NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
406850 |
1xy4   |
6422 | cing | 3-converted-DOCR | STAR | entry | full | 147 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1xy4
# This DOCR archive file contains, for PDB entry <1xy4>:
#
# - 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, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_1xy4
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1xy4"
_Entry.NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 1xy4"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1xy4
_Assembly.ID 1
_Assembly.Name 1xy4
_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 1659.9764
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 "SST1 selective somatosatin analog" 1 $SST1_selective_somatosatin_analog A . no . . . . . . rr_1xy4 1
stop_
save_
save_SST1_selective_somatosatin_analog
_Entity.Sf_category entity
_Entity.Sf_framecode SST1_selective_somatosatin_analog
_Entity.Entry_ID rr_1xy4
_Entity.ID 1
_Entity.Name SST1_selective_somatosatin_analog
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code YCKXFWXTFKSC
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Number_of_monomers 12
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 1659.9764
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 . TYR . rr_1xy4 1
2 . CYS . rr_1xy4 1
3 . LYS . rr_1xy4 1
4 . . . rr_1xy4 1
5 . PHE . rr_1xy4 1
6 . DTR . rr_1xy4 1
7 . IAM . rr_1xy4 1
8 . THR . rr_1xy4 1
9 . PHE . rr_1xy4 1
10 . LYS . rr_1xy4 1
11 . SER . rr_1xy4 1
12 . CYS . rr_1xy4 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
. TYR 1 1 rr_1xy4 1
. CYS 2 2 rr_1xy4 1
. LYS 3 3 rr_1xy4 1
. . 4 4 rr_1xy4 1
. PHE 5 5 rr_1xy4 1
. DTR 6 6 rr_1xy4 1
. IAM 7 7 rr_1xy4 1
. THR 8 8 rr_1xy4 1
. PHE 9 9 rr_1xy4 1
. LYS 10 10 rr_1xy4 1
. SER 11 11 rr_1xy4 1
. CYS 12 12 rr_1xy4 1
stop_
save_
save_chem_comp_ILG
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ILG
_Chem_comp.Entry_ID rr_1xy4
_Chem_comp.ID 1
_Chem_comp.Name Ilg
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C5 H6 N O2"
_Chem_comp.Formula_weight 112.1079
save_
save_chem_comp_DTR
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DTR
_Chem_comp.Entry_ID rr_1xy4
_Chem_comp.ID DTR
_Chem_comp.Name D-tryptophan
_Chem_comp.Type "L-peptide linking"
_Chem_comp.PDB_code DTR
_Chem_comp.Std_deriv_one_letter_code W
_Chem_comp.Std_deriv_three_letter_code Trp
_Chem_comp.Std_deriv_PDB_code TRP
_Chem_comp.Std_deriv_chem_comp_name TRYPTOPHAN
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic yes
_Chem_comp.Formula "C11 H10 N2 O"
_Chem_comp.Formula_weight 186.2128
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
D-tryptophan name rr_1xy4 DTR
stop_
save_
save_chem_comp_IAM
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_IAM
_Chem_comp.Entry_ID rr_1xy4
_Chem_comp.ID IAM
_Chem_comp.Name 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code IAM
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic yes
_Chem_comp.Formula "C13 H20 N2 O2"
_Chem_comp.Formula_weight 236.3132
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1xy4
_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_1xy4
_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_1xy4 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_1xy4 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 TYR C C -3.470 -7.298 1.323 . . . 1.0 . . . . . . . . . . . . A . 1 TYR C . . . . . . . . . rr_1xy4 1
. 1 . 2 . 1 1 1 TYR CA C -4.504 -8.378 0.992 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CA . . . . . . . . . rr_1xy4 1
. 1 . 3 . 1 1 1 TYR CB C -4.993 -8.176 -0.444 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CB . . . . . . . . . rr_1xy4 1
. 1 . 4 . 1 1 1 TYR CD1 C -6.642 -6.274 -0.301 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD1 . . . . . . . . . rr_1xy4 1
. 1 . 5 . 1 1 1 TYR CD2 C -7.462 -8.443 -0.880 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD2 . . . . . . . . . rr_1xy4 1
. 1 . 6 . 1 1 1 TYR CE1 C -7.978 -5.743 -0.395 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE1 . . . . . . . . . rr_1xy4 1
. 1 . 7 . 1 1 1 TYR CE2 C -8.798 -7.913 -0.974 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE2 . . . . . . . . . rr_1xy4 1
. 1 . 8 . 1 1 1 TYR CG C -6.412 -7.613 -0.544 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CG . . . . . . . . . rr_1xy4 1
. 1 . 9 . 1 1 1 TYR CZ C -8.989 -6.590 -0.729 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CZ . . . . . . . . . rr_1xy4 1
. 1 . 10 . 1 1 1 TYR H1 H -6.186 -9.147 1.858 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H1 . . . . . . . . . rr_1xy4 1
. 1 . 11 . 1 1 1 TYR H2 H -5.389 -7.998 2.793 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H2 . . . . . . . . . rr_1xy4 1
. 1 . 12 . 1 1 1 TYR H3 H -5.647 -7.498 2.496 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H3 . . . . . . . . . rr_1xy4 1
. 1 . 13 . 1 1 1 TYR HA H -4.064 -9.360 1.172 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HA . . . . . . . . . rr_1xy4 1
. 1 . 14 . 1 1 1 TYR HB2 H -4.309 -7.500 -0.959 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB2 . . . . . . . . . rr_1xy4 1
. 1 . 15 . 1 1 1 TYR HB3 H -4.954 -9.130 -0.969 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB3 . . . . . . . . . rr_1xy4 1
. 1 . 16 . 1 1 1 TYR HD1 H -5.813 -5.618 -0.037 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD1 . . . . . . . . . rr_1xy4 1
. 1 . 17 . 1 1 1 TYR HD2 H -7.280 -9.500 -1.072 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD2 . . . . . . . . . rr_1xy4 1
. 1 . 18 . 1 1 1 TYR HE1 H -8.174 -4.689 -0.205 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE1 . . . . . . . . . rr_1xy4 1
. 1 . 19 . 1 1 1 TYR HE2 H -9.636 -8.559 -1.238 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE2 . . . . . . . . . rr_1xy4 1
. 1 . 20 . 1 1 1 TYR HH H -10.228 -5.090 -0.751 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HH . . . . . . . . . rr_1xy4 1
. 1 . 21 . 1 1 1 TYR N N -5.679 -8.250 1.838 . . . 1.0 . . . . . . . . . . . . A . 1 TYR N . . . . . . . . . rr_1xy4 1
. 1 . 22 . 1 1 1 TYR O O -3.562 -6.644 2.360 . . . 1.0 . . . . . . . . . . . . A . 1 TYR O . . . . . . . . . rr_1xy4 1
. 1 . 23 . 1 1 1 TYR OH O -10.250 -6.088 -0.819 . . . 1.0 . . . . . . . . . . . . A . 1 TYR OH . . . . . . . . . rr_1xy4 1
. 1 . 24 . 1 1 2 CYS C C -1.984 -4.807 0.118 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_1xy4 1
. 1 . 25 . 1 1 2 CYS CA C -1.462 -6.160 0.605 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_1xy4 1
. 1 . 26 . 1 1 2 CYS CB C -0.172 -6.565 -0.112 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_1xy4 1
. 1 . 27 . 1 1 2 CYS H H -2.443 -7.686 -0.419 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_1xy4 1
. 1 . 28 . 1 1 2 CYS HA H -1.243 -6.129 1.672 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_1xy4 1
. 1 . 29 . 1 1 2 CYS HB2 H -0.295 -6.385 -1.180 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_1xy4 1
. 1 . 30 . 1 1 2 CYS HB3 H 0.637 -5.918 0.229 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_1xy4 1
. 1 . 31 . 1 1 2 CYS N N -2.511 -7.148 0.422 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_1xy4 1
. 1 . 32 . 1 1 2 CYS O O -2.956 -4.748 -0.636 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_1xy4 1
. 1 . 33 . 1 1 2 CYS SG S 0.329 -8.308 0.133 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_1xy4 1
. 1 . 34 . 1 1 3 LYS C C -0.510 -1.467 0.369 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . rr_1xy4 1
. 1 . 35 . 1 1 3 LYS CA C -1.705 -2.406 0.187 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . rr_1xy4 1
. 1 . 36 . 1 1 3 LYS CB C -2.952 -1.969 0.956 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . rr_1xy4 1
. 1 . 37 . 1 1 3 LYS CD C -3.941 -1.624 3.251 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . rr_1xy4 1
. 1 . 38 . 1 1 3 LYS CE C -4.909 -2.675 3.796 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . rr_1xy4 1
. 1 . 39 . 1 1 3 LYS CG C -2.816 -2.279 2.449 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . rr_1xy4 1
. 1 . 40 . 1 1 3 LYS H H -0.529 -3.811 1.179 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . rr_1xy4 1
. 1 . 41 . 1 1 3 LYS HA H -1.969 -2.430 -0.869 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . rr_1xy4 1
. 1 . 42 . 1 1 3 LYS HB2 H -3.115 -0.901 0.818 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . rr_1xy4 1
. 1 . 43 . 1 1 3 LYS HB3 H -3.829 -2.478 0.556 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . rr_1xy4 1
. 1 . 44 . 1 1 3 LYS HD2 H -3.517 -1.051 4.077 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . rr_1xy4 1
. 1 . 45 . 1 1 3 LYS HD3 H -4.481 -0.920 2.620 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . rr_1xy4 1
. 1 . 46 . 1 1 3 LYS HE2 H -5.559 -3.028 2.997 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . rr_1xy4 1
. 1 . 47 . 1 1 3 LYS HE3 H -4.350 -3.538 4.159 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . rr_1xy4 1
. 1 . 48 . 1 1 3 LYS HG2 H -2.833 -3.358 2.602 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . rr_1xy4 1
. 1 . 49 . 1 1 3 LYS HG3 H -1.851 -1.922 2.811 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . rr_1xy4 1
. 1 . 50 . 1 1 3 LYS HZ1 H -6.097 -2.829 5.501 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . rr_1xy4 1
. 1 . 51 . 1 1 3 LYS HZ2 H -5.187 -1.480 5.482 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . rr_1xy4 1
. 1 . 52 . 1 1 3 LYS N N -1.318 -3.754 0.568 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . rr_1xy4 1
. 1 . 53 . 1 1 3 LYS NZ N -5.724 -2.109 4.894 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . rr_1xy4 1
. 1 . 54 . 1 1 3 LYS O O 0.088 -1.418 1.443 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . rr_1xy4 1
. 1 . 55 . 1 1 4 . C C 0.402 1.620 -0.488 . . . 1.0 . . . . . . . . . . . . A . 4 ILG C . . . . . . . . . rr_1xy4 1
. 1 . 56 . 1 1 4 . CA C 0.915 0.189 -0.668 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CA . . . . . . . . . rr_1xy4 1
. 1 . 57 . 1 1 4 . CB C 1.779 0.058 -1.954 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CB . . . . . . . . . rr_1xy4 1
. 1 . 58 . 1 1 4 . CD C 3.130 -1.614 -3.515 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CD . . . . . . . . . rr_1xy4 1
. 1 . 59 . 1 1 4 . CG C 1.967 -1.374 -2.550 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CG . . . . . . . . . rr_1xy4 1
. 1 . 60 . 1 1 4 . H H -0.689 -0.791 -1.568 . . . 1.0 . . . . . . . . . . . . A . 4 ILG H . . . . . . . . . rr_1xy4 1
. 1 . 61 . 1 1 4 . HA H 1.526 -0.066 0.217 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HA . . . . . . . . . rr_1xy4 1
. 1 . 62 . 1 1 4 . HB2 H 1.349 0.710 -2.739 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB2 . . . . . . . . . rr_1xy4 1
. 1 . 63 . 1 1 4 . HB3 H 2.777 0.499 -1.756 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB3 . . . . . . . . . rr_1xy4 1
. 1 . 64 . 1 1 4 . HG2 H 2.080 -2.108 -1.728 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG2 . . . . . . . . . rr_1xy4 1
. 1 . 65 . 1 1 4 . HG3 H 1.046 -1.694 -3.073 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG3 . . . . . . . . . rr_1xy4 1
. 1 . 66 . 1 1 4 . N N -0.198 -0.745 -0.697 . . . 1.0 . . . . . . . . . . . . A . 4 ILG N . . . . . . . . . rr_1xy4 1
. 1 . 67 . 1 1 4 . O O 1.111 2.579 -0.786 . . . 1.0 . . . . . . . . . . . . A . 4 ILG O . . . . . . . . . rr_1xy4 1
. 1 . 68 . 1 1 4 . OE1 O 3.375 -2.709 -4.007 . . . 1.0 . . . . . . . . . . . . A . 4 ILG OE1 . . . . . . . . . rr_1xy4 1
. 1 . 69 . 1 1 5 PHE C C -1.063 3.998 -0.881 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . rr_1xy4 1
. 1 . 70 . 1 1 5 PHE CA C -1.442 3.013 0.226 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . rr_1xy4 1
. 1 . 71 . 1 1 5 PHE CB C -0.907 3.535 1.561 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . rr_1xy4 1
. 1 . 72 . 1 1 5 PHE CD1 C 0.033 1.497 2.672 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . rr_1xy4 1
. 1 . 73 . 1 1 5 PHE CD2 C -1.819 2.553 3.676 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . rr_1xy4 1
. 1 . 74 . 1 1 5 PHE CE1 C 0.044 0.527 3.710 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . rr_1xy4 1
. 1 . 75 . 1 1 5 PHE CE2 C -1.809 1.584 4.714 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . rr_1xy4 1
. 1 . 76 . 1 1 5 PHE CG C -0.897 2.490 2.679 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . rr_1xy4 1
. 1 . 77 . 1 1 5 PHE CZ C -0.878 0.592 4.708 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . rr_1xy4 1
. 1 . 78 . 1 1 5 PHE H H -1.396 0.931 0.240 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . rr_1xy4 1
. 1 . 79 . 1 1 5 PHE HA H -2.523 2.865 0.223 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . rr_1xy4 1
. 1 . 80 . 1 1 5 PHE HB2 H 0.107 3.906 1.415 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . rr_1xy4 1
. 1 . 81 . 1 1 5 PHE HB3 H -1.515 4.383 1.877 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . rr_1xy4 1
. 1 . 82 . 1 1 5 PHE HD1 H 0.772 1.448 1.873 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . rr_1xy4 1
. 1 . 83 . 1 1 5 PHE HD2 H -2.565 3.348 3.680 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . rr_1xy4 1
. 1 . 84 . 1 1 5 PHE HE1 H 0.789 -0.268 3.706 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . rr_1xy4 1
. 1 . 85 . 1 1 5 PHE HE2 H -2.547 1.634 5.514 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . rr_1xy4 1
. 1 . 86 . 1 1 5 PHE HZ H -0.869 -0.153 5.505 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . rr_1xy4 1
. 1 . 87 . 1 1 5 PHE N N -0.826 1.715 0.000 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . rr_1xy4 1
. 1 . 88 . 1 1 5 PHE O O -0.799 3.595 -2.013 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . rr_1xy4 1
. 1 . 89 . 1 1 6 DTR C C 0.776 6.185 -1.805 . . . 1.0 . . . . . . . . . . . . A . 6 DTR C . . . . . . . . . rr_1xy4 1
. 1 . 90 . 1 1 6 DTR CA C -0.710 6.318 -1.466 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CA . . . . . . . . . rr_1xy4 1
. 1 . 91 . 1 1 6 DTR CB C -1.622 6.116 -2.678 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CB . . . . . . . . . rr_1xy4 1
. 1 . 92 . 1 1 6 DTR CD1 C -3.283 8.064 -2.350 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD1 . . . . . . . . . rr_1xy4 1
. 1 . 93 . 1 1 6 DTR CD2 C -2.347 8.042 -4.358 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD2 . . . . . . . . . rr_1xy4 1
. 1 . 94 . 1 1 6 DTR CE2 C -3.206 9.119 -4.316 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE2 . . . . . . . . . rr_1xy4 1
. 1 . 95 . 1 1 6 DTR CE3 C -1.593 7.749 -5.509 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE3 . . . . . . . . . rr_1xy4 1
. 1 . 96 . 1 1 6 DTR CG C -2.405 7.365 -3.083 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CG . . . . . . . . . rr_1xy4 1
. 1 . 97 . 1 1 6 DTR CH2 C -2.652 9.723 -6.550 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CH2 . . . . . . . . . rr_1xy4 1
. 1 . 98 . 1 1 6 DTR CZ2 C -3.393 9.994 -5.392 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ2 . . . . . . . . . rr_1xy4 1
. 1 . 99 . 1 1 6 DTR CZ3 C -1.792 8.633 -6.577 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ3 . . . . . . . . . rr_1xy4 1
. 1 . 100 . 1 1 6 DTR H H -1.267 5.592 0.404 . . . 1.0 . . . . . . . . . . . . A . 6 DTR H . . . . . . . . . rr_1xy4 1
. 1 . 101 . 1 1 6 DTR HA H -0.897 7.264 -0.960 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HA . . . . . . . . . rr_1xy4 1
. 1 . 102 . 1 1 6 DTR HB2 H -1.018 5.786 -3.524 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB2 . . . . . . . . . rr_1xy4 1
. 1 . 103 . 1 1 6 DTR HB3 H -2.327 5.312 -2.459 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB3 . . . . . . . . . rr_1xy4 1
. 1 . 104 . 1 1 6 DTR HD1 H -3.560 7.817 -1.325 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HD1 . . . . . . . . . rr_1xy4 1
. 1 . 105 . 1 1 6 DTR HE1 H -4.522 9.859 -2.692 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE1 . . . . . . . . . rr_1xy4 1
. 1 . 106 . 1 1 6 DTR HE3 H -0.910 6.902 -5.565 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE3 . . . . . . . . . rr_1xy4 1
. 1 . 107 . 1 1 6 DTR HH2 H -2.750 10.365 -7.426 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HH2 . . . . . . . . . rr_1xy4 1
. 1 . 108 . 1 1 6 DTR HZ2 H -4.077 10.841 -5.334 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ2 . . . . . . . . . rr_1xy4 1
. 1 . 109 . 1 1 6 DTR HZ3 H -1.232 8.450 -7.494 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ3 . . . . . . . . . rr_1xy4 1
. 1 . 110 . 1 1 6 DTR N N -1.051 5.272 -0.518 . . . 1.0 . . . . . . . . . . . . A . 6 DTR N . . . . . . . . . rr_1xy4 1
. 1 . 111 . 1 1 6 DTR NE1 N -3.794 9.135 -3.056 . . . 1.0 . . . . . . . . . . . . A . 6 DTR NE1 . . . . . . . . . rr_1xy4 1
. 1 . 112 . 1 1 6 DTR O O 1.590 7.001 -1.379 . . . 1.0 . . . . . . . . . . . . A . 6 DTR O . . . . . . . . . rr_1xy4 1
. 1 . 113 . 1 1 7 IAM C C 3.427 5.205 -1.829 . . . 1.0 . . . . . . . . . . . . A . 7 IAM C . . . . . . . . . rr_1xy4 1
. 1 . 114 . 1 1 7 IAM CA C 2.457 4.893 -2.970 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CA . . . . . . . . . rr_1xy4 1
. 1 . 115 . 1 1 7 IAM CB C 2.758 5.824 -4.146 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CB . . . . . . . . . rr_1xy4 1
. 1 . 116 . 1 1 7 IAM CD1 C 1.583 6.004 -6.352 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD1 . . . . . . . . . rr_1xy4 1
. 1 . 117 . 1 1 7 IAM CD2 C 2.745 4.011 -5.874 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD2 . . . . . . . . . rr_1xy4 1
. 1 . 118 . 1 1 7 IAM CE1 C 1.202 5.481 -7.615 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE1 . . . . . . . . . rr_1xy4 1
. 1 . 119 . 1 1 7 IAM CE2 C 2.364 3.487 -7.139 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE2 . . . . . . . . . rr_1xy4 1
. 1 . 120 . 1 1 7 IAM CG C 2.348 5.260 -5.508 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CG . . . . . . . . . rr_1xy4 1
. 1 . 121 . 1 1 7 IAM CI C -0.736 2.442 -8.181 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CI . . . . . . . . . rr_1xy4 1
. 1 . 122 . 1 1 7 IAM CK1 C -0.335 1.624 -6.939 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK1 . . . . . . . . . rr_1xy4 1
. 1 . 123 . 1 1 7 IAM CK2 C -1.982 1.815 -8.831 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK2 . . . . . . . . . rr_1xy4 1
. 1 . 124 . 1 1 7 IAM CT C 1.188 3.664 -9.351 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CT . . . . . . . . . rr_1xy4 1
