54 1 . . 1 1 19 19 SER HA H . . . 1 1 2 2 ARG HD2 H . . . . . 2.994 1.874 4.114 . . . . . A . 19 SER HA . . A . 2 ARG HD2 . A . 19 . HA . . . A . 2 . HD1 . . rr_2mix 1
55 1 . . 1 1 2 2 ARG HD2 H . . . 1 1 2 2 ARG HB3 H . . . . . 2.515 1.724 3.306 . . . . . A . 2 ARG HD2 . . A . 2 ARG HB3 . A . 2 . HD1 . . . A . 2 . HB2 . . rr_2mix 1
56 1 . . 1 1 2 2 ARG HG2 H . . . 1 1 2 2 ARG HD2 H . . . . . 2.194 1.592 2.796 . . . . . A . 2 ARG HG2 . . A . 2 ARG HD2 . A . 2 . HG1 . . . A . 2 . HD1 . . rr_2mix 1
57 1 . . 1 1 2 2 ARG HG3 H . . . 1 1 2 2 ARG HD2 H . . . . . 2.369 1.667 3.071 . . . . . A . 2 ARG HG3 . . A . 2 ARG HD2 . A . 2 . HG2 . . . A . 2 . HD1 . . rr_2mix 1
58 1 . . 1 1 2 2 ARG HG3 H . . . 1 1 2 2 ARG HB3 H . . . . . 2.187 1.589 2.785 . . . . . A . 2 ARG HG3 . . A . 2 ARG HB3 . A . 2 . HG2 . . . A . 2 . HB2 . . rr_2mix 1
59 1 . . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS HD2 H . . . . . 3.125 1.904 4.346 . . . . . A . 13 LYS HA . . A . 13 LYS HD2 . A . 13 . HA . . . A . 13 . HD1 . . rr_2mix 1
60 1 . . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS HG3 H . . . . . 3.176 1.916 4.436 . . . . . A . 13 LYS HA . . A . 13 LYS HG3 . A . 13 . HA . . . A . 13 . HG2 . . rr_2mix 1
61 1 . . 1 1 13 13 LYS HB2 H . . . 1 1 13 13 LYS HD2 H . . . . . 2.638 1.768 3.508 . . . . . A . 13 LYS HB2 . . A . 13 LYS HD2 . A . 13 . HB1 . . . A . 13 . HD1 . . rr_2mix 1
62 1 . . 1 1 13 13 LYS HB2 H . . . 1 1 13 13 LYS HG3 H . . . . . 2.561 1.741 3.381 . . . . . A . 13 LYS HB2 . . A . 13 LYS HG3 . A . 13 . HB1 . . . A . 13 . HG2 . . rr_2mix 1
63 1 . . 1 1 13 13 LYS HB3 H . . . 1 1 13 13 LYS HD2 H . . . . . 2.510 1.722 3.298 . . . . . A . 13 LYS HB3 . . A . 13 LYS HD2 . A . 13 . HB2 . . . A . 13 . HD1 . . rr_2mix 1
64 1 . . 1 1 13 13 LYS HB3 H . . . 1 1 13 13 LYS HG3 H . . . . . 2.386 1.674 3.098 . . . . . A . 13 LYS HB3 . . A . 13 LYS HG3 . A . 13 . HB2 . . . A . 13 . HG2 . . rr_2mix 1
65 1 . . 1 1 13 13 LYS HD2 H . . . 1 1 13 13 LYS HG3 H . . . . . 1.876 1.436 2.316 . . . . . A . 13 LYS HD2 . . A . 13 LYS HG3 . A . 13 . HD1 . . . A . 13 . HG2 . . rr_2mix 1
66 1 . . 1 1 1 1 THR HA H . . . 1 1 1 1 THR HG1 H . . . . . 2.568 1.743 3.393 . . . . . A . 1 THR HA . . A . 1 THR HG1 . A . 1 . HA . . . A . 1 . HG1 . . rr_2mix 1
67 1 . . 1 1 1 1 THR HA H . . . 1 1 1 1 THR HB H . . . . . 2.636 1.767 3.505 . . . . . A . 1 THR HA . . A . 1 THR HB . A . 1 . HA . . . A . 1 . HB . . rr_2mix 1
68 1 . . 1 1 1 1 THR HG1 H . . . 1 1 1 1 THR HB H . . . . . 2.859 1.837 3.881 . . . . . A . 1 THR HG1 . . A . 1 THR HB . A . 1 . HG1 . . . A . 1 . HB . . rr_2mix 1
69 1 . . 1 1 15 15 VAL MG1 H . . . 1 1 15 15 VAL HA H . . . . . 2.332 1.652 3.012 . . . . . A . 15 VAL MG1 . . A . 15 VAL HA . A . 15 . HG11 . . . A . 15 . HA . . rr_2mix 1
70 1 . . 1 1 15 15 VAL HA H . . . 1 1 15 15 VAL MG2 H . . . . . 2.348 1.659 3.037 . . . . . A . 15 VAL HA . . A . 15 VAL MG2 . A . 15 . HA . . . A . 15 . HG21 . . rr_2mix 1
71 1 . . 1 1 15 15 VAL HB H . . . 1 1 15 15 VAL HA H . . . . . 2.679 1.782 3.576 . . . . . A . 15 VAL HB . . A . 15 VAL HA . A . 15 . HB . . . A . 15 . HA . . rr_2mix 1
72 1 . . 1 1 15 15 VAL MG1 H . . . 1 1 15 15 VAL HB H . . . . . 2.166 1.580 2.752 . . . . . A . 15 VAL MG1 . . A . 15 VAL HB . A . 15 . HG11 . . . A . 15 . HB . . rr_2mix 1
73 1 . . 1 1 15 15 VAL HB H . . . 1 1 15 15 VAL MG2 H . . . . . 2.156 1.575 2.737 . . . . . A . 15 VAL HB . . A . 15 VAL MG2 . A . 15 . HB . . . A . 15 . HG21 . . rr_2mix 1
74 1 . . 1 1 15 15 VAL MG1 H . . . 1 1 15 15 VAL MG2 H . . . . . 2.036 1.518 2.554 . . . . . A . 15 VAL MG1 . . A . 15 VAL MG2 . A . 15 . HG11 . . . A . 15 . HG21 . . rr_2mix 1
75 1 . . 1 1 3 3 ILE HA H . . . 1 1 3 3 ILE MG H . . . . . 2.658 1.775 3.541 . . . . . A . 3 ILE HA . . A . 3 ILE MG . A . 3 . HA . . . A . 3 . HG21 . . rr_2mix 1
76 1 . . 1 1 3 3 ILE HG13 H . . . 1 1 3 3 ILE HA H . . . . . 2.845 1.833 3.857 . . . . . A . 3 ILE HG13 . . A . 3 ILE HA . A . 3 . HG12 . . . A . 3 . HA . . rr_2mix 1
77 1 . . 1 1 3 3 ILE HB H . . . 1 1 3 3 ILE HA H . . . . . 2.319 1.646 2.992 . . . . . A . 3 ILE HB . . A . 3 ILE HA . A . 3 . HB . . . A . 3 . HA . . rr_2mix 1
78 1 . . 1 1 3 3 ILE HB H . . . 1 1 3 3 ILE HG12 H . . . . . 2.384 1.674 3.094 . . . . . A . 3 ILE HB . . A . 3 ILE HG12 . A . 3 . HB . . . A . 3 . HG11 . . rr_2mix 1
79 1 . . 1 1 3 3 ILE HB H . . . 1 1 3 3 ILE MD H . . . . . 2.218 1.603 2.833 . . . . . A . 3 ILE HB . . A . 3 ILE MD . A . 3 . HB . . . A . 3 . HD11 . . rr_2mix 1
80 1 . . 1 1 3 3 ILE HB H . . . 1 1 3 3 ILE MG H . . . . . 2.435 1.694 3.176 . . . . . A . 3 ILE HB . . A . 3 ILE MG . A . 3 . HB . . . A . 3 . HG21 . . rr_2mix 1
81 1 . . 1 1 3 3 ILE HG13 H . . . 1 1 3 3 ILE HG12 H . . . . . 1.982 1.491 2.473 . . . . . A . 3 ILE HG13 . . A . 3 ILE HG12 . A . 3 . HG12 . . . A . 3 . HG11 . . rr_2mix 1
82 1 . . 1 1 3 3 ILE MD H . . . 1 1 3 3 ILE HG12 H . . . . . 2.538 1.733 3.343 . . . . . A . 3 ILE MD . . A . 3 ILE HG12 . A . 3 . HD11 . . . A . 3 . HG11 . . rr_2mix 1
83 1 . . 1 1 3 3 ILE MG H . . . 1 1 3 3 ILE HG12 H . . . . . 2.313 1.645 2.981 . . . . . A . 3 ILE MG . . A . 3 ILE HG12 . A . 3 . HG21 . . . A . 3 . HG11 . . rr_2mix 1
84 1 . . 1 1 3 3 ILE MD H . . . 1 1 3 3 ILE HG13 H . . . . . 2.303 1.640 2.966 . . . . . A . 3 ILE MD . . A . 3 ILE HG13 . A . 3 . HD11 . . . A . 3 . HG12 . . rr_2mix 1
85 1 . . 1 1 3 3 ILE HG13 H . . . 1 1 3 3 ILE MG H . . . . . 2.211 1.600 2.822 . . . . . A . 3 ILE HG13 . . A . 3 ILE MG . A . 3 . HG12 . . . A . 3 . HG21 . . rr_2mix 1
86 1 . . 1 1 13 13 LYS HB2 H . . . 1 1 13 13 LYS HB3 H . . . . . 1.733 1.358 2.108 . . . . . A . 13 LYS HB2 . . A . 13 LYS HB3 . A . 13 . HB1 . . . A . 13 . HB2 . . rr_2mix 1
87 1 . . 1 1 13 13 LYS HG3 H . . . 1 1 13 13 LYS HE2 H . . . . . 2.902 1.849 3.955 . . . . . A . 13 LYS HG3 . . A . 13 LYS HE2 . A . 13 . HG2 . . . A . 13 . HE1 . . rr_2mix 1
88 1 . . 1 1 13 13 LYS HD2 H . . . 1 1 13 13 LYS HE2 H . . . . . 3.172 1.914 4.430 . . . . . A . 13 LYS HD2 . . A . 13 LYS HE2 . A . 13 . HD1 . . . A . 13 . HE1 . . rr_2mix 1
89 1 . . 1 1 13 13 LYS HB3 H . . . 1 1 13 13 LYS HE2 H . . . . . 2.658 1.775 3.541 . . . . . A . 13 LYS HB3 . . A . 13 LYS HE2 . A . 13 . HB2 . . . A . 13 . HE1 . . rr_2mix 1
90 1 . . 1 1 15 15 VAL MG2 H . . . 1 1 13 13 LYS HE2 H . . . . . 2.980 1.870 4.090 . . . . . A . 15 VAL MG2 . . A . 13 LYS HE2 . A . 15 . HG21 . . . A . 13 . HE1 . . rr_2mix 1
91 1 . . 1 1 10 10 ASN HB3 H . . . 1 1 15 15 VAL MG2 H . . . . . 2.535 1.732 3.338 . . . . . A . 10 ASN HB3 . . A . 15 VAL MG2 . A . 10 . HB2 . . . A . 15 . HG21 . . rr_2mix 1
92 1 . . 1 1 15 15 VAL MG1 H . . . 1 1 10 10 ASN HB3 H . . . . . 3.127 1.905 4.349 . . . . . A . 15 VAL MG1 . . A . 10 ASN HB3 . A . 15 . HG11 . . . A . 10 . HB2 . . rr_2mix 1
93 1 . . 1 1 15 15 VAL HB H . . . 1 1 15 15 VAL H H . . . . . 2.513 1.724 3.302 . . . . . A . 15 VAL HB . . A . 15 VAL H . A . 15 . HB . . . A . 15 . HN . . rr_2mix 1
94 1 . . 1 1 15 15 VAL MG1 H . . . 1 1 15 15 VAL H H . . . . . 3.354 1.948 4.760 . . . . . A . 15 VAL MG1 . . A . 15 VAL H . A . 15 . HG11 . . . A . 15 . HN . . rr_2mix 1
95 1 . . 1 1 15 15 VAL MG2 H . . . 1 1 15 15 VAL H H . . . . . 2.749 1.804 3.694 . . . . . A . 15 VAL MG2 . . A . 15 VAL H . A . 15 . HG21 . . . A . 15 . HN . . rr_2mix 1
96 1 . . 1 1 14 14 ASP HB3 H . . . 1 1 15 15 VAL H H . . . . . 3.139 1.907 4.371 . . . . . A . 14 ASP HB3 . . A . 15 VAL H . A . 14 . HB2 . . . A . 15 . HN . . rr_2mix 1
97 1 . . 1 1 14 14 ASP HA H . . . 1 1 15 15 VAL H H . . . . . 2.690 1.786 3.594 . . . . . A . 14 ASP HA . . A . 15 VAL H . A . 14 . HA . . . A . 15 . HN . . rr_2mix 1
98 1 . . 1 1 9 9 TRP HD1 H . . . 1 1 9 9 TRP HE1 H . . . . . 2.307 1.642 2.972 . . . . . A . 9 TRP HD1 . . A . 9 TRP HE1 . A . 9 . HD1 . . . A . 9 . HE1 . . rr_2mix 1
99 1 . . 1 1 9 9 TRP HZ2 H . . . 1 1 9 9 TRP HE1 H . . . . . 2.664 1.777 3.551 . . . . . A . 9 TRP HZ2 . . A . 9 TRP HE1 . A . 9 . HZ2 . . . A . 9 . HE1 . . rr_2mix 1
100 1 . . 1 1 9 9 TRP HE1 H . . . 1 1 11 11 GLY HA2 H . . . . . 2.631 1.765 3.497 . . . . . A . 9 TRP HE1 . . A . 11 GLY HA2 . A . 9 . HE1 . . . A . 11 . HA1 . . rr_2mix 1
101 1 . . 1 1 11 11 GLY HA3 H . . . 1 1 9 9 TRP HE1 H . . . . . 3.200 1.920 4.480 . . . . . A . 11 GLY HA3 . . A . 9 TRP HE1 . A . 11 . HA2 . . . A . 9 . HE1 . . rr_2mix 1
102 1 . . 1 1 9 9 TRP HE1 H . . . 1 1 11 11 GLY H H . . . . . 3.220 1.924 4.516 . . . . . A . 9 TRP HE1 . . A . 11 GLY H . A . 9 . HE1 . . . A . 11 . HN . . rr_2mix 1
103 1 . . 1 1 5 5 CYS H H . . . 1 1 19 19 SER H H . . . . . 2.940 1.860 4.020 . . . . . A . 5 CYS H . . A . 19 SER H . A . 5 . HN . . . A . 19 . HN . . rr_2mix 1
104 1 . . 1 1 15 15 VAL H H . . . 1 1 8 8 TYR H H . . . . . 2.609 1.758 3.460 . . . . . A . 15 VAL H . . A . 8 TYR H . A . 15 . HN . . . A . 8 . HN . . rr_2mix 1
105 1 . . 1 1 15 15 VAL H H . . . 1 1 16 16 CYS H H . . . . . 2.892 1.847 3.937 . . . . . A . 15 VAL H . . A . 16 CYS H . A . 15 . HN . . . A . 16 . HN . . rr_2mix 1
106 1 . . 1 1 6 6 GLY H H . . . 1 1 17 17 SER H H . . . . . 2.501 1.719 3.283 . . . . . A . 6 GLY H . . A . 17 SER H . A . 6 . HN . . . A . 17 . HN . . rr_2mix 1
107 1 . . 1 1 5 5 CYS H H . . . 1 1 20 20 CYS H H . . . . . 2.504 1.720 3.288 . . . . . A . 5 CYS H . . A . 20 CYS H . A . 5 . HN . . . A . 20 . HN . . rr_2mix 1
108 1 . . 1 1 3 3 ILE H H . . . 1 1 4 4 CYS H H . . . . . 2.948 1.862 4.034 . . . . . A . 3 ILE H . . A . 4 CYS H . A . 3 . HN . . . A . 4 . HN . . rr_2mix 1
109 1 OR . 1 1 8 8 TYR HD1 H . . . 1 1 8 8 TYR H H . . . . . 2.742 1.802 3.682 . . . . . A . 8 TYR HD1 . . A . 8 TYR H . A . 8 . HD1 . . . A . 8 . HN . . rr_2mix 1
109 2 OR . 1 1 8 8 TYR HD2 H . . . 1 1 8 8 TYR H H . . . . . 2.742 1.802 3.682 . . . . . A . 8 TYR HD2 . . A . 8 TYR H . A . 8 . HD2 . . . A . 8 . HN . . rr_2mix 1
110 1 OR . 1 1 8 8 TYR HD1 H . . . 1 1 9 9 TRP H H . . . . . 3.131 1.905 4.357 . . . . . A . 8 TYR HD1 . . A . 9 TRP H . A . 8 . HD1 . . . A . 9 . HN . . rr_2mix 1
110 2 OR . 1 1 8 8 TYR HD2 H . . . 1 1 9 9 TRP H H . . . . . 3.131 1.905 4.357 . . . . . A . 8 TYR HD2 . . A . 9 TRP H . A . 8 . HD2 . . . A . 9 . HN . . rr_2mix 1
111 1 . . 1 1 13 13 LYS H H . . . 1 1 12 12 SER H H . . . . . 2.041 1.520 2.562 . . . . . A . 13 LYS H . . A . 12 SER H . A . 13 . HN . . . A . 12 . HN . . rr_2mix 1
112 1 . . 1 1 7 7 CYS HA H . . . 1 1 17 17 SER H H . . . . . 2.854 1.836 3.872 . . . . . A . 7 CYS HA . . A . 17 SER H . A . 7 . HA . . . A . 17 . HN . . rr_2mix 1
113 1 . . 1 1 7 7 CYS HA H . . . 1 1 8 8 TYR H H . . . . . 2.244 1.615 2.873 . . . . . A . 7 CYS HA . . A . 8 TYR H . A . 7 . HA . . . A . 8 . HN . . rr_2mix 1
114 1 . . 1 1 16 16 CYS HA H . . . 1 1 17 17 SER H H . . . . . 2.178 1.585 2.771 . . . . . A . 16 CYS HA . . A . 17 SER H . A . 16 . HA . . . A . 17 . HN . . rr_2mix 1
115 1 . . 1 1 16 16 CYS HA H . . . 1 1 8 8 TYR H H . . . . . 2.937 1.859 4.015 . . . . . A . 16 CYS HA . . A . 8 TYR H . A . 16 . HA . . . A . 8 . HN . . rr_2mix 1
116 1 . . 1 1 6 6 GLY HA2 H . . . 1 1 7 7 CYS H H . . . . . 2.239 1.613 2.865 . . . . . A . 6 GLY HA2 . . A . 7 CYS H . A . 6 . HA1 . . . A . 7 . HN . . rr_2mix 1
117 1 . . 1 1 6 6 GLY HA3 H . . . 1 1 7 7 CYS H H . . . . . 2.372 1.668 3.076 . . . . . A . 6 GLY HA3 . . A . 7 CYS H . A . 6 . HA2 . . . A . 7 . HN . . rr_2mix 1
118 1 . . 1 1 3 3 ILE HA H . . . 1 1 4 4 CYS H H . . . . . 2.479 1.711 3.247 . . . . . A . 3 ILE HA . . A . 4 CYS H . A . 3 . HA . . . A . 4 . HN . . rr_2mix 1
119 1 . . 1 1 9 9 TRP HA H . . . 1 1 10 10 ASN H H . . . . . 5.529 1.708 9.350 . . . . . A . 9 TRP HA . . A . 10 ASN H . A . 9 . HA . . . A . 10 . HN . . rr_2mix 1
120 1 . . 1 1 11 11 GLY HA2 H . . . 1 1 12 12 SER H H . . . . . 3.204 1.921 4.487 . . . . . A . 11 GLY HA2 . . A . 12 SER H . A . 11 . HA1 . . . A . 12 . HN . . rr_2mix 1
121 1 . . 1 1 15 15 VAL HA H . . . 1 1 16 16 CYS H H . . . . . 2.057 1.528 2.586 . . . . . A . 15 VAL HA . . A . 16 CYS H . A . 15 . HA . . . A . 16 . HN . . rr_2mix 1
122 1 . . 1 1 17 17 SER HA H . . . 1 1 18 18 GLN H H . . . . . 2.162 1.578 2.746 . . . . . A . 17 SER HA . . A . 18 GLN H . A . 17 . HA . . . A . 18 . HN . . rr_2mix 1
123 1 . . 1 1 18 18 GLN HA H . . . 1 1 19 19 SER H H . . . . . 2.916 1.853 3.979 . . . . . A . 18 GLN HA . . A . 19 SER H . A . 18 . HA . . . A . 19 . HN . . rr_2mix 1
124 1 . . 1 1 19 19 SER HA H . . . 1 1 20 20 CYS H H . . . . . 3.490 1.968 5.012 . . . . . A . 19 SER HA . . A . 20 CYS H . A . 19 . HA . . . A . 20 . HN . . rr_2mix 1
125 1 . . 1 1 15 15 VAL MG2 H . . . 1 1 16 16 CYS H H . . . . . 3.450 1.962 4.938 . . . . . A . 15 VAL MG2 . . A . 16 CYS H . A . 15 . HG21 . . . A . 16 . HN . . rr_2mix 1
126 1 . . 1 1 15 15 VAL MG1 H . . . 1 1 16 16 CYS H H . . . . . 2.855 1.836 3.874 . . . . . A . 15 VAL MG1 . . A . 16 CYS H . A . 15 . HG11 . . . A . 16 . HN . . rr_2mix 1
127 1 . . 1 1 16 16 CYS HB3 H . . . 1 1 16 16 CYS H H . . . . . 2.453 1.701 3.205 . . . . . A . 16 CYS HB3 . . A . 16 CYS H . A . 16 . HB2 . . . A . 16 . HN . . rr_2mix 1
128 1 . . 1 1 7 7 CYS HA H . . . 1 1 16 16 CYS H H . . . . . 3.625 1.982 5.268 . . . . . A . 7 CYS HA . . A . 16 CYS H . A . 7 . HA . . . A . 16 . HN . . rr_2mix 1
129 1 . . 1 1 16 16 CYS HA H . . . 1 1 16 16 CYS H H . . . . . 2.749 1.804 3.694 . . . . . A . 16 CYS HA . . A . 16 CYS H . A . 16 . HA . . . A . 16 . HN . . rr_2mix 1
130 1 . . 1 1 15 15 VAL HB H . . . 1 1 16 16 CYS H H . . . . . 3.476 1.966 4.986 . . . . . A . 15 VAL HB . . A . 16 CYS H . A . 15 . HB . . . A . 16 . HN . . rr_2mix 1
131 1 . . 1 1 15 15 VAL HA H . . . 1 1 15 15 VAL H H . . . . . 2.989 1.872 4.106 . . . . . A . 15 VAL HA . . A . 15 VAL H . A . 15 . HA . . . A . 15 . HN . . rr_2mix 1
132 1 . . 1 1 18 18 GLN HB2 H . . . 1 1 18 18 GLN H H . . . . . 2.766 1.810 3.722 . . . . . A . 18 GLN HB2 . . A . 18 GLN H . A . 18 . HB1 . . . A . 18 . HN . . rr_2mix 1
133 1 . . 1 1 18 18 GLN HG3 H . . . 1 1 18 18 GLN H H . . . . . 2.832 1.830 3.834 . . . . . A . 18 GLN HG3 . . A . 18 GLN H . A . 18 . HG2 . . . A . 18 . HN . . rr_2mix 1
134 1 . . 1 1 18 18 GLN HG2 H . . . 1 1 18 18 GLN H H . . . . . 3.326 1.943 4.709 . . . . . A . 18 GLN HG2 . . A . 18 GLN H . A . 18 . HG1 . . . A . 18 . HN . . rr_2mix 1
135 1 . . 1 1 18 18 GLN HA H . . . 1 1 18 18 GLN H H . . . . . 2.849 1.834 3.864 . . . . . A . 18 GLN HA . . A . 18 GLN H . A . 18 . HA . . . A . 18 . HN . . rr_2mix 1
136 1 . . 1 1 18 18 GLN HA H . . . 1 1 18 18 GLN HB2 H . . . . . 2.524 1.727 3.321 . . . . . A . 18 GLN HA . . A . 18 GLN HB2 . A . 18 . HA . . . A . 18 . HB1 . . rr_2mix 1
137 1 . . 1 1 18 18 GLN HG3 H . . . 1 1 18 18 GLN HG2 H . . . . . 1.897 1.447 2.347 . . . . . A . 18 GLN HG3 . . A . 18 GLN HG2 . A . 18 . HG2 . . . A . 18 . HG1 . . rr_2mix 1
138 1 . . 1 1 13 13 LYS HB3 H . . . 1 1 16 16 CYS H H . . . . . 4.319 1.988 6.650 . . . . . A . 13 LYS HB3 . . A . 16 CYS H . A . 13 . HB2 . . . A . 16 . HN . . rr_2mix 1