. 1 . 125 . 1 1 7 IAM CZ C 1.600 4.232 -7.980 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CZ . . . . . . . . . rr_1xy4 1
. 1 . 126 . 1 1 7 IAM H H 0.416 4.486 -2.911 . . . 1.0 . . . . . . . . . . . . A . 7 IAM H . . . . . . . . . rr_1xy4 1
. 1 . 127 . 1 1 7 IAM HA H 2.529 3.838 -3.228 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HA . . . . . . . . . rr_1xy4 1
. 1 . 128 . 1 1 7 IAM HB H 2.244 6.771 -3.989 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB . . . . . . . . . rr_1xy4 1
. 1 . 129 . 1 1 7 IAM HB1 H 3.825 6.041 -4.162 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB1 . . . . . . . . . rr_1xy4 1
. 1 . 130 . 1 1 7 IAM HD1 H 1.263 7.005 -6.057 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD1 . . . . . . . . . rr_1xy4 1
. 1 . 131 . 1 1 7 IAM HD2 H 3.357 3.414 -5.199 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD2 . . . . . . . . . rr_1xy4 1
. 1 . 132 . 1 1 7 IAM HE1 H 0.592 6.077 -8.292 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE1 . . . . . . . . . rr_1xy4 1
. 1 . 133 . 1 1 7 IAM HE2 H 2.684 2.488 -7.431 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE2 . . . . . . . . . rr_1xy4 1
. 1 . 134 . 1 1 7 IAM HH H 0.593 1.591 -9.693 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HH . . . . . . . . . rr_1xy4 1
. 1 . 135 . 1 1 7 IAM HI H -0.953 3.448 -7.889 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HI . . . . . . . . . rr_1xy4 1
. 1 . 136 . 1 1 7 IAM HK11 H -0.117 0.617 -7.232 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK11 . . . . . . . . . rr_1xy4 1
. 1 . 137 . 1 1 7 IAM HK12 H 0.531 2.059 -6.488 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK12 . . . . . . . . . rr_1xy4 1
. 1 . 138 . 1 1 7 IAM HK13 H -1.142 1.624 -6.237 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK13 . . . . . . . . . rr_1xy4 1
. 1 . 139 . 1 1 7 IAM HK21 H -2.259 2.385 -9.693 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK21 . . . . . . . . . rr_1xy4 1
. 1 . 140 . 1 1 7 IAM HK22 H -1.766 0.810 -9.124 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK22 . . . . . . . . . rr_1xy4 1
. 1 . 141 . 1 1 7 IAM HK23 H -2.789 1.815 -8.129 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK23 . . . . . . . . . rr_1xy4 1
. 1 . 142 . 1 1 7 IAM HT1 H 2.065 3.426 -9.916 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT1 . . . . . . . . . rr_1xy4 1
. 1 . 143 . 1 1 7 IAM HT2 H 0.607 4.393 -9.881 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT2 . . . . . . . . . rr_1xy4 1
. 1 . 144 . 1 1 7 IAM N N 1.083 5.146 -2.570 . . . 1.0 . . . . . . . . . . . . A . 7 IAM N . . . . . . . . . rr_1xy4 1
. 1 . 145 . 1 1 7 IAM NH N 0.380 2.442 -9.154 . . . 1.0 . . . . . . . . . . . . A . 7 IAM NH . . . . . . . . . rr_1xy4 1
. 1 . 146 . 1 1 7 IAM O O 4.407 5.922 -2.021 . . . 1.0 . . . . . . . . . . . . A . 7 IAM O . . . . . . . . . rr_1xy4 1
. 1 . 147 . 1 1 8 THR C C 4.248 3.523 1.196 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . rr_1xy4 1
. 1 . 148 . 1 1 8 THR CA C 3.954 4.857 0.506 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . rr_1xy4 1
. 1 . 149 . 1 1 8 THR CB C 3.249 5.867 1.414 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . rr_1xy4 1
. 1 . 150 . 1 1 8 THR CG2 C 1.978 5.297 2.048 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . rr_1xy4 1
. 1 . 151 . 1 1 8 THR H H 2.323 4.065 -0.518 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . rr_1xy4 1
. 1 . 152 . 1 1 8 THR HA H 4.910 5.266 0.180 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . rr_1xy4 1
. 1 . 153 . 1 1 8 THR HB H 3.035 6.789 0.876 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . rr_1xy4 1
. 1 . 154 . 1 1 8 THR HG1 H 4.334 5.141 2.931 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . rr_1xy4 1
. 1 . 155 . 1 1 8 THR HG21 H 1.803 5.784 3.008 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . rr_1xy4 1
. 1 . 156 . 1 1 8 THR HG22 H 1.131 5.478 1.389 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . rr_1xy4 1
. 1 . 157 . 1 1 8 THR HG23 H 2.098 4.224 2.202 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . rr_1xy4 1
. 1 . 158 . 1 1 8 THR N N 3.122 4.648 -0.666 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . rr_1xy4 1
. 1 . 159 . 1 1 8 THR O O 4.569 2.535 0.535 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . rr_1xy4 1
. 1 . 160 . 1 1 8 THR OG1 O 4.144 6.029 2.512 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . rr_1xy4 1
. 1 . 161 . 1 1 9 PHE C C 3.732 1.113 2.655 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . rr_1xy4 1
. 1 . 162 . 1 1 9 PHE CA C 4.380 2.340 3.301 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . rr_1xy4 1
. 1 . 163 . 1 1 9 PHE CB C 3.748 2.570 4.676 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . rr_1xy4 1
. 1 . 164 . 1 1 9 PHE CD1 C 4.841 0.794 6.063 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . rr_1xy4 1
. 1 . 165 . 1 1 9 PHE CD2 C 2.499 0.727 5.822 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . rr_1xy4 1
. 1 . 166 . 1 1 9 PHE CE1 C 4.791 -0.369 6.878 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . rr_1xy4 1
. 1 . 167 . 1 1 9 PHE CE2 C 2.448 -0.435 6.637 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . rr_1xy4 1
. 1 . 168 . 1 1 9 PHE CG C 3.694 1.317 5.553 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . rr_1xy4 1
. 1 . 169 . 1 1 9 PHE CZ C 3.596 -0.959 7.146 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . rr_1xy4 1
. 1 . 170 . 1 1 9 PHE H H 3.869 4.343 3.045 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . rr_1xy4 1
. 1 . 171 . 1 1 9 PHE HA H 5.460 2.198 3.342 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . rr_1xy4 1
. 1 . 172 . 1 1 9 PHE HB2 H 4.314 3.343 5.199 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . rr_1xy4 1
. 1 . 173 . 1 1 9 PHE HB3 H 2.736 2.950 4.541 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . rr_1xy4 1
. 1 . 174 . 1 1 9 PHE HD1 H 5.799 1.268 5.848 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . rr_1xy4 1
. 1 . 175 . 1 1 9 PHE HD2 H 1.580 1.146 5.413 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . rr_1xy4 1
. 1 . 176 . 1 1 9 PHE HE1 H 5.710 -0.788 7.285 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . rr_1xy4 1
. 1 . 177 . 1 1 9 PHE HE2 H 1.490 -0.909 6.852 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . rr_1xy4 1
. 1 . 178 . 1 1 9 PHE HZ H 3.557 -1.851 7.771 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . rr_1xy4 1
. 1 . 179 . 1 1 9 PHE N N 4.129 3.536 2.515 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . rr_1xy4 1
. 1 . 180 . 1 1 9 PHE O O 2.953 1.244 1.711 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . rr_1xy4 1
. 1 . 181 . 1 1 10 LYS C C 2.888 -2.075 3.816 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_1xy4 1
. 1 . 182 . 1 1 10 LYS CA C 3.541 -1.298 2.672 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_1xy4 1
. 1 . 183 . 1 1 10 LYS CB C 4.625 -2.085 1.935 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_1xy4 1
. 1 . 184 . 1 1 10 LYS CD C 4.425 -1.774 -0.561 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_1xy4 1
. 1 . 185 . 1 1 10 LYS CE C 5.410 -1.879 -1.726 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_1xy4 1
. 1 . 186 . 1 1 10 LYS CG C 5.131 -1.311 0.715 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_1xy4 1
. 1 . 187 . 1 1 10 LYS H H 4.712 -0.145 3.953 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_1xy4 1
. 1 . 188 . 1 1 10 LYS HA H 2.772 -1.046 1.943 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_1xy4 1
. 1 . 189 . 1 1 10 LYS HB2 H 5.456 -2.288 2.611 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_1xy4 1
. 1 . 190 . 1 1 10 LYS HB3 H 4.230 -3.050 1.619 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_1xy4 1
. 1 . 191 . 1 1 10 LYS HD2 H 3.956 -2.744 -0.388 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_1xy4 1
. 1 . 192 . 1 1 10 LYS HD3 H 3.628 -1.076 -0.814 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_1xy4 1
. 1 . 193 . 1 1 10 LYS HE2 H 6.364 -1.436 -1.442 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_1xy4 1
. 1 . 194 . 1 1 10 LYS HE3 H 5.600 -2.927 -1.956 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_1xy4 1
. 1 . 195 . 1 1 10 LYS HG2 H 4.965 -0.245 0.862 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_1xy4 1
. 1 . 196 . 1 1 10 LYS HG3 H 6.207 -1.453 0.611 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_1xy4 1
. 1 . 197 . 1 1 10 LYS HZ3 H 4.515 -1.891 -3.587 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_1xy4 1
. 1 . 198 . 1 1 10 LYS N N 4.079 -0.050 3.187 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_1xy4 1
. 1 . 199 . 1 1 10 LYS NZ N 4.872 -1.192 -2.921 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_1xy4 1
. 1 . 200 . 1 1 10 LYS O O 3.438 -2.152 4.914 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_1xy4 1
. 1 . 201 . 1 1 11 SER C C 0.716 -4.812 3.981 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_1xy4 1
. 1 . 202 . 1 1 11 SER CA C 0.990 -3.404 4.510 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_1xy4 1
. 1 . 203 . 1 1 11 SER CB C -0.322 -2.676 4.897 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_1xy4 1
. 1 . 204 . 1 1 11 SER H H 1.284 -2.567 2.624 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_1xy4 1
. 1 . 205 . 1 1 11 SER HA H 1.607 -3.518 5.419 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_1xy4 1
. 1 . 206 . 1 1 11 SER HB2 H -0.354 -1.681 4.410 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_1xy4 1
. 1 . 207 . 1 1 11 SER HB3 H -1.208 -3.212 4.507 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_1xy4 1
. 1 . 208 . 1 1 11 SER HG H -0.505 -3.362 6.711 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_1xy4 1
. 1 . 209 . 1 1 11 SER N N 1.723 -2.633 3.519 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_1xy4 1
. 1 . 210 . 1 1 11 SER O O -0.345 -5.382 4.239 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_1xy4 1
. 1 . 211 . 1 1 11 SER OG O -0.460 -2.489 6.311 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_1xy4 1
. 1 . 212 . 1 1 12 CYS C C 1.586 -7.680 3.823 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_1xy4 1
. 1 . 213 . 1 1 12 CYS CA C 1.565 -6.665 2.679 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_1xy4 1
. 1 . 214 . 1 1 12 CYS CB C 2.661 -6.944 1.648 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_1xy4 1
. 1 . 215 . 1 1 12 CYS H H 2.546 -4.864 3.042 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_1xy4 1
. 1 . 216 . 1 1 12 CYS HA H 0.612 -6.693 2.153 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_1xy4 1
. 1 . 217 . 1 1 12 CYS HB2 H 2.829 -6.038 1.063 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_1xy4 1
. 1 . 218 . 1 1 12 CYS HB3 H 3.590 -7.159 2.176 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_1xy4 1
. 1 . 219 . 1 1 12 CYS N N 1.688 -5.334 3.248 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_1xy4 1
. 1 . 220 . 1 1 12 CYS O O 0.545 -8.468 4.020 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_1xy4 1
. 1 . 221 . 1 1 12 CYS SG S 2.305 -8.325 0.502 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_1xy4 1
. 2 . 222 . 1 1 1 TYR C C -3.168 -6.961 0.825 . . . 1.0 . . . . . . . . . . . . A . 1 TYR C . . . . . . . . . rr_1xy4 1
. 2 . 223 . 1 1 1 TYR CA C -4.272 -8.017 0.876 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CA . . . . . . . . . rr_1xy4 1
. 2 . 224 . 1 1 1 TYR CB C -4.858 -8.194 -0.526 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CB . . . . . . . . . rr_1xy4 1
. 2 . 225 . 1 1 1 TYR CD1 C -6.414 -6.215 -0.682 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD1 . . . . . . . . . rr_1xy4 1
. 2 . 226 . 1 1 1 TYR CD2 C -7.346 -8.408 -0.876 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD2 . . . . . . . . . rr_1xy4 1
. 2 . 227 . 1 1 1 TYR CE1 C -7.726 -5.644 -0.846 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE1 . . . . . . . . . rr_1xy4 1
. 2 . 228 . 1 1 1 TYR CE2 C -8.658 -7.836 -1.040 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE2 . . . . . . . . . rr_1xy4 1
. 2 . 229 . 1 1 1 TYR CG C -6.253 -7.586 -0.701 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CG . . . . . . . . . rr_1xy4 1
. 2 . 230 . 1 1 1 TYR CZ C -8.782 -6.483 -1.018 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CZ . . . . . . . . . rr_1xy4 1
. 2 . 231 . 1 1 1 TYR H1 H -6.263 -7.710 1.214 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H1 . . . . . . . . . rr_1xy4 1
. 2 . 232 . 1 1 1 TYR H2 H -5.385 -8.133 2.584 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H2 . . . . . . . . . rr_1xy4 1
. 2 . 233 . 1 1 1 TYR H3 H -5.256 -6.676 2.130 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H3 . . . . . . . . . rr_1xy4 1
. 2 . 234 . 1 1 1 TYR HA H -3.869 -8.936 1.303 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HA . . . . . . . . . rr_1xy4 1
. 2 . 235 . 1 1 1 TYR HB2 H -4.184 -7.740 -1.251 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB2 . . . . . . . . . rr_1xy4 1
. 2 . 236 . 1 1 1 TYR HB3 H -4.907 -9.258 -0.757 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB3 . . . . . . . . . rr_1xy4 1
. 2 . 237 . 1 1 1 TYR HD1 H -5.550 -5.566 -0.543 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD1 . . . . . . . . . rr_1xy4 1
. 2 . 238 . 1 1 1 TYR HD2 H -7.218 -9.491 -0.891 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD2 . . . . . . . . . rr_1xy4 1
. 2 . 239 . 1 1 1 TYR HE1 H -7.867 -4.563 -0.832 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE1 . . . . . . . . . rr_1xy4 1
. 2 . 240 . 1 1 1 TYR HE2 H -9.531 -8.473 -1.178 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE2 . . . . . . . . . rr_1xy4 1
. 2 . 241 . 1 1 1 TYR HH H -9.951 -4.949 -1.274 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HH . . . . . . . . . rr_1xy4 1
. 2 . 242 . 1 1 1 TYR N N -5.373 -7.579 1.716 . . . 1.0 . . . . . . . . . . . . A . 1 TYR N . . . . . . . . . rr_1xy4 1
. 2 . 243 . 1 1 1 TYR O O -3.151 -6.035 1.634 . . . 1.0 . . . . . . . . . . . . A . 1 TYR O . . . . . . . . . rr_1xy4 1
. 2 . 244 . 1 1 1 TYR OH O -10.021 -5.941 -1.172 . . . 1.0 . . . . . . . . . . . . A . 1 TYR OH . . . . . . . . . rr_1xy4 1
. 2 . 245 . 1 1 2 CYS C C -1.741 -4.817 -0.584 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_1xy4 1
. 2 . 246 . 1 1 2 CYS CA C -1.165 -6.208 -0.304 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_1xy4 1
. 2 . 247 . 1 1 2 CYS CB C -0.206 -6.662 -1.407 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_1xy4 1
. 2 . 248 . 1 1 2 CYS H H -2.292 -7.890 -0.790 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_1xy4 1
. 2 . 249 . 1 1 2 CYS HA H -0.607 -6.214 0.633 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_1xy4 1
. 2 . 250 . 1 1 2 CYS HB2 H -0.668 -7.487 -1.951 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_1xy4 1
. 2 . 251 . 1 1 2 CYS HB3 H -0.078 -5.845 -2.116 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_1xy4 1
. 2 . 252 . 1 1 2 CYS N N -2.272 -7.135 -0.135 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_1xy4 1
. 2 . 253 . 1 1 2 CYS O O -2.629 -4.668 -1.422 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_1xy4 1
. 2 . 254 . 1 1 2 CYS SG S 1.443 -7.197 -0.821 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_1xy4 1
. 2 . 255 . 1 1 3 LYS C C -0.519 -1.513 0.331 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . rr_1xy4 1
. 2 . 256 . 1 1 3 LYS CA C -1.661 -2.465 -0.030 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . rr_1xy4 1
. 2 . 257 . 1 1 3 LYS CB C -2.941 -2.223 0.772 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . rr_1xy4 1
. 2 . 258 . 1 1 3 LYS CD C -3.969 -2.229 3.075 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . rr_1xy4 1
. 2 . 259 . 1 1 3 LYS CE C -3.815 -0.785 3.557 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . rr_1xy4 1
. 2 . 260 . 1 1 3 LYS CG C -2.767 -2.656 2.229 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . rr_1xy4 1
. 2 . 261 . 1 1 3 LYS H H -0.488 -3.968 0.811 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . rr_1xy4 1
. 2 . 262 . 1 1 3 LYS HA H -1.908 -2.326 -1.082 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . rr_1xy4 1
. 2 . 263 . 1 1 3 LYS HB2 H -3.205 -1.165 0.732 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . rr_1xy4 1
. 2 . 264 . 1 1 3 LYS HB3 H -3.767 -2.773 0.322 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . rr_1xy4 1
. 2 . 265 . 1 1 3 LYS HD2 H -4.883 -2.326 2.490 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . rr_1xy4 1
. 2 . 266 . 1 1 3 LYS HD3 H -4.069 -2.894 3.932 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . rr_1xy4 1
. 2 . 267 . 1 1 3 LYS HE2 H -3.745 -0.764 4.644 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . rr_1xy4 1
. 2 . 268 . 1 1 3 LYS HE3 H -2.888 -0.364 3.169 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . rr_1xy4 1
. 2 . 269 . 1 1 3 LYS HG2 H -2.647 -3.737 2.279 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . rr_1xy4 1
. 2 . 270 . 1 1 3 LYS HG3 H -1.857 -2.215 2.636 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . rr_1xy4 1
. 2 . 271 . 1 1 3 LYS HZ1 H -4.738 1.024 3.088 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . rr_1xy4 1
. 2 . 272 . 1 1 3 LYS HZ2 H -5.272 -0.218 2.178 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . rr_1xy4 1
. 2 . 273 . 1 1 3 LYS N N -1.210 -3.837 0.132 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . rr_1xy4 1
. 2 . 274 . 1 1 3 LYS NZ N -4.963 0.034 3.112 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . rr_1xy4 1
. 2 . 275 . 1 1 3 LYS O O -0.112 -1.436 1.489 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . rr_1xy4 1
. 2 . 276 . 1 1 4 . C C 0.501 1.552 -0.324 . . . 1.0 . . . . . . . . . . . . A . 4 ILG C . . . . . . . . . rr_1xy4 1
. 2 . 277 . 1 1 4 . CA C 1.053 0.133 -0.486 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CA . . . . . . . . . rr_1xy4 1
. 2 . 278 . 1 1 4 . CB C 2.072 0.055 -1.656 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CB . . . . . . . . . rr_1xy4 1
. 2 . 279 . 1 1 4 . CD C 3.939 -1.554 -2.654 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CD . . . . . . . . . rr_1xy4 1
. 2 . 280 . 1 1 4 . CG C 2.513 -1.370 -2.130 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CG . . . . . . . . . rr_1xy4 1
. 2 . 281 . 1 1 4 . H H -0.371 -0.880 -1.622 . . . 1.0 . . . . . . . . . . . . A . 4 ILG H . . . . . . . . . rr_1xy4 1
. 2 . 282 . 1 1 4 . HA H 1.553 -0.144 0.460 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HA . . . . . . . . . rr_1xy4 1
. 2 . 283 . 1 1 4 . HB2 H 1.658 0.599 -2.527 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB2 . . . . . . . . . rr_1xy4 1
. 2 . 284 . 1 1 4 . HB3 H 2.975 0.636 -1.380 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB3 . . . . . . . . . rr_1xy4 1
. 2 . 285 . 1 1 4 . HG2 H 2.382 -2.093 -1.303 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG2 . . . . . . . . . rr_1xy4 1
. 2 . 286 . 1 1 4 . HG3 H 1.832 -1.736 -2.920 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG3 . . . . . . . . . rr_1xy4 1
. 2 . 287 . 1 1 4 . N N -0.033 -0.810 -0.682 . . . 1.0 . . . . . . . . . . . . A . 4 ILG N . . . . . . . . . rr_1xy4 1
. 2 . 288 . 1 1 4 . O O 1.162 2.524 -0.686 . . . 1.0 . . . . . . . . . . . . A . 4 ILG O . . . . . . . . . rr_1xy4 1
. 2 . 289 . 1 1 4 . OE1 O 4.382 -2.636 -3.015 . . . 1.0 . . . . . . . . . . . . A . 4 ILG OE1 . . . . . . . . . rr_1xy4 1
. 2 . 290 . 1 1 5 PHE C C -1.013 3.888 -0.692 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . rr_1xy4 1
. 2 . 291 . 1 1 5 PHE CA C -1.352 2.907 0.434 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . rr_1xy4 1
. 2 . 292 . 1 1 5 PHE CB C -0.822 3.462 1.755 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . rr_1xy4 1
. 2 . 293 . 1 1 5 PHE CD1 C -0.008 1.372 2.871 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . rr_1xy4 1
. 2 . 294 . 1 1 5 PHE CD2 C -1.672 2.635 3.960 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . rr_1xy4 1
. 2 . 295 . 1 1 5 PHE CE1 C -0.020 0.435 3.937 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . rr_1xy4 1
. 2 . 296 . 1 1 5 PHE CE2 C -1.684 1.698 5.028 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . rr_1xy4 1
. 2 . 297 . 1 1 5 PHE CG C -0.835 2.452 2.905 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . rr_1xy4 1
. 2 . 298 . 1 1 5 PHE CZ C -0.858 0.618 4.994 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . rr_1xy4 1
. 2 . 299 . 1 1 5 PHE H H -1.236 0.830 0.511 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . rr_1xy4 1
. 2 . 300 . 1 1 5 PHE HA H -2.429 2.728 0.443 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . rr_1xy4 1
. 2 . 301 . 1 1 5 PHE HB2 H 0.201 3.813 1.606 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . rr_1xy4 1
. 2 . 302 . 1 1 5 PHE HB3 H -1.417 4.329 2.041 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . rr_1xy4 1
. 2 . 303 . 1 1 5 PHE HD1 H 0.663 1.227 2.025 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . rr_1xy4 1
. 2 . 304 . 1 1 5 PHE HD2 H -2.334 3.501 3.988 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . rr_1xy4 1
. 2 . 305 . 1 1 5 PHE HE1 H 0.641 -0.431 3.909 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . rr_1xy4 1
. 2 . 306 . 1 1 5 PHE HE2 H -2.355 1.845 5.874 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . rr_1xy4 1
. 2 . 307 . 1 1 5 PHE HZ H -0.866 -0.100 5.813 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . rr_1xy4 1
. 2 . 308 . 1 1 5 PHE N N -0.705 1.625 0.219 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . rr_1xy4 1
. 2 . 309 . 1 1 5 PHE O O -0.800 3.480 -1.832 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . rr_1xy4 1
. 2 . 310 . 1 1 6 DTR C C 0.792 6.023 -1.734 . . . 1.0 . . . . . . . . . . . . A . 6 DTR C . . . . . . . . . rr_1xy4 1
. 2 . 311 . 1 1 6 DTR CA C -0.661 6.203 -1.295 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CA . . . . . . . . . rr_1xy4 1
. 2 . 312 . 1 1 6 DTR CB C -1.660 6.040 -2.443 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CB . . . . . . . . . rr_1xy4 1
. 2 . 313 . 1 1 6 DTR CD1 C -3.123 8.043 -1.733 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD1 . . . . . . . . . rr_1xy4 1
. 2 . 314 . 1 1 6 DTR CD2 C -2.993 7.792 -3.930 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD2 . . . . . . . . . rr_1xy4 1
. 2 . 315 . 1 1 6 DTR CE2 C -3.797 8.885 -3.687 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE2 . . . . . . . . . rr_1xy4 1
. 2 . 316 . 1 1 6 DTR CE3 C -2.712 7.365 -5.240 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE3 . . . . . . . . . rr_1xy4 1
. 2 . 317 . 1 1 6 DTR CG C -2.564 7.254 -2.660 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CG . . . . . . . . . rr_1xy4 1
. 2 . 318 . 1 1 6 DTR CH2 C -4.121 9.239 -6.018 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CH2 . . . . . . . . . rr_1xy4 1
. 2 . 319 . 1 1 6 DTR CZ2 C -4.387 9.645 -4.705 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ2 . . . . . . . . . rr_1xy4 1
. 2 . 320 . 1 1 6 DTR CZ3 C -3.307 8.134 -6.245 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ3 . . . . . . . . . rr_1xy4 1
. 2 . 321 . 1 1 6 DTR H H -1.147 5.485 0.599 . . . 1.0 . . . . . . . . . . . . A . 6 DTR H . . . . . . . . . rr_1xy4 1
. 2 . 322 . 1 1 6 DTR HA H -0.782 7.152 -0.772 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HA . . . . . . . . . rr_1xy4 1
. 2 . 323 . 1 1 6 DTR HB2 H -1.110 5.839 -3.363 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB2 . . . . . . . . . rr_1xy4 1
. 2 . 324 . 1 1 6 DTR HB3 H -2.284 5.167 -2.247 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB3 . . . . . . . . . rr_1xy4 1
. 2 . 325 . 1 1 6 DTR HD1 H -2.997 7.911 -0.658 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HD1 . . . . . . . . . rr_1xy4 1
. 2 . 326 . 1 1 6 DTR HE1 H -4.438 9.817 -1.780 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE1 . . . . . . . . . rr_1xy4 1
. 2 . 327 . 1 1 6 DTR HE3 H -2.079 6.504 -5.454 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE3 . . . . . . . . . rr_1xy4 1
. 2 . 328 . 1 1 6 DTR HH2 H -4.548 9.787 -6.857 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HH2 . . . . . . . . . rr_1xy4 1
. 2 . 329 . 1 1 6 DTR HZ2 H -5.019 10.505 -4.488 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ2 . . . . . . . . . rr_1xy4 1
. 2 . 330 . 1 1 6 DTR HZ3 H -3.123 7.847 -7.281 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ3 . . . . . . . . . rr_1xy4 1
. 2 . 331 . 1 1 6 DTR N N -0.972 5.162 -0.331 . . . 1.0 . . . . . . . . . . . . A . 6 DTR N . . . . . . . . . rr_1xy4 1
. 2 . 332 . 1 1 6 DTR NE1 N -3.879 9.044 -2.308 . . . 1.0 . . . . . . . . . . . . A . 6 DTR NE1 . . . . . . . . . rr_1xy4 1
. 2 . 333 . 1 1 6 DTR O O 1.673 6.766 -1.305 . . . 1.0 . . . . . . . . . . . . A . 6 DTR O . . . . . . . . . rr_1xy4 1
. 2 . 334 . 1 1 7 IAM C C 3.391 4.992 -2.014 . . . 1.0 . . . . . . . . . . . . A . 7 IAM C . . . . . . . . . rr_1xy4 1
. 2 . 335 . 1 1 7 IAM CA C 2.332 4.741 -3.090 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CA . . . . . . . . . rr_1xy4 1
. 2 . 336 . 1 1 7 IAM CB C 2.582 5.687 -4.264 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CB . . . . . . . . . rr_1xy4 1
. 2 . 337 . 1 1 7 IAM CD1 C 2.822 4.127 -6.209 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD1 . . . . . . . . . rr_1xy4 1
. 2 . 338 . 1 1 7 IAM CD2 C 1.027 5.651 -6.227 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD2 . . . . . . . . . rr_1xy4 1
. 2 . 339 . 1 1 7 IAM CE1 C 2.400 3.613 -7.463 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE1 . . . . . . . . . rr_1xy4 1
. 2 . 340 . 1 1 7 IAM CE2 C 0.604 5.137 -7.482 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE2 . . . . . . . . . rr_1xy4 1
. 2 . 341 . 1 1 7 IAM CG C 2.126 5.135 -5.617 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CG . . . . . . . . . rr_1xy4 1
. 2 . 342 . 1 1 7 IAM CI C -0.405 1.515 -8.553 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CI . . . . . . . . . rr_1xy4 1
. 2 . 343 . 1 1 7 IAM CK1 C -1.619 2.460 -8.587 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK1 . . . . . . . . . rr_1xy4 1
. 2 . 344 . 1 1 7 IAM CK2 C 0.051 1.313 -7.097 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK2 . . . . . . . . . rr_1xy4 1
. 2 . 345 . 1 1 7 IAM CT C 0.841 3.572 -9.434 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CT . . . . . . . . . rr_1xy4 1
. 2 . 346 . 1 1 7 IAM CZ C 1.300 4.131 -8.073 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CZ . . . . . . . . . rr_1xy4 1
. 2 . 347 . 1 1 7 IAM H H 0.278 4.428 -2.932 . . . 1.0 . . . . . . . . . . . . A . 7 IAM H . . . . . . . . . rr_1xy4 1
. 2 . 348 . 1 1 7 IAM HA H 2.348 3.689 -3.373 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HA . . . . . . . . . rr_1xy4 1
. 2 . 349 . 1 1 7 IAM HB H 2.066 6.628 -4.076 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB . . . . . . . . . rr_1xy4 1
. 2 . 350 . 1 1 7 IAM HB1 H 3.646 5.913 -4.317 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB1 . . . . . . . . . rr_1xy4 1
. 2 . 351 . 1 1 7 IAM HD1 H 3.704 3.713 -5.720 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD1 . . . . . . . . . rr_1xy4 1
. 2 . 352 . 1 1 7 IAM HD2 H 0.469 6.459 -5.753 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD2 . . . . . . . . . rr_1xy4 1
. 2 . 353 . 1 1 7 IAM HE1 H 2.957 2.804 -7.937 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE1 . . . . . . . . . rr_1xy4 1
. 2 . 354 . 1 1 7 IAM HE2 H -0.279 5.551 -7.972 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE2 . . . . . . . . . rr_1xy4 1
. 2 . 355 . 1 1 7 IAM HH H 1.374 1.490 -9.822 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HH . . . . . . . . . rr_1xy4 1
. 2 . 356 . 1 1 7 IAM HI H -0.677 0.570 -8.976 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HI . . . . . . . . . rr_1xy4 1
. 2 . 357 . 1 1 7 IAM HK11 H -1.347 3.406 -8.165 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK11 . . . . . . . . . rr_1xy4 1
. 2 . 358 . 1 1 7 IAM HK12 H -1.935 2.600 -9.600 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK12 . . . . . . . . . rr_1xy4 1
. 2 . 359 . 1 1 7 IAM HK13 H -2.420 2.034 -8.019 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK13 . . . . . . . . . rr_1xy4 1
. 2 . 360 . 1 1 7 IAM HK21 H 0.894 0.656 -7.074 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK21 . . . . . . . . . rr_1xy4 1
. 2 . 361 . 1 1 7 IAM HK22 H 0.324 2.257 -6.674 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK22 . . . . . . . . . rr_1xy4 1
. 2 . 362 . 1 1 7 IAM HK23 H -0.748 0.887 -6.528 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK23 . . . . . . . . . rr_1xy4 1
. 2 . 363 . 1 1 7 IAM HT1 H 1.567 3.817 -10.182 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT1 . . . . . . . . . rr_1xy4 1
. 2 . 364 . 1 1 7 IAM HT2 H -0.103 4.004 -9.696 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT2 . . . . . . . . . rr_1xy4 1
. 2 . 365 . 1 1 7 IAM N N 1.000 5.029 -2.587 . . . 1.0 . . . . . . . . . . . . A . 7 IAM N . . . . . . . . . rr_1xy4 1
. 2 . 366 . 1 1 7 IAM NH N 0.702 2.104 -9.339 . . . 1.0 . . . . . . . . . . . . A . 7 IAM NH . . . . . . . . . rr_1xy4 1
. 2 . 367 . 1 1 7 IAM O O 4.427 5.596 -2.286 . . . 1.0 . . . . . . . . . . . . A . 7 IAM O . . . . . . . . . rr_1xy4 1
. 2 . 368 . 1 1 8 THR C C 4.242 3.340 1.002 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . rr_1xy4 1
. 2 . 369 . 1 1 8 THR CA C 4.006 4.681 0.304 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . rr_1xy4 1
. 2 . 370 . 1 1 8 THR CB C 3.431 5.755 1.231 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . rr_1xy4 1
. 2 . 371 . 1 1 8 THR CG2 C 2.162 5.289 1.949 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . rr_1xy4 1
. 2 . 372 . 1 1 8 THR H H 2.248 4.026 -0.601 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . rr_1xy4 1
. 2 . 373 . 1 1 8 THR HA H 4.968 5.014 -0.084 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . rr_1xy4 1
. 2 . 374 . 1 1 8 THR HB H 3.252 6.684 0.687 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . rr_1xy4 1
. 2 . 375 . 1 1 8 THR HG1 H 4.548 4.978 2.697 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . rr_1xy4 1
. 2 . 376 . 1 1 8 THR HG21 H 2.078 5.804 2.907 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . rr_1xy4 1
. 2 . 377 . 1 1 8 THR HG22 H 1.292 5.522 1.336 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . rr_1xy4 1
. 2 . 378 . 1 1 8 THR HG23 H 2.213 4.213 2.116 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . rr_1xy4 1
. 2 . 379 . 1 1 8 THR N N 3.092 4.516 -0.813 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . rr_1xy4 1
. 2 . 380 . 1 1 8 THR O O 4.444 2.321 0.344 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . rr_1xy4 1
. 2 . 381 . 1 1 8 THR OG1 O 4.397 5.870 2.271 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . rr_1xy4 1
. 2 . 382 . 1 1 9 PHE C C 3.622 1.009 2.558 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . rr_1xy4 1
. 2 . 383 . 1 1 9 PHE CA C 4.421 2.187 3.120 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . rr_1xy4 1
. 2 . 384 . 1 1 9 PHE CB C 3.925 2.494 4.535 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . rr_1xy4 1
. 2 . 385 . 1 1 9 PHE CD1 C 5.084 0.699 5.840 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . rr_1xy4 1
. 2 . 386 . 1 1 9 PHE CD2 C 2.731 0.787 5.925 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . rr_1xy4 1
. 2 . 387 . 1 1 9 PHE CE1 C 5.073 -0.426 6.706 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . rr_1xy4 1
. 2 . 388 . 1 1 9 PHE CE2 C 2.720 -0.337 6.792 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . rr_1xy4 1
. 2 . 389 . 1 1 9 PHE CG C 3.913 1.282 5.468 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . rr_1xy4 1
. 2 . 390 . 1 1 9 PHE CZ C 3.891 -0.920 7.164 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . rr_1xy4 1
. 2 . 391 . 1 1 9 PHE H H 4.048 4.218 2.854 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . rr_1xy4 1
. 2 . 392 . 1 1 9 PHE HA H 5.485 1.954 3.080 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . rr_1xy4 1
. 2 . 393 . 1 1 9 PHE HB2 H 4.558 3.270 4.970 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . rr_1xy4 1
. 2 . 394 . 1 1 9 PHE HB3 H 2.916 2.903 4.475 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . rr_1xy4 1
. 2 . 395 . 1 1 9 PHE HD1 H 6.031 1.096 5.473 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . rr_1xy4 1
. 2 . 396 . 1 1 9 PHE HD2 H 1.792 1.255 5.626 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . rr_1xy4 1
. 2 . 397 . 1 1 9 PHE HE1 H 6.011 -0.893 7.005 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . rr_1xy4 1
. 2 . 398 . 1 1 9 PHE HE2 H 1.773 -0.733 7.158 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . rr_1xy4 1
. 2 . 399 . 1 1 9 PHE HZ H 3.883 -1.784 7.828 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . rr_1xy4 1
. 2 . 400 . 1 1 9 PHE N N 4.211 3.385 2.327 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . rr_1xy4 1
. 2 . 401 . 1 1 9 PHE O O 2.808 1.183 1.652 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . rr_1xy4 1
. 2 . 402 . 1 1 10 LYS C C 2.636 -2.099 3.902 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_1xy4 1
. 2 . 403 . 1 1 10 LYS CA C 3.199 -1.368 2.681 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_1xy4 1
. 2 . 404 . 1 1 10 LYS CB C 4.127 -2.230 1.822 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_1xy4 1
. 2 . 405 . 1 1 10 LYS CD C 5.492 -1.075 0.042 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_1xy4 1
. 2 . 406 . 1 1 10 LYS CE C 5.960 -1.460 -1.362 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_1xy4 1
. 2 . 407 . 1 1 10 LYS CG C 4.151 -1.735 0.375 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_1xy4 1
. 2 . 408 . 1 1 10 LYS H H 4.547 -0.296 3.853 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_1xy4 1
. 2 . 409 . 1 1 10 LYS HA H 2.367 -1.061 2.048 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_1xy4 1
. 2 . 410 . 1 1 10 LYS HB2 H 5.136 -2.208 2.234 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_1xy4 1
. 2 . 411 . 1 1 10 LYS HB3 H 3.796 -3.268 1.849 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_1xy4 1
. 2 . 412 . 1 1 10 LYS HD2 H 5.394 0.009 0.115 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_1xy4 1
. 2 . 413 . 1 1 10 LYS HD3 H 6.240 -1.376 0.775 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_1xy4 1
. 2 . 414 . 1 1 10 LYS HE2 H 7.046 -1.403 -1.418 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_1xy4 1
. 2 . 415 . 1 1 10 LYS HE3 H 5.683 -2.493 -1.572 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_1xy4 1
. 2 . 416 . 1 1 10 LYS HG2 H 3.977 -2.570 -0.302 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_1xy4 1
. 2 . 417 . 1 1 10 LYS HG3 H 3.343 -1.022 0.216 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_1xy4 1
. 2 . 418 . 1 1 10 LYS HZ3 H 4.585 -1.054 -2.849 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_1xy4 1
. 2 . 419 . 1 1 10 LYS N N 3.883 -0.163 3.116 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_1xy4 1
. 2 . 420 . 1 1 10 LYS NZ N 5.355 -0.564 -2.372 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_1xy4 1
. 2 . 421 . 1 1 10 LYS O O 3.224 -2.056 4.982 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_1xy4 1
. 2 . 422 . 1 1 11 SER C C 0.268 -4.795 4.214 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_1xy4 1
. 2 . 423 . 1 1 11 SER CA C 0.855 -3.493 4.759 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_1xy4 1
. 2 . 424 . 1 1 11 SER CB C -0.230 -2.619 5.439 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_1xy4 1
. 2 . 425 . 1 1 11 SER H H 1.032 -2.784 2.809 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_1xy4 1
. 2 . 426 . 1 1 11 SER HA H 1.606 -3.773 5.521 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_1xy4 1
. 2 . 427 . 1 1 11 SER HB2 H -0.482 -1.763 4.784 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_1xy4 1
. 2 . 428 . 1 1 11 SER HB3 H -1.178 -3.177 5.556 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_1xy4 1
. 2 . 429 . 1 1 11 SER HG H 0.329 -2.859 7.290 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_1xy4 1
. 2 . 430 . 1 1 11 SER N N 1.504 -2.755 3.690 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_1xy4 1
. 2 . 431 . 1 1 11 SER O O -0.942 -5.011 4.276 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_1xy4 1
. 2 . 432 . 1 1 11 SER OG O 0.184 -2.107 6.711 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_1xy4 1
. 2 . 433 . 1 1 12 CYS C C 0.367 -7.840 4.293 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_1xy4 1
. 2 . 434 . 1 1 12 CYS CA C 0.736 -6.909 3.136 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_1xy4 1
. 2 . 435 . 1 1 12 CYS CB C 1.818 -7.515 2.239 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_1xy4 1
. 2 . 436 . 1 1 12 CYS H H 2.134 -5.452 3.645 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_1xy4 1