139 1 . . 1 1 3 3 ILE HG12 H . . . 1 1 9 9 TRP H H . . . . . 4.053 2.000 6.106 . . . . . A . 3 ILE HG12 . . A . 9 TRP H . A . 3 . HG11 . . . A . 9 . HN . . rr_2mix 1
140 1 . . 1 1 3 3 ILE H H . . . 1 1 2 2 ARG HA H . . . . . 2.239 1.612 2.866 . . . . . A . 3 ILE H . . A . 2 ARG HA . A . 3 . HN . . . A . 2 . HA . . rr_2mix 1
141 1 . . 1 1 9 9 TRP HB3 H . . . 1 1 9 9 TRP H H . . . . . 2.358 1.663 3.053 . . . . . A . 9 TRP HB3 . . A . 9 TRP H . A . 9 . HB2 . . . A . 9 . HN . . rr_2mix 1
142 1 . . 1 1 9 9 TRP HB2 H . . . 1 1 9 9 TRP H H . . . . . 2.310 1.643 2.977 . . . . . A . 9 TRP HB2 . . A . 9 TRP H . A . 9 . HB1 . . . A . 9 . HN . . rr_2mix 1
143 1 . . 1 1 8 8 TYR HB2 H . . . 1 1 9 9 TRP H H . . . . . 2.449 1.699 3.199 . . . . . A . 8 TYR HB2 . . A . 9 TRP H . A . 8 . HB1 . . . A . 9 . HN . . rr_2mix 1
144 1 . . 1 1 9 9 TRP HB3 H . . . 1 1 9 9 TRP HB2 H . . . . . 1.824 1.408 2.240 . . . . . A . 9 TRP HB3 . . A . 9 TRP HB2 . A . 9 . HB2 . . . A . 9 . HB1 . . rr_2mix 1
145 1 . . 1 1 9 9 TRP HD1 H . . . 1 1 9 9 TRP H H . . . . . 3.586 1.979 5.193 . . . . . A . 9 TRP HD1 . . A . 9 TRP H . A . 9 . HD1 . . . A . 9 . HN . . rr_2mix 1
146 1 . . 1 1 5 5 CYS HB2 H . . . 1 1 5 5 CYS H H . . . . . 3.024 1.881 4.167 . . . . . A . 5 CYS HB2 . . A . 5 CYS H . A . 5 . HB1 . . . A . 5 . HN . . rr_2mix 1
147 1 . . 1 1 5 5 CYS H H . . . 1 1 5 5 CYS HA H . . . . . 2.722 1.796 3.648 . . . . . A . 5 CYS H . . A . 5 CYS HA . A . 5 . HN . . . A . 5 . HA . . rr_2mix 1
148 1 . . 1 1 20 20 CYS HA H . . . 1 1 5 5 CYS H H . . . . . 3.443 1.961 4.925 . . . . . A . 20 CYS HA . . A . 5 CYS H . A . 20 . HA . . . A . 5 . HN . . rr_2mix 1
149 1 . . 1 1 5 5 CYS H H . . . 1 1 5 5 CYS HB3 H . . . . . 4.861 1.907 7.815 . . . . . A . 5 CYS H . . A . 5 CYS HB3 . A . 5 . HN . . . A . 5 . HB2 . . rr_2mix 1
150 1 . . 1 1 19 19 SER HB2 H . . . 1 1 5 5 CYS H H . . . . . 3.568 1.977 5.159 . . . . . A . 19 SER HB2 . . A . 5 CYS H . A . 19 . HB1 . . . A . 5 . HN . . rr_2mix 1
151 1 . . 1 1 4 4 CYS HB3 H . . . 1 1 5 5 CYS H H . . . . . 2.596 1.754 3.438 . . . . . A . 4 CYS HB3 . . A . 5 CYS H . A . 4 . HB2 . . . A . 5 . HN . . rr_2mix 1
152 1 . . 1 1 4 4 CYS HB2 H . . . 1 1 5 5 CYS H H . . . . . 3.165 1.913 4.417 . . . . . A . 4 CYS HB2 . . A . 5 CYS H . A . 4 . HB1 . . . A . 5 . HN . . rr_2mix 1
153 1 . . 1 1 18 18 GLN HA H . . . 1 1 5 5 CYS H H . . . . . 3.390 1.954 4.826 . . . . . A . 18 GLN HA . . A . 5 CYS H . A . 18 . HA . . . A . 5 . HN . . rr_2mix 1
154 1 . . 1 1 20 20 CYS H H . . . 1 1 5 5 CYS HA H . . . . . 2.923 1.855 3.991 . . . . . A . 20 CYS H . . A . 5 CYS HA . A . 20 . HN . . . A . 5 . HA . . rr_2mix 1
155 1 . . 1 1 5 5 CYS HA H . . . 1 1 5 5 CYS HB3 H . . . . . 2.031 1.515 2.547 . . . . . A . 5 CYS HA . . A . 5 CYS HB3 . A . 5 . HA . . . A . 5 . HB2 . . rr_2mix 1
156 1 . . 1 1 5 5 CYS HB2 H . . . 1 1 5 5 CYS HA H . . . . . 2.238 1.612 2.864 . . . . . A . 5 CYS HB2 . . A . 5 CYS HA . A . 5 . HB1 . . . A . 5 . HA . . rr_2mix 1
157 1 . . 1 1 5 5 CYS HB2 H . . . 1 1 5 5 CYS HB3 H . . . . . 1.902 1.450 2.354 . . . . . A . 5 CYS HB2 . . A . 5 CYS HB3 . A . 5 . HB1 . . . A . 5 . HB2 . . rr_2mix 1
158 1 . . 1 1 17 17 SER HA H . . . 1 1 17 17 SER H H . . . . . 2.923 1.855 3.991 . . . . . A . 17 SER HA . . A . 17 SER H . A . 17 . HA . . . A . 17 . HN . . rr_2mix 1
159 1 . . 1 1 17 17 SER HB2 H . . . 1 1 17 17 SER H H . . . . . 2.856 1.837 3.875 . . . . . A . 17 SER HB2 . . A . 17 SER H . A . 17 . HB1 . . . A . 17 . HN . . rr_2mix 1
160 1 . . 1 1 16 16 CYS HB3 H . . . 1 1 17 17 SER H H . . . . . 2.639 1.769 3.509 . . . . . A . 16 CYS HB3 . . A . 17 SER H . A . 16 . HB2 . . . A . 17 . HN . . rr_2mix 1
161 1 . . 1 1 17 17 SER HB3 H . . . 1 1 17 17 SER H H . . . . . 3.025 1.881 4.169 . . . . . A . 17 SER HB3 . . A . 17 SER H . A . 17 . HB2 . . . A . 17 . HN . . rr_2mix 1
162 1 . . 1 1 8 8 TYR HB2 H . . . 1 1 8 8 TYR H H . . . . . 2.690 1.786 3.594 . . . . . A . 8 TYR HB2 . . A . 8 TYR H . A . 8 . HB1 . . . A . 8 . HN . . rr_2mix 1
163 1 OR . 1 1 8 8 TYR HE1 H . . . 1 1 8 8 TYR H H . . . . . 4.050 2.000 6.100 . . . . . A . 8 TYR HE1 . . A . 8 TYR H . A . 8 . HE1 . . . A . 8 . HN . . rr_2mix 1
163 2 OR . 1 1 8 8 TYR HE2 H . . . 1 1 8 8 TYR H H . . . . . 4.050 2.000 6.100 . . . . . A . 8 TYR HE2 . . A . 8 TYR H . A . 8 . HE2 . . . A . 8 . HN . . rr_2mix 1
164 1 . . 1 1 7 7 CYS HB2 H . . . 1 1 8 8 TYR H H . . . . . 2.777 1.813 3.741 . . . . . A . 7 CYS HB2 . . A . 8 TYR H . A . 7 . HB1 . . . A . 8 . HN . . rr_2mix 1
165 1 . . 1 1 6 6 GLY HA3 H . . . 1 1 6 6 GLY H H . . . . . 2.629 1.765 3.493 . . . . . A . 6 GLY HA3 . . A . 6 GLY H . A . 6 . HA2 . . . A . 6 . HN . . rr_2mix 1
166 1 . . 1 1 6 6 GLY HA2 H . . . 1 1 6 6 GLY H H . . . . . 2.696 1.788 3.604 . . . . . A . 6 GLY HA2 . . A . 6 GLY H . A . 6 . HA1 . . . A . 6 . HN . . rr_2mix 1
167 1 . . 1 1 18 18 GLN HA H . . . 1 1 6 6 GLY H H . . . . . 3.126 1.904 4.348 . . . . . A . 18 GLN HA . . A . 6 GLY H . A . 18 . HA . . . A . 6 . HN . . rr_2mix 1
168 1 . . 1 1 16 16 CYS HA H . . . 1 1 6 6 GLY H H . . . . . 3.280 1.935 4.625 . . . . . A . 16 CYS HA . . A . 6 GLY H . A . 16 . HA . . . A . 6 . HN . . rr_2mix 1
169 1 . . 1 1 14 14 ASP HB2 H . . . 1 1 14 14 ASP H H . . . . . 2.372 1.669 3.075 . . . . . A . 14 ASP HB2 . . A . 14 ASP H . A . 14 . HB1 . . . A . 14 . HN . . rr_2mix 1
170 1 . . 1 1 14 14 ASP HB3 H . . . 1 1 14 14 ASP H H . . . . . 2.837 1.831 3.843 . . . . . A . 14 ASP HB3 . . A . 14 ASP H . A . 14 . HB2 . . . A . 14 . HN . . rr_2mix 1
171 1 . . 1 1 9 9 TRP HE3 H . . . 1 1 14 14 ASP H H . . . . . 2.992 1.873 4.111 . . . . . A . 9 TRP HE3 . . A . 14 ASP H . A . 9 . HE3 . . . A . 14 . HN . . rr_2mix 1
172 1 . . 1 1 9 9 TRP HZ3 H . . . 1 1 14 14 ASP H H . . . . . 2.961 1.865 4.057 . . . . . A . 9 TRP HZ3 . . A . 14 ASP H . A . 9 . HZ3 . . . A . 14 . HN . . rr_2mix 1
173 1 . . 1 1 13 13 LYS HA H . . . 1 1 14 14 ASP H H . . . . . 2.136 1.566 2.706 . . . . . A . 13 LYS HA . . A . 14 ASP H . A . 13 . HA . . . A . 14 . HN . . rr_2mix 1
174 1 . . 1 1 13 13 LYS HB2 H . . . 1 1 14 14 ASP H H . . . . . 2.837 1.831 3.843 . . . . . A . 13 LYS HB2 . . A . 14 ASP H . A . 13 . HB1 . . . A . 14 . HN . . rr_2mix 1
175 1 . . 1 1 13 13 LYS HB3 H . . . 1 1 14 14 ASP H H . . . . . 2.550 1.737 3.363 . . . . . A . 13 LYS HB3 . . A . 14 ASP H . A . 13 . HB2 . . . A . 14 . HN . . rr_2mix 1
176 1 . . 1 1 7 7 CYS HA H . . . 1 1 7 7 CYS H H . . . . . 2.901 1.849 3.953 . . . . . A . 7 CYS HA . . A . 7 CYS H . A . 7 . HA . . . A . 7 . HN . . rr_2mix 1
177 1 . . 1 1 7 7 CYS HB3 H . . . 1 1 7 7 CYS H H . . . . . 2.551 1.737 3.365 . . . . . A . 7 CYS HB3 . . A . 7 CYS H . A . 7 . HB2 . . . A . 7 . HN . . rr_2mix 1
178 1 . . 1 1 7 7 CYS HB2 H . . . 1 1 7 7 CYS H H . . . . . 3.034 1.883 4.185 . . . . . A . 7 CYS HB2 . . A . 7 CYS H . A . 7 . HB1 . . . A . 7 . HN . . rr_2mix 1
179 1 . . 1 1 7 7 CYS HB2 H . . . 1 1 7 7 CYS HB3 H . . . . . 1.847 1.421 2.273 . . . . . A . 7 CYS HB2 . . A . 7 CYS HB3 . A . 7 . HB1 . . . A . 7 . HB2 . . rr_2mix 1
180 1 . . 1 1 19 19 SER HA H . . . 1 1 19 19 SER H H . . . . . 2.574 1.746 3.402 . . . . . A . 19 SER HA . . A . 19 SER H . A . 19 . HA . . . A . 19 . HN . . rr_2mix 1
181 1 . . 1 1 19 19 SER HB2 H . . . 1 1 19 19 SER H H . . . . . 2.798 1.819 3.777 . . . . . A . 19 SER HB2 . . A . 19 SER H . A . 19 . HB1 . . . A . 19 . HN . . rr_2mix 1
182 1 . . 1 1 19 19 SER HB3 H . . . 1 1 19 19 SER H H . . . . . 2.735 1.800 3.670 . . . . . A . 19 SER HB3 . . A . 19 SER H . A . 19 . HB2 . . . A . 19 . HN . . rr_2mix 1
183 1 . . 1 1 3 3 ILE HB H . . . 1 1 3 3 ILE H H . . . . . 2.489 1.714 3.264 . . . . . A . 3 ILE HB . . A . 3 ILE H . A . 3 . HB . . . A . 3 . HN . . rr_2mix 1
184 1 . . 1 1 3 3 ILE HG12 H . . . 1 1 3 3 ILE H H . . . . . 2.874 1.842 3.906 . . . . . A . 3 ILE HG12 . . A . 3 ILE H . A . 3 . HG11 . . . A . 3 . HN . . rr_2mix 1
185 1 . . 1 1 3 3 ILE HG13 H . . . 1 1 3 3 ILE H H . . . . . 2.647 1.771 3.523 . . . . . A . 3 ILE HG13 . . A . 3 ILE H . A . 3 . HG12 . . . A . 3 . HN . . rr_2mix 1
186 1 . . 1 1 3 3 ILE MD H . . . 1 1 3 3 ILE H H . . . . . 2.625 1.763 3.487 . . . . . A . 3 ILE MD . . A . 3 ILE H . A . 3 . HD11 . . . A . 3 . HN . . rr_2mix 1
187 1 . . 1 1 3 3 ILE HA H . . . 1 1 3 3 ILE H H . . . . . 2.782 1.814 3.750 . . . . . A . 3 ILE HA . . A . 3 ILE H . A . 3 . HA . . . A . 3 . HN . . rr_2mix 1
188 1 . . 1 1 3 3 ILE MG H . . . 1 1 3 3 ILE H H . . . . . 3.262 1.932 4.592 . . . . . A . 3 ILE MG . . A . 3 ILE H . A . 3 . HG21 . . . A . 3 . HN . . rr_2mix 1
189 1 . . 1 1 3 3 ILE HA H . . . 1 1 3 3 ILE HG12 H . . . . . 2.792 1.818 3.766 . . . . . A . 3 ILE HA . . A . 3 ILE HG12 . A . 3 . HA . . . A . 3 . HG11 . . rr_2mix 1
190 1 . . 1 1 3 3 ILE HB H . . . 1 1 3 3 ILE HG13 H . . . . . 2.817 1.825 3.809 . . . . . A . 3 ILE HB . . A . 3 ILE HG13 . A . 3 . HB . . . A . 3 . HG12 . . rr_2mix 1
191 1 . . 1 1 3 3 ILE MD H . . . 1 1 3 3 ILE MG H . . . . . 1.913 1.455 2.371 . . . . . A . 3 ILE MD . . A . 3 ILE MG . A . 3 . HD11 . . . A . 3 . HG21 . . rr_2mix 1
192 1 . . 1 1 10 10 ASN HB2 H . . . 1 1 10 10 ASN H H . . . . . 2.850 1.835 3.865 . . . . . A . 10 ASN HB2 . . A . 10 ASN H . A . 10 . HB1 . . . A . 10 . HN . . rr_2mix 1
193 1 . . 1 1 10 10 ASN HB3 H . . . 1 1 10 10 ASN HB2 H . . . . . 1.859 1.427 2.291 . . . . . A . 10 ASN HB3 . . A . 10 ASN HB2 . A . 10 . HB2 . . . A . 10 . HB1 . . rr_2mix 1
194 1 . . 1 1 10 10 ASN HB3 H . . . 1 1 10 10 ASN H H . . . . . 3.001 1.875 4.127 . . . . . A . 10 ASN HB3 . . A . 10 ASN H . A . 10 . HB2 . . . A . 10 . HN . . rr_2mix 1
195 1 . . 1 1 3 3 ILE MD H . . . 1 1 10 10 ASN H H . . . . . 3.341 1.946 4.736 . . . . . A . 3 ILE MD . . A . 10 ASN H . A . 3 . HD11 . . . A . 10 . HN . . rr_2mix 1
196 1 . . 1 1 12 12 SER HA H . . . 1 1 12 12 SER H H . . . . . 2.613 1.760 3.466 . . . . . A . 12 SER HA . . A . 12 SER H . A . 12 . HA . . . A . 12 . HN . . rr_2mix 1
197 1 . . 1 1 12 12 SER HB3 H . . . 1 1 12 12 SER H H . . . . . 2.697 1.788 3.606 . . . . . A . 12 SER HB3 . . A . 12 SER H . A . 12 . HB2 . . . A . 12 . HN . . rr_2mix 1
198 1 . . 1 1 11 11 GLY HA3 H . . . 1 1 12 12 SER H H . . . . . 2.717 1.794 3.640 . . . . . A . 11 GLY HA3 . . A . 12 SER H . A . 11 . HA2 . . . A . 12 . HN . . rr_2mix 1
199 1 . . 1 1 4 4 CYS HB2 H . . . 1 1 4 4 CYS H H . . . . . 2.867 1.840 3.894 . . . . . A . 4 CYS HB2 . . A . 4 CYS H . A . 4 . HB1 . . . A . 4 . HN . . rr_2mix 1
200 1 . . 1 1 4 4 CYS HB3 H . . . 1 1 4 4 CYS H H . . . . . 3.334 1.945 4.723 . . . . . A . 4 CYS HB3 . . A . 4 CYS H . A . 4 . HB2 . . . A . 4 . HN . . rr_2mix 1
201 1 . . 1 1 2 2 ARG HG2 H . . . 1 1 4 4 CYS H H . . . . . 3.166 1.913 4.419 . . . . . A . 2 ARG HG2 . . A . 4 CYS H . A . 2 . HG1 . . . A . 4 . HN . . rr_2mix 1
202 1 . . 1 1 3 3 ILE HG13 H . . . 1 1 4 4 CYS H H . . . . . 3.506 1.969 5.043 . . . . . A . 3 ILE HG13 . . A . 4 CYS H . A . 3 . HG12 . . . A . 4 . HN . . rr_2mix 1
203 1 . . 1 1 3 3 ILE HG12 H . . . 1 1 4 4 CYS H H . . . . . 3.376 1.951 4.801 . . . . . A . 3 ILE HG12 . . A . 4 CYS H . A . 3 . HG11 . . . A . 4 . HN . . rr_2mix 1
204 1 . . 1 1 3 3 ILE MG H . . . 1 1 4 4 CYS H H . . . . . 3.614 1.982 5.246 . . . . . A . 3 ILE MG . . A . 4 CYS H . A . 3 . HG21 . . . A . 4 . HN . . rr_2mix 1
205 1 . . 1 1 4 4 CYS HB2 H . . . 1 1 4 4 CYS HB3 H . . . . . 1.892 1.445 2.339 . . . . . A . 4 CYS HB2 . . A . 4 CYS HB3 . A . 4 . HB1 . . . A . 4 . HB2 . . rr_2mix 1
206 1 . . 1 1 2 2 ARG HB3 H . . . 1 1 2 2 ARG H H . . . . . 3.171 1.914 4.428 . . . . . A . 2 ARG HB3 . . A . 2 ARG H . A . 2 . HB2 . . . A . 2 . HN . . rr_2mix 1
207 1 . . 1 1 2 2 ARG HG3 H . . . 1 1 2 2 ARG H H . . . . . 3.252 1.930 4.574 . . . . . A . 2 ARG HG3 . . A . 2 ARG H . A . 2 . HG2 . . . A . 2 . HN . . rr_2mix 1
208 1 . . 1 1 2 2 ARG HD2 H . . . 1 1 2 2 ARG H H . . . . . 2.962 1.865 4.059 . . . . . A . 2 ARG HD2 . . A . 2 ARG H . A . 2 . HD1 . . . A . 2 . HN . . rr_2mix 1
209 1 . . 1 1 2 2 ARG HG2 H . . . 1 1 2 2 ARG H H . . . . . 3.266 1.933 4.599 . . . . . A . 2 ARG HG2 . . A . 2 ARG H . A . 2 . HG1 . . . A . 2 . HN . . rr_2mix 1
210 1 . . 1 1 2 2 ARG HB3 H . . . 1 1 2 2 ARG HA H . . . . . 2.623 1.763 3.483 . . . . . A . 2 ARG HB3 . . A . 2 ARG HA . A . 2 . HB2 . . . A . 2 . HA . . rr_2mix 1
211 1 . . 1 1 2 2 ARG HG2 H . . . 1 1 2 2 ARG HA H . . . . . 2.509 1.722 3.296 . . . . . A . 2 ARG HG2 . . A . 2 ARG HA . A . 2 . HG1 . . . A . 2 . HA . . rr_2mix 1
212 1 . . 1 1 2 2 ARG HG3 H . . . 1 1 2 2 ARG HA H . . . . . 2.785 1.816 3.754 . . . . . A . 2 ARG HG3 . . A . 2 ARG HA . A . 2 . HG2 . . . A . 2 . HA . . rr_2mix 1
213 1 . . 1 1 2 2 ARG HD2 H . . . 1 1 2 2 ARG HA H . . . . . 3.159 1.912 4.406 . . . . . A . 2 ARG HD2 . . A . 2 ARG HA . A . 2 . HD1 . . . A . 2 . HA . . rr_2mix 1
214 1 . . 1 1 2 2 ARG HG2 H . . . 1 1 2 2 ARG HB3 H . . . . . 1.976 1.488 2.464 . . . . . A . 2 ARG HG2 . . A . 2 ARG HB3 . A . 2 . HG1 . . . A . 2 . HB2 . . rr_2mix 1
215 1 . . 1 1 2 2 ARG HG2 H . . . 1 1 2 2 ARG HG3 H . . . . . 1.718 1.349 2.087 . . . . . A . 2 ARG HG2 . . A . 2 ARG HG3 . A . 2 . HG1 . . . A . 2 . HG2 . . rr_2mix 1
216 1 . . 1 1 7 7 CYS HA H . . . 1 1 7 7 CYS HB3 H . . . . . 2.499 1.718 3.280 . . . . . A . 7 CYS HA . . A . 7 CYS HB3 . A . 7 . HA . . . A . 7 . HB2 . . rr_2mix 1
217 1 . . 1 1 7 7 CYS HA H . . . 1 1 7 7 CYS HB2 H . . . . . 2.471 1.708 3.234 . . . . . A . 7 CYS HA . . A . 7 CYS HB2 . A . 7 . HA . . . A . 7 . HB1 . . rr_2mix 1
218 1 . . 1 1 16 16 CYS HA H . . . 1 1 16 16 CYS HB3 H . . . . . 2.359 1.663 3.055 . . . . . A . 16 CYS HA . . A . 16 CYS HB3 . A . 16 . HA . . . A . 16 . HB2 . . rr_2mix 1
219 1 . . 1 1 11 11 GLY HA2 H . . . 1 1 11 11 GLY H H . . . . . 2.429 1.691 3.167 . . . . . A . 11 GLY HA2 . . A . 11 GLY H . A . 11 . HA1 . . . A . 11 . HN . . rr_2mix 1
220 1 . . 1 1 20 20 CYS HA H . . . 1 1 20 20 CYS HB3 H . . . . . 2.391 1.677 3.105 . . . . . A . 20 CYS HA . . A . 20 CYS HB3 . A . 20 . HA . . . A . 20 . HB2 . . rr_2mix 1
221 1 . . 1 1 20 20 CYS HB2 H . . . 1 1 20 20 CYS HB3 H . . . . . 1.847 1.420 2.274 . . . . . A . 20 CYS HB2 . . A . 20 CYS HB3 . A . 20 . HB1 . . . A . 20 . HB2 . . rr_2mix 1
222 1 . . 1 1 20 20 CYS H H . . . 1 1 20 20 CYS HB3 H . . . . . 2.911 1.852 3.970 . . . . . A . 20 CYS H . . A . 20 CYS HB3 . A . 20 . HN . . . A . 20 . HB2 . . rr_2mix 1
223 1 . . 1 1 20 20 CYS HB2 H . . . 1 1 20 20 CYS H H . . . . . 2.383 1.673 3.093 . . . . . A . 20 CYS HB2 . . A . 20 CYS H . A . 20 . HB1 . . . A . 20 . HN . . rr_2mix 1
224 1 . . 1 1 18 18 GLN HA H . . . 1 1 20 20 CYS H H . . . . . 3.301 1.939 4.663 . . . . . A . 18 GLN HA . . A . 20 CYS H . A . 18 . HA . . . A . 20 . HN . . rr_2mix 1
225 1 . . 1 1 20 20 CYS HA H . . . 1 1 20 20 CYS H H . . . . . 2.786 1.816 3.756 . . . . . A . 20 CYS HA . . A . 20 CYS H . A . 20 . HA . . . A . 20 . HN . . rr_2mix 1