. 2 . 437 . 1 1 12 CYS HA H -0.131 -6.709 2.509 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_1xy4 1
. 2 . 438 . 1 1 12 CYS HB2 H 2.488 -6.718 1.915 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_1xy4 1
. 2 . 439 . 1 1 12 CYS HB3 H 2.413 -8.211 2.831 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_1xy4 1
. 2 . 440 . 1 1 12 CYS N N 1.152 -5.633 3.692 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_1xy4 1
. 2 . 441 . 1 1 12 CYS O O 0.497 -7.421 5.537 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_1xy4 1
. 2 . 442 . 1 1 12 CYS SG S 1.189 -8.390 0.761 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_1xy4 1
. 3 . 443 . 1 1 1 TYR C C -2.695 -7.494 1.192 . . . 1.0 . . . . . . . . . . . . A . 1 TYR C . . . . . . . . . rr_1xy4 1
. 3 . 444 . 1 1 1 TYR CA C -3.909 -8.396 0.964 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CA . . . . . . . . . rr_1xy4 1
. 3 . 445 . 1 1 1 TYR CB C -4.720 -7.851 -0.212 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CB . . . . . . . . . rr_1xy4 1
. 3 . 446 . 1 1 1 TYR CD1 C -6.150 -6.119 0.935 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD1 . . . . . . . . . rr_1xy4 1
. 3 . 447 . 1 1 1 TYR CD2 C -7.240 -7.908 -0.214 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD2 . . . . . . . . . rr_1xy4 1
. 3 . 448 . 1 1 1 TYR CE1 C -7.431 -5.576 1.307 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE1 . . . . . . . . . rr_1xy4 1
. 3 . 449 . 1 1 1 TYR CE2 C -8.522 -7.365 0.157 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE2 . . . . . . . . . rr_1xy4 1
. 3 . 450 . 1 1 1 TYR CG C -6.083 -7.274 0.183 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CG . . . . . . . . . rr_1xy4 1
. 3 . 451 . 1 1 1 TYR CZ C -8.553 -6.226 0.898 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CZ . . . . . . . . . rr_1xy4 1
. 3 . 452 . 1 1 1 TYR H1 H -5.234 -9.294 2.233 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H1 . . . . . . . . . rr_1xy4 1
. 3 . 453 . 1 1 1 TYR H2 H -4.264 -8.129 2.958 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H2 . . . . . . . . . rr_1xy4 1
. 3 . 454 . 1 1 1 TYR H3 H -4.501 -7.780 2.864 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H3 . . . . . . . . . rr_1xy4 1
. 3 . 455 . 1 1 1 TYR HA H -3.570 -9.422 0.827 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HA . . . . . . . . . rr_1xy4 1
. 3 . 456 . 1 1 1 TYR HB2 H -4.141 -7.075 -0.713 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB2 . . . . . . . . . rr_1xy4 1
. 3 . 457 . 1 1 1 TYR HB3 H -4.873 -8.652 -0.936 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB3 . . . . . . . . . rr_1xy4 1
. 3 . 458 . 1 1 1 TYR HD1 H -5.234 -5.617 1.247 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD1 . . . . . . . . . rr_1xy4 1
. 3 . 459 . 1 1 1 TYR HD2 H -7.187 -8.821 -0.809 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD2 . . . . . . . . . rr_1xy4 1
. 3 . 460 . 1 1 1 TYR HE1 H -7.498 -4.665 1.901 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE1 . . . . . . . . . rr_1xy4 1
. 3 . 461 . 1 1 1 TYR HE2 H -9.446 -7.857 -0.147 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE2 . . . . . . . . . rr_1xy4 1
. 3 . 462 . 1 1 1 TYR HH H -9.643 -4.812 1.668 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HH . . . . . . . . . rr_1xy4 1
. 3 . 463 . 1 1 1 TYR N N -4.800 -8.367 2.112 . . . 1.0 . . . . . . . . . . . . A . 1 TYR N . . . . . . . . . rr_1xy4 1
. 3 . 464 . 1 1 1 TYR O O -2.481 -7.001 2.298 . . . 1.0 . . . . . . . . . . . . A . 1 TYR O . . . . . . . . . rr_1xy4 1
. 3 . 465 . 1 1 1 TYR OH O -9.762 -5.711 1.250 . . . 1.0 . . . . . . . . . . . . A . 1 TYR OH . . . . . . . . . rr_1xy4 1
. 3 . 466 . 1 1 2 CYS C C -1.133 -5.046 -0.210 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_1xy4 1
. 3 . 467 . 1 1 2 CYS CA C -0.744 -6.469 0.196 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_1xy4 1
. 3 . 468 . 1 1 2 CYS CB C 0.387 -7.021 -0.676 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_1xy4 1
. 3 . 469 . 1 1 2 CYS H H -2.113 -7.707 -0.772 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_1xy4 1
. 3 . 470 . 1 1 2 CYS HA H -0.401 -6.497 1.228 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_1xy4 1
. 3 . 471 . 1 1 2 CYS HB2 H 0.128 -6.863 -1.723 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_1xy4 1
. 3 . 472 . 1 1 2 CYS HB3 H 1.292 -6.446 -0.481 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_1xy4 1
. 3 . 473 . 1 1 2 CYS N N -1.932 -7.304 0.126 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_1xy4 1
. 3 . 474 . 1 1 2 CYS O O -1.429 -4.787 -1.375 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_1xy4 1
. 3 . 475 . 1 1 2 CYS SG S 0.753 -8.796 -0.423 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_1xy4 1
. 3 . 476 . 1 1 3 LYS C C -0.196 -1.919 0.563 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . rr_1xy4 1
. 3 . 477 . 1 1 3 LYS CA C -1.469 -2.771 0.539 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . rr_1xy4 1
. 3 . 478 . 1 1 3 LYS CB C -2.537 -2.309 1.531 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . rr_1xy4 1
. 3 . 479 . 1 1 3 LYS CD C -5.048 -2.301 1.296 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . rr_1xy4 1
. 3 . 480 . 1 1 3 LYS CE C -5.932 -2.780 0.141 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . rr_1xy4 1
. 3 . 481 . 1 1 3 LYS CG C -3.796 -3.171 1.424 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . rr_1xy4 1
. 3 . 482 . 1 1 3 LYS H H -0.879 -4.380 1.721 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . rr_1xy4 1
. 3 . 483 . 1 1 3 LYS HA H -1.906 -2.708 -0.458 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . rr_1xy4 1
. 3 . 484 . 1 1 3 LYS HB2 H -2.142 -2.359 2.546 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . rr_1xy4 1
. 3 . 485 . 1 1 3 LYS HB3 H -2.789 -1.265 1.340 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . rr_1xy4 1
. 3 . 486 . 1 1 3 LYS HD2 H -5.612 -2.331 2.227 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . rr_1xy4 1
. 3 . 487 . 1 1 3 LYS HD3 H -4.759 -1.264 1.131 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . rr_1xy4 1
. 3 . 488 . 1 1 3 LYS HE2 H -5.358 -2.787 -0.785 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . rr_1xy4 1
. 3 . 489 . 1 1 3 LYS HE3 H -6.254 -3.805 0.325 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . rr_1xy4 1
. 3 . 490 . 1 1 3 LYS HG2 H -3.716 -3.832 0.561 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . rr_1xy4 1
. 3 . 491 . 1 1 3 LYS HG3 H -3.880 -3.808 2.305 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . rr_1xy4 1
. 3 . 492 . 1 1 3 LYS HZ1 H -7.875 -2.366 -0.485 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . rr_1xy4 1
. 3 . 493 . 1 1 3 LYS HZ2 H -7.476 -1.598 0.893 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . rr_1xy4 1
. 3 . 494 . 1 1 3 LYS N N -1.120 -4.160 0.776 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . rr_1xy4 1
. 3 . 495 . 1 1 3 LYS NZ N -7.113 -1.901 -0.004 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . rr_1xy4 1
. 3 . 496 . 1 1 3 LYS O O 0.590 -2.000 1.504 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . rr_1xy4 1
. 3 . 497 . 1 1 4 . C C 0.736 1.195 -0.315 . . . 1.0 . . . . . . . . . . . . A . 4 ILG C . . . . . . . . . rr_1xy4 1
. 3 . 498 . 1 1 4 . CA C 1.127 -0.258 -0.594 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CA . . . . . . . . . rr_1xy4 1
. 3 . 499 . 1 1 4 . CB C 1.794 -0.404 -1.991 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CB . . . . . . . . . rr_1xy4 1
. 3 . 500 . 1 1 4 . CD C 1.929 -3.058 -1.937 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CD . . . . . . . . . rr_1xy4 1
. 3 . 501 . 1 1 4 . CG C 1.632 -1.777 -2.722 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CG . . . . . . . . . rr_1xy4 1
. 3 . 502 . 1 1 4 . H H -0.680 -1.062 -1.245 . . . 1.0 . . . . . . . . . . . . A . 4 ILG H . . . . . . . . . rr_1xy4 1
. 3 . 503 . 1 1 4 . HA H 1.838 -0.572 0.191 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HA . . . . . . . . . rr_1xy4 1
. 3 . 504 . 1 1 4 . HB2 H 1.406 0.392 -2.654 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB2 . . . . . . . . . rr_1xy4 1
. 3 . 505 . 1 1 4 . HB3 H 2.873 -0.173 -1.895 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB3 . . . . . . . . . rr_1xy4 1
. 3 . 506 . 1 1 4 . HG2 H 0.600 -1.873 -3.109 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG2 . . . . . . . . . rr_1xy4 1
. 3 . 507 . 1 1 4 . HG3 H 2.266 -1.804 -3.628 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG3 . . . . . . . . . rr_1xy4 1
. 3 . 508 . 1 1 4 . N N -0.036 -1.123 -0.484 . . . 1.0 . . . . . . . . . . . . A . 4 ILG N . . . . . . . . . rr_1xy4 1
. 3 . 509 . 1 1 4 . O O 1.515 2.112 -0.572 . . . 1.0 . . . . . . . . . . . . A . 4 ILG O . . . . . . . . . rr_1xy4 1
. 3 . 510 . 1 1 4 . OE1 O 1.799 -4.177 -2.416 . . . 1.0 . . . . . . . . . . . . A . 4 ILG OE1 . . . . . . . . . rr_1xy4 1
. 3 . 511 . 1 1 5 PHE C C -0.609 3.688 -0.572 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . rr_1xy4 1
. 3 . 512 . 1 1 5 PHE CA C -0.974 2.685 0.523 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . rr_1xy4 1
. 3 . 513 . 1 1 5 PHE CB C -0.311 3.114 1.834 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . rr_1xy4 1
. 3 . 514 . 1 1 5 PHE CD1 C 0.097 0.977 3.071 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . rr_1xy4 1
. 3 . 515 . 1 1 5 PHE CD2 C -1.459 2.500 3.973 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . rr_1xy4 1
. 3 . 516 . 1 1 5 PHE CE1 C -0.140 0.091 4.157 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . rr_1xy4 1
. 3 . 517 . 1 1 5 PHE CE2 C -1.697 1.615 5.058 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . rr_1xy4 1
. 3 . 518 . 1 1 5 PHE CG C -0.568 2.161 3.003 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . rr_1xy4 1
. 3 . 519 . 1 1 5 PHE CZ C -1.031 0.430 5.127 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . rr_1xy4 1
. 3 . 520 . 1 1 5 PHE H H -1.098 0.610 0.414 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . rr_1xy4 1
. 3 . 521 . 1 1 5 PHE HA H -2.060 2.609 0.597 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . rr_1xy4 1
. 3 . 522 . 1 1 5 PHE HB2 H 0.765 3.196 1.674 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . rr_1xy4 1
. 3 . 523 . 1 1 5 PHE HB3 H -0.670 4.107 2.103 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . rr_1xy4 1
. 3 . 524 . 1 1 5 PHE HD1 H 0.812 0.707 2.294 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . rr_1xy4 1
. 3 . 525 . 1 1 5 PHE HD2 H -1.992 3.449 3.916 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . rr_1xy4 1
. 3 . 526 . 1 1 5 PHE HE1 H 0.392 -0.858 4.213 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . rr_1xy4 1
. 3 . 527 . 1 1 5 PHE HE2 H -2.411 1.885 5.835 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . rr_1xy4 1
. 3 . 528 . 1 1 5 PHE HZ H -1.214 -0.249 5.959 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . rr_1xy4 1
. 3 . 529 . 1 1 5 PHE N N -0.470 1.360 0.208 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . rr_1xy4 1
. 3 . 530 . 1 1 5 PHE O O -0.260 3.295 -1.686 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . rr_1xy4 1
. 3 . 531 . 1 1 6 DTR C C 1.096 5.893 -1.539 . . . 1.0 . . . . . . . . . . . . A . 6 DTR C . . . . . . . . . rr_1xy4 1
. 3 . 532 . 1 1 6 DTR CA C -0.380 6.022 -1.161 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CA . . . . . . . . . rr_1xy4 1
. 3 . 533 . 1 1 6 DTR CB C -1.323 5.839 -2.352 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CB . . . . . . . . . rr_1xy4 1
. 3 . 534 . 1 1 6 DTR CD1 C -3.482 7.070 -1.655 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD1 . . . . . . . . . rr_1xy4 1
. 3 . 535 . 1 1 6 DTR CD2 C -2.507 7.955 -3.435 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD2 . . . . . . . . . rr_1xy4 1
. 3 . 536 . 1 1 6 DTR CE2 C -3.639 8.698 -3.172 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE2 . . . . . . . . . rr_1xy4 1
. 3 . 537 . 1 1 6 DTR CE3 C -1.661 8.265 -4.514 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE3 . . . . . . . . . rr_1xy4 1
. 3 . 538 . 1 1 6 DTR CG C -2.415 6.905 -2.450 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CG . . . . . . . . . rr_1xy4 1
. 3 . 539 . 1 1 6 DTR CH2 C -3.201 10.130 -5.022 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CH2 . . . . . . . . . rr_1xy4 1
. 3 . 540 . 1 1 6 DTR CZ2 C -4.028 9.802 -3.943 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ2 . . . . . . . . . rr_1xy4 1
. 3 . 541 . 1 1 6 DTR CZ3 C -2.064 9.370 -5.275 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ3 . . . . . . . . . rr_1xy4 1
. 3 . 542 . 1 1 6 DTR H H -0.982 5.271 0.687 . . . 1.0 . . . . . . . . . . . . A . 6 DTR H . . . . . . . . . rr_1xy4 1
. 3 . 543 . 1 1 6 DTR HA H -0.553 6.960 -0.633 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HA . . . . . . . . . rr_1xy4 1
. 3 . 544 . 1 1 6 DTR HB2 H -0.736 5.850 -3.271 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB2 . . . . . . . . . rr_1xy4 1
. 3 . 545 . 1 1 6 DTR HB3 H -1.792 4.857 -2.283 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB3 . . . . . . . . . rr_1xy4 1
. 3 . 546 . 1 1 6 DTR HD1 H -3.714 6.434 -0.800 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HD1 . . . . . . . . . rr_1xy4 1
. 3 . 547 . 1 1 6 DTR HE1 H -5.169 8.492 -1.582 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE1 . . . . . . . . . rr_1xy4 1
. 3 . 548 . 1 1 6 DTR HE3 H -0.762 7.693 -4.741 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE3 . . . . . . . . . rr_1xy4 1
. 3 . 549 . 1 1 6 DTR HH2 H -3.447 10.978 -5.663 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HH2 . . . . . . . . . rr_1xy4 1
. 3 . 550 . 1 1 6 DTR HZ2 H -4.928 10.373 -3.714 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ2 . . . . . . . . . rr_1xy4 1
. 3 . 551 . 1 1 6 DTR HZ3 H -1.444 9.655 -6.124 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ3 . . . . . . . . . rr_1xy4 1
. 3 . 552 . 1 1 6 DTR N N -0.699 4.960 -0.220 . . . 1.0 . . . . . . . . . . . . A . 6 DTR N . . . . . . . . . rr_1xy4 1
. 3 . 553 . 1 1 6 DTR NE1 N -4.252 8.143 -2.054 . . . 1.0 . . . . . . . . . . . . A . 6 DTR NE1 . . . . . . . . . rr_1xy4 1
. 3 . 554 . 1 1 6 DTR O O 1.945 6.592 -0.990 . . . 1.0 . . . . . . . . . . . . A . 6 DTR O . . . . . . . . . rr_1xy4 1
. 3 . 555 . 1 1 7 IAM C C 3.720 4.969 -1.799 . . . 1.0 . . . . . . . . . . . . A . 7 IAM C . . . . . . . . . rr_1xy4 1
. 3 . 556 . 1 1 7 IAM CA C 2.717 4.761 -2.933 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CA . . . . . . . . . rr_1xy4 1
. 3 . 557 . 1 1 7 IAM CB C 2.994 5.780 -4.039 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CB . . . . . . . . . rr_1xy4 1
. 3 . 558 . 1 1 7 IAM CD1 C 1.754 6.088 -6.193 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD1 . . . . . . . . . rr_1xy4 1
. 3 . 559 . 1 1 7 IAM CD2 C 3.029 4.127 -5.918 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD2 . . . . . . . . . rr_1xy4 1
. 3 . 560 . 1 1 7 IAM CE1 C 1.367 5.656 -7.489 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE1 . . . . . . . . . rr_1xy4 1
. 3 . 561 . 1 1 7 IAM CE2 C 2.644 3.694 -7.216 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE2 . . . . . . . . . rr_1xy4 1
. 3 . 562 . 1 1 7 IAM CG C 2.577 5.314 -5.435 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CG . . . . . . . . . rr_1xy4 1
. 3 . 563 . 1 1 7 IAM CI C -0.888 2.937 -8.943 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CI . . . . . . . . . rr_1xy4 1
. 3 . 564 . 1 1 7 IAM CK1 C -2.343 3.411 -8.769 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK1 . . . . . . . . . rr_1xy4 1
. 3 . 565 . 1 1 7 IAM CK2 C -0.319 2.508 -7.578 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK2 . . . . . . . . . rr_1xy4 1
. 3 . 566 . 1 1 7 IAM CT C 1.402 4.000 -9.379 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CT . . . . . . . . . rr_1xy4 1
. 3 . 567 . 1 1 7 IAM CZ C 1.820 4.468 -7.972 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CZ . . . . . . . . . rr_1xy4 1
. 3 . 568 . 1 1 7 IAM H H 0.661 4.427 -2.917 . . . 1.0 . . . . . . . . . . . . A . 7 IAM H . . . . . . . . . rr_1xy4 1
. 3 . 569 . 1 1 7 IAM HA H 2.770 3.727 -3.277 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HA . . . . . . . . . rr_1xy4 1
. 3 . 570 . 1 1 7 IAM HB H 2.471 6.706 -3.806 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB . . . . . . . . . rr_1xy4 1
. 3 . 571 . 1 1 7 IAM HB1 H 4.059 6.011 -4.048 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB1 . . . . . . . . . rr_1xy4 1
. 3 . 572 . 1 1 7 IAM HD1 H 1.391 7.040 -5.805 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD1 . . . . . . . . . rr_1xy4 1
. 3 . 573 . 1 1 7 IAM HD2 H 3.688 3.506 -5.311 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD2 . . . . . . . . . rr_1xy4 1
. 3 . 574 . 1 1 7 IAM HE1 H 0.709 6.276 -8.098 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE1 . . . . . . . . . rr_1xy4 1
. 3 . 575 . 1 1 7 IAM HE2 H 3.007 2.742 -7.605 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE2 . . . . . . . . . rr_1xy4 1
. 3 . 576 . 1 1 7 IAM HH H -0.530 4.842 -9.953 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HH . . . . . . . . . rr_1xy4 1
. 3 . 577 . 1 1 7 IAM HI H -0.863 2.107 -9.617 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HI . . . . . . . . . rr_1xy4 1
. 3 . 578 . 1 1 7 IAM HK11 H -2.369 4.242 -8.093 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK11 . . . . . . . . . rr_1xy4 1
. 3 . 579 . 1 1 7 IAM HK12 H -2.737 3.710 -9.716 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK12 . . . . . . . . . rr_1xy4 1
. 3 . 580 . 1 1 7 IAM HK13 H -2.934 2.612 -8.371 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK13 . . . . . . . . . rr_1xy4 1
. 3 . 581 . 1 1 7 IAM HK21 H 0.691 2.179 -7.701 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK21 . . . . . . . . . rr_1xy4 1
. 3 . 582 . 1 1 7 IAM HK22 H -0.343 3.337 -6.904 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK22 . . . . . . . . . rr_1xy4 1
. 3 . 583 . 1 1 7 IAM HK23 H -0.908 1.709 -7.180 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK23 . . . . . . . . . rr_1xy4 1
. 3 . 584 . 1 1 7 IAM HT1 H 1.746 2.998 -9.538 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT1 . . . . . . . . . rr_1xy4 1
. 3 . 585 . 1 1 7 IAM HT2 H 1.834 4.648 -10.114 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT2 . . . . . . . . . rr_1xy4 1
. 3 . 586 . 1 1 7 IAM N N 1.356 4.991 -2.475 . . . 1.0 . . . . . . . . . . . . A . 7 IAM N . . . . . . . . . rr_1xy4 1
. 3 . 587 . 1 1 7 IAM NH N -0.071 4.042 -9.492 . . . 1.0 . . . . . . . . . . . . A . 7 IAM NH . . . . . . . . . rr_1xy4 1
. 3 . 588 . 1 1 7 IAM O O 4.697 5.702 -1.955 . . . 1.0 . . . . . . . . . . . . A . 7 IAM O . . . . . . . . . rr_1xy4 1
. 3 . 589 . 1 1 8 THR C C 4.554 3.037 1.093 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . rr_1xy4 1
. 3 . 590 . 1 1 8 THR CA C 4.315 4.419 0.480 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . rr_1xy4 1
. 3 . 591 . 1 1 8 THR CB C 3.682 5.414 1.455 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . rr_1xy4 1
. 3 . 592 . 1 1 8 THR CG2 C 2.431 4.854 2.135 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . rr_1xy4 1
. 3 . 593 . 1 1 8 THR H H 2.651 3.720 -0.561 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . rr_1xy4 1
. 3 . 594 . 1 1 8 THR HA H 5.285 4.796 0.153 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . rr_1xy4 1
. 3 . 595 . 1 1 8 THR HB H 3.465 6.360 0.959 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . rr_1xy4 1
. 3 . 596 . 1 1 8 THR HG1 H 4.824 4.614 2.891 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . rr_1xy4 1
. 3 . 597 . 1 1 8 THR HG21 H 2.316 5.312 3.117 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . rr_1xy4 1
. 3 . 598 . 1 1 8 THR HG22 H 1.556 5.077 1.525 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . rr_1xy4 1
. 3 . 599 . 1 1 8 THR HG23 H 2.531 3.774 2.247 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . rr_1xy4 1
. 3 . 600 . 1 1 8 THR N N 3.447 4.313 -0.680 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . rr_1xy4 1
. 3 . 601 . 1 1 8 THR O O 4.541 2.029 0.388 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . rr_1xy4 1
. 3 . 602 . 1 1 8 THR OG1 O 4.634 5.519 2.511 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . rr_1xy4 1
. 3 . 603 . 1 1 9 PHE C C 4.045 0.698 2.659 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . rr_1xy4 1
. 3 . 604 . 1 1 9 PHE CA C 5.011 1.794 3.117 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . rr_1xy4 1
. 3 . 605 . 1 1 9 PHE CB C 4.773 2.080 4.601 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . rr_1xy4 1
. 3 . 606 . 1 1 9 PHE CD1 C 2.379 2.747 4.910 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . rr_1xy4 1
. 3 . 607 . 1 1 9 PHE CD2 C 4.025 4.426 5.058 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . rr_1xy4 1
. 3 . 608 . 1 1 9 PHE CE1 C 1.369 3.714 5.155 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . rr_1xy4 1
. 3 . 609 . 1 1 9 PHE CE2 C 3.015 5.394 5.304 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . rr_1xy4 1
. 3 . 610 . 1 1 9 PHE CG C 3.685 3.122 4.867 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . rr_1xy4 1
. 3 . 611 . 1 1 9 PHE CZ C 1.709 5.018 5.348 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . rr_1xy4 1
. 3 . 612 . 1 1 9 PHE H H 4.777 3.859 2.968 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . rr_1xy4 1
. 3 . 613 . 1 1 9 PHE HA H 6.034 1.487 2.897 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . rr_1xy4 1
. 3 . 614 . 1 1 9 PHE HB2 H 4.501 1.150 5.101 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . rr_1xy4 1
. 3 . 615 . 1 1 9 PHE HB3 H 5.707 2.422 5.050 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . rr_1xy4 1
. 3 . 616 . 1 1 9 PHE HD1 H 2.107 1.703 4.757 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . rr_1xy4 1
. 3 . 617 . 1 1 9 PHE HD2 H 5.072 4.726 5.024 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . rr_1xy4 1
. 3 . 618 . 1 1 9 PHE HE1 H 0.322 3.414 5.190 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . rr_1xy4 1
. 3 . 619 . 1 1 9 PHE HE2 H 3.288 6.438 5.459 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . rr_1xy4 1
. 3 . 620 . 1 1 9 PHE HZ H 0.935 5.760 5.537 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . rr_1xy4 1
. 3 . 621 . 1 1 9 PHE N N 4.769 3.034 2.401 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . rr_1xy4 1
. 3 . 622 . 1 1 9 PHE O O 2.970 0.992 2.138 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . rr_1xy4 1
. 3 . 623 . 1 1 10 LYS C C 3.133 -2.381 3.744 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_1xy4 1
. 3 . 624 . 1 1 10 LYS CA C 3.650 -1.681 2.486 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_1xy4 1
. 3 . 625 . 1 1 10 LYS CB C 4.428 -2.602 1.544 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_1xy4 1
. 3 . 626 . 1 1 10 LYS CD C 4.348 -2.018 -0.908 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_1xy4 1
. 3 . 627 . 1 1 10 LYS CE C 4.555 -3.441 -1.427 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_1xy4 1
. 3 . 628 . 1 1 10 LYS CG C 5.086 -1.805 0.416 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_1xy4 1
. 3 . 629 . 1 1 10 LYS H H 5.340 -0.771 3.294 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_1xy4 1
. 3 . 630 . 1 1 10 LYS HA H 2.795 -1.298 1.929 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_1xy4 1
. 3 . 631 . 1 1 10 LYS HB2 H 5.191 -3.142 2.106 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_1xy4 1
. 3 . 632 . 1 1 10 LYS HB3 H 3.757 -3.349 1.123 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_1xy4 1
. 3 . 633 . 1 1 10 LYS HD2 H 3.283 -1.829 -0.769 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_1xy4 1
. 3 . 634 . 1 1 10 LYS HD3 H 4.705 -1.301 -1.647 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_1xy4 1
. 3 . 635 . 1 1 10 LYS HE2 H 5.496 -3.501 -1.975 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_1xy4 1
. 3 . 636 . 1 1 10 LYS HE3 H 4.630 -4.134 -0.589 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_1xy4 1
. 3 . 637 . 1 1 10 LYS HG2 H 5.091 -0.745 0.669 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_1xy4 1
. 3 . 638 . 1 1 10 LYS HG3 H 6.127 -2.111 0.309 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_1xy4 1
. 3 . 639 . 1 1 10 LYS HZ3 H 2.803 -4.469 -1.797 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_1xy4 1
. 3 . 640 . 1 1 10 LYS N N 4.463 -0.541 2.871 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_1xy4 1
. 3 . 641 . 1 1 10 LYS NZ N 3.436 -3.838 -2.309 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_1xy4 1
. 3 . 642 . 1 1 10 LYS O O 3.780 -2.339 4.791 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_1xy4 1
. 3 . 643 . 1 1 11 SER C C 1.476 -5.229 4.495 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_1xy4 1
. 3 . 644 . 1 1 11 SER CA C 1.366 -3.719 4.714 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_1xy4 1
. 3 . 645 . 1 1 11 SER CB C -0.107 -3.276 4.896 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_1xy4 1
. 3 . 646 . 1 1 11 SER H H 1.457 -3.039 2.747 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_1xy4 1
. 3 . 647 . 1 1 11 SER HA H 1.918 -3.489 5.645 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_1xy4 1
. 3 . 648 . 1 1 11 SER HB2 H -0.404 -2.616 4.056 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_1xy4 1
. 3 . 649 . 1 1 11 SER HB3 H -0.795 -4.141 4.836 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_1xy4 1
. 3 . 650 . 1 1 11 SER HG H -0.139 -3.179 6.840 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_1xy4 1
. 3 . 651 . 1 1 11 SER N N 1.977 -3.009 3.601 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_1xy4 1
. 3 . 652 . 1 1 11 SER O O 2.368 -5.876 5.043 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_1xy4 1
. 3 . 653 . 1 1 11 SER OG O -0.330 -2.570 6.122 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_1xy4 1
. 3 . 654 . 1 1 12 CYS C C 0.789 -7.935 4.696 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_1xy4 1
. 3 . 655 . 1 1 12 CYS CA C 0.541 -7.169 3.396 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_1xy4 1
. 3 . 656 . 1 1 12 CYS CB C 1.560 -7.533 2.314 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_1xy4 1
. 3 . 657 . 1 1 12 CYS H H -0.164 -5.214 3.252 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_1xy4 1
. 3 . 658 . 1 1 12 CYS HA H -0.449 -7.393 2.998 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_1xy4 1
. 3 . 659 . 1 1 12 CYS HB2 H 1.579 -6.736 1.570 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_1xy4 1
. 3 . 660 . 1 1 12 CYS HB3 H 2.551 -7.569 2.767 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_1xy4 1
. 3 . 661 . 1 1 12 CYS N N 0.557 -5.748 3.693 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_1xy4 1
. 3 . 662 . 1 1 12 CYS O O 1.611 -8.967 4.701 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_1xy4 1
. 3 . 663 . 1 1 12 CYS SG S 1.244 -9.123 1.464 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_1xy4 1
. 4 . 664 . 1 1 1 TYR C C -3.165 -7.014 1.250 . . . 1.0 . . . . . . . . . . . . A . 1 TYR C . . . . . . . . . rr_1xy4 1
. 4 . 665 . 1 1 1 TYR CA C -4.308 -8.020 1.403 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CA . . . . . . . . . rr_1xy4 1
. 4 . 666 . 1 1 1 TYR CB C -4.985 -8.217 0.046 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CB . . . . . . . . . rr_1xy4 1
. 4 . 667 . 1 1 1 TYR CD1 C -6.465 -6.181 -0.090 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD1 . . . . . . . . . rr_1xy4 1
. 4 . 668 . 1 1 1 TYR CD2 C -7.497 -8.336 -0.142 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD2 . . . . . . . . . rr_1xy4 1
. 4 . 669 . 1 1 1 TYR CE1 C -7.760 -5.559 -0.195 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE1 . . . . . . . . . rr_1xy4 1
. 4 . 670 . 1 1 1 TYR CE2 C -8.791 -7.716 -0.246 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE2 . . . . . . . . . rr_1xy4 1
. 4 . 671 . 1 1 1 TYR CG C -6.361 -7.556 -0.066 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CG . . . . . . . . . rr_1xy4 1
. 4 . 672 . 1 1 1 TYR CZ C -8.859 -6.357 -0.268 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CZ . . . . . . . . . rr_1xy4 1
. 4 . 673 . 1 1 1 TYR H1 H -6.237 -7.960 2.072 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H1 . . . . . . . . . rr_1xy4 1
. 4 . 674 . 1 1 1 TYR H2 H -5.080 -7.718 3.269 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H2 . . . . . . . . . rr_1xy4 1
. 4 . 675 . 1 1 1 TYR H3 H -5.158 -6.601 2.669 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H3 . . . . . . . . . rr_1xy4 1
. 4 . 676 . 1 1 1 TYR HA H -3.915 -8.942 1.835 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HA . . . . . . . . . rr_1xy4 1
. 4 . 677 . 1 1 1 TYR HB2 H -4.337 -7.815 -0.734 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB2 . . . . . . . . . rr_1xy4 1
. 4 . 678 . 1 1 1 TYR HB3 H -5.090 -9.285 -0.146 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB3 . . . . . . . . . rr_1xy4 1
. 4 . 679 . 1 1 1 TYR HD1 H -5.568 -5.564 -0.031 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD1 . . . . . . . . . rr_1xy4 1
. 4 . 680 . 1 1 1 TYR HD2 H -7.413 -9.423 -0.122 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD2 . . . . . . . . . rr_1xy4 1
. 4 . 681 . 1 1 1 TYR HE1 H -7.858 -4.473 -0.217 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE1 . . . . . . . . . rr_1xy4 1
. 4 . 682 . 1 1 1 TYR HE2 H -9.696 -8.320 -0.308 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE2 . . . . . . . . . rr_1xy4 1
. 4 . 683 . 1 1 1 TYR HH H -10.801 -6.459 -0.272 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HH . . . . . . . . . rr_1xy4 1
. 4 . 684 . 1 1 1 TYR N N -5.337 -7.511 2.294 . . . 1.0 . . . . . . . . . . . . A . 1 TYR N . . . . . . . . . rr_1xy4 1
. 4 . 685 . 1 1 1 TYR O O -3.062 -6.067 2.027 . . . 1.0 . . . . . . . . . . . . A . 1 TYR O . . . . . . . . . rr_1xy4 1
. 4 . 686 . 1 1 1 TYR OH O -10.083 -5.770 -0.367 . . . 1.0 . . . . . . . . . . . . A . 1 TYR OH . . . . . . . . . rr_1xy4 1
. 4 . 687 . 1 1 2 CYS C C -1.745 -4.992 -0.366 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_1xy4 1
. 4 . 688 . 1 1 2 CYS CA C -1.207 -6.381 -0.022 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_1xy4 1
. 4 . 689 . 1 1 2 CYS CB C -0.310 -6.937 -1.129 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_1xy4 1
. 4 . 690 . 1 1 2 CYS H H -2.431 -8.028 -0.384 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_1xy4 1
. 4 . 691 . 1 1 2 CYS HA H -0.617 -6.351 0.892 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_1xy4 1
. 4 . 692 . 1 1 2 CYS HB2 H -0.772 -7.838 -1.534 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_1xy4 1
. 4 . 693 . 1 1 2 CYS HB3 H -0.264 -6.211 -1.941 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_1xy4 1
. 4 . 694 . 1 1 2 CYS N N -2.338 -7.255 0.243 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_1xy4 1
. 4 . 695 . 1 1 2 CYS O O -2.582 -4.849 -1.258 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_1xy4 1
. 4 . 696 . 1 1 2 CYS SG S 1.397 -7.338 -0.604 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_1xy4 1
. 4 . 697 . 1 1 3 LYS C C -0.456 -1.701 0.285 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . rr_1xy4 1
. 4 . 698 . 1 1 3 LYS CA C -1.664 -2.628 0.137 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . rr_1xy4 1
. 4 . 699 . 1 1 3 LYS CB C -2.830 -2.269 1.060 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . rr_1xy4 1
. 4 . 700 . 1 1 3 LYS CD C -3.585 -2.060 3.458 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . rr_1xy4 1
. 4 . 701 . 1 1 3 LYS CE C -4.271 -3.227 4.170 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . rr_1xy4 1
. 4 . 702 . 1 1 3 LYS CG C -2.485 -2.562 2.522 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . rr_1xy4 1
. 4 . 703 . 1 1 3 LYS H H -0.564 -4.125 1.079 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . rr_1xy4 1
. 4 . 704 . 1 1 3 LYS HA H -2.030 -2.557 -0.886 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . rr_1xy4 1
. 4 . 705 . 1 1 3 LYS HB2 H -3.078 -1.214 0.947 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . rr_1xy4 1
. 4 . 706 . 1 1 3 LYS HB3 H -3.715 -2.836 0.772 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . rr_1xy4 1
. 4 . 707 . 1 1 3 LYS HD2 H -3.160 -1.379 4.194 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . rr_1xy4 1
. 4 . 708 . 1 1 3 LYS HD3 H -4.322 -1.494 2.888 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . rr_1xy4 1
. 4 . 709 . 1 1 3 LYS HE2 H -3.663 -4.126 4.078 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . rr_1xy4 1
. 4 . 710 . 1 1 3 LYS HE3 H -4.361 -3.010 5.234 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . rr_1xy4 1
. 4 . 711 . 1 1 3 LYS HG2 H -2.345 -3.634 2.659 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . rr_1xy4 1
. 4 . 712 . 1 1 3 LYS HG3 H -1.539 -2.082 2.778 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . rr_1xy4 1
. 4 . 713 . 1 1 3 LYS HZ1 H -6.222 -3.959 4.241 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . rr_1xy4 1
. 4 . 714 . 1 1 3 LYS HZ2 H -6.084 -2.603 3.351 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . rr_1xy4 1
. 4 . 715 . 1 1 3 LYS N N -1.244 -4.001 0.356 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . rr_1xy4 1
. 4 . 716 . 1 1 3 LYS NZ N -5.614 -3.468 3.595 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . rr_1xy4 1
. 4 . 717 . 1 1 3 LYS O O 0.068 -1.527 1.384 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . rr_1xy4 1
. 4 . 718 . 1 1 4 . C C 0.636 1.202 -0.527 . . . 1.0 . . . . . . . . . . . . A . 4 ILG C . . . . . . . . . rr_1xy4 1
. 4 . 719 . 1 1 4 . CA C 1.089 -0.223 -0.847 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CA . . . . . . . . . rr_1xy4 1
. 4 . 720 . 1 1 4 . CB C 1.833 -0.284 -2.210 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CB . . . . . . . . . rr_1xy4 1
. 4 . 721 . 1 1 4 . CD C 2.842 -1.843 -4.112 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CD . . . . . . . . . rr_1xy4 1
. 4 . 722 . 1 1 4 . CG C 1.862 -1.662 -2.950 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CG . . . . . . . . . rr_1xy4 1
. 4 . 723 . 1 1 4 . H H -0.479 -1.274 -1.729 . . . 1.0 . . . . . . . . . . . . A . 4 ILG H . . . . . . . . . rr_1xy4 1
. 4 . 724 . 1 1 4 . HA H 1.768 -0.550 -0.039 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HA . . . . . . . . . rr_1xy4 1
. 4 . 725 . 1 1 4 . HB2 H 1.391 0.468 -2.891 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB2 . . . . . . . . . rr_1xy4 1
. 4 . 726 . 1 1 4 . HB3 H 2.874 0.065 -2.061 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB3 . . . . . . . . . rr_1xy4 1
. 4 . 727 . 1 1 4 . HG2 H 2.075 -2.470 -2.226 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG2 . . . . . . . . . rr_1xy4 1
. 4 . 728 . 1 1 4 . HG3 H 0.856 -1.906 -3.340 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG3 . . . . . . . . . rr_1xy4 1
. 4 . 729 . 1 1 4 . N N -0.047 -1.128 -0.839 . . . 1.0 . . . . . . . . . . . . A . 4 ILG N . . . . . . . . . rr_1xy4 1
. 4 . 730 . 1 1 4 . O O 1.402 2.152 -0.684 . . . 1.0 . . . . . . . . . . . . A . 4 ILG O . . . . . . . . . rr_1xy4 1
. 4 . 731 . 1 1 4 . OE1 O 2.957 -2.893 -4.729 . . . 1.0 . . . . . . . . . . . . A . 4 ILG OE1 . . . . . . . . . rr_1xy4 1
. 4 . 732 . 1 1 5 PHE C C -0.793 3.659 -0.772 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . rr_1xy4 1
. 4 . 733 . 1 1 5 PHE CA C -1.173 2.600 0.263 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . rr_1xy4 1
. 4 . 734 . 1 1 5 PHE CB C -0.588 2.996 1.620 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . rr_1xy4 1
. 4 . 735 . 1 1 5 PHE CD1 C -1.999 1.914 3.382 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . rr_1xy4 1
. 4 . 736 . 1 1 5 PHE CD2 C 0.178 1.081 3.040 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . rr_1xy4 1
. 4 . 737 . 1 1 5 PHE CE1 C -2.206 0.949 4.404 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . rr_1xy4 1
. 4 . 738 . 1 1 5 PHE CE2 C -0.029 0.117 4.061 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . rr_1xy4 1
. 4 . 739 . 1 1 5 PHE CG C -0.811 1.959 2.721 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . rr_1xy4 1
. 4 . 740 . 1 1 5 PHE CZ C -1.218 0.073 4.722 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . rr_1xy4 1
. 4 . 741 . 1 1 5 PHE H H -1.225 0.530 0.044 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . rr_1xy4 1
. 4 . 742 . 1 1 5 PHE HA H -2.258 2.485 0.280 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . rr_1xy4 1
. 4 . 743 . 1 1 5 PHE HB2 H 0.484 3.168 1.505 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . rr_1xy4 1
. 4 . 744 . 1 1 5 PHE HB3 H -1.029 3.943 1.931 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . rr_1xy4 1
. 4 . 745 . 1 1 5 PHE HD1 H -2.791 2.618 3.127 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . rr_1xy4 1