226 1 . . 1 1 11 11 GLY HA3 H . . . 1 1 11 11 GLY HA2 H . . . . . 1.891 1.444 2.338 . . . . . A . 11 GLY HA3 . . A . 11 GLY HA2 . A . 11 . HA2 . . . A . 11 . HA1 . . rr_2mix 1
227 1 . . 1 1 9 9 TRP HE3 H . . . 1 1 9 9 TRP HZ3 H . . . . . 2.268 1.625 2.911 . . . . . A . 9 TRP HE3 . . A . 9 TRP HZ3 . A . 9 . HE3 . . . A . 9 . HZ3 . . rr_2mix 1
228 1 . . 1 1 9 9 TRP HE3 H . . . 1 1 9 9 TRP HH2 H . . . . . 3.030 1.882 4.178 . . . . . A . 9 TRP HE3 . . A . 9 TRP HH2 . A . 9 . HE3 . . . A . 9 . HH2 . . rr_2mix 1
229 1 . . 1 1 9 9 TRP HZ2 H . . . 1 1 9 9 TRP HZ3 H . . . . . 3.134 1.906 4.362 . . . . . A . 9 TRP HZ2 . . A . 9 TRP HZ3 . A . 9 . HZ2 . . . A . 9 . HZ3 . . rr_2mix 1
230 1 . . 1 1 9 9 TRP HZ2 H . . . 1 1 9 9 TRP HH2 H . . . . . 2.396 1.678 3.114 . . . . . A . 9 TRP HZ2 . . A . 9 TRP HH2 . A . 9 . HZ2 . . . A . 9 . HH2 . . rr_2mix 1
231 1 . . 1 1 9 9 TRP HH2 H . . . 1 1 9 9 TRP HZ3 H . . . . . 2.013 1.506 2.520 . . . . . A . 9 TRP HH2 . . A . 9 TRP HZ3 . A . 9 . HH2 . . . A . 9 . HZ3 . . rr_2mix 1
232 1 OR . 1 1 8 8 TYR HD1 H . . . 1 1 8 8 TYR HE1 H . . . . . 2.038 1.519 2.557 . . . . . A . 8 TYR HD1 . . A . 8 TYR HE1 . A . 8 . HD1 . . . A . 8 . HE1 . . rr_2mix 1
232 2 OR . 1 1 8 8 TYR HD1 H . . . 1 1 8 8 TYR HE2 H . . . . . 2.038 1.519 2.557 . . . . . A . 8 TYR HD1 . . A . 8 TYR HE2 . A . 8 . HD1 . . . A . 8 . HE2 . . rr_2mix 1
232 3 OR . 1 1 8 8 TYR HD2 H . . . 1 1 8 8 TYR HE1 H . . . . . 2.038 1.519 2.557 . . . . . A . 8 TYR HD2 . . A . 8 TYR HE1 . A . 8 . HD2 . . . A . 8 . HE1 . . rr_2mix 1
232 4 OR . 1 1 8 8 TYR HD2 H . . . 1 1 8 8 TYR HE2 H . . . . . 2.038 1.519 2.557 . . . . . A . 8 TYR HD2 . . A . 8 TYR HE2 . A . 8 . HD2 . . . A . 8 . HE2 . . rr_2mix 1
233 1 . . 1 1 9 9 TRP HZ2 H . . . 1 1 12 12 SER HA H . . . . . 2.705 1.790 3.620 . . . . . A . 9 TRP HZ2 . . A . 12 SER HA . A . 9 . HZ2 . . . A . 12 . HA . . rr_2mix 1
234 1 . . 1 1 9 9 TRP HD1 H . . . 1 1 11 11 GLY H H . . . . . 2.959 1.865 4.053 . . . . . A . 9 TRP HD1 . . A . 11 GLY H . A . 9 . HD1 . . . A . 11 . HN . . rr_2mix 1
235 1 . . 1 1 9 9 TRP HD1 H . . . 1 1 11 11 GLY HA2 H . . . . . 3.060 1.890 4.230 . . . . . A . 9 TRP HD1 . . A . 11 GLY HA2 . A . 9 . HD1 . . . A . 11 . HA1 . . rr_2mix 1
236 1 . . 1 1 9 9 TRP HB3 H . . . 1 1 9 9 TRP HD1 H . . . . . 2.787 1.816 3.758 . . . . . A . 9 TRP HB3 . . A . 9 TRP HD1 . A . 9 . HB2 . . . A . 9 . HD1 . . rr_2mix 1
237 1 OR . 1 1 8 8 TYR HD2 H . . . 1 1 3 3 ILE MG H . . . . . 3.006 1.877 4.135 . . . . . A . 8 TYR HD2 . . A . 3 ILE MG . A . 8 . HD2 . . . A . 3 . HG21 . . rr_2mix 1
237 2 OR . 1 1 8 8 TYR HD1 H . . . 1 1 3 3 ILE MG H . . . . . 3.006 1.877 4.135 . . . . . A . 8 TYR HD1 . . A . 3 ILE MG . A . 8 . HD1 . . . A . 3 . HG21 . . rr_2mix 1
238 1 OR . 1 1 8 8 TYR HD1 H . . . 1 1 3 3 ILE HA H . . . . . 3.130 1.905 4.355 . . . . . A . 8 TYR HD1 . . A . 3 ILE HA . A . 8 . HD1 . . . A . 3 . HA . . rr_2mix 1
238 2 OR . 1 1 8 8 TYR HD2 H . . . 1 1 3 3 ILE HA H . . . . . 3.130 1.905 4.355 . . . . . A . 8 TYR HD2 . . A . 3 ILE HA . A . 8 . HD2 . . . A . 3 . HA . . rr_2mix 1
239 1 OR . 1 1 8 8 TYR HD1 H . . . 1 1 3 3 ILE HG12 H . . . . . 3.346 1.946 4.746 . . . . . A . 8 TYR HD1 . . A . 3 ILE HG12 . A . 8 . HD1 . . . A . 3 . HG11 . . rr_2mix 1
239 2 OR . 1 1 8 8 TYR HD2 H . . . 1 1 3 3 ILE HG12 H . . . . . 3.346 1.946 4.746 . . . . . A . 8 TYR HD2 . . A . 3 ILE HG12 . A . 8 . HD2 . . . A . 3 . HG11 . . rr_2mix 1
240 1 OR . 1 1 7 7 CYS HA H . . . 1 1 8 8 TYR HD1 H . . . . . 3.954 1.999 5.909 . . . . . A . 7 CYS HA . . A . 8 TYR HD1 . A . 7 . HA . . . A . 8 . HD1 . . rr_2mix 1
240 2 OR . 1 1 7 7 CYS HA H . . . 1 1 8 8 TYR HD2 H . . . . . 3.954 1.999 5.909 . . . . . A . 7 CYS HA . . A . 8 TYR HD2 . A . 7 . HA . . . A . 8 . HD2 . . rr_2mix 1
241 1 OR . 1 1 8 8 TYR HD1 H . . . 1 1 15 15 VAL MG2 H . . . . . 4.196 1.995 6.397 . . . . . A . 8 TYR HD1 . . A . 15 VAL MG2 . A . 8 . HD1 . . . A . 15 . HG21 . . rr_2mix 1
241 2 OR . 1 1 8 8 TYR HD2 H . . . 1 1 15 15 VAL MG2 H . . . . . 4.196 1.995 6.397 . . . . . A . 8 TYR HD2 . . A . 15 VAL MG2 . A . 8 . HD2 . . . A . 15 . HG21 . . rr_2mix 1
242 1 OR . 1 1 3 3 ILE HB H . . . 1 1 8 8 TYR HE1 H . . . . . 3.157 1.911 4.403 . . . . . A . 3 ILE HB . . A . 8 TYR HE1 . A . 3 . HB . . . A . 8 . HE1 . . rr_2mix 1
242 2 OR . 1 1 3 3 ILE HB H . . . 1 1 8 8 TYR HE2 H . . . . . 3.157 1.911 4.403 . . . . . A . 3 ILE HB . . A . 8 TYR HE2 . A . 3 . HB . . . A . 8 . HE2 . . rr_2mix 1
243 1 OR . 1 1 8 8 TYR HE1 H . . . 1 1 3 3 ILE HG12 H . . . . . 3.378 1.952 4.804 . . . . . A . 8 TYR HE1 . . A . 3 ILE HG12 . A . 8 . HE1 . . . A . 3 . HG11 . . rr_2mix 1
243 2 OR . 1 1 8 8 TYR HE2 H . . . 1 1 3 3 ILE HG12 H . . . . . 3.378 1.952 4.804 . . . . . A . 8 TYR HE2 . . A . 3 ILE HG12 . A . 8 . HE2 . . . A . 3 . HG11 . . rr_2mix 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 "spec=D2O_...woWS, no=21, id=418, vol=2.763682e+05" 1 127 1 178 rr_2mix 1
2 "spec=D2O_...woWS, no=25, id=420, vol=4.144636e+04" 2 127 2 178 rr_2mix 1
3 "spec=D2O_...woWS, no=31, id=424, vol=1.874603e+04" 3 127 3 178 rr_2mix 1
4 "spec=D2O_...woWS, no=32, id=425, vol=6.276623e+04" 4 127 4 178 rr_2mix 1
5 "spec=D2O_...woWS, no=33, id=426, vol=2.477748e+04" 5 127 5 178 rr_2mix 1
6 "spec=D2O_...woWS, no=34, id=427, vol=3.580098e+04" 6 127 6 178 rr_2mix 1
7 "spec=D2O_...woWS, no=41, id=434, vol=9.609979e+04" 7 127 7 178 rr_2mix 1
8 "spec=D2O_...woWS, no=57, id=441, vol=1.702977e+04" 9 127 9 178 rr_2mix 1
9 "spec=D2O_...woWS, no=50, id=439, vol=5.997760e+03" 8 127 8 178 rr_2mix 1
10 "spec=D2O_...woWS, no=58, id=442, vol=4.108624e+04" 15 127 15 178 rr_2mix 1
11 "spec=D2O_...woWS, no=64, id=448, vol=3.130386e+05" 17 127 17 178 rr_2mix 1
12 "spec=D2O_...woWS, no=60, id=444, vol=9.709748e+04" 16 127 16 178 rr_2mix 1
13 "spec=D2O_...woWS, no=68, id=450, vol=5.427219e+04" 19 127 19 178 rr_2mix 1
14 "spec=D2O_...woWS, no=69, id=451, vol=2.421018e+04" 21 127 21 178 rr_2mix 1
15 "spec=D2O_...woWS, no=70, id=452, vol=6.275234e+04" 23 127 23 178 rr_2mix 1
16 "spec=D2O_...woWS, no=79, id=459, vol=9.409031e+03" 29 127 29 178 rr_2mix 1
17 "spec=D2O_...woWS, no=82, id=461, vol=1.558836e+04" 31 127 31 178 rr_2mix 1
18 "spec=D2O_...woWS, no=84, id=463, vol=2.447615e+04" 33 127 33 178 rr_2mix 1
19 "spec=D2O_...woWS, no=89, id=465, vol=2.060787e+04" 35 127 35 178 rr_2mix 1
20 "spec=D2O_...woWS, no=90, id=466, vol=6.385816e+04" 37 127 37 178 rr_2mix 1
21 "spec=D2O_...woWS, no=92, id=468, vol=4.365304e+04" 39 127 39 178 rr_2mix 1
22 "spec=D2O_...woWS, no=93, id=469, vol=7.172289e+04" 41 127 41 178 rr_2mix 1
23 "spec=D2O_...woWS, no=94, id=470, vol=2.227515e+04" 47 127 47 178 rr_2mix 1
24 "spec=D2O_...woWS, no=117, id=486, vol=2.932002e+04" 53 127 53 179 rr_2mix 1
25 "spec=D2O_...woWS, no=135, id=495, vol=2.426069e+04" 54 127 54 179 rr_2mix 1
26 "spec=D2O_...woWS, no=140, id=498, vol=1.531502e+04" 55 127 55 179 rr_2mix 1
27 "spec=D2O_...woWS, no=141, id=499, vol=2.030923e+05" 56 127 56 179 rr_2mix 1
28 "spec=D2O_...woWS, no=142, id=500, vol=5.161869e+04" 57 127 57 179 rr_2mix 1
29 "spec=D2O_...woWS, no=150, id=506, vol=6.003632e+05" 58 127 58 179 rr_2mix 1
30 "spec=D2O_...woWS, no=151, id=507, vol=8.629842e+04" 59 127 59 179 rr_2mix 1
31 "spec=D2O_...woWS, no=161, id=514, vol=2.364750e+04" 60 127 60 179 rr_2mix 1
32 "spec=D2O_...woWS, no=166, id=515, vol=6.340964e+04" 61 127 61 179 rr_2mix 1
33 "spec=D2O_...woWS, no=167, id=516, vol=5.388808e+04" 62 127 62 179 rr_2mix 1
34 "spec=D2O_...woWS, no=168, id=517, vol=3.813415e+04" 63 127 63 179 rr_2mix 1
35 "spec=D2O_...woWS, no=169, id=518, vol=3.039248e+04" 64 127 64 179 rr_2mix 1
36 "spec=D2O_...woWS, no=170, id=519, vol=4.542394e+04" 65 127 65 179 rr_2mix 1
37 "spec=D2O_...woWS, no=188, id=528, vol=5.319024e+05" 66 127 66 179 rr_2mix 1
38 "spec=D2O_...woWS, no=192, id=530, vol=3.281111e+04" 67 127 67 179 rr_2mix 1
39 "spec=D2O_...woWS, no=193, id=531, vol=4.605743e+04" 68 127 68 179 rr_2mix 1
40 "spec=D2O_...woWS, no=208, id=536, vol=3.662932e+04" 69 127 69 179 rr_2mix 1
41 "spec=D2O_...woWS, no=213, id=539, vol=7.975422e+04" 70 127 70 179 rr_2mix 1
42 "spec=D2O_...woWS, no=214, id=540, vol=7.578629e+04" 71 127 71 179 rr_2mix 1
43 "spec=D2O_...woWS, no=220, id=542, vol=5.222513e+05" 72 127 72 179 rr_2mix 1
44 "spec=D2O_...woWS, no=228, id=545, vol=4.097369e+05" 73 127 73 179 rr_2mix 1
45 "spec=D2O_...woWS, no=247, id=550, vol=9.856628e+04" 74 127 74 179 rr_2mix 1
46 "spec=D2O_...woWS, no=259, id=556, vol=1.769037e+05" 75 127 75 179 rr_2mix 1
47 "spec=D2O_...woWS, no=260, id=557, vol=1.885675e+05" 76 127 76 179 rr_2mix 1
48 "spec=D2O_...woWS, no=266, id=561, vol=5.458385e+05" 77 127 77 179 rr_2mix 1
49 "spec=D2O_...woWS, no=267, id=562, vol=2.430177e+05" 78 127 78 179 rr_2mix 1
50 "spec=D2O_...woWS, no=275, id=566, vol=1.374555e+05" 79 127 79 179 rr_2mix 1
51 "spec=D2O_...woWS, no=276, id=567, vol=1.184812e+05" 80 127 80 179 rr_2mix 1
52 "spec=D2O_...woWS, no=277, id=568, vol=1.559359e+05" 81 127 81 179 rr_2mix 1
53 "spec=D2O_...woWS, no=278, id=569, vol=1.750820e+05" 82 127 82 179 rr_2mix 1
54 "spec=D2O_...woWS, no=279, id=570, vol=3.226823e+04" 83 127 83 179 rr_2mix 1
55 "spec=D2O_...woWS, no=285, id=574, vol=9.175227e+04" 84 127 84 179 rr_2mix 1
56 "spec=D2O_...woWS, no=286, id=575, vol=2.085036e+05" 85 127 85 179 rr_2mix 1
57 "spec=D2O_...woWS, no=287, id=576, vol=1.314485e+05" 86 127 86 179 rr_2mix 1
58 "spec=D2O_...woWS, no=293, id=581, vol=2.123499e+05" 87 127 87 179 rr_2mix 1
59 "spec=D2O_...woWS, no=300, id=586, vol=2.493581e+04" 88 127 88 179 rr_2mix 1
60 "spec=D2O_...woWS, no=301, id=587, vol=2.266692e+04" 89 127 89 179 rr_2mix 1
61 "spec=D2O_...woWS, no=306, id=591, vol=6.892109e+04" 90 127 90 179 rr_2mix 1
62 "spec=D2O_...woWS, no=307, id=592, vol=8.231579e+04" 91 127 91 179 rr_2mix 1
63 "spec=D2O_...woWS, no=310, id=595, vol=9.288603e+04" 92 127 92 179 rr_2mix 1
64 "spec=D2O_...woWS, no=311, id=596, vol=1.259144e+05" 93 127 93 179 rr_2mix 1
65 "spec=D2O_...woWS, no=318, id=601, vol=7.425762e+06" 95 127 95 179 rr_2mix 1
66 "spec=D2O_...woWS, no=315, id=599, vol=5.323967e+05" 94 127 94 179 rr_2mix 1
67 "spec=D2O_...woWS, no=320, id=602, vol=8.098898e+04" 101 127 101 179 rr_2mix 1
68 "spec=D2O_...woWS, no=322, id=603, vol=6.924524e+04" 102 127 102 179 rr_2mix 1
69 "spec=D2O_...woWS, no=328, id=607, vol=1.445850e+05" 104 127 104 179 rr_2mix 1
70 "spec=D2O_...woWS, no=325, id=605, vol=4.256260e+04" 103 127 103 179 rr_2mix 1
71 "spec=D2O_...woWS, no=329, id=608, vol=1.385541e+05" 107 127 107 179 rr_2mix 1
72 "spec=D2O_...woWS, no=335, id=613, vol=2.250457e+05" 111 127 111 179 rr_2mix 1
73 "spec=D2O_...woWS, no=331, id=609, vol=6.292223e+04" 110 127 110 179 rr_2mix 1
74 "spec=D2O_...woWS, no=336, id=614, vol=2.316223e+05" 114 127 114 179 rr_2mix 1
75 "spec=D2O_...woWS, no=339, id=617, vol=3.266984e+05" 117 127 117 179 rr_2mix 1
76 "spec=D2O_...woWS, no=343, id=621, vol=6.588565e+04" 126 127 126 179 rr_2mix 1
77 "spec=D2O_...woWS, no=344, id=622, vol=4.385630e+04" 129 127 129 179 rr_2mix 1
78 "spec=D2O_...woWS, no=346, id=624, vol=1.492505e+05" 130 127 130 179 rr_2mix 1
79 "spec=D2O_...woWS, no=355, id=632, vol=1.953014e+05" 132 127 132 179 rr_2mix 1
80 "spec=D2O_...woWS, no=353, id=630, vol=1.267095e+05" 131 127 131 179 rr_2mix 1
81 "spec=D2O_...woWS, no=356, id=633, vol=1.114532e+05" 135 127 135 179 rr_2mix 1
82 "spec=D2O_...woWS, no=366, id=642, vol=8.688594e+04" 139 127 139 179 rr_2mix 1
83 "spec=D2O_...woWS, no=365, id=641, vol=3.838112e+05" 138 127 138 179 rr_2mix 1
84 "spec=D2O_...woWS, no=367, id=643, vol=1.519789e+05" 142 127 142 179 rr_2mix 1
85 "spec=D2O_...woWS, no=371, id=646, vol=1.559157e+05" 145 127 145 179 rr_2mix 1
86 "spec=D2O_...woWS, no=372, id=647, vol=1.989361e+05" 148 127 148 179 rr_2mix 1
87 "spec=D2O_...woWS, no=380, id=654, vol=8.579857e+05" 151 127 151 179 rr_2mix 1
88 "spec=D2O_...woWS, no=388, id=657, vol=3.889706e+04" 152 127 152 179 rr_2mix 1
89 "spec=D2O_...woWS, no=389, id=658, vol=2.281548e+04" 153 127 153 179 rr_2mix 1
90 "spec=D2O_...woWS, no=399, id=661, vol=3.321849e+04" 155 127 155 179 rr_2mix 1
91 "spec=D2O_...woWS, no=392, id=659, vol=6.587887e+04" 154 127 154 179 rr_2mix 1
92 "spec=D2O_...woWS, no=407, id=665, vol=8.760117e+04" 158 127 158 179 rr_2mix 1
93 "spec=D2O_...woWS, no=416, id=668, vol=2.486580e+04" 161 127 161 179 rr_2mix 1
94 "spec=NOES...s_5C, no=5, id=2, vol=2.927390e+04" 165 127 165 175 rr_2mix 1
95 "spec=NOES...s_5C, no=4, id=1, vol=1.655887e+05" 164 127 164 175 rr_2mix 1
96 "spec=NOES...s_5C, no=6, id=3, vol=9.653674e+04" 168 127 168 175 rr_2mix 1
97 "spec=NOES...s_5C, no=7, id=4, vol=4.353847e+04" 171 127 171 175 rr_2mix 1
98 "spec=NOES...s_5C, no=8, id=5, vol=1.101009e+05" 172 127 172 175 rr_2mix 1
99 "spec=NOES...s_5C, no=11, id=7, vol=2.765586e+05" 173 127 173 176 rr_2mix 1
100 "spec=NOES...s_5C, no=12, id=8, vol=1.167201e+05" 174 127 174 176 rr_2mix 1
101 "spec=NOES...s_5C, no=14, id=10, vol=1.255294e+05" 175 127 175 177 rr_2mix 1
102 "spec=NOES...s_5C, no=15, id=11, vol=3.882496e+04" 176 127 176 177 rr_2mix 1
103 "spec=NOES...s_5C, no=16, id=12, vol=3.738124e+04" 177 127 177 177 rr_2mix 1
104 "spec=NOES...s_5C, no=21, id=17, vol=6.453008e+04" 178 127 178 177 rr_2mix 1
105 "spec=NOES...s_5C, no=22, id=18, vol=1.320081e+05" 179 127 179 177 rr_2mix 1
106 "spec=NOES...s_5C, no=23, id=19, vol=7.129581e+04" 180 127 180 177 rr_2mix 1
107 "spec=NOES...s_5C, no=32, id=22, vol=1.701663e+05" 181 127 181 177 rr_2mix 1
108 "spec=NOES...s_5C, no=36, id=25, vol=1.690865e+05" 182 127 182 177 rr_2mix 1
109 "spec=NOES...s_5C, no=46, id=32, vol=9.802436e+04" 184 127 184 177 rr_2mix 1
110 "spec=NOES...s_5C, no=43, id=29, vol=6.354060e+04" 183 127 183 177 rr_2mix 1
111 "spec=NOES...s_5C, no=47, id=33, vol=4.422275e+04" 186 127 186 177 rr_2mix 1
112 "spec=NOES...s_5C, no=50, id=36, vol=5.766491e+05" 188 127 188 177 rr_2mix 1
113 "spec=NOES...s_5C, no=53, id=39, vol=7.716720e+04" 189 127 189 177 rr_2mix 1
114 "spec=NOES...s_5C, no=54, id=40, vol=3.268024e+05" 190 127 190 177 rr_2mix 1
115 "spec=NOES...s_5C, no=55, id=41, vol=3.906629e+05" 191 127 191 177 rr_2mix 1
116 "spec=NOES...s_5C, no=56, id=42, vol=6.499303e+04" 192 127 192 177 rr_2mix 1
117 "spec=NOES...s_5C, no=57, id=43, vol=3.312407e+05" 193 127 193 177 rr_2mix 1
118 "spec=NOES...s_5C, no=58, id=44, vol=2.337548e+05" 194 127 194 177 rr_2mix 1
119 "spec=NOES...s_5C, no=60, id=46, vol=1.796423e+05" 195 127 195 177 rr_2mix 1
120 "spec=NOES...s_5C, no=61, id=47, vol=1.459172e+03" 196 127 196 177 rr_2mix 1
121 "spec=NOES...s_5C, no=63, id=49, vol=3.855035e+04" 197 127 197 177 rr_2mix 1
122 "spec=NOES...s_5C, no=65, id=51, vol=5.509359e+05" 198 127 198 177 rr_2mix 1