. 4 . 746 . 1 1 5 PHE HD2 H 1.130 1.118 2.510 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . rr_1xy4 1
. 4 . 747 . 1 1 5 PHE HE1 H -3.159 0.914 4.934 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . rr_1xy4 1
. 4 . 748 . 1 1 5 PHE HE2 H 0.764 -0.587 4.316 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . rr_1xy4 1
. 4 . 749 . 1 1 5 PHE HZ H -1.376 -0.667 5.508 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . rr_1xy4 1
. 4 . 750 . 1 1 5 PHE N N -0.608 1.307 -0.082 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . rr_1xy4 1
. 4 . 751 . 1 1 5 PHE O O -0.420 3.328 -1.897 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . rr_1xy4 1
. 4 . 752 . 1 1 6 DTR C C 0.919 5.931 -1.576 . . . 1.0 . . . . . . . . . . . . A . 6 DTR C . . . . . . . . . rr_1xy4 1
. 4 . 753 . 1 1 6 DTR CA C -0.570 6.023 -1.238 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CA . . . . . . . . . rr_1xy4 1
. 4 . 754 . 1 1 6 DTR CB C -1.473 5.883 -2.465 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CB . . . . . . . . . rr_1xy4 1
. 4 . 755 . 1 1 6 DTR CD1 C -3.720 7.059 -1.983 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD1 . . . . . . . . . rr_1xy4 1
. 4 . 756 . 1 1 6 DTR CD2 C -2.437 8.174 -3.404 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD2 . . . . . . . . . rr_1xy4 1
. 4 . 757 . 1 1 6 DTR CE2 C -3.596 8.903 -3.234 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE2 . . . . . . . . . rr_1xy4 1
. 4 . 758 . 1 1 6 DTR CE3 C -1.409 8.617 -4.253 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE3 . . . . . . . . . rr_1xy4 1
. 4 . 759 . 1 1 6 DTR CG C -2.528 6.984 -2.591 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CG . . . . . . . . . rr_1xy4 1
. 4 . 760 . 1 1 6 DTR CH2 C -2.828 10.583 -4.734 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CH2 . . . . . . . . . rr_1xy4 1
. 4 . 761 . 1 1 6 DTR CZ2 C -3.837 10.120 -3.884 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ2 . . . . . . . . . rr_1xy4 1
. 4 . 762 . 1 1 6 DTR CZ3 C -1.666 9.836 -4.893 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ3 . . . . . . . . . rr_1xy4 1
. 4 . 763 . 1 1 6 DTR H H -1.203 5.175 0.557 . . . 1.0 . . . . . . . . . . . . A . 6 DTR H . . . . . . . . . rr_1xy4 1
. 4 . 764 . 1 1 6 DTR HA H -0.775 6.932 -0.674 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HA . . . . . . . . . rr_1xy4 1
. 4 . 765 . 1 1 6 DTR HB2 H -0.853 5.883 -3.362 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB2 . . . . . . . . . rr_1xy4 1
. 4 . 766 . 1 1 6 DTR HB3 H -1.976 4.916 -2.426 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB3 . . . . . . . . . rr_1xy4 1
. 4 . 767 . 1 1 6 DTR HD1 H -4.104 6.310 -1.290 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HD1 . . . . . . . . . rr_1xy4 1
. 4 . 768 . 1 1 6 DTR HE1 H -5.389 8.504 -1.993 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE1 . . . . . . . . . rr_1xy4 1
. 4 . 769 . 1 1 6 DTR HE3 H -0.485 8.058 -4.401 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE3 . . . . . . . . . rr_1xy4 1
. 4 . 770 . 1 1 6 DTR HH2 H -2.951 11.524 -5.270 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HH2 . . . . . . . . . rr_1xy4 1
. 4 . 771 . 1 1 6 DTR HZ2 H -4.762 10.678 -3.733 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ2 . . . . . . . . . rr_1xy4 1
. 4 . 772 . 1 1 6 DTR HZ3 H -0.901 10.227 -5.566 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ3 . . . . . . . . . rr_1xy4 1
. 4 . 773 . 1 1 6 DTR N N -0.900 4.913 -0.357 . . . 1.0 . . . . . . . . . . . . A . 6 DTR N . . . . . . . . . rr_1xy4 1
. 4 . 774 . 1 1 6 DTR NE1 N -4.402 8.203 -2.343 . . . 1.0 . . . . . . . . . . . . A . 6 DTR NE1 . . . . . . . . . rr_1xy4 1
. 4 . 775 . 1 1 6 DTR O O 1.736 6.643 -0.993 . . . 1.0 . . . . . . . . . . . . A . 6 DTR O . . . . . . . . . rr_1xy4 1
. 4 . 776 . 1 1 7 IAM C C 3.572 5.104 -1.783 . . . 1.0 . . . . . . . . . . . . A . 7 IAM C . . . . . . . . . rr_1xy4 1
. 4 . 777 . 1 1 7 IAM CA C 2.602 4.857 -2.940 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CA . . . . . . . . . rr_1xy4 1
. 4 . 778 . 1 1 7 IAM CB C 2.879 5.878 -4.046 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CB . . . . . . . . . rr_1xy4 1
. 4 . 779 . 1 1 7 IAM CD1 C 3.402 4.545 -6.101 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD1 . . . . . . . . . rr_1xy4 1
. 4 . 780 . 1 1 7 IAM CD2 C 1.387 5.763 -6.053 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD2 . . . . . . . . . rr_1xy4 1
. 4 . 781 . 1 1 7 IAM CE1 C 3.091 4.079 -7.406 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE1 . . . . . . . . . rr_1xy4 1
. 4 . 782 . 1 1 7 IAM CE2 C 1.075 5.297 -7.359 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE2 . . . . . . . . . rr_1xy4 1
. 4 . 783 . 1 1 7 IAM CG C 2.544 5.376 -5.452 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CG . . . . . . . . . rr_1xy4 1
. 4 . 784 . 1 1 7 IAM CI C -0.518 2.535 -9.193 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CI . . . . . . . . . rr_1xy4 1
. 4 . 785 . 1 1 7 IAM CK1 C -1.832 2.820 -8.440 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK1 . . . . . . . . . rr_1xy4 1
. 4 . 786 . 1 1 7 IAM CK2 C 0.423 1.716 -8.292 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK2 . . . . . . . . . rr_1xy4 1
. 4 . 787 . 1 1 7 IAM CT C 1.598 3.961 -9.422 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CT . . . . . . . . . rr_1xy4 1
. 4 . 788 . 1 1 7 IAM CZ C 1.935 4.467 -8.008 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CZ . . . . . . . . . rr_1xy4 1
. 4 . 789 . 1 1 7 IAM H H 0.556 4.476 -2.986 . . . 1.0 . . . . . . . . . . . . A . 7 IAM H . . . . . . . . . rr_1xy4 1
. 4 . 790 . 1 1 7 IAM HA H 2.695 3.825 -3.275 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HA . . . . . . . . . rr_1xy4 1
. 4 . 791 . 1 1 7 IAM HB H 2.301 6.780 -3.847 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB . . . . . . . . . rr_1xy4 1
. 4 . 792 . 1 1 7 IAM HB1 H 3.930 6.159 -4.013 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB1 . . . . . . . . . rr_1xy4 1
. 4 . 793 . 1 1 7 IAM HD1 H 4.330 4.237 -5.618 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD1 . . . . . . . . . rr_1xy4 1
. 4 . 794 . 1 1 7 IAM HD2 H 0.698 6.429 -5.535 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD2 . . . . . . . . . rr_1xy4 1
. 4 . 795 . 1 1 7 IAM HE1 H 3.780 3.413 -7.926 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE1 . . . . . . . . . rr_1xy4 1
. 4 . 796 . 1 1 7 IAM HE2 H 0.147 5.605 -7.841 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE2 . . . . . . . . . rr_1xy4 1
. 4 . 797 . 1 1 7 IAM HH H -0.437 4.602 -9.894 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HH . . . . . . . . . rr_1xy4 1
. 4 . 798 . 1 1 7 IAM HI H -0.732 1.981 -10.084 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HI . . . . . . . . . rr_1xy4 1
. 4 . 799 . 1 1 7 IAM HK11 H -1.619 3.375 -7.549 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK11 . . . . . . . . . rr_1xy4 1
. 4 . 800 . 1 1 7 IAM HK12 H -2.485 3.390 -9.067 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK12 . . . . . . . . . rr_1xy4 1
. 4 . 801 . 1 1 7 IAM HK13 H -2.303 1.896 -8.179 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK13 . . . . . . . . . rr_1xy4 1
. 4 . 802 . 1 1 7 IAM HK21 H 1.335 1.519 -8.815 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK21 . . . . . . . . . rr_1xy4 1
. 4 . 803 . 1 1 7 IAM HK22 H 0.638 2.269 -7.401 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK22 . . . . . . . . . rr_1xy4 1
. 4 . 804 . 1 1 7 IAM HK23 H -0.045 0.791 -8.030 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK23 . . . . . . . . . rr_1xy4 1
. 4 . 805 . 1 1 7 IAM HT1 H 2.069 3.013 -9.584 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT1 . . . . . . . . . rr_1xy4 1
. 4 . 806 . 1 1 7 IAM HT2 H 1.950 4.666 -10.148 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT2 . . . . . . . . . rr_1xy4 1
. 4 . 807 . 1 1 7 IAM N N 1.226 5.051 -2.517 . . . 1.0 . . . . . . . . . . . . A . 7 IAM N . . . . . . . . . rr_1xy4 1
. 4 . 808 . 1 1 7 IAM NH N 0.132 3.813 -9.552 . . . 1.0 . . . . . . . . . . . . A . 7 IAM NH . . . . . . . . . rr_1xy4 1
. 4 . 809 . 1 1 7 IAM O O 4.495 5.910 -1.901 . . . 1.0 . . . . . . . . . . . . A . 7 IAM O . . . . . . . . . rr_1xy4 1
. 4 . 810 . 1 1 8 THR C C 4.541 3.147 1.035 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . rr_1xy4 1
. 4 . 811 . 1 1 8 THR CA C 4.171 4.527 0.489 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . rr_1xy4 1
. 4 . 812 . 1 1 8 THR CB C 3.433 5.402 1.503 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . rr_1xy4 1
. 4 . 813 . 1 1 8 THR CG2 C 2.205 4.705 2.097 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . rr_1xy4 1
. 4 . 814 . 1 1 8 THR H H 2.579 3.741 -0.601 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . rr_1xy4 1
. 4 . 815 . 1 1 8 THR HA H 5.101 5.014 0.195 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . rr_1xy4 1
. 4 . 816 . 1 1 8 THR HB H 3.159 6.362 1.061 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . rr_1xy4 1
. 4 . 817 . 1 1 8 THR HG1 H 4.584 4.593 2.924 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . rr_1xy4 1
. 4 . 818 . 1 1 8 THR HG21 H 2.024 5.086 3.101 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . rr_1xy4 1
. 4 . 819 . 1 1 8 THR HG22 H 1.336 4.904 1.471 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . rr_1xy4 1
. 4 . 820 . 1 1 8 THR HG23 H 2.386 3.631 2.141 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . rr_1xy4 1
. 4 . 821 . 1 1 8 THR N N 3.331 4.395 -0.689 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . rr_1xy4 1
. 4 . 822 . 1 1 8 THR O O 4.775 2.213 0.270 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . rr_1xy4 1
. 4 . 823 . 1 1 8 THR OG1 O 4.338 5.505 2.598 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . rr_1xy4 1
. 4 . 824 . 1 1 9 PHE C C 4.062 0.662 2.487 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . rr_1xy4 1
. 4 . 825 . 1 1 9 PHE CA C 4.922 1.811 3.017 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . rr_1xy4 1
. 4 . 826 . 1 1 9 PHE CB C 4.637 2.001 4.508 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . rr_1xy4 1
. 4 . 827 . 1 1 9 PHE CD1 C 2.151 2.219 4.706 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . rr_1xy4 1
. 4 . 828 . 1 1 9 PHE CD2 C 3.470 4.119 5.158 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . rr_1xy4 1
. 4 . 829 . 1 1 9 PHE CE1 C 0.977 2.970 4.979 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . rr_1xy4 1
. 4 . 830 . 1 1 9 PHE CE2 C 2.296 4.869 5.432 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . rr_1xy4 1
. 4 . 831 . 1 1 9 PHE CG C 3.372 2.810 4.802 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . rr_1xy4 1
. 4 . 832 . 1 1 9 PHE CZ C 1.074 4.278 5.336 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . rr_1xy4 1
. 4 . 833 . 1 1 9 PHE H H 4.393 3.827 2.973 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . rr_1xy4 1
. 4 . 834 . 1 1 9 PHE HA H 5.971 1.606 2.801 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . rr_1xy4 1
. 4 . 835 . 1 1 9 PHE HB2 H 4.548 1.021 4.978 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . rr_1xy4 1
. 4 . 836 . 1 1 9 PHE HB3 H 5.490 2.499 4.970 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . rr_1xy4 1
. 4 . 837 . 1 1 9 PHE HD1 H 2.073 1.170 4.421 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . rr_1xy4 1
. 4 . 838 . 1 1 9 PHE HD2 H 4.450 4.591 5.234 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . rr_1xy4 1
. 4 . 839 . 1 1 9 PHE HE1 H -0.003 2.497 4.902 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . rr_1xy4 1
. 4 . 840 . 1 1 9 PHE HE2 H 2.374 5.918 5.718 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . rr_1xy4 1
. 4 . 841 . 1 1 9 PHE HZ H 0.172 4.855 5.546 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . rr_1xy4 1
. 4 . 842 . 1 1 9 PHE N N 4.584 3.062 2.358 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . rr_1xy4 1
. 4 . 843 . 1 1 9 PHE O O 3.142 0.882 1.701 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . rr_1xy4 1
. 4 . 844 . 1 1 10 LYS C C 3.075 -2.415 3.753 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_1xy4 1
. 4 . 845 . 1 1 10 LYS CA C 3.660 -1.723 2.521 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_1xy4 1
. 4 . 846 . 1 1 10 LYS CB C 4.552 -2.630 1.670 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_1xy4 1
. 4 . 847 . 1 1 10 LYS CD C 4.227 -2.271 -0.805 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_1xy4 1
. 4 . 848 . 1 1 10 LYS CE C 5.112 -2.374 -2.049 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_1xy4 1
. 4 . 849 . 1 1 10 LYS CG C 5.055 -1.894 0.426 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_1xy4 1
. 4 . 850 . 1 1 10 LYS H H 5.142 -0.708 3.580 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_1xy4 1
. 4 . 851 . 1 1 10 LYS HA H 2.839 -1.393 1.887 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_1xy4 1
. 4 . 852 . 1 1 10 LYS HB2 H 5.401 -2.970 2.264 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_1xy4 1
. 4 . 853 . 1 1 10 LYS HB3 H 3.995 -3.517 1.372 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_1xy4 1
. 4 . 854 . 1 1 10 LYS HD2 H 3.723 -3.221 -0.632 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_1xy4 1
. 4 . 855 . 1 1 10 LYS HD3 H 3.450 -1.525 -0.968 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_1xy4 1
. 4 . 856 . 1 1 10 LYS HE2 H 6.054 -1.855 -1.877 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_1xy4 1
. 4 . 857 . 1 1 10 LYS HE3 H 5.354 -3.419 -2.244 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_1xy4 1
. 4 . 858 . 1 1 10 LYS HG2 H 5.004 -0.818 0.589 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_1xy4 1
. 4 . 859 . 1 1 10 LYS HG3 H 6.103 -2.142 0.253 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_1xy4 1
. 4 . 860 . 1 1 10 LYS HZ3 H 4.061 -2.547 -3.819 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_1xy4 1
. 4 . 861 . 1 1 10 LYS N N 4.391 -0.537 2.939 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_1xy4 1
. 4 . 862 . 1 1 10 LYS NZ N 4.425 -1.791 -3.222 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_1xy4 1
. 4 . 863 . 1 1 10 LYS O O 3.734 -2.519 4.785 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_1xy4 1
. 4 . 864 . 1 1 11 SER C C 0.525 -4.853 4.179 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_1xy4 1
. 4 . 865 . 1 1 11 SER CA C 1.158 -3.557 4.689 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_1xy4 1
. 4 . 866 . 1 1 11 SER CB C 0.103 -2.623 5.333 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_1xy4 1
. 4 . 867 . 1 1 11 SER H H 1.310 -2.789 2.758 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_1xy4 1
. 4 . 868 . 1 1 11 SER HA H 1.893 -3.841 5.464 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_1xy4 1
. 4 . 869 . 1 1 11 SER HB2 H -0.450 -2.082 4.540 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_1xy4 1
. 4 . 870 . 1 1 11 SER HB3 H -0.670 -3.205 5.872 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_1xy4 1
. 4 . 871 . 1 1 11 SER HG H 1.091 -2.143 6.941 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_1xy4 1
. 4 . 872 . 1 1 11 SER N N 1.841 -2.875 3.602 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_1xy4 1
. 4 . 873 . 1 1 11 SER O O -0.697 -4.974 4.126 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_1xy4 1
. 4 . 874 . 1 1 11 SER OG O 0.680 -1.659 6.220 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_1xy4 1
. 4 . 875 . 1 1 12 CYS C C 0.561 -7.955 4.507 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_1xy4 1
. 4 . 876 . 1 1 12 CYS CA C 0.931 -7.075 3.312 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_1xy4 1
. 4 . 877 . 1 1 12 CYS CB C 1.979 -7.738 2.416 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_1xy4 1
. 4 . 878 . 1 1 12 CYS H H 2.382 -5.685 3.863 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_1xy4 1
. 4 . 879 . 1 1 12 CYS HA H 0.056 -6.874 2.695 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_1xy4 1
. 4 . 880 . 1 1 12 CYS HB2 H 2.686 -6.977 2.084 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_1xy4 1
. 4 . 881 . 1 1 12 CYS HB3 H 2.543 -8.457 3.012 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_1xy4 1
. 4 . 882 . 1 1 12 CYS N N 1.388 -5.791 3.815 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_1xy4 1
. 4 . 883 . 1 1 12 CYS O O -0.702 -8.279 4.715 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_1xy4 1
. 4 . 884 . 1 1 12 CYS SG S 1.305 -8.595 0.947 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_1xy4 1
. 5 . 885 . 1 1 1 TYR C C -2.419 -7.295 1.529 . . . 1.0 . . . . . . . . . . . . A . 1 TYR C . . . . . . . . . rr_1xy4 1
. 5 . 886 . 1 1 1 TYR CA C -3.593 -8.273 1.476 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CA . . . . . . . . . rr_1xy4 1
. 5 . 887 . 1 1 1 TYR CB C -4.440 -7.968 0.240 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CB . . . . . . . . . rr_1xy4 1
. 5 . 888 . 1 1 1 TYR CD1 C -5.835 -6.152 1.292 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD1 . . . . . . . . . rr_1xy4 1
. 5 . 889 . 1 1 1 TYR CD2 C -6.956 -7.891 0.095 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD2 . . . . . . . . . rr_1xy4 1
. 5 . 890 . 1 1 1 TYR CE1 C -7.105 -5.536 1.585 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE1 . . . . . . . . . rr_1xy4 1
. 5 . 891 . 1 1 1 TYR CE2 C -8.224 -7.276 0.388 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE2 . . . . . . . . . rr_1xy4 1
. 5 . 892 . 1 1 1 TYR CG C -5.788 -7.316 0.552 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CG . . . . . . . . . rr_1xy4 1
. 5 . 893 . 1 1 1 TYR CZ C -8.236 -6.130 1.119 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CZ . . . . . . . . . rr_1xy4 1
. 5 . 894 . 1 1 1 TYR H1 H -5.115 -7.307 2.437 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H1 . . . . . . . . . rr_1xy4 1
. 5 . 895 . 1 1 1 TYR H2 H -5.018 -8.951 2.773 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H2 . . . . . . . . . rr_1xy4 1
. 5 . 896 . 1 1 1 TYR H3 H -4.194 -7.374 3.257 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H3 . . . . . . . . . rr_1xy4 1
. 5 . 897 . 1 1 1 TYR HA H -3.209 -9.293 1.507 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HA . . . . . . . . . rr_1xy4 1
. 5 . 898 . 1 1 1 TYR HB2 H -3.876 -7.312 -0.423 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB2 . . . . . . . . . rr_1xy4 1
. 5 . 899 . 1 1 1 TYR HB3 H -4.616 -8.897 -0.305 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB3 . . . . . . . . . rr_1xy4 1
. 5 . 900 . 1 1 1 TYR HD1 H -4.914 -5.698 1.653 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD1 . . . . . . . . . rr_1xy4 1
. 5 . 901 . 1 1 1 TYR HD2 H -6.918 -8.810 -0.488 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD2 . . . . . . . . . rr_1xy4 1
. 5 . 902 . 1 1 1 TYR HE1 H -7.157 -4.617 2.167 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE1 . . . . . . . . . rr_1xy4 1
. 5 . 903 . 1 1 1 TYR HE2 H -9.154 -7.720 0.033 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE2 . . . . . . . . . rr_1xy4 1
. 5 . 904 . 1 1 1 TYR HH H -10.181 -6.156 1.118 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HH . . . . . . . . . rr_1xy4 1
. 5 . 905 . 1 1 1 TYR N N -4.473 -8.091 2.619 . . . 1.0 . . . . . . . . . . . . A . 1 TYR N . . . . . . . . . rr_1xy4 1
. 5 . 906 . 1 1 1 TYR O O -2.168 -6.674 2.560 . . . 1.0 . . . . . . . . . . . . A . 1 TYR O . . . . . . . . . rr_1xy4 1
. 5 . 907 . 1 1 1 TYR OH O -9.435 -5.550 1.397 . . . 1.0 . . . . . . . . . . . . A . 1 TYR OH . . . . . . . . . rr_1xy4 1
. 5 . 908 . 1 1 2 CYS C C -1.096 -4.898 -0.058 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_1xy4 1
. 5 . 909 . 1 1 2 CYS CA C -0.586 -6.294 0.306 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_1xy4 1
. 5 . 910 . 1 1 2 CYS CB C 0.448 -6.805 -0.699 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_1xy4 1
. 5 . 911 . 1 1 2 CYS H H -1.939 -7.696 -0.433 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_1xy4 1
. 5 . 912 . 1 1 2 CYS HA H -0.112 -6.290 1.288 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_1xy4 1
. 5 . 913 . 1 1 2 CYS HB2 H 0.091 -6.590 -1.707 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_1xy4 1
. 5 . 914 . 1 1 2 CYS HB3 H 1.374 -6.246 -0.563 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_1xy4 1
. 5 . 915 . 1 1 2 CYS N N -1.727 -7.187 0.403 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_1xy4 1
. 5 . 916 . 1 1 2 CYS O O -1.332 -4.606 -1.228 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_1xy4 1
. 5 . 917 . 1 1 2 CYS SG S 0.820 -8.594 -0.577 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_1xy4 1
. 5 . 918 . 1 1 3 LYS C C -0.536 -1.757 0.766 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . rr_1xy4 1
. 5 . 919 . 1 1 3 LYS CA C -1.728 -2.715 0.770 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . rr_1xy4 1
. 5 . 920 . 1 1 3 LYS CB C -2.795 -2.368 1.811 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . rr_1xy4 1
. 5 . 921 . 1 1 3 LYS CD C -5.305 -2.466 1.593 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . rr_1xy4 1
. 5 . 922 . 1 1 3 LYS CE C -5.601 -1.772 2.925 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . rr_1xy4 1
. 5 . 923 . 1 1 3 LYS CG C -4.012 -3.282 1.675 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . rr_1xy4 1
. 5 . 924 . 1 1 3 LYS H H -1.055 -4.319 1.918 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . rr_1xy4 1
. 5 . 925 . 1 1 3 LYS HA H -2.207 -2.677 -0.207 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . rr_1xy4 1
. 5 . 926 . 1 1 3 LYS HB2 H -2.375 -2.461 2.813 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . rr_1xy4 1
. 5 . 927 . 1 1 3 LYS HB3 H -3.099 -1.328 1.690 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . rr_1xy4 1
. 5 . 928 . 1 1 3 LYS HD2 H -5.217 -1.720 0.801 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . rr_1xy4 1
. 5 . 929 . 1 1 3 LYS HD3 H -6.136 -3.117 1.324 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . rr_1xy4 1
. 5 . 930 . 1 1 3 LYS HE2 H -4.700 -1.283 3.293 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . rr_1xy4 1
. 5 . 931 . 1 1 3 LYS HE3 H -6.351 -0.994 2.776 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . rr_1xy4 1
. 5 . 932 . 1 1 3 LYS HG2 H -3.910 -3.900 0.784 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . rr_1xy4 1
. 5 . 933 . 1 1 3 LYS HG3 H -4.061 -3.957 2.530 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . rr_1xy4 1
. 5 . 934 . 1 1 3 LYS HZ1 H -6.618 -2.309 4.662 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . rr_1xy4 1
. 5 . 935 . 1 1 3 LYS HZ2 H -6.691 -3.451 3.504 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . rr_1xy4 1
. 5 . 936 . 1 1 3 LYS N N -1.250 -4.074 0.968 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . rr_1xy4 1
. 5 . 937 . 1 1 3 LYS NZ N -6.086 -2.752 3.920 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . rr_1xy4 1
. 5 . 938 . 1 1 3 LYS O O 0.038 -1.468 1.816 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . rr_1xy4 1
. 5 . 939 . 1 1 4 . C C 0.450 1.070 -0.349 . . . 1.0 . . . . . . . . . . . . A . 4 ILG C . . . . . . . . . rr_1xy4 1
. 5 . 940 . 1 1 4 . CA C 0.915 -0.368 -0.580 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CA . . . . . . . . . rr_1xy4 1
. 5 . 941 . 1 1 4 . CB C 1.575 -0.528 -1.979 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CB . . . . . . . . . rr_1xy4 1
. 5 . 942 . 1 1 4 . CD C 2.617 -2.274 -3.693 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CD . . . . . . . . . rr_1xy4 1
. 5 . 943 . 1 1 4 . CG C 1.581 -1.961 -2.609 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CG . . . . . . . . . rr_1xy4 1
. 5 . 944 . 1 1 4 . H H -0.669 -1.529 -1.277 . . . 1.0 . . . . . . . . . . . . A . 4 ILG H . . . . . . . . . rr_1xy4 1
. 5 . 945 . 1 1 4 . HA H 1.650 -0.616 0.207 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HA . . . . . . . . . rr_1xy4 1
. 5 . 946 . 1 1 4 . HB2 H 1.079 0.162 -2.688 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB2 . . . . . . . . . rr_1xy4 1
. 5 . 947 . 1 1 4 . HB3 H 2.618 -0.157 -1.924 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB3 . . . . . . . . . rr_1xy4 1
. 5 . 948 . 1 1 4 . HG2 H 1.714 -2.717 -1.813 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG2 . . . . . . . . . rr_1xy4 1
. 5 . 949 . 1 1 4 . HG3 H 0.589 -2.192 -3.039 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG3 . . . . . . . . . rr_1xy4 1
. 5 . 950 . 1 1 4 . N N -0.198 -1.289 -0.426 . . . 1.0 . . . . . . . . . . . . A . 4 ILG N . . . . . . . . . rr_1xy4 1
. 5 . 951 . 1 1 4 . O O 1.196 2.016 -0.599 . . . 1.0 . . . . . . . . . . . . A . 4 ILG O . . . . . . . . . rr_1xy4 1
. 5 . 952 . 1 1 4 . OE1 O 2.717 -3.375 -4.218 . . . 1.0 . . . . . . . . . . . . A . 4 ILG OE1 . . . . . . . . . rr_1xy4 1
. 5 . 953 . 1 1 5 PHE C C -0.966 3.502 -0.695 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . rr_1xy4 1
. 5 . 954 . 1 1 5 PHE CA C -1.355 2.498 0.393 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . rr_1xy4 1
. 5 . 955 . 1 1 5 PHE CB C -0.785 2.970 1.732 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . rr_1xy4 1
. 5 . 956 . 1 1 5 PHE CD1 C -0.141 0.845 2.889 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . rr_1xy4 1
. 5 . 957 . 1 1 5 PHE CD2 C -1.852 2.153 3.845 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . rr_1xy4 1
. 5 . 958 . 1 1 5 PHE CE1 C -0.278 -0.101 3.939 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . rr_1xy4 1
. 5 . 959 . 1 1 5 PHE CE2 C -1.987 1.207 4.895 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . rr_1xy4 1
. 5 . 960 . 1 1 5 PHE CG C -0.931 1.951 2.865 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . rr_1xy4 1
. 5 . 961 . 1 1 5 PHE CZ C -1.197 0.101 4.920 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . rr_1xy4 1
. 5 . 962 . 1 1 5 PHE H H -1.382 0.418 0.324 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . rr_1xy4 1
. 5 . 963 . 1 1 5 PHE HA H -2.439 2.381 0.405 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . rr_1xy4 1
. 5 . 964 . 1 1 5 PHE HB2 H 0.271 3.206 1.603 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . rr_1xy4 1
. 5 . 965 . 1 1 5 PHE HB3 H -1.285 3.895 2.023 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . rr_1xy4 1
. 5 . 966 . 1 1 5 PHE HD1 H 0.596 0.685 2.103 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . rr_1xy4 1
. 5 . 967 . 1 1 5 PHE HD2 H -2.485 3.040 3.824 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . rr_1xy4 1
. 5 . 968 . 1 1 5 PHE HE1 H 0.356 -0.988 3.959 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . rr_1xy4 1
. 5 . 969 . 1 1 5 PHE HE2 H -2.726 1.368 5.682 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . rr_1xy4 1
. 5 . 970 . 1 1 5 PHE HZ H -1.302 -0.625 5.727 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . rr_1xy4 1
. 5 . 971 . 1 1 5 PHE N N -0.781 1.192 0.124 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . rr_1xy4 1
. 5 . 972 . 1 1 5 PHE O O -0.671 3.115 -1.825 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . rr_1xy4 1
. 5 . 973 . 1 1 6 DTR C C 0.840 5.666 -1.625 . . . 1.0 . . . . . . . . . . . . A . 6 DTR C . . . . . . . . . rr_1xy4 1
. 5 . 974 . 1 1 6 DTR CA C -0.632 5.834 -1.247 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CA . . . . . . . . . rr_1xy4 1
. 5 . 975 . 1 1 6 DTR CB C -1.578 5.687 -2.440 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CB . . . . . . . . . rr_1xy4 1
. 5 . 976 . 1 1 6 DTR CD1 C -3.594 7.208 -1.907 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD1 . . . . . . . . . rr_1xy4 1
. 5 . 977 . 1 1 6 DTR CD2 C -2.428 7.887 -3.664 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD2 . . . . . . . . . rr_1xy4 1
. 5 . 978 . 1 1 6 DTR CE2 C -3.465 8.778 -3.489 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE2 . . . . . . . . . rr_1xy4 1
. 5 . 979 . 1 1 6 DTR CE3 C -1.497 8.040 -4.707 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE3 . . . . . . . . . rr_1xy4 1
. 5 . 980 . 1 1 6 DTR CG C -2.520 6.876 -2.637 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CG . . . . . . . . . rr_1xy4 1
. 5 . 981 . 1 1 6 DTR CH2 C -2.758 10.061 -5.365 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CH2 . . . . . . . . . rr_1xy4 1
. 5 . 982 . 1 1 6 DTR CZ2 C -3.672 9.887 -4.319 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ2 . . . . . . . . . rr_1xy4 1
. 5 . 983 . 1 1 6 DTR CZ3 C -1.718 9.153 -5.527 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ3 . . . . . . . . . rr_1xy4 1
. 5 . 984 . 1 1 6 DTR H H -1.221 5.078 0.604 . . . 1.0 . . . . . . . . . . . . A . 6 DTR H . . . . . . . . . rr_1xy4 1
. 5 . 985 . 1 1 6 DTR HA H -0.780 6.771 -0.711 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HA . . . . . . . . . rr_1xy4 1
. 5 . 986 . 1 1 6 DTR HB2 H -0.987 5.551 -3.345 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB2 . . . . . . . . . rr_1xy4 1
. 5 . 987 . 1 1 6 DTR HB3 H -2.173 4.783 -2.311 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB3 . . . . . . . . . rr_1xy4 1
. 5 . 988 . 1 1 6 DTR HD1 H -3.946 6.646 -1.043 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HD1 . . . . . . . . . rr_1xy4 1
. 5 . 989 . 1 1 6 DTR HE1 H -5.085 8.835 -1.977 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE1 . . . . . . . . . rr_1xy4 1
. 5 . 990 . 1 1 6 DTR HE3 H -0.669 7.349 -4.864 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE3 . . . . . . . . . rr_1xy4 1
. 5 . 991 . 1 1 6 DTR HH2 H -2.861 10.904 -6.048 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HH2 . . . . . . . . . rr_1xy4 1
. 5 . 992 . 1 1 6 DTR HZ2 H -4.501 10.577 -4.160 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ2 . . . . . . . . . rr_1xy4 1
. 5 . 993 . 1 1 6 DTR HZ3 H -1.025 9.320 -6.353 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ3 . . . . . . . . . rr_1xy4 1
. 5 . 994 . 1 1 6 DTR N N -0.980 4.772 -0.316 . . . 1.0 . . . . . . . . . . . . A . 6 DTR N . . . . . . . . . rr_1xy4 1
. 5 . 995 . 1 1 6 DTR NE1 N -4.198 8.352 -2.386 . . . 1.0 . . . . . . . . . . . . A . 6 DTR NE1 . . . . . . . . . rr_1xy4 1
. 5 . 996 . 1 1 6 DTR O O 1.701 6.394 -1.128 . . . 1.0 . . . . . . . . . . . . A . 6 DTR O . . . . . . . . . rr_1xy4 1
. 5 . 997 . 1 1 7 IAM C C 3.457 4.711 -1.843 . . . 1.0 . . . . . . . . . . . . A . 7 IAM C . . . . . . . . . rr_1xy4 1
. 5 . 998 . 1 1 7 IAM CA C 2.441 4.433 -2.953 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CA . . . . . . . . . rr_1xy4 1
. 5 . 999 . 1 1 7 IAM CB C 2.719 5.373 -4.127 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CB . . . . . . . . . rr_1xy4 1
. 5 . 1000 . 1 1 7 IAM CD1 C 1.249 4.055 -5.667 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD1 . . . . . . . . . rr_1xy4 1
. 5 . 1001 . 1 1 7 IAM CD2 C 3.239 4.958 -6.542 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD2 . . . . . . . . . rr_1xy4 1
. 5 . 1002 . 1 1 7 IAM CE1 C 0.942 3.498 -6.937 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE1 . . . . . . . . . rr_1xy4 1
. 5 . 1003 . 1 1 7 IAM CE2 C 2.934 4.401 -7.812 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE2 . . . . . . . . . rr_1xy4 1
. 5 . 1004 . 1 1 7 IAM CG C 2.390 4.773 -5.496 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CG . . . . . . . . . rr_1xy4 1
. 5 . 1005 . 1 1 7 IAM CI C 0.339 5.291 -10.008 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CI . . . . . . . . . rr_1xy4 1
. 5 . 1006 . 1 1 7 IAM CK1 C -0.519 5.859 -8.864 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK1 . . . . . . . . . rr_1xy4 1
. 5 . 1007 . 1 1 7 IAM CK2 C -0.228 5.760 -11.360 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK2 . . . . . . . . . rr_1xy4 1
. 5 . 1008 . 1 1 7 IAM CT C 1.461 3.081 -9.359 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CT . . . . . . . . . rr_1xy4 1
. 5 . 1009 . 1 1 7 IAM CZ C 1.792 3.683 -7.982 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CZ . . . . . . . . . rr_1xy4 1
. 5 . 1010 . 1 1 7 IAM H H 0.384 4.117 -2.901 . . . 1.0 . . . . . . . . . . . . A . 7 IAM H . . . . . . . . . rr_1xy4 1
. 5 . 1011 . 1 1 7 IAM HA H 2.485 3.379 -3.228 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HA . . . . . . . . . rr_1xy4 1
. 5 . 1012 . 1 1 7 IAM HB H 2.139 6.286 -3.994 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB . . . . . . . . . rr_1xy4 1
. 5 . 1013 . 1 1 7 IAM HB1 H 3.770 5.659 -4.112 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB1 . . . . . . . . . rr_1xy4 1
. 5 . 1014 . 1 1 7 IAM HD1 H 0.567 3.907 -4.828 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD1 . . . . . . . . . rr_1xy4 1
. 5 . 1015 . 1 1 7 IAM HD2 H 4.155 5.534 -6.404 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD2 . . . . . . . . . rr_1xy4 1
. 5 . 1016 . 1 1 7 IAM HE1 H 0.026 2.923 -7.074 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE1 . . . . . . . . . rr_1xy4 1
. 5 . 1017 . 1 1 7 IAM HE2 H 3.614 4.550 -8.650 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE2 . . . . . . . . . rr_1xy4 1
. 5 . 1018 . 1 1 7 IAM HH H -0.486 3.293 -10.328 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HH . . . . . . . . . rr_1xy4 1
. 5 . 1019 . 1 1 7 IAM HI H 1.346 5.639 -9.905 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HI . . . . . . . . . rr_1xy4 1
. 5 . 1020 . 1 1 7 IAM HK11 H -1.527 5.511 -8.967 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK11 . . . . . . . . . rr_1xy4 1
. 5 . 1021 . 1 1 7 IAM HK12 H -0.124 5.532 -7.924 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK12 . . . . . . . . . rr_1xy4 1
. 5 . 1022 . 1 1 7 IAM HK13 H -0.506 6.929 -8.903 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK13 . . . . . . . . . rr_1xy4 1
. 5 . 1023 . 1 1 7 IAM HK21 H 0.368 5.365 -12.155 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK21 . . . . . . . . . rr_1xy4 1
. 5 . 1024 . 1 1 7 IAM HK22 H -1.236 5.413 -11.465 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK22 . . . . . . . . . rr_1xy4 1
. 5 . 1025 . 1 1 7 IAM HK23 H -0.215 6.829 -11.401 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK23 . . . . . . . . . rr_1xy4 1
. 5 . 1026 . 1 1 7 IAM HT1 H 1.202 2.048 -9.244 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT1 . . . . . . . . . rr_1xy4 1
. 5 . 1027 . 1 1 7 IAM HT2 H 2.313 3.167 -10.004 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT2 . . . . . . . . . rr_1xy4 1
. 5 . 1028 . 1 1 7 IAM N N 1.088 4.705 -2.502 . . . 1.0 . . . . . . . . . . . . A . 7 IAM N . . . . . . . . . rr_1xy4 1
. 5 . 1029 . 1 1 7 IAM NH N 0.320 3.812 -9.953 . . . 1.0 . . . . . . . . . . . . A . 7 IAM NH . . . . . . . . . rr_1xy4 1
. 5 . 1030 . 1 1 7 IAM O O 4.403 5.471 -2.036 . . . 1.0 . . . . . . . . . . . . A . 7 IAM O . . . . . . . . . rr_1xy4 1
. 5 . 1031 . 1 1 8 THR C C 4.488 2.889 1.027 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . rr_1xy4 1
. 5 . 1032 . 1 1 8 THR CA C 4.104 4.251 0.442 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . rr_1xy4 1
. 5 . 1033 . 1 1 8 THR CB C 3.405 5.168 1.447 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . rr_1xy4 1
. 5 . 1034 . 1 1 8 THR CG2 C 2.207 4.495 2.119 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . rr_1xy4 1
. 5 . 1035 . 1 1 8 THR H H 2.450 3.463 -0.550 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . rr_1xy4 1
. 5 . 1036 . 1 1 8 THR HA H 5.026 4.722 0.099 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . rr_1xy4 1
. 5 . 1037 . 1 1 8 THR HB H 3.110 6.107 0.975 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . rr_1xy4 1
. 5 . 1038 . 1 1 8 THR HG1 H 4.618 4.424 2.853 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . rr_1xy4 1
. 5 . 1039 . 1 1 8 THR HG21 H 2.065 4.919 3.114 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . rr_1xy4 1
. 5 . 1040 . 1 1 8 THR HG22 H 1.311 4.665 1.522 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . rr_1xy4 1
. 5 . 1041 . 1 1 8 THR HG23 H 2.392 3.423 2.204 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . rr_1xy4 1
. 5 . 1042 . 1 1 8 THR N N 3.224 4.080 -0.701 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . rr_1xy4 1
. 5 . 1043 . 1 1 8 THR O O 4.788 1.954 0.287 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . rr_1xy4 1
. 5 . 1044 . 1 1 8 THR OG1 O 4.355 5.321 2.498 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . rr_1xy4 1
. 5 . 1045 . 1 1 9 PHE C C 3.866 0.453 2.635 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . rr_1xy4 1
. 5 . 1046 . 1 1 9 PHE CA C 4.803 1.591 3.043 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . rr_1xy4 1
. 5 . 1047 . 1 1 9 PHE CB C 4.640 1.860 4.539 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . rr_1xy4 1
. 5 . 1048 . 1 1 9 PHE CD1 C 2.170 2.066 4.899 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . rr_1xy4 1
. 5 . 1049 . 1 1 9 PHE CD2 C 3.499 3.988 5.202 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . rr_1xy4 1
. 5 . 1050 . 1 1 9 PHE CE1 C 1.010 2.817 5.226 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . rr_1xy4 1