123 "spec=NOES...s_5C, no=66, id=52, vol=4.085956e+05" 199 127 199 177 rr_2mix 1
124 "spec=NOES...s_5C, no=67, id=53, vol=6.784941e+04" 200 127 200 177 rr_2mix 1
125 "spec=NOES...s_5C, no=69, id=55, vol=2.470555e+04" 202 127 202 177 rr_2mix 1
126 "spec=NOES...s_5C, no=68, id=54, vol=2.307555e+04" 201 127 201 177 rr_2mix 1
127 "spec=NOES...s_5C, no=70, id=56, vol=7.703660e+04" 205 127 205 177 rr_2mix 1
128 "spec=NOES...s_5C, no=72, id=58, vol=1.911870e+05" 208 127 208 177 rr_2mix 1
129 "spec=NOES...s_5C, no=74, id=60, vol=1.835296e+04" 209 127 209 177 rr_2mix 1
130 "spec=NOES...s_5C, no=80, id=63, vol=9.649291e+04" 210 127 210 177 rr_2mix 1
131 "spec=NOES...s_5C, no=88, id=68, vol=8.795563e+06" 212 127 212 177 rr_2mix 1
132 "spec=NOES...s_5C, no=86, id=66, vol=2.364035e+04" 211 127 211 177 rr_2mix 1
133 "spec=NOES...s_5C, no=91, id=71, vol=5.840812e+04" 218 127 218 177 rr_2mix 1
134 "spec=NOES...s_5C, no=100, id=78, vol=9.314392e+04" 219 127 219 178 rr_2mix 1
135 "spec=NOES...s_5C, no=101, id=79, vol=8.083651e+04" 220 127 220 178 rr_2mix 1
136 "spec=NOES...s_5C, no=102, id=80, vol=3.079481e+04" 221 127 221 178 rr_2mix 1
137 "spec=NOES...s_5C, no=106, id=82, vol=7.790739e+04" 222 127 222 178 rr_2mix 1
138 "spec=NOES...s_5C, no=113, id=87, vol=1.610555e+05" 223 127 223 178 rr_2mix 1
139 "spec=NOES...s_5C, no=120, id=93, vol=8.929371e+05" 224 127 224 178 rr_2mix 1
140 "spec=NOES...s_5C, no=147, id=115, vol=6.423450e+03" 225 127 225 179 rr_2mix 1
141 "spec=NOES...s_5C, no=148, id=116, vol=9.409300e+03" 226 127 226 179 rr_2mix 1
142 "spec=NOES...s_5C, no=151, id=118, vol=3.309356e+05" 227 127 227 179 rr_2mix 1
143 "spec=NOES...s_5C, no=153, id=119, vol=2.423148e+05" 228 127 228 179 rr_2mix 1
144 "spec=NOES...s_5C, no=154, id=120, vol=2.745937e+05" 229 127 229 179 rr_2mix 1
145 "spec=NOES...s_5C, no=155, id=121, vol=1.932031e+05" 230 127 230 179 rr_2mix 1
146 "spec=NOES...s_5C, no=162, id=126, vol=1.132185e+06" 231 127 231 179 rr_2mix 1
147 "spec=NOES...s_5C, no=167, id=129, vol=1.961378e+04" 232 127 232 179 rr_2mix 1
148 "spec=NOES...s_5C, no=168, id=130, vol=5.451259e+04" 233 127 233 179 rr_2mix 1
149 "spec=NOES...s_5C, no=171, id=131, vol=1.024630e+05" 234 127 234 179 rr_2mix 1
150 "spec=NOES...s_5C, no=172, id=132, vol=2.499950e+04" 235 127 235 179 rr_2mix 1
151 "spec=NOES...s_5C, no=173, id=133, vol=3.158575e+03" 236 127 236 179 rr_2mix 1
152 "spec=NOES...s_5C, no=174, id=134, vol=2.020652e+04" 237 127 237 179 rr_2mix 1
153 "spec=NOES...s_5C, no=175, id=135, vol=1.361760e+05" 238 127 238 179 rr_2mix 1
154 "spec=NOES...s_5C, no=176, id=136, vol=4.147467e+04" 239 127 239 179 rr_2mix 1
155 "spec=NOES...s_5C, no=178, id=138, vol=2.747740e+04" 240 127 240 179 rr_2mix 1
156 "spec=NOES...s_5C, no=180, id=139, vol=6.680792e+04" 241 127 241 179 rr_2mix 1
157 "spec=NOES...s_5C, no=182, id=140, vol=5.936601e+05" 242 127 242 179 rr_2mix 1
158 "spec=NOES...s_5C, no=183, id=141, vol=3.313485e+05" 243 127 243 179 rr_2mix 1
159 "spec=NOES...s_5C, no=188, id=145, vol=8.808821e+05" 244 127 244 179 rr_2mix 1
160 "spec=NOES...s_5C, no=195, id=149, vol=6.685815e+04" 245 127 245 179 rr_2mix 1
161 "spec=NOES...s_5C, no=202, id=153, vol=7.682889e+04" 246 127 246 179 rr_2mix 1
162 "spec=NOES...s_5C, no=203, id=154, vol=1.234434e+05" 247 127 247 179 rr_2mix 1
163 "spec=NOES...s_5C, no=205, id=156, vol=5.435108e+04" 248 127 248 179 rr_2mix 1
164 "spec=NOES...s_5C, no=215, id=164, vol=9.444064e+03" 250 127 250 179 rr_2mix 1
165 "spec=NOES...s_5C, no=214, id=163, vol=1.100268e+05" 249 127 249 179 rr_2mix 1
166 "spec=NOES...s_5C, no=220, id=169, vol=9.087691e+04" 252 127 252 179 rr_2mix 1
167 "spec=NOES...s_5C, no=225, id=171, vol=1.261638e+05" 253 127 253 179 rr_2mix 1
168 "spec=NOES...s_5C, no=226, id=172, vol=1.085904e+05" 254 127 254 179 rr_2mix 1
169 "spec=NOES...s_5C, no=228, id=174, vol=4.462812e+04" 255 127 255 179 rr_2mix 1
170 "spec=NOES...s_5C, no=229, id=175, vol=3.344978e+04" 256 127 256 179 rr_2mix 1
171 "spec=NOES...s_5C, no=241, id=180, vol=2.342392e+05" 257 127 257 179 rr_2mix 1
172 "spec=NOES...s_5C, no=242, id=181, vol=7.992876e+04" 258 127 258 179 rr_2mix 1
173 "spec=NOES...s_5C, no=246, id=183, vol=5.812649e+04" 259 127 259 179 rr_2mix 1
174 "spec=NOES...s_5C, no=248, id=185, vol=6.190247e+04" 260 127 260 179 rr_2mix 1
175 "spec=NOES...s_5C, no=250, id=186, vol=4.389744e+05" 261 127 261 179 rr_2mix 1
176 "spec=NOES...s_5C, no=251, id=187, vol=7.998324e+04" 262 127 262 179 rr_2mix 1
177 "spec=NOES...s_5C, no=252, id=188, vol=1.515022e+05" 263 127 263 179 rr_2mix 1
178 "spec=NOES...s_5C, no=261, id=194, vol=6.995523e+04" 264 127 264 179 rr_2mix 1
179 "spec=NOES...s_5C, no=269, id=199, vol=1.511240e+05" 265 127 265 179 rr_2mix 1
180 "spec=NOES...s_5C, no=270, id=200, vol=5.339849e+04" 266 127 266 179 rr_2mix 1
181 "spec=NOES...s_5C, no=274, id=202, vol=1.050426e+06" 267 127 267 179 rr_2mix 1
182 "spec=NOES...s_5C, no=279, id=205, vol=1.433016e+05" 268 127 268 179 rr_2mix 1
183 "spec=NOES...s_5C, no=280, id=206, vol=8.676878e+04" 269 127 269 179 rr_2mix 1
184 "spec=NOES...s_5C, no=281, id=207, vol=9.958822e+04" 270 127 270 179 rr_2mix 1
185 "spec=NOES...s_5C, no=290, id=213, vol=1.751939e+05" 271 127 271 179 rr_2mix 1
186 "spec=NOES...s_5C, no=291, id=214, vol=7.399402e+04" 272 127 272 179 rr_2mix 1
187 "spec=NOES...s_5C, no=293, id=216, vol=1.273048e+05" 274 127 274 179 rr_2mix 1
188 "spec=NOES...s_5C, no=292, id=215, vol=1.212848e+05" 273 127 273 179 rr_2mix 1
189 "spec=NOES...s_5C, no=302, id=223, vol=3.459643e+04" 278 127 278 179 rr_2mix 1
190 "spec=NOES...s_5C, no=294, id=217, vol=8.980493e+04" 277 127 277 179 rr_2mix 1
191 "spec=NOES...s_5C, no=306, id=226, vol=8.801953e+04" 281 127 281 179 rr_2mix 1
192 "spec=NOES...s_5C, no=336, id=253, vol=1.186644e+07" 283 127 283 179 rr_2mix 1
193 "spec=NOES...s_5C, no=321, id=240, vol=8.346966e+04" 282 127 282 179 rr_2mix 1
194 "spec=NOES...s_5C, no=337, id=254, vol=1.433587e+07" 289 127 289 179 rr_2mix 1
195 "spec=NOES...s_5C, no=338, id=255, vol=8.494645e+05" 295 127 295 179 rr_2mix 1
196 "spec=NOES...s_5C, no=339, id=256, vol=7.781016e+04" 304 127 304 179 rr_2mix 1
197 "spec=NOES...s_5C, no=352, id=265, vol=1.009976e+06" 305 127 305 179 rr_2mix 1
198 "spec=NOES...s_5C, no=359, id=269, vol=2.996881e+04" 307 127 307 179 rr_2mix 1
199 "spec=NOES...s_5C, no=356, id=266, vol=5.708828e+04" 306 127 306 179 rr_2mix 1
200 "spec=NOES...s_5C, no=362, id=271, vol=1.309806e+05" 310 127 310 179 rr_2mix 1
201 "spec=NOES...s_5C, no=363, id=272, vol=1.082619e+05" 311 127 311 179 rr_2mix 1
202 "spec=NOES...s_5C, no=371, id=278, vol=1.034867e+05" 312 127 312 179 rr_2mix 1
203 "spec=NOES...s_5C, no=373, id=280, vol=7.508671e+04" 313 127 313 179 rr_2mix 1
204 "spec=NOES...s_5C, no=376, id=282, vol=3.034504e+04" 314 127 314 179 rr_2mix 1
205 "spec=NOES...s_5C, no=378, id=284, vol=4.140042e+04" 315 127 315 179 rr_2mix 1
206 "spec=NOES...s_5C, no=380, id=286, vol=2.242813e+04" 316 127 316 179 rr_2mix 1
207 "spec=NOES...s_5C, no=389, id=294, vol=1.872016e+04" 318 127 318 179 rr_2mix 1
208 "spec=NOES...s_5C, no=387, id=292, vol=2.813520e+04" 317 127 317 179 rr_2mix 1
209 "spec=NOES...s_5C, no=396, id=296, vol=9.092463e+05" 321 127 321 179 rr_2mix 1
210 "spec=NOES...s_5C, no=408, id=302, vol=4.096510e+04" 322 127 322 179 rr_2mix 1
211 "spec=NOES...s_5C, no=410, id=304, vol=3.521239e+04" 323 127 323 179 rr_2mix 1
212 "spec=NOES...s_5C, no=412, id=305, vol=6.167744e+04" 324 127 324 179 rr_2mix 1
213 "spec=NOES...s_5C, no=414, id=307, vol=3.435061e+04" 325 127 325 179 rr_2mix 1
214 "spec=NOES...s_5C, no=417, id=309, vol=1.279404e+05" 326 127 326 179 rr_2mix 1
215 "spec=NOES...s_5C, no=418, id=310, vol=1.671179e+05" 327 127 327 179 rr_2mix 1
216 "spec=NOES...s_5C, no=422, id=314, vol=8.940327e+04" 328 127 328 179 rr_2mix 1
217 "spec=NOES...s_5C, no=423, id=315, vol=4.193848e+04" 329 127 329 179 rr_2mix 1
218 "spec=NOES...s_5C, no=433, id=324, vol=7.008474e+05" 330 127 330 179 rr_2mix 1
219 "spec=NOES...s_5C, no=438, id=327, vol=1.623395e+06" 331 127 331 179 rr_2mix 1
220 "spec=NOES...s_5C, no=439, id=328, vol=1.710624e+05" 332 127 332 179 rr_2mix 1
221 "spec=NOES...s_5C, no=440, id=329, vol=1.831644e+05" 333 127 333 179 rr_2mix 1
222 "spec=NOES...s_5C, no=441, id=330, vol=2.416578e+05" 334 127 334 179 rr_2mix 1
223 "spec=NOES...s_5C, no=448, id=333, vol=2.029130e+05" 335 127 335 179 rr_2mix 1
224 "spec=NOES...s_5C, no=452, id=335, vol=2.232204e+05" 336 127 336 179 rr_2mix 1
225 "spec=NOES...s_5C, no=457, id=336, vol=1.048451e+06" 337 127 337 179 rr_2mix 1
226 "spec=NOES...s_5C, no=465, id=341, vol=6.845427e+04" 338 127 338 179 rr_2mix 1
227 "spec=NOES...s_5C, no=466, id=342, vol=2.276146e+05" 339 127 339 179 rr_2mix 1
228 "spec=NOES...s_5C, no=469, id=344, vol=3.218471e+04" 340 127 340 179 rr_2mix 1
229 "spec=NOES...s_5C, no=470, id=345, vol=8.920720e+04" 341 127 341 179 rr_2mix 1
230 "spec=NOES...s_5C, no=478, id=350, vol=9.105241e+05" 342 127 342 179 rr_2mix 1
231 "spec=NOES...s_5C, no=481, id=351, vol=3.064714e+05" 343 127 343 179 rr_2mix 1
232 "spec=NOES...s_5C, no=483, id=353, vol=5.384426e+04" 344 127 344 179 rr_2mix 1
233 "spec=NOES...s_5C, no=492, id=356, vol=4.395315e+04" 345 127 345 179 rr_2mix 1
234 "spec=NOES...s_5C, no=493, id=357, vol=2.203111e+05" 346 127 346 179 rr_2mix 1
235 "spec=NOES...s_5C, no=498, id=361, vol=5.815290e+05" 348 127 348 179 rr_2mix 1
236 "spec=NOES...s_5C, no=496, id=359, vol=6.262125e+05" 347 127 347 179 rr_2mix 1
237 "spec=NOES...s_5C, no=499, id=362, vol=1.062916e+05" 352 127 352 179 rr_2mix 1
238 "spec=NOES...s_5C, no=500, id=363, vol=6.211241e+04" 353 127 353 179 rr_2mix 1
239 "spec=NOES...s_5C, no=501, id=364, vol=5.081553e+04" 354 127 354 179 rr_2mix 1
240 "spec=NOES...s_5C, no=510, id=371, vol=5.649684e+04" 356 127 356 179 rr_2mix 1
241 "spec=NOES...s_5C, no=502, id=365, vol=8.887990e+04" 355 127 355 179 rr_2mix 1
242 "spec=NOES...s_5C, no=512, id=372, vol=4.431936e+04" 362 127 362 179 rr_2mix 1
243 "spec=NOES...s_5C, no=516, id=376, vol=2.969273e+04" 364 127 364 179 rr_2mix 1
244 "spec=NOES...s_5C, no=520, id=379, vol=1.089927e+04" 366 127 366 179 rr_2mix 1
245 "spec=NOES...s_5C, no=527, id=386, vol=7.632120e+03" 368 127 368 179 rr_2mix 1
246 "spec=NOES...s_5C, no=534, id=390, vol=4.212588e+04" 374 127 374 179 rr_2mix 1
247 "spec=NOES...s_5C, no=536, id=392, vol=2.804764e+04" 376 127 376 179 rr_2mix 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_2mix
_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 3
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_2mix 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_2mix 1
2 1 . . . rr_2mix 1
3 1 . . . rr_2mix 1
4 1 . . . rr_2mix 1
5 1 . . . rr_2mix 1
6 1 . . . rr_2mix 1
7 1 . . . rr_2mix 1
8 1 . . . rr_2mix 1
9 1 2 . OR rr_2mix 1
9 2 . 3 . rr_2mix 1
9 3 . . . rr_2mix 1
10 1 . . . rr_2mix 1
11 1 . . . rr_2mix 1
12 1 2 . OR rr_2mix 1
12 2 . 3 . rr_2mix 1
12 3 . . . rr_2mix 1
13 1 2 . OR rr_2mix 1
13 2 . 3 . rr_2mix 1
13 3 . . . rr_2mix 1
14 1 2 . OR rr_2mix 1
14 2 . 3 . rr_2mix 1
14 3 . . . rr_2mix 1
15 1 2 . OR rr_2mix 1
15 2 . 3 . rr_2mix 1
15 3 . . . rr_2mix 1
16 1 2 . OR rr_2mix 1
16 2 . 3 . rr_2mix 1
16 3 . . . rr_2mix 1
17 1 2 . OR rr_2mix 1
17 2 . 3 . rr_2mix 1
17 3 . . . rr_2mix 1
18 1 2 . OR rr_2mix 1
18 2 . 3 . rr_2mix 1
18 3 . . . rr_2mix 1
19 1 2 . OR rr_2mix 1
19 2 . 3 . rr_2mix 1
19 3 . . . rr_2mix 1
20 1 2 . OR rr_2mix 1
20 2 . 3 . rr_2mix 1
20 3 . . . rr_2mix 1
21 1 2 . OR rr_2mix 1
21 2 . 3 . rr_2mix 1
21 3 . . . rr_2mix 1
22 1 2 . OR rr_2mix 1
22 2 . 3 . rr_2mix 1
22 3 . . . rr_2mix 1
23 1 2 . OR rr_2mix 1
23 2 . 3 . rr_2mix 1
23 3 . . . rr_2mix 1
24 1 . . . rr_2mix 1
25 1 . . . rr_2mix 1
26 1 . . . rr_2mix 1
27 1 . . . rr_2mix 1
28 1 . . . rr_2mix 1
29 1 . . . rr_2mix 1
30 1 . . . rr_2mix 1
31 1 . . . rr_2mix 1
32 1 . . . rr_2mix 1
33 1 . . . rr_2mix 1
34 1 . . . rr_2mix 1
35 1 . . . rr_2mix 1
36 1 . . . rr_2mix 1
37 1 . . . rr_2mix 1
38 1 . . . rr_2mix 1
39 1 . . . rr_2mix 1
40 1 . . . rr_2mix 1
41 1 . . . rr_2mix 1
42 1 . . . rr_2mix 1
43 1 . . . rr_2mix 1
44 1 . . . rr_2mix 1
45 1 . . . rr_2mix 1
46 1 . . . rr_2mix 1
47 1 . . . rr_2mix 1
48 1 . . . rr_2mix 1
49 1 . . . rr_2mix 1
50 1 . . . rr_2mix 1
51 1 . . . rr_2mix 1
52 1 . . . rr_2mix 1
53 1 . . . rr_2mix 1
54 1 . . . rr_2mix 1
55 1 . . . rr_2mix 1
56 1 . . . rr_2mix 1
57 1 . . . rr_2mix 1
58 1 . . . rr_2mix 1
59 1 . . . rr_2mix 1
60 1 . . . rr_2mix 1
61 1 . . . rr_2mix 1
62 1 . . . rr_2mix 1
63 1 . . . rr_2mix 1
64 1 . . . rr_2mix 1
65 1 . . . rr_2mix 1
66 1 . . . rr_2mix 1
67 1 . . . rr_2mix 1
68 1 . . . rr_2mix 1
69 1 . . . rr_2mix 1
70 1 . . . rr_2mix 1
71 1 . . . rr_2mix 1
72 1 . . . rr_2mix 1
73 1 . . . rr_2mix 1
74 1 . . . rr_2mix 1
75 1 . . . rr_2mix 1
76 1 . . . rr_2mix 1
77 1 . . . rr_2mix 1
78 1 . . . rr_2mix 1
79 1 . . . rr_2mix 1
80 1 . . . rr_2mix 1
81 1 . . . rr_2mix 1
82 1 . . . rr_2mix 1
83 1 . . . rr_2mix 1
84 1 . . . rr_2mix 1
85 1 . . . rr_2mix 1
86 1 . . . rr_2mix 1
87 1 . . . rr_2mix 1
88 1 . . . rr_2mix 1
89 1 . . . rr_2mix 1
90 1 . . . rr_2mix 1
91 1 . . . rr_2mix 1
92 1 . . . rr_2mix 1
93 1 . . . rr_2mix 1
94 1 . . . rr_2mix 1
95 1 . . . rr_2mix 1
96 1 . . . rr_2mix 1
97 1 . . . rr_2mix 1
98 1 . . . rr_2mix 1
99 1 . . . rr_2mix 1
100 1 . . . rr_2mix 1
101 1 . . . rr_2mix 1
102 1 . . . rr_2mix 1
103 1 . . . rr_2mix 1
104 1 . . . rr_2mix 1
105 1 . . . rr_2mix 1
106 1 . . . rr_2mix 1
107 1 . . . rr_2mix 1
108 1 . . . rr_2mix 1
109 1 2 . OR rr_2mix 1
109 2 . 3 . rr_2mix 1
109 3 . . . rr_2mix 1
110 1 2 . OR rr_2mix 1
110 2 . 3 . rr_2mix 1
110 3 . . . rr_2mix 1
111 1 . . . rr_2mix 1
112 1 . . . rr_2mix 1
113 1 . . . rr_2mix 1
114 1 . . . rr_2mix 1
115 1 . . . rr_2mix 1
116 1 . . . rr_2mix 1
117 1 . . . rr_2mix 1
118 1 . . . rr_2mix 1
119 1 . . . rr_2mix 1
120 1 . . . rr_2mix 1
121 1 . . . rr_2mix 1
122 1 . . . rr_2mix 1
123 1 . . . rr_2mix 1
124 1 . . . rr_2mix 1
125 1 . . . rr_2mix 1
126 1 . . . rr_2mix 1
127 1 . . . rr_2mix 1
128 1 . . . rr_2mix 1
129 1 . . . rr_2mix 1
130 1 . . . rr_2mix 1
131 1 . . . rr_2mix 1
132 1 . . . rr_2mix 1
133 1 . . . rr_2mix 1
134 1 . . . rr_2mix 1
135 1 . . . rr_2mix 1
136 1 . . . rr_2mix 1
137 1 . . . rr_2mix 1
138 1 . . . rr_2mix 1
139 1 . . . rr_2mix 1
140 1 . . . rr_2mix 1
141 1 . . . rr_2mix 1
142 1 . . . rr_2mix 1
143 1 . . . rr_2mix 1
144 1 . . . rr_2mix 1
145 1 . . . rr_2mix 1
146 1 . . . rr_2mix 1
147 1 . . . rr_2mix 1
148 1 . . . rr_2mix 1
149 1 . . . rr_2mix 1
150 1 . . . rr_2mix 1
151 1 . . . rr_2mix 1
152 1 . . . rr_2mix 1
153 1 . . . rr_2mix 1
154 1 . . . rr_2mix 1
155 1 . . . rr_2mix 1
156 1 . . . rr_2mix 1
157 1 . . . rr_2mix 1
158 1 . . . rr_2mix 1
159 1 . . . rr_2mix 1
160 1 . . . rr_2mix 1
161 1 . . . rr_2mix 1
162 1 . . . rr_2mix 1
163 1 2 . OR rr_2mix 1
163 2 . 3 . rr_2mix 1
163 3 . . . rr_2mix 1
164 1 . . . rr_2mix 1
165 1 . . . rr_2mix 1
166 1 . . . rr_2mix 1
167 1 . . . rr_2mix 1
168 1 . . . rr_2mix 1
169 1 . . . rr_2mix 1
170 1 . . . rr_2mix 1
171 1 . . . rr_2mix 1
172 1 . . . rr_2mix 1
173 1 . . . rr_2mix 1
174 1 . . . rr_2mix 1
175 1 . . . rr_2mix 1
176 1 . . . rr_2mix 1
177 1 . . . rr_2mix 1
178 1 . . . rr_2mix 1
179 1 . . . rr_2mix 1
180 1 . . . rr_2mix 1
181 1 . . . rr_2mix 1
182 1 . . . rr_2mix 1
183 1 . . . rr_2mix 1
184 1 . . . rr_2mix 1
185 1 . . . rr_2mix 1
186 1 . . . rr_2mix 1
187 1 . . . rr_2mix 1
188 1 . . . rr_2mix 1
189 1 . . . rr_2mix 1
190 1 . . . rr_2mix 1
191 1 . . . rr_2mix 1
192 1 . . . rr_2mix 1
193 1 . . . rr_2mix 1
194 1 . . . rr_2mix 1
195 1 . . . rr_2mix 1
196 1 . . . rr_2mix 1
197 1 . . . rr_2mix 1
198 1 . . . rr_2mix 1
199 1 . . . rr_2mix 1
200 1 . . . rr_2mix 1
201 1 . . . rr_2mix 1
202 1 . . . rr_2mix 1
203 1 . . . rr_2mix 1
204 1 . . . rr_2mix 1
205 1 . . . rr_2mix 1
206 1 . . . rr_2mix 1
207 1 . . . rr_2mix 1
208 1 . . . rr_2mix 1
209 1 . . . rr_2mix 1
210 1 . . . rr_2mix 1
211 1 . . . rr_2mix 1
212 1 . . . rr_2mix 1
213 1 . . . rr_2mix 1
214 1 . . . rr_2mix 1
215 1 . . . rr_2mix 1
216 1 . . . rr_2mix 1
217 1 . . . rr_2mix 1
218 1 . . . rr_2mix 1
219 1 . . . rr_2mix 1
220 1 . . . rr_2mix 1
221 1 . . . rr_2mix 1
222 1 . . . rr_2mix 1
223 1 . . . rr_2mix 1
224 1 . . . rr_2mix 1
225 1 . . . rr_2mix 1
226 1 . . . rr_2mix 1
227 1 . . . rr_2mix 1
228 1 . . . rr_2mix 1
229 1 . . . rr_2mix 1
230 1 . . . rr_2mix 1
231 1 . . . rr_2mix 1
232 1 2 . OR rr_2mix 1
232 2 . 3 . rr_2mix 1
232 3 . 4 . rr_2mix 1
232 4 . 5 . rr_2mix 1
232 5 . . . rr_2mix 1
233 1 . . . rr_2mix 1
234 1 . . . rr_2mix 1
235 1 . . . rr_2mix 1
236 1 . . . rr_2mix 1
237 1 2 . OR rr_2mix 1
237 2 . 3 . rr_2mix 1
237 3 . . . rr_2mix 1
238 1 2 . OR rr_2mix 1
238 2 . 3 . rr_2mix 1
238 3 . . . rr_2mix 1
239 1 2 . OR rr_2mix 1
239 2 . 3 . rr_2mix 1
239 3 . . . rr_2mix 1
240 1 2 . OR rr_2mix 1
240 2 . 3 . rr_2mix 1
240 3 . . . rr_2mix 1
241 1 2 . OR rr_2mix 1
241 2 . 3 . rr_2mix 1
241 3 . . . rr_2mix 1
242 1 2 . OR rr_2mix 1
242 2 . 3 . rr_2mix 1
242 3 . . . rr_2mix 1
243 1 2 . OR rr_2mix 1
243 2 . 3 . rr_2mix 1
243 3 . . . rr_2mix 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 7 7 CYS HA H . . A . 7 . HA rr_2mix 1
1 1 . 2 . 1 1 16 16 CYS HA H . . A . 16 . HA rr_2mix 1
2 1 . 1 . 1 1 9 9 TRP HE3 H . . A . 9 . HE3 rr_2mix 1
2 1 . 2 . 1 1 9 9 TRP HA H . . A . 9 . HA rr_2mix 1
3 1 . 1 . 1 1 9 9 TRP HE3 H . . A . 9 . HE3 rr_2mix 1
3 1 . 2 . 1 1 13 13 LYS HA H . . A . 13 . HA rr_2mix 1
4 1 . 1 . 1 1 9 9 TRP HE3 H . . A . 9 . HE3 rr_2mix 1
4 1 . 2 . 1 1 9 9 TRP HB3 H . . A . 9 . HB2 rr_2mix 1
5 1 . 1 . 1 1 9 9 TRP HE3 H . . A . 9 . HE3 rr_2mix 1
5 1 . 2 . 1 1 9 9 TRP HB2 H . . A . 9 . HB1 rr_2mix 1
6 1 . 1 . 1 1 9 9 TRP HZ2 H . . A . 9 . HZ2 rr_2mix 1
6 1 . 2 . 1 1 13 13 LYS HA H . . A . 13 . HA rr_2mix 1
7 1 . 1 . 1 1 9 9 TRP HD1 H . . A . 9 . HD1 rr_2mix 1
7 1 . 2 . 1 1 9 9 TRP HB2 H . . A . 9 . HB1 rr_2mix 1
8 1 . 1 . 1 1 9 9 TRP HD1 H . . A . 9 . HD1 rr_2mix 1
8 1 . 2 . 1 1 11 11 GLY HA3 H . . A . 11 . HA2 rr_2mix 1
9 2 . 1 . 1 1 8 8 TYR HD2 H . . A . 8 . HD2 rr_2mix 1
9 2 . 2 . 1 1 15 15 VAL MG1 H . . A . 15 . HG11 rr_2mix 1
9 3 . 1 . 1 1 8 8 TYR HD1 H . . A . 8 . HD1 rr_2mix 1
9 3 . 2 . 1 1 15 15 VAL MG1 H . . A . 15 . HG11 rr_2mix 1
10 1 . 1 . 1 1 9 9 TRP HH2 H . . A . 9 . HH2 rr_2mix 1
10 1 . 2 . 1 1 13 13 LYS HA H . . A . 13 . HA rr_2mix 1
11 1 . 1 . 1 1 9 9 TRP HZ3 H . . A . 9 . HZ3 rr_2mix 1
11 1 . 2 . 1 1 13 13 LYS HA H . . A . 13 . HA rr_2mix 1
12 2 . 1 . 1 1 8 8 TYR HD1 H . . A . 8 . HD1 rr_2mix 1
12 2 . 2 . 1 1 8 8 TYR HB2 H . . A . 8 . HB1 rr_2mix 1
12 3 . 1 . 1 1 8 8 TYR HD2 H . . A . 8 . HD2 rr_2mix 1
12 3 . 2 . 1 1 8 8 TYR HB2 H . . A . 8 . HB1 rr_2mix 1
13 2 . 1 . 1 1 8 8 TYR HD1 H . . A . 8 . HD1 rr_2mix 1
13 2 . 2 . 1 1 3 3 ILE HB H . . A . 3 . HB rr_2mix 1
13 3 . 1 . 1 1 8 8 TYR HD2 H . . A . 8 . HD2 rr_2mix 1
13 3 . 2 . 1 1 3 3 ILE HB H . . A . 3 . HB rr_2mix 1
14 2 . 1 . 1 1 8 8 TYR HD1 H . . A . 8 . HD1 rr_2mix 1
14 2 . 2 . 1 1 15 15 VAL HB H . . A . 15 . HB rr_2mix 1
14 3 . 1 . 1 1 8 8 TYR HD2 H . . A . 8 . HD2 rr_2mix 1
14 3 . 2 . 1 1 15 15 VAL HB H . . A . 15 . HB rr_2mix 1
15 2 . 1 . 1 1 8 8 TYR HD2 H . . A . 8 . HD2 rr_2mix 1
15 2 . 2 . 1 1 3 3 ILE MD H . . A . 3 . HD11 rr_2mix 1
15 3 . 1 . 1 1 8 8 TYR HD1 H . . A . 8 . HD1 rr_2mix 1
15 3 . 2 . 1 1 3 3 ILE MD H . . A . 3 . HD11 rr_2mix 1
16 2 . 1 . 1 1 8 8 TYR HD1 H . . A . 8 . HD1 rr_2mix 1
16 2 . 2 . 1 1 3 3 ILE HG13 H . . A . 3 . HG12 rr_2mix 1
16 3 . 1 . 1 1 8 8 TYR HD2 H . . A . 8 . HD2 rr_2mix 1
16 3 . 2 . 1 1 3 3 ILE HG13 H . . A . 3 . HG12 rr_2mix 1
17 2 . 1 . 1 1 8 8 TYR HD1 H . . A . 8 . HD1 rr_2mix 1
17 2 . 2 . 1 1 10 10 ASN HB3 H . . A . 10 . HB2 rr_2mix 1
17 3 . 1 . 1 1 8 8 TYR HD2 H . . A . 8 . HD2 rr_2mix 1
17 3 . 2 . 1 1 10 10 ASN HB3 H . . A . 10 . HB2 rr_2mix 1
18 2 . 1 . 1 1 8 8 TYR HE1 H . . A . 8 . HE1 rr_2mix 1
18 2 . 2 . 1 1 3 3 ILE HA H . . A . 3 . HA rr_2mix 1
18 3 . 1 . 1 1 8 8 TYR HE2 H . . A . 8 . HE2 rr_2mix 1
18 3 . 2 . 1 1 3 3 ILE HA H . . A . 3 . HA rr_2mix 1
19 2 . 1 . 1 1 8 8 TYR HE1 H . . A . 8 . HE1 rr_2mix 1
19 2 . 2 . 1 1 8 8 TYR HB2 H . . A . 8 . HB1 rr_2mix 1
19 3 . 1 . 1 1 8 8 TYR HE2 H . . A . 8 . HE2 rr_2mix 1
19 3 . 2 . 1 1 8 8 TYR HB2 H . . A . 8 . HB1 rr_2mix 1
20 2 . 1 . 1 1 8 8 TYR HE1 H . . A . 8 . HE1 rr_2mix 1
20 2 . 2 . 1 1 10 10 ASN HB3 H . . A . 10 . HB2 rr_2mix 1
20 3 . 1 . 1 1 8 8 TYR HE2 H . . A . 8 . HE2 rr_2mix 1
20 3 . 2 . 1 1 10 10 ASN HB3 H . . A . 10 . HB2 rr_2mix 1
21 2 . 1 . 1 1 8 8 TYR HE1 H . . A . 8 . HE1 rr_2mix 1
21 2 . 2 . 1 1 15 15 VAL HB H . . A . 15 . HB rr_2mix 1
21 3 . 1 . 1 1 8 8 TYR HE2 H . . A . 8 . HE2 rr_2mix 1
21 3 . 2 . 1 1 15 15 VAL HB H . . A . 15 . HB rr_2mix 1
22 2 . 1 . 1 1 8 8 TYR HE2 H . . A . 8 . HE2 rr_2mix 1
22 2 . 2 . 1 1 15 15 VAL MG1 H . . A . 15 . HG11 rr_2mix 1
22 3 . 1 . 1 1 8 8 TYR HE1 H . . A . 8 . HE1 rr_2mix 1
22 3 . 2 . 1 1 15 15 VAL MG1 H . . A . 15 . HG11 rr_2mix 1
23 2 . 1 . 1 1 8 8 TYR HE2 H . . A . 8 . HE2 rr_2mix 1
23 2 . 2 . 1 1 3 3 ILE MD H . . A . 3 . HD11 rr_2mix 1
23 3 . 1 . 1 1 8 8 TYR HE1 H . . A . 8 . HE1 rr_2mix 1
23 3 . 2 . 1 1 3 3 ILE MD H . . A . 3 . HD11 rr_2mix 1
24 1 . 1 . 1 1 7 7 CYS HA H . . A . 7 . HA rr_2mix 1
24 1 . 2 . 1 1 16 16 CYS HB3 H . . A . 16 . HB2 rr_2mix 1
25 1 . 1 . 1 1 16 16 CYS HA H . . A . 16 . HA rr_2mix 1
25 1 . 2 . 1 1 7 7 CYS HB2 H . . A . 7 . HB1 rr_2mix 1
26 1 . 1 . 1 1 16 16 CYS HA H . . A . 16 . HA rr_2mix 1
26 1 . 2 . 1 1 7 7 CYS HB3 H . . A . 7 . HB2 rr_2mix 1
27 1 . 1 . 1 1 18 18 GLN HA H . . A . 18 . HA rr_2mix 1
27 1 . 2 . 1 1 18 18 GLN HG3 H . . A . 18 . HG2 rr_2mix 1
28 1 . 1 . 1 1 18 18 GLN HA H . . A . 18 . HA rr_2mix 1
28 1 . 2 . 1 1 18 18 GLN HG2 H . . A . 18 . HG1 rr_2mix 1
29 1 . 1 . 1 1 18 18 GLN HG3 H . . A . 18 . HG2 rr_2mix 1
29 1 . 2 . 1 1 18 18 GLN HB2 H . . A . 18 . HB1 rr_2mix 1
30 1 . 1 . 1 1 18 18 GLN HB2 H . . A . 18 . HB1 rr_2mix 1
30 1 . 2 . 1 1 18 18 GLN HG2 H . . A . 18 . HG1 rr_2mix 1
31 1 . 1 . 1 1 9 9 TRP HA H . . A . 9 . HA rr_2mix 1
31 1 . 2 . 1 1 9 9 TRP HB2 H . . A . 9 . HB1 rr_2mix 1
32 1 . 1 . 1 1 10 10 ASN HA H . . A . 10 . HA rr_2mix 1
32 1 . 2 . 1 1 10 10 ASN HB3 H . . A . 10 . HB2 rr_2mix 1
33 1 . 1 . 1 1 14 14 ASP HA H . . A . 14 . HA rr_2mix 1
33 1 . 2 . 1 1 14 14 ASP HB3 H . . A . 14 . HB2 rr_2mix 1
34 1 . 1 . 1 1 10 10 ASN HA H . . A . 10 . HA rr_2mix 1
34 1 . 2 . 1 1 10 10 ASN HB2 H . . A . 10 . HB1 rr_2mix 1
35 1 . 1 . 1 1 14 14 ASP HA H . . A . 14 . HA rr_2mix 1
35 1 . 2 . 1 1 14 14 ASP HB2 H . . A . 14 . HB1 rr_2mix 1
36 1 . 1 . 1 1 9 9 TRP HA H . . A . 9 . HA rr_2mix 1
36 1 . 2 . 1 1 9 9 TRP HB3 H . . A . 9 . HB2 rr_2mix 1
37 1 . 1 . 1 1 14 14 ASP HB3 H . . A . 14 . HB2 rr_2mix 1
37 1 . 2 . 1 1 14 14 ASP HB2 H . . A . 14 . HB1 rr_2mix 1
38 1 . 1 . 1 1 4 4 CYS HA H . . A . 4 . HA rr_2mix 1
38 1 . 2 . 1 1 4 4 CYS HB2 H . . A . 4 . HB1 rr_2mix 1
39 1 . 1 . 1 1 4 4 CYS HA H . . A . 4 . HA rr_2mix 1
39 1 . 2 . 1 1 4 4 CYS HB3 H . . A . 4 . HB2 rr_2mix 1
40 1 . 1 . 1 1 4 4 CYS HB3 H . . A . 4 . HB2 rr_2mix 1
40 1 . 2 . 1 1 5 5 CYS HB2 H . . A . 5 . HB1 rr_2mix 1
41 1 . 1 . 1 1 17 17 SER HB2 H . . A . 17 . HB1 rr_2mix 1
41 1 . 2 . 1 1 17 17 SER HA H . . A . 17 . HA rr_2mix 1
42 1 . 1 . 1 1 17 17 SER HB3 H . . A . 17 . HB2 rr_2mix 1
42 1 . 2 . 1 1 17 17 SER HA H . . A . 17 . HA rr_2mix 1
43 1 . 1 . 1 1 17 17 SER HB2 H . . A . 17 . HB1 rr_2mix 1
43 1 . 2 . 1 1 17 17 SER HB3 H . . A . 17 . HB2 rr_2mix 1
44 1 . 1 . 1 1 6 6 GLY HA2 H . . A . 6 . HA1 rr_2mix 1
44 1 . 2 . 1 1 6 6 GLY HA3 H . . A . 6 . HA2 rr_2mix 1
45 1 . 1 . 1 1 20 20 CYS HA H . . A . 20 . HA rr_2mix 1
45 1 . 2 . 1 1 20 20 CYS HB2 H . . A . 20 . HB1 rr_2mix 1
46 1 . 1 . 1 1 19 19 SER HA H . . A . 19 . HA rr_2mix 1
46 1 . 2 . 1 1 19 19 SER HB2 H . . A . 19 . HB1 rr_2mix 1
47 1 . 1 . 1 1 19 19 SER HA H . . A . 19 . HA rr_2mix 1
47 1 . 2 . 1 1 19 19 SER HB3 H . . A . 19 . HB2 rr_2mix 1
48 1 . 1 . 1 1 19 19 SER HB2 H . . A . 19 . HB1 rr_2mix 1
48 1 . 2 . 1 1 19 19 SER HB3 H . . A . 19 . HB2 rr_2mix 1
49 1 . 1 . 1 1 12 12 SER HA H . . A . 12 . HA rr_2mix 1
49 1 . 2 . 1 1 12 12 SER HB3 H . . A . 12 . HB2 rr_2mix 1
50 1 . 1 . 1 1 19 19 SER HA H . . A . 19 . HA rr_2mix 1
50 1 . 2 . 1 1 2 2 ARG HG2 H . . A . 2 . HG1 rr_2mix 1
51 1 . 1 . 1 1 19 19 SER HA H . . A . 19 . HA rr_2mix 1
51 1 . 2 . 1 1 2 2 ARG HG3 H . . A . 2 . HG2 rr_2mix 1
52 1 . 1 . 1 1 13 13 LYS HA H . . A . 13 . HA rr_2mix 1
52 1 . 2 . 1 1 13 13 LYS HB2 H . . A . 13 . HB1 rr_2mix 1
53 1 . 1 . 1 1 13 13 LYS HA H . . A . 13 . HA rr_2mix 1
53 1 . 2 . 1 1 13 13 LYS HB3 H . . A . 13 . HB2 rr_2mix 1
54 1 . 1 . 1 1 19 19 SER HA H . . A . 19 . HA rr_2mix 1
54 1 . 2 . 1 1 2 2 ARG HD2 H . . A . 2 . HD1 rr_2mix 1
55 1 . 1 . 1 1 2 2 ARG HD2 H . . A . 2 . HD1 rr_2mix 1
55 1 . 2 . 1 1 2 2 ARG HB3 H . . A . 2 . HB2 rr_2mix 1
56 1 . 1 . 1 1 2 2 ARG HD2 H . . A . 2 . HD1 rr_2mix 1
56 1 . 2 . 1 1 2 2 ARG HG2 H . . A . 2 . HG1 rr_2mix 1
57 1 . 1 . 1 1 2 2 ARG HD2 H . . A . 2 . HD1 rr_2mix 1
57 1 . 2 . 1 1 2 2 ARG HG3 H . . A . 2 . HG2 rr_2mix 1
58 1 . 1 . 1 1 2 2 ARG HB3 H . . A . 2 . HB2 rr_2mix 1
58 1 . 2 . 1 1 2 2 ARG HG3 H . . A . 2 . HG2 rr_2mix 1
59 1 . 1 . 1 1 13 13 LYS HA H . . A . 13 . HA rr_2mix 1
59 1 . 2 . 1 1 13 13 LYS HD2 H . . A . 13 . HD1 rr_2mix 1
60 1 . 1 . 1 1 13 13 LYS HA H . . A . 13 . HA rr_2mix 1
60 1 . 2 . 1 1 13 13 LYS HG3 H . . A . 13 . HG2 rr_2mix 1
61 1 . 1 . 1 1 13 13 LYS HB2 H . . A . 13 . HB1 rr_2mix 1
61 1 . 2 . 1 1 13 13 LYS HD2 H . . A . 13 . HD1 rr_2mix 1
62 1 . 1 . 1 1 13 13 LYS HB2 H . . A . 13 . HB1 rr_2mix 1
62 1 . 2 . 1 1 13 13 LYS HG3 H . . A . 13 . HG2 rr_2mix 1
63 1 . 1 . 1 1 13 13 LYS HB3 H . . A . 13 . HB2 rr_2mix 1
63 1 . 2 . 1 1 13 13 LYS HD2 H . . A . 13 . HD1 rr_2mix 1
64 1 . 1 . 1 1 13 13 LYS HB3 H . . A . 13 . HB2 rr_2mix 1
64 1 . 2 . 1 1 13 13 LYS HG3 H . . A . 13 . HG2 rr_2mix 1
65 1 . 1 . 1 1 13 13 LYS HD2 H . . A . 13 . HD1 rr_2mix 1
65 1 . 2 . 1 1 13 13 LYS HG3 H . . A . 13 . HG2 rr_2mix 1
66 1 . 1 . 1 1 1 1 THR HA H . . A . 1 . HA rr_2mix 1
66 1 . 2 . 1 1 1 1 THR HG1 H . . A . 1 . HG1 rr_2mix 1
67 1 . 1 . 1 1 1 1 THR HA H . . A . 1 . HA rr_2mix 1
67 1 . 2 . 1 1 1 1 THR HB H . . A . 1 . HB rr_2mix 1
68 1 . 1 . 1 1 1 1 THR HB H . . A . 1 . HB rr_2mix 1
68 1 . 2 . 1 1 1 1 THR HG1 H . . A . 1 . HG1 rr_2mix 1
69 1 . 1 . 1 1 15 15 VAL HA H . . A . 15 . HA rr_2mix 1
69 1 . 2 . 1 1 15 15 VAL MG1 H . . A . 15 . HG11 rr_2mix 1
70 1 . 1 . 1 1 15 15 VAL HA H . . A . 15 . HA rr_2mix 1
70 1 . 2 . 1 1 15 15 VAL MG2 H . . A . 15 . HG21 rr_2mix 1
71 1 . 1 . 1 1 15 15 VAL HA H . . A . 15 . HA rr_2mix 1
71 1 . 2 . 1 1 15 15 VAL HB H . . A . 15 . HB rr_2mix 1
72 1 . 1 . 1 1 15 15 VAL HB H . . A . 15 . HB rr_2mix 1
72 1 . 2 . 1 1 15 15 VAL MG1 H . . A . 15 . HG11 rr_2mix 1
73 1 . 1 . 1 1 15 15 VAL HB H . . A . 15 . HB rr_2mix 1
73 1 . 2 . 1 1 15 15 VAL MG2 H . . A . 15 . HG21 rr_2mix 1
74 1 . 1 . 1 1 15 15 VAL MG1 H . . A . 15 . HG11 rr_2mix 1
74 1 . 2 . 1 1 15 15 VAL MG2 H . . A . 15 . HG21 rr_2mix 1
75 1 . 1 . 1 1 3 3 ILE MG H . . A . 3 . HG21 rr_2mix 1
75 1 . 2 . 1 1 3 3 ILE HA H . . A . 3 . HA rr_2mix 1
76 1 . 1 . 1 1 3 3 ILE HG13 H . . A . 3 . HG12 rr_2mix 1
76 1 . 2 . 1 1 3 3 ILE HA H . . A . 3 . HA rr_2mix 1
77 1 . 1 . 1 1 3 3 ILE HB H . . A . 3 . HB rr_2mix 1
77 1 . 2 . 1 1 3 3 ILE HA H . . A . 3 . HA rr_2mix 1
78 1 . 1 . 1 1 3 3 ILE HB H . . A . 3 . HB rr_2mix 1
78 1 . 2 . 1 1 3 3 ILE HG12 H . . A . 3 . HG11 rr_2mix 1
79 1 . 1 . 1 1 3 3 ILE HB H . . A . 3 . HB rr_2mix 1
79 1 . 2 . 1 1 3 3 ILE MD H . . A . 3 . HD11 rr_2mix 1
80 1 . 1 . 1 1 3 3 ILE HB H . . A . 3 . HB rr_2mix 1
80 1 . 2 . 1 1 3 3 ILE MG H . . A . 3 . HG21 rr_2mix 1
81 1 . 1 . 1 1 3 3 ILE HG12 H . . A . 3 . HG11 rr_2mix 1
81 1 . 2 . 1 1 3 3 ILE HG13 H . . A . 3 . HG12 rr_2mix 1
82 1 . 1 . 1 1 3 3 ILE MD H . . A . 3 . HD11 rr_2mix 1
82 1 . 2 . 1 1 3 3 ILE HG12 H . . A . 3 . HG11 rr_2mix 1
83 1 . 1 . 1 1 3 3 ILE MG H . . A . 3 . HG21 rr_2mix 1
83 1 . 2 . 1 1 3 3 ILE HG12 H . . A . 3 . HG11 rr_2mix 1
84 1 . 1 . 1 1 3 3 ILE HG13 H . . A . 3 . HG12 rr_2mix 1
84 1 . 2 . 1 1 3 3 ILE MD H . . A . 3 . HD11 rr_2mix 1
85 1 . 1 . 1 1 3 3 ILE HG13 H . . A . 3 . HG12 rr_2mix 1
85 1 . 2 . 1 1 3 3 ILE MG H . . A . 3 . HG21 rr_2mix 1
86 1 . 1 . 1 1 13 13 LYS HB2 H . . A . 13 . HB1 rr_2mix 1
86 1 . 2 . 1 1 13 13 LYS HB3 H . . A . 13 . HB2 rr_2mix 1
87 1 . 1 . 1 1 13 13 LYS HE2 H . . A . 13 . HE1 rr_2mix 1
87 1 . 2 . 1 1 13 13 LYS HG3 H . . A . 13 . HG2 rr_2mix 1
88 1 . 1 . 1 1 13 13 LYS HE2 H . . A . 13 . HE1 rr_2mix 1
88 1 . 2 . 1 1 13 13 LYS HD2 H . . A . 13 . HD1 rr_2mix 1
89 1 . 1 . 1 1 13 13 LYS HE2 H . . A . 13 . HE1 rr_2mix 1
89 1 . 2 . 1 1 13 13 LYS HB3 H . . A . 13 . HB2 rr_2mix 1
90 1 . 1 . 1 1 13 13 LYS HE2 H . . A . 13 . HE1 rr_2mix 1
90 1 . 2 . 1 1 15 15 VAL MG2 H . . A . 15 . HG21 rr_2mix 1
91 1 . 1 . 1 1 10 10 ASN HB3 H . . A . 10 . HB2 rr_2mix 1
91 1 . 2 . 1 1 15 15 VAL MG2 H . . A . 15 . HG21 rr_2mix 1
92 1 . 1 . 1 1 10 10 ASN HB3 H . . A . 10 . HB2 rr_2mix 1
92 1 . 2 . 1 1 15 15 VAL MG1 H . . A . 15 . HG11 rr_2mix 1
93 1 . 1 . 1 1 15 15 VAL H H . . A . 15 . HN rr_2mix 1
93 1 . 2 . 1 1 15 15 VAL HB H . . A . 15 . HB rr_2mix 1
94 1 . 1 . 1 1 15 15 VAL H H . . A . 15 . HN rr_2mix 1
94 1 . 2 . 1 1 15 15 VAL MG1 H . . A . 15 . HG11 rr_2mix 1
95 1 . 1 . 1 1 15 15 VAL H H . . A . 15 . HN rr_2mix 1
95 1 . 2 . 1 1 15 15 VAL MG2 H . . A . 15 . HG21 rr_2mix 1
96 1 . 1 . 1 1 15 15 VAL H H . . A . 15 . HN rr_2mix 1
96 1 . 2 . 1 1 14 14 ASP HB3 H . . A . 14 . HB2 rr_2mix 1
97 1 . 1 . 1 1 15 15 VAL H H . . A . 15 . HN rr_2mix 1
97 1 . 2 . 1 1 14 14 ASP HA H . . A . 14 . HA rr_2mix 1
98 1 . 1 . 1 1 9 9 TRP HE1 H . . A . 9 . HE1 rr_2mix 1
98 1 . 2 . 1 1 9 9 TRP HD1 H . . A . 9 . HD1 rr_2mix 1
99 1 . 1 . 1 1 9 9 TRP HZ2 H . . A . 9 . HZ2 rr_2mix 1
99 1 . 2 . 1 1 9 9 TRP HE1 H . . A . 9 . HE1 rr_2mix 1
100 1 . 1 . 1 1 9 9 TRP HE1 H . . A . 9 . HE1 rr_2mix 1
100 1 . 2 . 1 1 11 11 GLY HA2 H . . A . 11 . HA1 rr_2mix 1
101 1 . 1 . 1 1 9 9 TRP HE1 H . . A . 9 . HE1 rr_2mix 1
101 1 . 2 . 1 1 11 11 GLY HA3 H . . A . 11 . HA2 rr_2mix 1
102 1 . 1 . 1 1 9 9 TRP HE1 H . . A . 9 . HE1 rr_2mix 1
102 1 . 2 . 1 1 11 11 GLY H H . . A . 11 . HN rr_2mix 1
103 1 . 1 . 1 1 5 5 CYS H H . . A . 5 . HN rr_2mix 1
103 1 . 2 . 1 1 19 19 SER H H . . A . 19 . HN rr_2mix 1
104 1 . 1 . 1 1 15 15 VAL H H . . A . 15 . HN rr_2mix 1
104 1 . 2 . 1 1 8 8 TYR H H . . A . 8 . HN rr_2mix 1
105 1 . 1 . 1 1 16 16 CYS H H . . A . 16 . HN rr_2mix 1
105 1 . 2 . 1 1 15 15 VAL H H . . A . 15 . HN rr_2mix 1
106 1 . 1 . 1 1 6 6 GLY H H . . A . 6 . HN rr_2mix 1
106 1 . 2 . 1 1 17 17 SER H H . . A . 17 . HN rr_2mix 1
107 1 . 1 . 1 1 5 5 CYS H H . . A . 5 . HN rr_2mix 1
107 1 . 2 . 1 1 20 20 CYS H H . . A . 20 . HN rr_2mix 1
108 1 . 1 . 1 1 3 3 ILE H H . . A . 3 . HN rr_2mix 1
108 1 . 2 . 1 1 4 4 CYS H H . . A . 4 . HN rr_2mix 1
109 2 . 1 . 1 1 8 8 TYR H H . . A . 8 . HN rr_2mix 1
109 2 . 2 . 1 1 8 8 TYR HD1 H . . A . 8 . HD1 rr_2mix 1
109 3 . 1 . 1 1 8 8 TYR H H . . A . 8 . HN rr_2mix 1
109 3 . 2 . 1 1 8 8 TYR HD2 H . . A . 8 . HD2 rr_2mix 1
110 2 . 1 . 1 1 8 8 TYR HD1 H . . A . 8 . HD1 rr_2mix 1
110 2 . 2 . 1 1 9 9 TRP H H . . A . 9 . HN rr_2mix 1
110 3 . 1 . 1 1 8 8 TYR HD2 H . . A . 8 . HD2 rr_2mix 1
110 3 . 2 . 1 1 9 9 TRP H H . . A . 9 . HN rr_2mix 1
111 1 . 1 . 1 1 13 13 LYS H H . . A . 13 . HN rr_2mix 1
111 1 . 2 . 1 1 12 12 SER H H . . A . 12 . HN rr_2mix 1
112 1 . 1 . 1 1 17 17 SER H H . . A . 17 . HN rr_2mix 1
112 1 . 2 . 1 1 7 7 CYS HA H . . A . 7 . HA rr_2mix 1
113 1 . 1 . 1 1 8 8 TYR H H . . A . 8 . HN rr_2mix 1
113 1 . 2 . 1 1 7 7 CYS HA H . . A . 7 . HA rr_2mix 1
114 1 . 1 . 1 1 17 17 SER H H . . A . 17 . HN rr_2mix 1
114 1 . 2 . 1 1 16 16 CYS HA H . . A . 16 . HA rr_2mix 1
115 1 . 1 . 1 1 8 8 TYR H H . . A . 8 . HN rr_2mix 1
115 1 . 2 . 1 1 16 16 CYS HA H . . A . 16 . HA rr_2mix 1
116 1 . 1 . 1 1 7 7 CYS H H . . A . 7 . HN rr_2mix 1
116 1 . 2 . 1 1 6 6 GLY HA2 H . . A . 6 . HA1 rr_2mix 1
117 1 . 1 . 1 1 7 7 CYS H H . . A . 7 . HN rr_2mix 1
117 1 . 2 . 1 1 6 6 GLY HA3 H . . A . 6 . HA2 rr_2mix 1
118 1 . 1 . 1 1 4 4 CYS H H . . A . 4 . HN rr_2mix 1
118 1 . 2 . 1 1 3 3 ILE HA H . . A . 3 . HA rr_2mix 1
119 1 . 1 . 1 1 10 10 ASN H H . . A . 10 . HN rr_2mix 1
119 1 . 2 . 1 1 9 9 TRP HA H . . A . 9 . HA rr_2mix 1
120 1 . 1 . 1 1 12 12 SER H H . . A . 12 . HN rr_2mix 1
120 1 . 2 . 1 1 11 11 GLY HA2 H . . A . 11 . HA1 rr_2mix 1
121 1 . 1 . 1 1 16 16 CYS H H . . A . 16 . HN rr_2mix 1
121 1 . 2 . 1 1 15 15 VAL HA H . . A . 15 . HA rr_2mix 1
122 1 . 1 . 1 1 18 18 GLN H H . . A . 18 . HN rr_2mix 1
122 1 . 2 . 1 1 17 17 SER HA H . . A . 17 . HA rr_2mix 1
123 1 . 1 . 1 1 19 19 SER H H . . A . 19 . HN rr_2mix 1
123 1 . 2 . 1 1 18 18 GLN HA H . . A . 18 . HA rr_2mix 1
124 1 . 1 . 1 1 20 20 CYS H H . . A . 20 . HN rr_2mix 1
124 1 . 2 . 1 1 19 19 SER HA H . . A . 19 . HA rr_2mix 1
125 1 . 1 . 1 1 16 16 CYS H H . . A . 16 . HN rr_2mix 1
125 1 . 2 . 1 1 15 15 VAL MG2 H . . A . 15 . HG21 rr_2mix 1
126 1 . 1 . 1 1 16 16 CYS H H . . A . 16 . HN rr_2mix 1
126 1 . 2 . 1 1 15 15 VAL MG1 H . . A . 15 . HG11 rr_2mix 1
127 1 . 1 . 1 1 16 16 CYS H H . . A . 16 . HN rr_2mix 1
127 1 . 2 . 1 1 16 16 CYS HB3 H . . A . 16 . HB2 rr_2mix 1
128 1 . 1 . 1 1 16 16 CYS H H . . A . 16 . HN rr_2mix 1
128 1 . 2 . 1 1 7 7 CYS HA H . . A . 7 . HA rr_2mix 1
129 1 . 1 . 1 1 16 16 CYS H H . . A . 16 . HN rr_2mix 1
129 1 . 2 . 1 1 16 16 CYS HA H . . A . 16 . HA rr_2mix 1
130 1 . 1 . 1 1 16 16 CYS H H . . A . 16 . HN rr_2mix 1
130 1 . 2 . 1 1 15 15 VAL HB H . . A . 15 . HB rr_2mix 1
131 1 . 1 . 1 1 15 15 VAL H H . . A . 15 . HN rr_2mix 1
131 1 . 2 . 1 1 15 15 VAL HA H . . A . 15 . HA rr_2mix 1
132 1 . 1 . 1 1 18 18 GLN H H . . A . 18 . HN rr_2mix 1
132 1 . 2 . 1 1 18 18 GLN HB2 H . . A . 18 . HB1 rr_2mix 1
133 1 . 1 . 1 1 18 18 GLN H H . . A . 18 . HN rr_2mix 1
133 1 . 2 . 1 1 18 18 GLN HG3 H . . A . 18 . HG2 rr_2mix 1
134 1 . 1 . 1 1 18 18 GLN H H . . A . 18 . HN rr_2mix 1
134 1 . 2 . 1 1 18 18 GLN HG2 H . . A . 18 . HG1 rr_2mix 1
135 1 . 1 . 1 1 18 18 GLN H H . . A . 18 . HN rr_2mix 1
135 1 . 2 . 1 1 18 18 GLN HA H . . A . 18 . HA rr_2mix 1
136 1 . 1 . 1 1 18 18 GLN HA H . . A . 18 . HA rr_2mix 1
136 1 . 2 . 1 1 18 18 GLN HB2 H . . A . 18 . HB1 rr_2mix 1
137 1 . 1 . 1 1 18 18 GLN HG2 H . . A . 18 . HG1 rr_2mix 1
137 1 . 2 . 1 1 18 18 GLN HG3 H . . A . 18 . HG2 rr_2mix 1
138 1 . 1 . 1 1 16 16 CYS H H . . A . 16 . HN rr_2mix 1
138 1 . 2 . 1 1 13 13 LYS HB3 H . . A . 13 . HB2 rr_2mix 1
139 1 . 1 . 1 1 9 9 TRP H H . . A . 9 . HN rr_2mix 1
139 1 . 2 . 1 1 3 3 ILE HG12 H . . A . 3 . HG11 rr_2mix 1
140 1 . 1 . 1 1 3 3 ILE H H . . A . 3 . HN rr_2mix 1
140 1 . 2 . 1 1 2 2 ARG HA H . . A . 2 . HA rr_2mix 1
141 1 . 1 . 1 1 9 9 TRP H H . . A . 9 . HN rr_2mix 1
141 1 . 2 . 1 1 9 9 TRP HB3 H . . A . 9 . HB2 rr_2mix 1
142 1 . 1 . 1 1 9 9 TRP H H . . A . 9 . HN rr_2mix 1
142 1 . 2 . 1 1 9 9 TRP HB2 H . . A . 9 . HB1 rr_2mix 1
143 1 . 1 . 1 1 9 9 TRP H H . . A . 9 . HN rr_2mix 1
143 1 . 2 . 1 1 8 8 TYR HB2 H . . A . 8 . HB1 rr_2mix 1
144 1 . 1 . 1 1 9 9 TRP HB2 H . . A . 9 . HB1 rr_2mix 1
144 1 . 2 . 1 1 9 9 TRP HB3 H . . A . 9 . HB2 rr_2mix 1
145 1 . 1 . 1 1 9 9 TRP H H . . A . 9 . HN rr_2mix 1
145 1 . 2 . 1 1 9 9 TRP HD1 H . . A . 9 . HD1 rr_2mix 1
146 1 . 1 . 1 1 5 5 CYS H H . . A . 5 . HN rr_2mix 1
146 1 . 2 . 1 1 5 5 CYS HB2 H . . A . 5 . HB1 rr_2mix 1
147 1 . 1 . 1 1 5 5 CYS H H . . A . 5 . HN rr_2mix 1
147 1 . 2 . 1 1 5 5 CYS HA H . . A . 5 . HA rr_2mix 1
148 1 . 1 . 1 1 5 5 CYS H H . . A . 5 . HN rr_2mix 1
148 1 . 2 . 1 1 20 20 CYS HA H . . A . 20 . HA rr_2mix 1
149 1 . 1 . 1 1 5 5 CYS H H . . A . 5 . HN rr_2mix 1
149 1 . 2 . 1 1 5 5 CYS HB3 H . . A . 5 . HB2 rr_2mix 1
150 1 . 1 . 1 1 5 5 CYS H H . . A . 5 . HN rr_2mix 1
150 1 . 2 . 1 1 19 19 SER HB2 H . . A . 19 . HB1 rr_2mix 1
151 1 . 1 . 1 1 5 5 CYS H H . . A . 5 . HN rr_2mix 1
151 1 . 2 . 1 1 4 4 CYS HB3 H . . A . 4 . HB2 rr_2mix 1
152 1 . 1 . 1 1 5 5 CYS H H . . A . 5 . HN rr_2mix 1
152 1 . 2 . 1 1 4 4 CYS HB2 H . . A . 4 . HB1 rr_2mix 1
153 1 . 1 . 1 1 5 5 CYS H H . . A . 5 . HN rr_2mix 1
153 1 . 2 . 1 1 18 18 GLN HA H . . A . 18 . HA rr_2mix 1
154 1 . 1 . 1 1 20 20 CYS H H . . A . 20 . HN rr_2mix 1
154 1 . 2 . 1 1 5 5 CYS HA H . . A . 5 . HA rr_2mix 1
155 1 . 1 . 1 1 5 5 CYS HA H . . A . 5 . HA rr_2mix 1
155 1 . 2 . 1 1 5 5 CYS HB3 H . . A . 5 . HB2 rr_2mix 1
156 1 . 1 . 1 1 5 5 CYS HA H . . A . 5 . HA rr_2mix 1
156 1 . 2 . 1 1 5 5 CYS HB2 H . . A . 5 . HB1 rr_2mix 1
157 1 . 1 . 1 1 5 5 CYS HB3 H . . A . 5 . HB2 rr_2mix 1
157 1 . 2 . 1 1 5 5 CYS HB2 H . . A . 5 . HB1 rr_2mix 1
158 1 . 1 . 1 1 17 17 SER H H . . A . 17 . HN rr_2mix 1
158 1 . 2 . 1 1 17 17 SER HA H . . A . 17 . HA rr_2mix 1
159 1 . 1 . 1 1 17 17 SER H H . . A . 17 . HN rr_2mix 1
159 1 . 2 . 1 1 17 17 SER HB2 H . . A . 17 . HB1 rr_2mix 1
160 1 . 1 . 1 1 17 17 SER H H . . A . 17 . HN rr_2mix 1
160 1 . 2 . 1 1 16 16 CYS HB3 H . . A . 16 . HB2 rr_2mix 1
161 1 . 1 . 1 1 17 17 SER H H . . A . 17 . HN rr_2mix 1
161 1 . 2 . 1 1 17 17 SER HB3 H . . A . 17 . HB2 rr_2mix 1
162 1 . 1 . 1 1 8 8 TYR H H . . A . 8 . HN rr_2mix 1
162 1 . 2 . 1 1 8 8 TYR HB2 H . . A . 8 . HB1 rr_2mix 1
163 2 . 1 . 1 1 8 8 TYR H H . . A . 8 . HN rr_2mix 1
163 2 . 2 . 1 1 8 8 TYR HE1 H . . A . 8 . HE1 rr_2mix 1
163 3 . 1 . 1 1 8 8 TYR H H . . A . 8 . HN rr_2mix 1
163 3 . 2 . 1 1 8 8 TYR HE2 H . . A . 8 . HE2 rr_2mix 1
164 1 . 1 . 1 1 8 8 TYR H H . . A . 8 . HN rr_2mix 1
164 1 . 2 . 1 1 7 7 CYS HB2 H . . A . 7 . HB1 rr_2mix 1
165 1 . 1 . 1 1 6 6 GLY H H . . A . 6 . HN rr_2mix 1
165 1 . 2 . 1 1 6 6 GLY HA3 H . . A . 6 . HA2 rr_2mix 1
166 1 . 1 . 1 1 6 6 GLY H H . . A . 6 . HN rr_2mix 1
166 1 . 2 . 1 1 6 6 GLY HA2 H . . A . 6 . HA1 rr_2mix 1
167 1 . 1 . 1 1 6 6 GLY H H . . A . 6 . HN rr_2mix 1
167 1 . 2 . 1 1 18 18 GLN HA H . . A . 18 . HA rr_2mix 1
168 1 . 1 . 1 1 6 6 GLY H H . . A . 6 . HN rr_2mix 1
168 1 . 2 . 1 1 16 16 CYS HA H . . A . 16 . HA rr_2mix 1
169 1 . 1 . 1 1 14 14 ASP H H . . A . 14 . HN rr_2mix 1
169 1 . 2 . 1 1 14 14 ASP HB2 H . . A . 14 . HB1 rr_2mix 1
170 1 . 1 . 1 1 14 14 ASP H H . . A . 14 . HN rr_2mix 1
170 1 . 2 . 1 1 14 14 ASP HB3 H . . A . 14 . HB2 rr_2mix 1
171 1 . 1 . 1 1 14 14 ASP H H . . A . 14 . HN rr_2mix 1
171 1 . 2 . 1 1 9 9 TRP HE3 H . . A . 9 . HE3 rr_2mix 1
172 1 . 1 . 1 1 14 14 ASP H H . . A . 14 . HN rr_2mix 1
172 1 . 2 . 1 1 9 9 TRP HZ3 H . . A . 9 . HZ3 rr_2mix 1
173 1 . 1 . 1 1 14 14 ASP H H . . A . 14 . HN rr_2mix 1
173 1 . 2 . 1 1 13 13 LYS HA H . . A . 13 . HA rr_2mix 1
174 1 . 1 . 1 1 14 14 ASP H H . . A . 14 . HN rr_2mix 1
174 1 . 2 . 1 1 13 13 LYS HB2 H . . A . 13 . HB1 rr_2mix 1
175 1 . 1 . 1 1 14 14 ASP H H . . A . 14 . HN rr_2mix 1
175 1 . 2 . 1 1 13 13 LYS HB3 H . . A . 13 . HB2 rr_2mix 1
176 1 . 1 . 1 1 7 7 CYS H H . . A . 7 . HN rr_2mix 1
176 1 . 2 . 1 1 7 7 CYS HA H . . A . 7 . HA rr_2mix 1
177 1 . 1 . 1 1 7 7 CYS HB3 H . . A . 7 . HB2 rr_2mix 1
177 1 . 2 . 1 1 7 7 CYS H H . . A . 7 . HN rr_2mix 1
178 1 . 1 . 1 1 7 7 CYS HB2 H . . A . 7 . HB1 rr_2mix 1
178 1 . 2 . 1 1 7 7 CYS H H . . A . 7 . HN rr_2mix 1
179 1 . 1 . 1 1 7 7 CYS HB3 H . . A . 7 . HB2 rr_2mix 1
179 1 . 2 . 1 1 7 7 CYS HB2 H . . A . 7 . HB1 rr_2mix 1
180 1 . 1 . 1 1 19 19 SER H H . . A . 19 . HN rr_2mix 1
180 1 . 2 . 1 1 19 19 SER HA H . . A . 19 . HA rr_2mix 1
181 1 . 1 . 1 1 19 19 SER H H . . A . 19 . HN rr_2mix 1
181 1 . 2 . 1 1 19 19 SER HB2 H . . A . 19 . HB1 rr_2mix 1
182 1 . 1 . 1 1 19 19 SER H H . . A . 19 . HN rr_2mix 1
182 1 . 2 . 1 1 19 19 SER HB3 H . . A . 19 . HB2 rr_2mix 1
183 1 . 1 . 1 1 3 3 ILE H H . . A . 3 . HN rr_2mix 1
183 1 . 2 . 1 1 3 3 ILE HB H . . A . 3 . HB rr_2mix 1
184 1 . 1 . 1 1 3 3 ILE H H . . A . 3 . HN rr_2mix 1
184 1 . 2 . 1 1 3 3 ILE HG12 H . . A . 3 . HG11 rr_2mix 1
185 1 . 1 . 1 1 3 3 ILE H H . . A . 3 . HN rr_2mix 1
185 1 . 2 . 1 1 3 3 ILE HG13 H . . A . 3 . HG12 rr_2mix 1
186 1 . 1 . 1 1 3 3 ILE H H . . A . 3 . HN rr_2mix 1
186 1 . 2 . 1 1 3 3 ILE MD H . . A . 3 . HD11 rr_2mix 1
187 1 . 1 . 1 1 3 3 ILE H H . . A . 3 . HN rr_2mix 1
187 1 . 2 . 1 1 3 3 ILE HA H . . A . 3 . HA rr_2mix 1
188 1 . 1 . 1 1 3 3 ILE MG H . . A . 3 . HG21 rr_2mix 1
188 1 . 2 . 1 1 3 3 ILE H H . . A . 3 . HN rr_2mix 1
189 1 . 1 . 1 1 3 3 ILE HG12 H . . A . 3 . HG11 rr_2mix 1
189 1 . 2 . 1 1 3 3 ILE HA H . . A . 3 . HA rr_2mix 1
190 1 . 1 . 1 1 3 3 ILE HB H . . A . 3 . HB rr_2mix 1
190 1 . 2 . 1 1 3 3 ILE HG13 H . . A . 3 . HG12 rr_2mix 1
191 1 . 1 . 1 1 3 3 ILE MG H . . A . 3 . HG21 rr_2mix 1
191 1 . 2 . 1 1 3 3 ILE MD H . . A . 3 . HD11 rr_2mix 1
192 1 . 1 . 1 1 10 10 ASN H H . . A . 10 . HN rr_2mix 1
192 1 . 2 . 1 1 10 10 ASN HB2 H . . A . 10 . HB1 rr_2mix 1
193 1 . 1 . 1 1 10 10 ASN HB2 H . . A . 10 . HB1 rr_2mix 1
193 1 . 2 . 1 1 10 10 ASN HB3 H . . A . 10 . HB2 rr_2mix 1
194 1 . 1 . 1 1 10 10 ASN H H . . A . 10 . HN rr_2mix 1
194 1 . 2 . 1 1 10 10 ASN HB3 H . . A . 10 . HB2 rr_2mix 1
195 1 . 1 . 1 1 10 10 ASN H H . . A . 10 . HN rr_2mix 1
195 1 . 2 . 1 1 3 3 ILE MD H . . A . 3 . HD11 rr_2mix 1
196 1 . 1 . 1 1 12 12 SER H H . . A . 12 . HN rr_2mix 1
196 1 . 2 . 1 1 12 12 SER HA H . . A . 12 . HA rr_2mix 1
197 1 . 1 . 1 1 12 12 SER H H . . A . 12 . HN rr_2mix 1
197 1 . 2 . 1 1 12 12 SER HB3 H . . A . 12 . HB2 rr_2mix 1
198 1 . 1 . 1 1 12 12 SER H H . . A . 12 . HN rr_2mix 1
198 1 . 2 . 1 1 11 11 GLY HA3 H . . A . 11 . HA2 rr_2mix 1
199 1 . 1 . 1 1 4 4 CYS H H . . A . 4 . HN rr_2mix 1
199 1 . 2 . 1 1 4 4 CYS HB2 H . . A . 4 . HB1 rr_2mix 1
200 1 . 1 . 1 1 4 4 CYS H H . . A . 4 . HN rr_2mix 1
200 1 . 2 . 1 1 4 4 CYS HB3 H . . A . 4 . HB2 rr_2mix 1
201 1 . 1 . 1 1 4 4 CYS H H . . A . 4 . HN rr_2mix 1
201 1 . 2 . 1 1 2 2 ARG HG2 H . . A . 2 . HG1 rr_2mix 1
202 1 . 1 . 1 1 4 4 CYS H H . . A . 4 . HN rr_2mix 1
202 1 . 2 . 1 1 3 3 ILE HG13 H . . A . 3 . HG12 rr_2mix 1
203 1 . 1 . 1 1 4 4 CYS H H . . A . 4 . HN rr_2mix 1
203 1 . 2 . 1 1 3 3 ILE HG12 H . . A . 3 . HG11 rr_2mix 1
204 1 . 1 . 1 1 4 4 CYS H H . . A . 4 . HN rr_2mix 1
204 1 . 2 . 1 1 3 3 ILE MG H . . A . 3 . HG21 rr_2mix 1
205 1 . 1 . 1 1 4 4 CYS HB3 H . . A . 4 . HB2 rr_2mix 1
205 1 . 2 . 1 1 4 4 CYS HB2 H . . A . 4 . HB1 rr_2mix 1
206 1 . 1 . 1 1 2 2 ARG H H . . A . 2 . HN rr_2mix 1
206 1 . 2 . 1 1 2 2 ARG HB3 H . . A . 2 . HB2 rr_2mix 1
207 1 . 1 . 1 1 2 2 ARG H H . . A . 2 . HN rr_2mix 1
207 1 . 2 . 1 1 2 2 ARG HG3 H . . A . 2 . HG2 rr_2mix 1
208 1 . 1 . 1 1 2 2 ARG H H . . A . 2 . HN rr_2mix 1
208 1 . 2 . 1 1 2 2 ARG HD2 H . . A . 2 . HD1 rr_2mix 1
209 1 . 1 . 1 1 2 2 ARG H H . . A . 2 . HN rr_2mix 1
209 1 . 2 . 1 1 2 2 ARG HG2 H . . A . 2 . HG1 rr_2mix 1
210 1 . 1 . 1 1 2 2 ARG HA H . . A . 2 . HA rr_2mix 1
210 1 . 2 . 1 1 2 2 ARG HB3 H . . A . 2 . HB2 rr_2mix 1
211 1 . 1 . 1 1 2 2 ARG HA H . . A . 2 . HA rr_2mix 1
211 1 . 2 . 1 1 2 2 ARG HG2 H . . A . 2 . HG1 rr_2mix 1
212 1 . 1 . 1 1 2 2 ARG HA H . . A . 2 . HA rr_2mix 1
212 1 . 2 . 1 1 2 2 ARG HG3 H . . A . 2 . HG2 rr_2mix 1
213 1 . 1 . 1 1 2 2 ARG HD2 H . . A . 2 . HD1 rr_2mix 1
213 1 . 2 . 1 1 2 2 ARG HA H . . A . 2 . HA rr_2mix 1
214 1 . 1 . 1 1 2 2 ARG HB3 H . . A . 2 . HB2 rr_2mix 1
214 1 . 2 . 1 1 2 2 ARG HG2 H . . A . 2 . HG1 rr_2mix 1
215 1 . 1 . 1 1 2 2 ARG HG2 H . . A . 2 . HG1 rr_2mix 1
215 1 . 2 . 1 1 2 2 ARG HG3 H . . A . 2 . HG2 rr_2mix 1
216 1 . 1 . 1 1 7 7 CYS HA H . . A . 7 . HA rr_2mix 1
216 1 . 2 . 1 1 7 7 CYS HB3 H . . A . 7 . HB2 rr_2mix 1
217 1 . 1 . 1 1 7 7 CYS HA H . . A . 7 . HA rr_2mix 1
217 1 . 2 . 1 1 7 7 CYS HB2 H . . A . 7 . HB1 rr_2mix 1
218 1 . 1 . 1 1 16 16 CYS HA H . . A . 16 . HA rr_2mix 1
218 1 . 2 . 1 1 16 16 CYS HB3 H . . A . 16 . HB2 rr_2mix 1
219 1 . 1 . 1 1 11 11 GLY HA2 H . . A . 11 . HA1 rr_2mix 1
219 1 . 2 . 1 1 11 11 GLY H H . . A . 11 . HN rr_2mix 1
220 1 . 1 . 1 1 20 20 CYS HB3 H . . A . 20 . HB2 rr_2mix 1
220 1 . 2 . 1 1 20 20 CYS HA H . . A . 20 . HA rr_2mix 1
221 1 . 1 . 1 1 20 20 CYS HB3 H . . A . 20 . HB2 rr_2mix 1
221 1 . 2 . 1 1 20 20 CYS HB2 H . . A . 20 . HB1 rr_2mix 1
222 1 . 1 . 1 1 20 20 CYS H H . . A . 20 . HN rr_2mix 1
222 1 . 2 . 1 1 20 20 CYS HB3 H . . A . 20 . HB2 rr_2mix 1
223 1 . 1 . 1 1 20 20 CYS H H . . A . 20 . HN rr_2mix 1
223 1 . 2 . 1 1 20 20 CYS HB2 H . . A . 20 . HB1 rr_2mix 1
224 1 . 1 . 1 1 20 20 CYS H H . . A . 20 . HN rr_2mix 1
224 1 . 2 . 1 1 18 18 GLN HA H . . A . 18 . HA rr_2mix 1
225 1 . 1 . 1 1 20 20 CYS H H . . A . 20 . HN rr_2mix 1
225 1 . 2 . 1 1 20 20 CYS HA H . . A . 20 . HA rr_2mix 1
226 1 . 1 . 1 1 11 11 GLY HA3 H . . A . 11 . HA2 rr_2mix 1
226 1 . 2 . 1 1 11 11 GLY HA2 H . . A . 11 . HA1 rr_2mix 1
227 1 . 1 . 1 1 9 9 TRP HE3 H . . A . 9 . HE3 rr_2mix 1
227 1 . 2 . 1 1 9 9 TRP HZ3 H . . A . 9 . HZ3 rr_2mix 1
228 1 . 1 . 1 1 9 9 TRP HH2 H . . A . 9 . HH2 rr_2mix 1
228 1 . 2 . 1 1 9 9 TRP HE3 H . . A . 9 . HE3 rr_2mix 1
229 1 . 1 . 1 1 9 9 TRP HZ3 H . . A . 9 . HZ3 rr_2mix 1
229 1 . 2 . 1 1 9 9 TRP HZ2 H . . A . 9 . HZ2 rr_2mix 1
230 1 . 1 . 1 1 9 9 TRP HZ2 H . . A . 9 . HZ2 rr_2mix 1
230 1 . 2 . 1 1 9 9 TRP HH2 H . . A . 9 . HH2 rr_2mix 1
231 1 . 1 . 1 1 9 9 TRP HH2 H . . A . 9 . HH2 rr_2mix 1
231 1 . 2 . 1 1 9 9 TRP HZ3 H . . A . 9 . HZ3 rr_2mix 1
232 2 . 1 . 1 1 8 8 TYR HD1 H . . A . 8 . HD1 rr_2mix 1
232 2 . 2 . 1 1 8 8 TYR HE1 H . . A . 8 . HE1 rr_2mix 1
232 3 . 1 . 1 1 8 8 TYR HD1 H . . A . 8 . HD1 rr_2mix 1
232 3 . 2 . 1 1 8 8 TYR HE2 H . . A . 8 . HE2 rr_2mix 1
232 4 . 1 . 1 1 8 8 TYR HD2 H . . A . 8 . HD2 rr_2mix 1
232 4 . 2 . 1 1 8 8 TYR HE1 H . . A . 8 . HE1 rr_2mix 1
232 5 . 1 . 1 1 8 8 TYR HD2 H . . A . 8 . HD2 rr_2mix 1
232 5 . 2 . 1 1 8 8 TYR HE2 H . . A . 8 . HE2 rr_2mix 1
233 1 . 1 . 1 1 9 9 TRP HZ2 H . . A . 9 . HZ2 rr_2mix 1
233 1 . 2 . 1 1 12 12 SER HA H . . A . 12 . HA rr_2mix 1
234 1 . 1 . 1 1 9 9 TRP HD1 H . . A . 9 . HD1 rr_2mix 1
234 1 . 2 . 1 1 11 11 GLY H H . . A . 11 . HN rr_2mix 1
235 1 . 1 . 1 1 9 9 TRP HD1 H . . A . 9 . HD1 rr_2mix 1
235 1 . 2 . 1 1 11 11 GLY HA2 H . . A . 11 . HA1 rr_2mix 1
236 1 . 1 . 1 1 9 9 TRP HD1 H . . A . 9 . HD1 rr_2mix 1
236 1 . 2 . 1 1 9 9 TRP HB3 H . . A . 9 . HB2 rr_2mix 1
237 2 . 1 . 1 1 8 8 TYR HD2 H . . A . 8 . HD2 rr_2mix 1
237 2 . 2 . 1 1 3 3 ILE MG H . . A . 3 . HG21 rr_2mix 1
237 3 . 1 . 1 1 8 8 TYR HD1 H . . A . 8 . HD1 rr_2mix 1
237 3 . 2 . 1 1 3 3 ILE MG H . . A . 3 . HG21 rr_2mix 1
238 2 . 1 . 1 1 8 8 TYR HD1 H . . A . 8 . HD1 rr_2mix 1
238 2 . 2 . 1 1 3 3 ILE HA H . . A . 3 . HA rr_2mix 1
238 3 . 1 . 1 1 8 8 TYR HD2 H . . A . 8 . HD2 rr_2mix 1
238 3 . 2 . 1 1 3 3 ILE HA H . . A . 3 . HA rr_2mix 1
239 2 . 1 . 1 1 8 8 TYR HD1 H . . A . 8 . HD1 rr_2mix 1
239 2 . 2 . 1 1 3 3 ILE HG12 H . . A . 3 . HG11 rr_2mix 1
239 3 . 1 . 1 1 8 8 TYR HD2 H . . A . 8 . HD2 rr_2mix 1
239 3 . 2 . 1 1 3 3 ILE HG12 H . . A . 3 . HG11 rr_2mix 1
240 2 . 1 . 1 1 8 8 TYR HD1 H . . A . 8 . HD1 rr_2mix 1
240 2 . 2 . 1 1 7 7 CYS HA H . . A . 7 . HA rr_2mix 1
240 3 . 1 . 1 1 8 8 TYR HD2 H . . A . 8 . HD2 rr_2mix 1
240 3 . 2 . 1 1 7 7 CYS HA H . . A . 7 . HA rr_2mix 1
241 2 . 1 . 1 1 15 15 VAL MG2 H . . A . 15 . HG21 rr_2mix 1
241 2 . 2 . 1 1 8 8 TYR HD1 H . . A . 8 . HD1 rr_2mix 1
241 3 . 1 . 1 1 15 15 VAL MG2 H . . A . 15 . HG21 rr_2mix 1
241 3 . 2 . 1 1 8 8 TYR HD2 H . . A . 8 . HD2 rr_2mix 1
242 2 . 1 . 1 1 8 8 TYR HE1 H . . A . 8 . HE1 rr_2mix 1
242 2 . 2 . 1 1 3 3 ILE HB H . . A . 3 . HB rr_2mix 1
242 3 . 1 . 1 1 8 8 TYR HE2 H . . A . 8 . HE2 rr_2mix 1
242 3 . 2 . 1 1 3 3 ILE HB H . . A . 3 . HB rr_2mix 1
243 2 . 1 . 1 1 8 8 TYR HE1 H . . A . 8 . HE1 rr_2mix 1
243 2 . 2 . 1 1 3 3 ILE HG12 H . . A . 3 . HG11 rr_2mix 1
243 3 . 1 . 1 1 8 8 TYR HE2 H . . A . 8 . HE2 rr_2mix 1
243 3 . 2 . 1 1 3 3 ILE HG12 H . . A . 3 . HG11 rr_2mix 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 2.093 1.545 2.641 rr_2mix 1
2 1 . . . . . . 2.872 1.841 3.903 rr_2mix 1
3 1 . . . . . . 3.278 1.935 4.621 rr_2mix 1
4 1 . . . . . . 2.680 1.782 3.578 rr_2mix 1
5 1 . . . . . . 3.129 1.905 4.353 rr_2mix 1
6 1 . . . . . . 2.943 1.861 4.025 rr_2mix 1
7 1 . . . . . . 2.496 1.717 3.275 rr_2mix 1
8 1 . . . . . . 3.963 2.000 5.926 rr_2mix 1
9 2 . . . . . . 3.331 1.944 4.718 rr_2mix 1
9 3 . . . . . . 3.331 1.944 4.718 rr_2mix 1
10 1 . . . . . . 2.876 1.842 3.910 rr_2mix 1
11 1 . . . . . . 2.492 1.716 3.268 rr_2mix 1
12 2 . . . . . . 2.050 1.525 2.575 rr_2mix 1
12 3 . . . . . . 2.050 1.525 2.575 rr_2mix 1
13 2 . . . . . . 2.745 1.803 3.687 rr_2mix 1
13 3 . . . . . . 2.745 1.803 3.687 rr_2mix 1
14 2 . . . . . . 3.141 1.908 4.374 rr_2mix 1
14 3 . . . . . . 3.141 1.908 4.374 rr_2mix 1
15 2 . . . . . . 2.680 1.782 3.578 rr_2mix 1
15 3 . . . . . . 2.680 1.782 3.578 rr_2mix 1
16 2 . . . . . . 3.677 1.987 5.367 rr_2mix 1
16 3 . . . . . . 3.677 1.987 5.367 rr_2mix 1
17 2 . . . . . . 3.380 1.952 4.808 rr_2mix 1
17 3 . . . . . . 3.380 1.952 4.808 rr_2mix 1
18 2 . . . . . . 3.135 1.906 4.364 rr_2mix 1
18 3 . . . . . . 3.135 1.906 4.364 rr_2mix 1
19 2 . . . . . . 3.226 1.925 4.527 rr_2mix 1
19 3 . . . . . . 3.226 1.925 4.527 rr_2mix 1
20 2 . . . . . . 2.672 1.780 3.564 rr_2mix 1
20 3 . . . . . . 2.672 1.780 3.564 rr_2mix 1
21 2 . . . . . . 2.847 1.834 3.860 rr_2mix 1
21 3 . . . . . . 2.847 1.834 3.860 rr_2mix 1
22 2 . . . . . . 2.621 1.762 3.480 rr_2mix 1
22 3 . . . . . . 2.621 1.762 3.480 rr_2mix 1
23 2 . . . . . . 3.185 1.917 4.453 rr_2mix 1
23 3 . . . . . . 3.185 1.917 4.453 rr_2mix 1
24 1 . . . . . . 3.042 1.885 4.199 rr_2mix 1
25 1 . . . . . . 3.140 1.908 4.372 rr_2mix 1
26 1 . . . . . . 3.390 1.954 4.826 rr_2mix 1
27 1 . . . . . . 2.203 1.596 2.810 rr_2mix 1
28 1 . . . . . . 2.769 1.811 3.727 rr_2mix 1
29 1 . . . . . . 1.839 1.416 2.262 rr_2mix 1
30 1 . . . . . . 2.541 1.734 3.348 rr_2mix 1
31 1 . . . . . . 3.153 1.910 4.396 rr_2mix 1
32 1 . . . . . . 2.675 1.780 3.570 rr_2mix 1
33 1 . . . . . . 2.749 1.805 3.693 rr_2mix 1
34 1 . . . . . . 2.912 1.852 3.972 rr_2mix 1
35 1 . . . . . . 3.024 1.881 4.167 rr_2mix 1
36 1 . . . . . . 2.828 1.828 3.828 rr_2mix 1
37 1 . . . . . . 1.877 1.437 2.317 rr_2mix 1
38 1 . . . . . . 2.986 1.872 4.100 rr_2mix 1
39 1 . . . . . . 2.822 1.827 3.817 rr_2mix 1
40 1 . . . . . . 2.931 1.857 4.005 rr_2mix 1
41 1 . . . . . . 2.575 1.746 3.404 rr_2mix 1
42 1 . . . . . . 2.597 1.754 3.440 rr_2mix 1
43 1 . . . . . . 1.882 1.439 2.325 rr_2mix 1
44 1 . . . . . . 1.960 1.480 2.440 rr_2mix 1
45 1 . . . . . . 2.486 1.714 3.258 rr_2mix 1
46 1 . . . . . . 2.255 1.620 2.890 rr_2mix 1
47 1 . . . . . . 2.231 1.609 2.853 rr_2mix 1
48 1 . . . . . . 1.869 1.433 2.305 rr_2mix 1
49 1 . . . . . . 2.138 1.566 2.710 rr_2mix 1
50 1 . . . . . . 2.352 1.661 3.043 rr_2mix 1
51 1 . . . . . . 2.410 1.684 3.136 rr_2mix 1
52 1 . . . . . . 2.303 1.640 2.966 rr_2mix 1
53 1 . . . . . . 2.259 1.621 2.897 rr_2mix 1
54 1 . . . . . . 2.994 1.874 4.114 rr_2mix 1
55 1 . . . . . . 2.515 1.724 3.306 rr_2mix 1
56 1 . . . . . . 2.194 1.592 2.796 rr_2mix 1
57 1 . . . . . . 2.369 1.667 3.071 rr_2mix 1
58 1 . . . . . . 2.187 1.589 2.785 rr_2mix 1
59 1 . . . . . . 3.125 1.904 4.346 rr_2mix 1
60 1 . . . . . . 3.176 1.916 4.436 rr_2mix 1
61 1 . . . . . . 2.638 1.768 3.508 rr_2mix 1
62 1 . . . . . . 2.561 1.741 3.381 rr_2mix 1
63 1 . . . . . . 2.510 1.722 3.298 rr_2mix 1
64 1 . . . . . . 2.386 1.674 3.098 rr_2mix 1
65 1 . . . . . . 1.876 1.436 2.316 rr_2mix 1
66 1 . . . . . . 2.568 1.743 3.393 rr_2mix 1
67 1 . . . . . . 2.636 1.767 3.505 rr_2mix 1
68 1 . . . . . . 2.859 1.837 3.881 rr_2mix 1
69 1 . . . . . . 2.332 1.652 3.012 rr_2mix 1
70 1 . . . . . . 2.348 1.659 3.037 rr_2mix 1
71 1 . . . . . . 2.679 1.782 3.576 rr_2mix 1
72 1 . . . . . . 2.166 1.580 2.752 rr_2mix 1
73 1 . . . . . . 2.156 1.575 2.737 rr_2mix 1
74 1 . . . . . . 2.036 1.518 2.554 rr_2mix 1
75 1 . . . . . . 2.658 1.775 3.541 rr_2mix 1
76 1 . . . . . . 2.845 1.833 3.857 rr_2mix 1
77 1 . . . . . . 2.319 1.646 2.992 rr_2mix 1
78 1 . . . . . . 2.384 1.674 3.094 rr_2mix 1
79 1 . . . . . . 2.218 1.603 2.833 rr_2mix 1
80 1 . . . . . . 2.435 1.694 3.176 rr_2mix 1
81 1 . . . . . . 1.982 1.491 2.473 rr_2mix 1
82 1 . . . . . . 2.538 1.733 3.343 rr_2mix 1
83 1 . . . . . . 2.313 1.645 2.981 rr_2mix 1
84 1 . . . . . . 2.303 1.640 2.966 rr_2mix 1
85 1 . . . . . . 2.211 1.600 2.822 rr_2mix 1
86 1 . . . . . . 1.733 1.358 2.108 rr_2mix 1
87 1 . . . . . . 2.902 1.849 3.955 rr_2mix 1
88 1 . . . . . . 3.172 1.914 4.430 rr_2mix 1
89 1 . . . . . . 2.658 1.775 3.541 rr_2mix 1
90 1 . . . . . . 2.980 1.870 4.090 rr_2mix 1
91 1 . . . . . . 2.535 1.732 3.338 rr_2mix 1
92 1 . . . . . . 3.127 1.905 4.349 rr_2mix 1
93 1 . . . . . . 2.513 1.724 3.302 rr_2mix 1
94 1 . . . . . . 3.354 1.948 4.760 rr_2mix 1
95 1 . . . . . . 2.749 1.804 3.694 rr_2mix 1
96 1 . . . . . . 3.139 1.907 4.371 rr_2mix 1
97 1 . . . . . . 2.690 1.786 3.594 rr_2mix 1
98 1 . . . . . . 2.307 1.642 2.972 rr_2mix 1
99 1 . . . . . . 2.664 1.777 3.551 rr_2mix 1
100 1 . . . . . . 2.631 1.765 3.497 rr_2mix 1
101 1 . . . . . . 3.200 1.920 4.480 rr_2mix 1
102 1 . . . . . . 3.220 1.924 4.516 rr_2mix 1
103 1 . . . . . . 2.940 1.860 4.020 rr_2mix 1
104 1 . . . . . . 2.609 1.758 3.460 rr_2mix 1
105 1 . . . . . . 2.892 1.847 3.937 rr_2mix 1
106 1 . . . . . . 2.501 1.719 3.283 rr_2mix 1
107 1 . . . . . . 2.504 1.720 3.288 rr_2mix 1
108 1 . . . . . . 2.948 1.862 4.034 rr_2mix 1
109 2 . . . . . . 2.742 1.802 3.682 rr_2mix 1
109 3 . . . . . . 2.742 1.802 3.682 rr_2mix 1
110 2 . . . . . . 3.131 1.905 4.357 rr_2mix 1
110 3 . . . . . . 3.131 1.905 4.357 rr_2mix 1
111 1 . . . . . . 2.041 1.520 2.562 rr_2mix 1
112 1 . . . . . . 2.854 1.836 3.872 rr_2mix 1
113 1 . . . . . . 2.244 1.615 2.873 rr_2mix 1
114 1 . . . . . . 2.178 1.585 2.771 rr_2mix 1
115 1 . . . . . . 2.937 1.859 4.015 rr_2mix 1
116 1 . . . . . . 2.239 1.613 2.865 rr_2mix 1
117 1 . . . . . . 2.372 1.668 3.076 rr_2mix 1
118 1 . . . . . . 2.479 1.711 3.247 rr_2mix 1
119 1 . . . . . . 5.529 1.708 9.350 rr_2mix 1
120 1 . . . . . . 3.204 1.921 4.487 rr_2mix 1
121 1 . . . . . . 2.057 1.528 2.586 rr_2mix 1
122 1 . . . . . . 2.162 1.578 2.746 rr_2mix 1
123 1 . . . . . . 2.916 1.853 3.979 rr_2mix 1
124 1 . . . . . . 3.490 1.968 5.012 rr_2mix 1
125 1 . . . . . . 3.450 1.962 4.938 rr_2mix 1
126 1 . . . . . . 2.855 1.836 3.874 rr_2mix 1
127 1 . . . . . . 2.453 1.701 3.205 rr_2mix 1
128 1 . . . . . . 3.625 1.982 5.268 rr_2mix 1
129 1 . . . . . . 2.749 1.804 3.694 rr_2mix 1
130 1 . . . . . . 3.476 1.966 4.986 rr_2mix 1
131 1 . . . . . . 2.989 1.872 4.106 rr_2mix 1
132 1 . . . . . . 2.766 1.810 3.722 rr_2mix 1
133 1 . . . . . . 2.832 1.830 3.834 rr_2mix 1
134 1 . . . . . . 3.326 1.943 4.709 rr_2mix 1
135 1 . . . . . . 2.849 1.834 3.864 rr_2mix 1
136 1 . . . . . . 2.524 1.727 3.321 rr_2mix 1
137 1 . . . . . . 1.897 1.447 2.347 rr_2mix 1
138 1 . . . . . . 4.319 1.988 6.650 rr_2mix 1
139 1 . . . . . . 4.053 2.000 6.106 rr_2mix 1
140 1 . . . . . . 2.239 1.612 2.866 rr_2mix 1
141 1 . . . . . . 2.358 1.663 3.053 rr_2mix 1
142 1 . . . . . . 2.310 1.643 2.977 rr_2mix 1
143 1 . . . . . . 2.449 1.699 3.199 rr_2mix 1
144 1 . . . . . . 1.824 1.408 2.240 rr_2mix 1
145 1 . . . . . . 3.586 1.979 5.193 rr_2mix 1
146 1 . . . . . . 3.024 1.881 4.167 rr_2mix 1
147 1 . . . . . . 2.722 1.796 3.648 rr_2mix 1
148 1 . . . . . . 3.443 1.961 4.925 rr_2mix 1
149 1 . . . . . . 4.861 1.907 7.815 rr_2mix 1
150 1 . . . . . . 3.568 1.977 5.159 rr_2mix 1
151 1 . . . . . . 2.596 1.754 3.438 rr_2mix 1
152 1 . . . . . . 3.165 1.913 4.417 rr_2mix 1
153 1 . . . . . . 3.390 1.954 4.826 rr_2mix 1
154 1 . . . . . . 2.923 1.855 3.991 rr_2mix 1
155 1 . . . . . . 2.031 1.515 2.547 rr_2mix 1
156 1 . . . . . . 2.238 1.612 2.864 rr_2mix 1
157 1 . . . . . . 1.902 1.450 2.354 rr_2mix 1
158 1 . . . . . . 2.923 1.855 3.991 rr_2mix 1
159 1 . . . . . . 2.856 1.837 3.875 rr_2mix 1
160 1 . . . . . . 2.639 1.769 3.509 rr_2mix 1
161 1 . . . . . . 3.025 1.881 4.169 rr_2mix 1
162 1 . . . . . . 2.690 1.786 3.594 rr_2mix 1
163 2 . . . . . . 4.050 2.000 6.100 rr_2mix 1
163 3 . . . . . . 4.050 2.000 6.100 rr_2mix 1
164 1 . . . . . . 2.777 1.813 3.741 rr_2mix 1
165 1 . . . . . . 2.629 1.765 3.493 rr_2mix 1
166 1 . . . . . . 2.696 1.788 3.604 rr_2mix 1
167 1 . . . . . . 3.126 1.904 4.348 rr_2mix 1
168 1 . . . . . . 3.280 1.935 4.625 rr_2mix 1
169 1 . . . . . . 2.372 1.669 3.075 rr_2mix 1
170 1 . . . . . . 2.837 1.831 3.843 rr_2mix 1
171 1 . . . . . . 2.992 1.873 4.111 rr_2mix 1
172 1 . . . . . . 2.961 1.865 4.057 rr_2mix 1
173 1 . . . . . . 2.136 1.566 2.706 rr_2mix 1
174 1 . . . . . . 2.837 1.831 3.843 rr_2mix 1
175 1 . . . . . . 2.550 1.737 3.363 rr_2mix 1
176 1 . . . . . . 2.901 1.849 3.953 rr_2mix 1
177 1 . . . . . . 2.551 1.737 3.365 rr_2mix 1
178 1 . . . . . . 3.034 1.883 4.185 rr_2mix 1
179 1 . . . . . . 1.847 1.421 2.273 rr_2mix 1
180 1 . . . . . . 2.574 1.746 3.402 rr_2mix 1
181 1 . . . . . . 2.798 1.819 3.777 rr_2mix 1
182 1 . . . . . . 2.735 1.800 3.670 rr_2mix 1
183 1 . . . . . . 2.489 1.714 3.264 rr_2mix 1
184 1 . . . . . . 2.874 1.842 3.906 rr_2mix 1
185 1 . . . . . . 2.647 1.771 3.523 rr_2mix 1
186 1 . . . . . . 2.625 1.763 3.487 rr_2mix 1
187 1 . . . . . . 2.782 1.814 3.750 rr_2mix 1
188 1 . . . . . . 3.262 1.932 4.592 rr_2mix 1
189 1 . . . . . . 2.792 1.818 3.766 rr_2mix 1
190 1 . . . . . . 2.817 1.825 3.809 rr_2mix 1
191 1 . . . . . . 1.913 1.455 2.371 rr_2mix 1
192 1 . . . . . . 2.850 1.835 3.865 rr_2mix 1
193 1 . . . . . . 1.859 1.427 2.291 rr_2mix 1
194 1 . . . . . . 3.001 1.875 4.127 rr_2mix 1
195 1 . . . . . . 3.341 1.946 4.736 rr_2mix 1
196 1 . . . . . . 2.613 1.760 3.466 rr_2mix 1
197 1 . . . . . . 2.697 1.788 3.606 rr_2mix 1
198 1 . . . . . . 2.717 1.794 3.640 rr_2mix 1
199 1 . . . . . . 2.867 1.840 3.894 rr_2mix 1
200 1 . . . . . . 3.334 1.945 4.723 rr_2mix 1
201 1 . . . . . . 3.166 1.913 4.419 rr_2mix 1
202 1 . . . . . . 3.506 1.969 5.043 rr_2mix 1
203 1 . . . . . . 3.376 1.951 4.801 rr_2mix 1
204 1 . . . . . . 3.614 1.982 5.246 rr_2mix 1
205 1 . . . . . . 1.892 1.445 2.339 rr_2mix 1
206 1 . . . . . . 3.171 1.914 4.428 rr_2mix 1
207 1 . . . . . . 3.252 1.930 4.574 rr_2mix 1
208 1 . . . . . . 2.962 1.865 4.059 rr_2mix 1
209 1 . . . . . . 3.266 1.933 4.599 rr_2mix 1
210 1 . . . . . . 2.623 1.763 3.483 rr_2mix 1
211 1 . . . . . . 2.509 1.722 3.296 rr_2mix 1
212 1 . . . . . . 2.785 1.816 3.754 rr_2mix 1
213 1 . . . . . . 3.159 1.912 4.406 rr_2mix 1
214 1 . . . . . . 1.976 1.488 2.464 rr_2mix 1
215 1 . . . . . . 1.718 1.349 2.087 rr_2mix 1
216 1 . . . . . . 2.499 1.718 3.280 rr_2mix 1
217 1 . . . . . . 2.471 1.708 3.234 rr_2mix 1
218 1 . . . . . . 2.359 1.663 3.055 rr_2mix 1
219 1 . . . . . . 2.429 1.691 3.167 rr_2mix 1
220 1 . . . . . . 2.391 1.677 3.105 rr_2mix 1
221 1 . . . . . . 1.847 1.420 2.274 rr_2mix 1
222 1 . . . . . . 2.911 1.852 3.970 rr_2mix 1
223 1 . . . . . . 2.383 1.673 3.093 rr_2mix 1
224 1 . . . . . . 3.301 1.939 4.663 rr_2mix 1
225 1 . . . . . . 2.786 1.816 3.756 rr_2mix 1
226 1 . . . . . . 1.891 1.444 2.338 rr_2mix 1
227 1 . . . . . . 2.268 1.625 2.911 rr_2mix 1
228 1 . . . . . . 3.030 1.882 4.178 rr_2mix 1
229 1 . . . . . . 3.134 1.906 4.362 rr_2mix 1
230 1 . . . . . . 2.396 1.678 3.114 rr_2mix 1
231 1 . . . . . . 2.013 1.506 2.520 rr_2mix 1
232 2 . . . . . . 2.038 1.519 2.557 rr_2mix 1
232 3 . . . . . . 2.038 1.519 2.557 rr_2mix 1
232 4 . . . . . . 2.038 1.519 2.557 rr_2mix 1
232 5 . . . . . . 2.038 1.519 2.557 rr_2mix 1
233 1 . . . . . . 2.705 1.790 3.620 rr_2mix 1
234 1 . . . . . . 2.959 1.865 4.053 rr_2mix 1
235 1 . . . . . . 3.060 1.890 4.230 rr_2mix 1
236 1 . . . . . . 2.787 1.816 3.758 rr_2mix 1
237 2 . . . . . . 3.006 1.877 4.135 rr_2mix 1
237 3 . . . . . . 3.006 1.877 4.135 rr_2mix 1
238 2 . . . . . . 3.130 1.905 4.355 rr_2mix 1
238 3 . . . . . . 3.130 1.905 4.355 rr_2mix 1
239 2 . . . . . . 3.346 1.946 4.746 rr_2mix 1
239 3 . . . . . . 3.346 1.946 4.746 rr_2mix 1
240 2 . . . . . . 3.954 1.999 5.909 rr_2mix 1
240 3 . . . . . . 3.954 1.999 5.909 rr_2mix 1
241 2 . . . . . . 4.196 1.995 6.397 rr_2mix 1
241 3 . . . . . . 4.196 1.995 6.397 rr_2mix 1
242 2 . . . . . . 3.157 1.911 4.403 rr_2mix 1
242 3 . . . . . . 3.157 1.911 4.403 rr_2mix 1
243 2 . . . . . . 3.378 1.952 4.804 rr_2mix 1
243 3 . . . . . . 3.378 1.952 4.804 rr_2mix 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 "spec=D2O_...woWS, no=21, id=418, vol=2.763682e+05" 1 127 1 178 rr_2mix 1
2 "spec=D2O_...woWS, no=25, id=420, vol=4.144636e+04" 2 127 2 178 rr_2mix 1
3 "spec=D2O_...woWS, no=31, id=424, vol=1.874603e+04" 3 127 3 178 rr_2mix 1
4 "spec=D2O_...woWS, no=32, id=425, vol=6.276623e+04" 4 127 4 178 rr_2mix 1
5 "spec=D2O_...woWS, no=33, id=426, vol=2.477748e+04" 5 127 5 178 rr_2mix 1
6 "spec=D2O_...woWS, no=34, id=427, vol=3.580098e+04" 6 127 6 178 rr_2mix 1
7 "spec=D2O_...woWS, no=41, id=434, vol=9.609979e+04" 7 127 7 178 rr_2mix 1
8 "spec=D2O_...woWS, no=57, id=441, vol=1.702977e+04" 9 127 9 178 rr_2mix 1
9 "spec=D2O_...woWS, no=50, id=439, vol=5.997760e+03" 8 127 8 178 rr_2mix 1
10 "spec=D2O_...woWS, no=58, id=442, vol=4.108624e+04" 15 127 15 178 rr_2mix 1
11 "spec=D2O_...woWS, no=64, id=448, vol=3.130386e+05" 17 127 17 178 rr_2mix 1
12 "spec=D2O_...woWS, no=60, id=444, vol=9.709748e+04" 16 127 16 178 rr_2mix 1
13 "spec=D2O_...woWS, no=68, id=450, vol=5.427219e+04" 19 127 19 178 rr_2mix 1
14 "spec=D2O_...woWS, no=69, id=451, vol=2.421018e+04" 21 127 21 178 rr_2mix 1
15 "spec=D2O_...woWS, no=70, id=452, vol=6.275234e+04" 23 127 23 178 rr_2mix 1
16 "spec=D2O_...woWS, no=79, id=459, vol=9.409031e+03" 29 127 29 178 rr_2mix 1
17 "spec=D2O_...woWS, no=82, id=461, vol=1.558836e+04" 31 127 31 178 rr_2mix 1
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205 "spec=NOES...s_5C, no=378, id=284, vol=4.140042e+04" 315 127 315 179 rr_2mix 1
206 "spec=NOES...s_5C, no=380, id=286, vol=2.242813e+04" 316 127 316 179 rr_2mix 1
207 "spec=NOES...s_5C, no=389, id=294, vol=1.872016e+04" 318 127 318 179 rr_2mix 1
208 "spec=NOES...s_5C, no=387, id=292, vol=2.813520e+04" 317 127 317 179 rr_2mix 1
209 "spec=NOES...s_5C, no=396, id=296, vol=9.092463e+05" 321 127 321 179 rr_2mix 1
210 "spec=NOES...s_5C, no=408, id=302, vol=4.096510e+04" 322 127 322 179 rr_2mix 1
211 "spec=NOES...s_5C, no=410, id=304, vol=3.521239e+04" 323 127 323 179 rr_2mix 1
212 "spec=NOES...s_5C, no=412, id=305, vol=6.167744e+04" 324 127 324 179 rr_2mix 1
213 "spec=NOES...s_5C, no=414, id=307, vol=3.435061e+04" 325 127 325 179 rr_2mix 1
214 "spec=NOES...s_5C, no=417, id=309, vol=1.279404e+05" 326 127 326 179 rr_2mix 1
215 "spec=NOES...s_5C, no=418, id=310, vol=1.671179e+05" 327 127 327 179 rr_2mix 1
216 "spec=NOES...s_5C, no=422, id=314, vol=8.940327e+04" 328 127 328 179 rr_2mix 1
217 "spec=NOES...s_5C, no=423, id=315, vol=4.193848e+04" 329 127 329 179 rr_2mix 1
218 "spec=NOES...s_5C, no=433, id=324, vol=7.008474e+05" 330 127 330 179 rr_2mix 1
219 "spec=NOES...s_5C, no=438, id=327, vol=1.623395e+06" 331 127 331 179 rr_2mix 1
220 "spec=NOES...s_5C, no=439, id=328, vol=1.710624e+05" 332 127 332 179 rr_2mix 1
221 "spec=NOES...s_5C, no=440, id=329, vol=1.831644e+05" 333 127 333 179 rr_2mix 1
222 "spec=NOES...s_5C, no=441, id=330, vol=2.416578e+05" 334 127 334 179 rr_2mix 1
223 "spec=NOES...s_5C, no=448, id=333, vol=2.029130e+05" 335 127 335 179 rr_2mix 1
224 "spec=NOES...s_5C, no=452, id=335, vol=2.232204e+05" 336 127 336 179 rr_2mix 1
225 "spec=NOES...s_5C, no=457, id=336, vol=1.048451e+06" 337 127 337 179 rr_2mix 1
226 "spec=NOES...s_5C, no=465, id=341, vol=6.845427e+04" 338 127 338 179 rr_2mix 1
227 "spec=NOES...s_5C, no=466, id=342, vol=2.276146e+05" 339 127 339 179 rr_2mix 1
228 "spec=NOES...s_5C, no=469, id=344, vol=3.218471e+04" 340 127 340 179 rr_2mix 1
229 "spec=NOES...s_5C, no=470, id=345, vol=8.920720e+04" 341 127 341 179 rr_2mix 1
230 "spec=NOES...s_5C, no=478, id=350, vol=9.105241e+05" 342 127 342 179 rr_2mix 1
231 "spec=NOES...s_5C, no=481, id=351, vol=3.064714e+05" 343 127 343 179 rr_2mix 1
232 "spec=NOES...s_5C, no=483, id=353, vol=5.384426e+04" 344 127 344 179 rr_2mix 1
233 "spec=NOES...s_5C, no=492, id=356, vol=4.395315e+04" 345 127 345 179 rr_2mix 1
234 "spec=NOES...s_5C, no=493, id=357, vol=2.203111e+05" 346 127 346 179 rr_2mix 1
235 "spec=NOES...s_5C, no=498, id=361, vol=5.815290e+05" 348 127 348 179 rr_2mix 1
236 "spec=NOES...s_5C, no=496, id=359, vol=6.262125e+05" 347 127 347 179 rr_2mix 1
237 "spec=NOES...s_5C, no=499, id=362, vol=1.062916e+05" 352 127 352 179 rr_2mix 1
238 "spec=NOES...s_5C, no=500, id=363, vol=6.211241e+04" 353 127 353 179 rr_2mix 1
239 "spec=NOES...s_5C, no=501, id=364, vol=5.081553e+04" 354 127 354 179 rr_2mix 1
240 "spec=NOES...s_5C, no=510, id=371, vol=5.649684e+04" 356 127 356 179 rr_2mix 1
241 "spec=NOES...s_5C, no=502, id=365, vol=8.887990e+04" 355 127 355 179 rr_2mix 1
242 "spec=NOES...s_5C, no=512, id=372, vol=4.431936e+04" 362 127 362 179 rr_2mix 1
243 "spec=NOES...s_5C, no=516, id=376, vol=2.969273e+04" 364 127 364 179 rr_2mix 1
244 "spec=NOES...s_5C, no=520, id=379, vol=1.089927e+04" 366 127 366 179 rr_2mix 1
245 "spec=NOES...s_5C, no=527, id=386, vol=7.632120e+03" 368 127 368 179 rr_2mix 1
246 "spec=NOES...s_5C, no=534, id=390, vol=4.212588e+04" 374 127 374 179 rr_2mix 1
247 "spec=NOES...s_5C, no=536, id=392, vol=2.804764e+04" 376 127 376 179 rr_2mix 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Entry_ID rr_2mix
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_2mix 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 1 1 THR C C . . 1 1 2 2 ARG N N . . 1 1 2 2 ARG CA C . . 1 1 2 2 ARG C C . -117.0 -77.0 . . . A . 1 THR C . . A . 2 ARG N . . A . 2 ARG CA . . A . 2 ARG C . . . 1 . C . . . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . rr_2mix 1
2 . . 1 1 2 2 ARG N N . . 1 1 2 2 ARG CA C . . 1 1 2 2 ARG C C . . 1 1 3 3 ILE N N . -26.0 22.0 . . . A . 2 ARG N . . A . 2 ARG CA . . A . 2 ARG C . . A . 3 ILE N . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . . . . 3 . N . . rr_2mix 1
3 . . 1 1 2 2 ARG C C . . 1 1 3 3 ILE N N . . 1 1 3 3 ILE CA C . . 1 1 3 3 ILE C C . -137.0 -33.0 . . . A . 2 ARG C . . A . 3 ILE N . . A . 3 ILE CA . . A . 3 ILE C . . . 2 . C . . . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . rr_2mix 1
4 . . 1 1 3 3 ILE N N . . 1 1 3 3 ILE CA C . . 1 1 3 3 ILE C C . . 1 1 4 4 CYS N N . 103.0 167.0 . . . A . 3 ILE N . . A . 3 ILE CA . . A . 3 ILE C . . A . 4 CYS N . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . . . . 4 . N . . rr_2mix 1
5 . . 1 1 4 4 CYS C C . . 1 1 5 5 CYS N N . . 1 1 5 5 CYS CA C . . 1 1 5 5 CYS C C . -163.0 -103.0 . . . A . 4 CYS C . . A . 5 CYS N . . A . 5 CYS CA . . A . 5 CYS C . . . 4 . C . . . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . rr_2mix 1
6 . . 1 1 5 5 CYS N N . . 1 1 5 5 CYS CA C . . 1 1 5 5 CYS C C . . 1 1 6 6 GLY N N . 129.0 169.0 . . . A . 5 CYS N . . A . 5 CYS CA . . A . 5 CYS C . . A . 6 GLY N . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . . . . 6 . N . . rr_2mix 1
7 . . 1 1 6 6 GLY C C . . 1 1 7 7 CYS N N . . 1 1 7 7 CYS CA C . . 1 1 7 7 CYS C C . -167.0 -119.0 . . . A . 6 GLY C . . A . 7 CYS N . . A . 7 CYS CA . . A . 7 CYS C . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . rr_2mix 1
8 . . 1 1 7 7 CYS N N . . 1 1 7 7 CYS CA C . . 1 1 7 7 CYS C C . . 1 1 8 8 TYR N N . 125.0 181.0 . . . A . 7 CYS N . . A . 7 CYS CA . . A . 7 CYS C . . A . 8 TYR N . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . . . . 8 . N . . rr_2mix 1
9 . . 1 1 7 7 CYS C C . . 1 1 8 8 TYR N N . . 1 1 8 8 TYR CA C . . 1 1 8 8 TYR C C . -172.0 -76.0 . . . A . 7 CYS C . . A . 8 TYR N . . A . 8 TYR CA . . A . 8 TYR C . . . 7 . C . . . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . rr_2mix 1
10 . . 1 1 8 8 TYR N N . . 1 1 8 8 TYR CA C . . 1 1 8 8 TYR C C . . 1 1 9 9 TRP N N . 102.0 158.0 . . . A . 8 TYR N . . A . 8 TYR CA . . A . 8 TYR C . . A . 9 TRP N . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . . . . 9 . N . . rr_2mix 1
11 . . 1 1 8 8 TYR C C . . 1 1 9 9 TRP N N . . 1 1 9 9 TRP CA C . . 1 1 9 9 TRP C C . -173.0 -65.0 . . . A . 8 TYR C . . A . 9 TRP N . . A . 9 TRP CA . . A . 9 TRP C . . . 8 . C . . . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . rr_2mix 1
12 . . 1 1 9 9 TRP N N . . 1 1 9 9 TRP CA C . . 1 1 9 9 TRP C C . . 1 1 10 10 ASN N N . 83.0 183.0 . . . A . 9 TRP N . . A . 9 TRP CA . . A . 9 TRP C . . A . 10 ASN N . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . . . . 10 . N . . rr_2mix 1
13 . . 1 1 9 9 TRP C C . . 1 1 10 10 ASN N N . . 1 1 10 10 ASN CA C . . 1 1 10 10 ASN C C . -149.0 -53.0 . . . A . 9 TRP C . . A . 10 ASN N . . A . 10 ASN CA . . A . 10 ASN C . . . 9 . C . . . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . rr_2mix 1
14 . . 1 1 10 10 ASN N N . . 1 1 10 10 ASN CA C . . 1 1 10 10 ASN C C . . 1 1 11 11 GLY N N . 91.0 183.0 . . . A . 10 ASN N . . A . 10 ASN CA . . A . 10 ASN C . . A . 11 GLY N . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . . . . 11 . N . . rr_2mix 1
15 . . 1 1 11 11 GLY C C . . 1 1 12 12 SER N N . . 1 1 12 12 SER CA C . . 1 1 12 12 SER C C . -117.0 -65.0 . . . A . 11 GLY C . . A . 12 SER N . . A . 12 SER CA . . A . 12 SER C . . . 11 . C . . . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . rr_2mix 1
16 . . 1 1 12 12 SER N N . . 1 1 12 12 SER CA C . . 1 1 12 12 SER C C . . 1 1 13 13 LYS N N . -47.0 21.0 . . . A . 12 SER N . . A . 12 SER CA . . A . 12 SER C . . A . 13 LYS N . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . . . . 13 . N . . rr_2mix 1
17 . . 1 1 12 12 SER C C . . 1 1 13 13 LYS N N . . 1 1 13 13 LYS CA C . . 1 1 13 13 LYS C C . -171.0 -87.0 . . . A . 12 SER C . . A . 13 LYS N . . A . 13 LYS CA . . A . 13 LYS C . . . 12 . C . . . . . 13 . N . . . . . 13 . CA . . . . . 13 . C . . rr_2mix 1
18 . . 1 1 13 13 LYS N N . . 1 1 13 13 LYS CA C . . 1 1 13 13 LYS C C . . 1 1 14 14 ASP N N . 127.0 167.0 . . . A . 13 LYS N . . A . 13 LYS CA . . A . 13 LYS C . . A . 14 ASP N . . . 13 . N . . . . . 13 . CA . . . . . 13 . C . . . . . 14 . N . . rr_2mix 1
19 . . 1 1 13 13 LYS C C . . 1 1 14 14 ASP N N . . 1 1 14 14 ASP CA C . . 1 1 14 14 ASP C C . -138.0 -58.0 . . . A . 13 LYS C . . A . 14 ASP N . . A . 14 ASP CA . . A . 14 ASP C . . . 13 . C . . . . . 14 . N . . . . . 14 . CA . . . . . 14 . C . . rr_2mix 1
20 . . 1 1 14 14 ASP N N . . 1 1 14 14 ASP CA C . . 1 1 14 14 ASP C C . . 1 1 15 15 VAL N N . 111.0 159.0 . . . A . 14 ASP N . . A . 14 ASP CA . . A . 14 ASP C . . A . 15 VAL N . . . 14 . N . . . . . 14 . CA . . . . . 14 . C . . . . . 15 . N . . rr_2mix 1
21 . . 1 1 14 14 ASP C C . . 1 1 15 15 VAL N N . . 1 1 15 15 VAL CA C . . 1 1 15 15 VAL C C . -138.0 -62.0 . . . A . 14 ASP C . . A . 15 VAL N . . A . 15 VAL CA . . A . 15 VAL C . . . 14 . C . . . . . 15 . N . . . . . 15 . CA . . . . . 15 . C . . rr_2mix 1
22 . . 1 1 15 15 VAL N N . . 1 1 15 15 VAL CA C . . 1 1 15 15 VAL C C . . 1 1 16 16 CYS N N . 107.0 155.0 . . . A . 15 VAL N . . A . 15 VAL CA . . A . 15 VAL C . . A . 16 CYS N . . . 15 . N . . . . . 15 . CA . . . . . 15 . C . . . . . 16 . N . . rr_2mix 1
23 . . 1 1 15 15 VAL C C . . 1 1 16 16 CYS N N . . 1 1 16 16 CYS CA C . . 1 1 16 16 CYS C C . -153.0 -93.0 . . . A . 15 VAL C . . A . 16 CYS N . . A . 16 CYS CA . . A . 16 CYS C . . . 15 . C . . . . . 16 . N . . . . . 16 . CA . . . . . 16 . C . . rr_2mix 1
24 . . 1 1 16 16 CYS N N . . 1 1 16 16 CYS CA C . . 1 1 16 16 CYS C C . . 1 1 17 17 SER N N . 123.0 175.0 . . . A . 16 CYS N . . A . 16 CYS CA . . A . 16 CYS C . . A . 17 SER N . . . 16 . N . . . . . 16 . CA . . . . . 16 . C . . . . . 17 . N . . rr_2mix 1
25 . . 1 1 16 16 CYS C C . . 1 1 17 17 SER N N . . 1 1 17 17 SER CA C . . 1 1 17 17 SER C C . -188.0 -84.0 . . . A . 16 CYS C . . A . 17 SER N . . A . 17 SER CA . . A . 17 SER C . . . 16 . C . . . . . 17 . N . . . . . 17 . CA . . . . . 17 . C . . rr_2mix 1
26 . . 1 1 17 17 SER N N . . 1 1 17 17 SER CA C . . 1 1 17 17 SER C C . . 1 1 18 18 GLN N N . 115.0 183.0 . . . A . 17 SER N . . A . 17 SER CA . . A . 17 SER C . . A . 18 GLN N . . . 17 . N . . . . . 17 . CA . . . . . 17 . C . . . . . 18 . N . . rr_2mix 1
27 . . 1 1 17 17 SER C C . . 1 1 18 18 GLN N N . . 1 1 18 18 GLN CA C . . 1 1 18 18 GLN C C . -132.0 -56.0 . . . A . 17 SER C . . A . 18 GLN N . . A . 18 GLN CA . . A . 18 GLN C . . . 17 . C . . . . . 18 . N . . . . . 18 . CA . . . . . 18 . C . . rr_2mix 1
28 . . 1 1 18 18 GLN N N . . 1 1 18 18 GLN CA C . . 1 1 18 18 GLN C C . . 1 1 19 19 SER N N . 80.0 216.0 . . . A . 18 GLN N . . A . 18 GLN CA . . A . 18 GLN C . . A . 19 SER N . . . 18 . N . . . . . 18 . CA . . . . . 18 . C . . . . . 19 . N . . rr_2mix 1
29 . . 1 1 18 18 GLN C C . . 1 1 19 19 SER N N . . 1 1 19 19 SER CA C . . 1 1 19 19 SER C C . -82.0 -30.0 . . . A . 18 GLN C . . A . 19 SER N . . A . 19 SER CA . . A . 19 SER C . . . 18 . C . . . . . 19 . N . . . . . 19 . CA . . . . . 19 . C . . rr_2mix 1
30 . . 1 1 19 19 SER N N . . 1 1 19 19 SER CA C . . 1 1 19 19 SER C C . . 1 1 20 20 CYS N N . -60.0 -8.0 . . . A . 19 SER N . . A . 19 SER CA . . A . 19 SER C . . A . 20 CYS N . . . 19 . N . . . . . 19 . CA . . . . . 19 . C . . . . . 20 . N . . rr_2mix 1
31 . . 1 1 19 19 SER C C . . 1 1 20 20 CYS N N . . 1 1 20 20 CYS CA C . . 1 1 20 20 CYS C C . -110.0 -62.0 . . . A . 19 SER C . . A . 20 CYS N . . A . 20 CYS CA . . A . 20 CYS C . . . 19 . C . . . . . 20 . N . . . . . 20 . CA . . . . . 20 . C . . rr_2mix 1
32 . . 1 1 20 20 CYS N N . . 1 1 20 20 CYS CA C . . 1 1 20 20 CYS C C . . 1 1 21 21 CYS N N . -44.0 32.0 . . . A . 20 CYS N . . A . 20 CYS CA . . A . 20 CYS C . . A . 21 CYS N . . . 20 . N . . . . . 20 . CA . . . . . 20 . C . . . . . 21 . N . . rr_2mix 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_2mix
_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 TOXIN 20-DEC-13 2MIX *TITLE STRUCTURE OF A NOVEL VENOM PEPTIDE TOXIN FROM SAMPLE LIMITED TEREBRID *TITLE 2 MARINE SNAIL *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: VENOM PEPTIDE TOXIN; *COMPND 3 CHAIN: A *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: TEREBRIDAE; *SOURCE 3 ORGANISM_COMMON: SEA SNAIL; *SOURCE 4 ORGANISM_TAXID: 57610 *KEYWDS TERETOXIN, PEPTIDE TOXIN, TOXIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR M.H.BHUIYAN, P.ANAND, A.GRIGORYAN, M.HOLFORD, S.F.POGET *REVDAT 1 03-DEC-14 2MIX 0"
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