. 5 . 1051 . 1 1 9 PHE CE2 C 2.339 4.740 5.530 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . rr_1xy4 1
. 5 . 1052 . 1 1 9 PHE CG C 3.389 2.668 4.894 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . rr_1xy4 1
. 5 . 1053 . 1 1 9 PHE CZ C 1.119 4.138 5.537 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . rr_1xy4 1
. 5 . 1054 . 1 1 9 PHE H H 4.217 3.587 2.945 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . rr_1xy4 1
. 5 . 1055 . 1 1 9 PHE HA H 5.825 1.334 2.761 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . rr_1xy4 1
. 5 . 1056 . 1 1 9 PHE HB2 H 4.606 0.907 5.068 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . rr_1xy4 1
. 5 . 1057 . 1 1 9 PHE HB3 H 5.518 2.394 4.901 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . rr_1xy4 1
. 5 . 1058 . 1 1 9 PHE HD1 H 2.083 1.009 4.651 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . rr_1xy4 1
. 5 . 1059 . 1 1 9 PHE HD2 H 4.477 4.470 5.198 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . rr_1xy4 1
. 5 . 1060 . 1 1 9 PHE HE1 H 0.032 2.336 5.231 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . rr_1xy4 1
. 5 . 1061 . 1 1 9 PHE HE2 H 2.427 5.797 5.779 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . rr_1xy4 1
. 5 . 1062 . 1 1 9 PHE HZ H 0.229 4.713 5.789 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . rr_1xy4 1
. 5 . 1063 . 1 1 9 PHE N N 4.463 2.822 2.350 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . rr_1xy4 1
. 5 . 1064 . 1 1 9 PHE O O 2.776 0.699 2.119 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . rr_1xy4 1
. 5 . 1065 . 1 1 10 LYS C C 3.025 -2.590 3.831 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_1xy4 1
. 5 . 1066 . 1 1 10 LYS CA C 3.538 -1.941 2.546 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_1xy4 1
. 5 . 1067 . 1 1 10 LYS CB C 4.345 -2.889 1.656 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_1xy4 1
. 5 . 1068 . 1 1 10 LYS CD C 4.187 -2.515 -0.832 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_1xy4 1
. 5 . 1069 . 1 1 10 LYS CE C 5.154 -2.620 -2.013 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_1xy4 1
. 5 . 1070 . 1 1 10 LYS CG C 4.932 -2.148 0.454 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_1xy4 1
. 5 . 1071 . 1 1 10 LYS H H 5.211 -0.955 3.300 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_1xy4 1
. 5 . 1072 . 1 1 10 LYS HA H 2.680 -1.604 1.962 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_1xy4 1
. 5 . 1073 . 1 1 10 LYS HB2 H 5.148 -3.341 2.238 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_1xy4 1
. 5 . 1074 . 1 1 10 LYS HB3 H 3.707 -3.702 1.311 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_1xy4 1
. 5 . 1075 . 1 1 10 LYS HD2 H 3.668 -3.464 -0.698 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_1xy4 1
. 5 . 1076 . 1 1 10 LYS HD3 H 3.428 -1.763 -1.045 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_1xy4 1
. 5 . 1077 . 1 1 10 LYS HE2 H 5.972 -1.910 -1.885 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_1xy4 1
. 5 . 1078 . 1 1 10 LYS HE3 H 5.597 -3.615 -2.042 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_1xy4 1
. 5 . 1079 . 1 1 10 LYS HG2 H 4.872 -1.073 0.619 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_1xy4 1
. 5 . 1080 . 1 1 10 LYS HG3 H 5.988 -2.397 0.350 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_1xy4 1
. 5 . 1081 . 1 1 10 LYS HZ3 H 4.270 -3.236 -3.776 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_1xy4 1
. 5 . 1082 . 1 1 10 LYS N N 4.323 -0.766 2.881 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_1xy4 1
. 5 . 1083 . 1 1 10 LYS NZ N 4.448 -2.348 -3.285 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_1xy4 1
. 5 . 1084 . 1 1 10 LYS O O 3.761 -2.704 4.811 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_1xy4 1
. 5 . 1085 . 1 1 11 SER C C 0.650 -5.033 4.562 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_1xy4 1
. 5 . 1086 . 1 1 11 SER CA C 1.145 -3.634 4.940 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_1xy4 1
. 5 . 1087 . 1 1 11 SER CB C -0.005 -2.752 5.490 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_1xy4 1
. 5 . 1088 . 1 1 11 SER H H 1.173 -2.903 2.989 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_1xy4 1
. 5 . 1089 . 1 1 11 SER HA H 1.897 -3.765 5.738 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_1xy4 1
. 5 . 1090 . 1 1 11 SER HB2 H 0.405 -1.788 5.849 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_1xy4 1
. 5 . 1091 . 1 1 11 SER HB3 H -0.717 -2.479 4.687 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_1xy4 1
. 5 . 1092 . 1 1 11 SER HG H -1.125 -4.169 6.223 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_1xy4 1
. 5 . 1093 . 1 1 11 SER N N 1.764 -2.999 3.789 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_1xy4 1
. 5 . 1094 . 1 1 11 SER O O -0.443 -5.436 4.957 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_1xy4 1
. 5 . 1095 . 1 1 11 SER OG O -0.714 -3.371 6.568 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_1xy4 1
. 5 . 1096 . 1 1 12 CYS C C 1.407 -8.038 4.527 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_1xy4 1
. 5 . 1097 . 1 1 12 CYS CA C 1.141 -7.077 3.367 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_1xy4 1
. 5 . 1098 . 1 1 12 CYS CB C 1.911 -7.475 2.107 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_1xy4 1
. 5 . 1099 . 1 1 12 CYS H H 2.366 -5.397 3.486 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_1xy4 1
. 5 . 1100 . 1 1 12 CYS HA H 0.083 -7.065 3.111 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_1xy4 1
. 5 . 1101 . 1 1 12 CYS HB2 H 1.851 -6.657 1.388 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_1xy4 1
. 5 . 1102 . 1 1 12 CYS HB3 H 2.964 -7.597 2.365 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_1xy4 1
. 5 . 1103 . 1 1 12 CYS N N 1.479 -5.733 3.802 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_1xy4 1
. 5 . 1104 . 1 1 12 CYS O O 0.397 -8.635 5.129 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_1xy4 1
. 5 . 1105 . 1 1 12 CYS SG S 1.324 -9.010 1.300 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_1xy4 1
. 6 . 1106 . 1 1 1 TYR C C -3.393 -6.923 1.347 . . . 1.0 . . . . . . . . . . . . A . 1 TYR C . . . . . . . . . rr_1xy4 1
. 6 . 1107 . 1 1 1 TYR CA C -4.573 -7.884 1.499 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CA . . . . . . . . . rr_1xy4 1
. 6 . 1108 . 1 1 1 TYR CB C -5.229 -8.088 0.132 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CB . . . . . . . . . rr_1xy4 1
. 6 . 1109 . 1 1 1 TYR CD1 C -6.639 -6.004 -0.040 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD1 . . . . . . . . . rr_1xy4 1
. 6 . 1110 . 1 1 1 TYR CD2 C -7.735 -8.125 -0.145 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD2 . . . . . . . . . rr_1xy4 1
. 6 . 1111 . 1 1 1 TYR CE1 C -7.908 -5.341 -0.186 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE1 . . . . . . . . . rr_1xy4 1
. 6 . 1112 . 1 1 1 TYR CE2 C -9.005 -7.464 -0.290 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE2 . . . . . . . . . rr_1xy4 1
. 6 . 1113 . 1 1 1 TYR CG C -6.579 -7.381 -0.024 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CG . . . . . . . . . rr_1xy4 1
. 6 . 1114 . 1 1 1 TYR CZ C -9.028 -6.103 -0.303 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CZ . . . . . . . . . rr_1xy4 1
. 6 . 1115 . 1 1 1 TYR H1 H -6.530 -7.575 1.995 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H1 . . . . . . . . . rr_1xy4 1
. 6 . 1116 . 1 1 1 TYR H2 H -5.490 -7.681 3.312 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H2 . . . . . . . . . rr_1xy4 1
. 6 . 1117 . 1 1 1 TYR H3 H -5.395 -6.405 2.713 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H3 . . . . . . . . . rr_1xy4 1
. 6 . 1118 . 1 1 1 TYR HA H -4.223 -8.808 1.960 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HA . . . . . . . . . rr_1xy4 1
. 6 . 1119 . 1 1 1 TYR HB2 H -4.552 -7.727 -0.643 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB2 . . . . . . . . . rr_1xy4 1
. 6 . 1120 . 1 1 1 TYR HB3 H -5.368 -9.156 -0.038 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB3 . . . . . . . . . rr_1xy4 1
. 6 . 1121 . 1 1 1 TYR HD1 H -5.726 -5.418 0.057 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD1 . . . . . . . . . rr_1xy4 1
. 6 . 1122 . 1 1 1 TYR HD2 H -7.687 -9.214 -0.130 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD2 . . . . . . . . . rr_1xy4 1
. 6 . 1123 . 1 1 1 TYR HE1 H -7.971 -4.252 -0.202 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE1 . . . . . . . . . rr_1xy4 1
. 6 . 1124 . 1 1 1 TYR HE2 H -9.926 -8.037 -0.389 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE2 . . . . . . . . . rr_1xy4 1
. 6 . 1125 . 1 1 1 TYR HH H -10.972 -6.144 -0.378 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HH . . . . . . . . . rr_1xy4 1
. 6 . 1126 . 1 1 1 TYR N N -5.600 -7.317 2.355 . . . 1.0 . . . . . . . . . . . . A . 1 TYR N . . . . . . . . . rr_1xy4 1
. 6 . 1127 . 1 1 1 TYR O O -3.271 -5.959 2.103 . . . 1.0 . . . . . . . . . . . . A . 1 TYR O . . . . . . . . . rr_1xy4 1
. 6 . 1128 . 1 1 1 TYR OH O -10.228 -5.476 -0.440 . . . 1.0 . . . . . . . . . . . . A . 1 TYR OH . . . . . . . . . rr_1xy4 1
. 6 . 1129 . 1 1 2 CYS C C -1.868 -4.984 -0.267 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_1xy4 1
. 6 . 1130 . 1 1 2 CYS CA C -1.388 -6.389 0.104 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_1xy4 1
. 6 . 1131 . 1 1 2 CYS CB C -0.498 -6.993 -0.985 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_1xy4 1
. 6 . 1132 . 1 1 2 CYS H H -2.660 -8.000 -0.246 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_1xy4 1
. 6 . 1133 . 1 1 2 CYS HA H -0.807 -6.368 1.025 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_1xy4 1
. 6 . 1134 . 1 1 2 CYS HB2 H -1.075 -7.737 -1.534 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_1xy4 1
. 6 . 1135 . 1 1 2 CYS HB3 H -0.232 -6.210 -1.694 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_1xy4 1
. 6 . 1136 . 1 1 2 CYS N N -2.554 -7.215 0.364 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_1xy4 1
. 6 . 1137 . 1 1 2 CYS O O -2.794 -4.831 -1.064 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_1xy4 1
. 6 . 1138 . 1 1 2 CYS SG S 1.039 -7.776 -0.374 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_1xy4 1
. 6 . 1139 . 1 1 3 LYS C C -0.360 -1.719 0.372 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . rr_1xy4 1
. 6 . 1140 . 1 1 3 LYS CA C -1.568 -2.608 0.071 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . rr_1xy4 1
. 6 . 1141 . 1 1 3 LYS CB C -2.827 -2.220 0.848 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . rr_1xy4 1
. 6 . 1142 . 1 1 3 LYS CD C -3.855 -2.003 3.141 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . rr_1xy4 1
. 6 . 1143 . 1 1 3 LYS CE C -4.803 -3.118 3.589 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . rr_1xy4 1
. 6 . 1144 . 1 1 3 LYS CG C -2.687 -2.570 2.331 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . rr_1xy4 1
. 6 . 1145 . 1 1 3 LYS H H -0.468 -4.128 0.976 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . rr_1xy4 1
. 6 . 1146 . 1 1 3 LYS HA H -1.805 -2.523 -0.988 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . rr_1xy4 1
. 6 . 1147 . 1 1 3 LYS HB2 H -3.010 -1.150 0.739 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . rr_1xy4 1
. 6 . 1148 . 1 1 3 LYS HB3 H -3.692 -2.734 0.430 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . rr_1xy4 1
. 6 . 1149 . 1 1 3 LYS HD2 H -3.474 -1.472 4.013 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . rr_1xy4 1
. 6 . 1150 . 1 1 3 LYS HD3 H -4.402 -1.277 2.540 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . rr_1xy4 1
. 6 . 1151 . 1 1 3 LYS HE2 H -4.339 -4.089 3.415 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . rr_1xy4 1
. 6 . 1152 . 1 1 3 LYS HE3 H -4.984 -3.039 4.662 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . rr_1xy4 1
. 6 . 1153 . 1 1 3 LYS HG2 H -2.647 -3.652 2.450 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . rr_1xy4 1
. 6 . 1154 . 1 1 3 LYS HG3 H -1.747 -2.173 2.715 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . rr_1xy4 1
. 6 . 1155 . 1 1 3 LYS HZ1 H -6.839 -3.494 3.356 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . rr_1xy4 1
. 6 . 1156 . 1 1 3 LYS HZ2 H -6.377 -2.072 2.711 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . rr_1xy4 1
. 6 . 1157 . 1 1 3 LYS N N -1.219 -3.994 0.329 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . rr_1xy4 1
. 6 . 1158 . 1 1 3 LYS NZ N -6.086 -3.033 2.858 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . rr_1xy4 1
. 6 . 1159 . 1 1 3 LYS O O 0.036 -1.575 1.529 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . rr_1xy4 1
. 6 . 1160 . 1 1 4 . C C 0.894 1.175 -0.332 . . . 1.0 . . . . . . . . . . . . A . 4 ILG C . . . . . . . . . rr_1xy4 1
. 6 . 1161 . 1 1 4 . CA C 1.343 -0.271 -0.549 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CA . . . . . . . . . rr_1xy4 1
. 6 . 1162 . 1 1 4 . CB C 2.278 -0.392 -1.785 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CB . . . . . . . . . rr_1xy4 1
. 6 . 1163 . 1 1 4 . CD C 3.583 -2.032 -3.419 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CD . . . . . . . . . rr_1xy4 1
. 6 . 1164 . 1 1 4 . CG C 2.443 -1.812 -2.423 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CG . . . . . . . . . rr_1xy4 1
. 6 . 1165 . 1 1 4 . H H -0.140 -1.265 -1.624 . . . 1.0 . . . . . . . . . . . . A . 4 ILG H . . . . . . . . . rr_1xy4 1
. 6 . 1166 . 1 1 4 . HA H 1.886 -0.595 0.359 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HA . . . . . . . . . rr_1xy4 1
. 6 . 1167 . 1 1 4 . HB2 H 1.921 0.303 -2.570 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB2 . . . . . . . . . rr_1xy4 1
. 6 . 1168 . 1 1 4 . HB3 H 3.277 -0.001 -1.514 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB3 . . . . . . . . . rr_1xy4 1
. 6 . 1169 . 1 1 4 . HG2 H 2.568 -2.566 -1.624 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG2 . . . . . . . . . rr_1xy4 1
. 6 . 1170 . 1 1 4 . HG3 H 1.509 -2.110 -2.934 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG3 . . . . . . . . . rr_1xy4 1
. 6 . 1171 . 1 1 4 . N N 0.190 -1.142 -0.686 . . . 1.0 . . . . . . . . . . . . A . 4 ILG N . . . . . . . . . rr_1xy4 1
. 6 . 1172 . 1 1 4 . O O 1.664 2.108 -0.552 . . . 1.0 . . . . . . . . . . . . A . 4 ILG O . . . . . . . . . rr_1xy4 1
. 6 . 1173 . 1 1 4 . OE1 O 3.810 -3.114 -3.944 . . . 1.0 . . . . . . . . . . . . A . 4 ILG OE1 . . . . . . . . . rr_1xy4 1
. 6 . 1174 . 1 1 5 PHE C C -0.470 3.630 -0.727 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . rr_1xy4 1
. 6 . 1175 . 1 1 5 PHE CA C -0.915 2.632 0.345 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . rr_1xy4 1
. 6 . 1176 . 1 1 5 PHE CB C -0.387 3.094 1.704 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . rr_1xy4 1
. 6 . 1177 . 1 1 5 PHE CD1 C 0.099 0.903 2.819 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . rr_1xy4 1
. 6 . 1178 . 1 1 5 PHE CD2 C -1.462 2.344 3.838 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . rr_1xy4 1
. 6 . 1179 . 1 1 5 PHE CE1 C -0.090 -0.041 3.862 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . rr_1xy4 1
. 6 . 1180 . 1 1 5 PHE CE2 C -1.651 1.400 4.882 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . rr_1xy4 1
. 6 . 1181 . 1 1 5 PHE CG C -0.591 2.075 2.830 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . rr_1xy4 1
. 6 . 1182 . 1 1 5 PHE CZ C -0.960 0.228 4.873 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . rr_1xy4 1
. 6 . 1183 . 1 1 5 PHE H H -0.973 0.551 0.271 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . rr_1xy4 1
. 6 . 1184 . 1 1 5 PHE HA H -2.001 2.531 0.316 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . rr_1xy4 1
. 6 . 1185 . 1 1 5 PHE HB2 H 0.678 3.312 1.615 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . rr_1xy4 1
. 6 . 1186 . 1 1 5 PHE HB3 H -0.882 4.025 1.978 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . rr_1xy4 1
. 6 . 1187 . 1 1 5 PHE HD1 H 0.797 0.689 2.010 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . rr_1xy4 1
. 6 . 1188 . 1 1 5 PHE HD2 H -2.015 3.283 3.846 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . rr_1xy4 1
. 6 . 1189 . 1 1 5 PHE HE1 H 0.462 -0.981 3.854 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . rr_1xy4 1
. 6 . 1190 . 1 1 5 PHE HE2 H -2.349 1.615 5.691 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . rr_1xy4 1
. 6 . 1191 . 1 1 5 PHE HZ H -1.106 -0.497 5.673 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . rr_1xy4 1
. 6 . 1192 . 1 1 5 PHE N N -0.353 1.315 0.096 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . rr_1xy4 1
. 6 . 1193 . 1 1 5 PHE O O -0.038 3.233 -1.808 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . rr_1xy4 1
. 6 . 1194 . 1 1 6 DTR C C 1.271 5.777 -1.652 . . . 1.0 . . . . . . . . . . . . A . 6 DTR C . . . . . . . . . rr_1xy4 1
. 6 . 1195 . 1 1 6 DTR CA C -0.208 5.963 -1.311 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CA . . . . . . . . . rr_1xy4 1
. 6 . 1196 . 1 1 6 DTR CB C -1.127 5.829 -2.527 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CB . . . . . . . . . rr_1xy4 1
. 6 . 1197 . 1 1 6 DTR CD1 C -2.888 7.366 -1.436 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD1 . . . . . . . . . rr_1xy4 1
. 6 . 1198 . 1 1 6 DTR CD2 C -3.706 6.135 -3.087 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD2 . . . . . . . . . rr_1xy4 1
. 6 . 1199 . 1 1 6 DTR CE2 C -4.740 6.903 -2.595 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE2 . . . . . . . . . rr_1xy4 1
. 6 . 1200 . 1 1 6 DTR CE3 C -3.901 5.238 -4.151 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE3 . . . . . . . . . rr_1xy4 1
. 6 . 1201 . 1 1 6 DTR CG C -2.513 6.443 -2.331 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CG . . . . . . . . . rr_1xy4 1
. 6 . 1202 . 1 1 6 DTR CH2 C -6.263 5.966 -4.164 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CH2 . . . . . . . . . rr_1xy4 1
. 6 . 1203 . 1 1 6 DTR CZ2 C -6.044 6.853 -3.104 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ2 . . . . . . . . . rr_1xy4 1
. 6 . 1204 . 1 1 6 DTR CZ3 C -5.208 5.200 -4.649 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ3 . . . . . . . . . rr_1xy4 1
. 6 . 1205 . 1 1 6 DTR H H -0.945 5.218 0.491 . . . 1.0 . . . . . . . . . . . . A . 6 DTR H . . . . . . . . . rr_1xy4 1
. 6 . 1206 . 1 1 6 DTR HA H -0.359 6.901 -0.778 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HA . . . . . . . . . rr_1xy4 1
. 6 . 1207 . 1 1 6 DTR HB2 H -0.649 6.304 -3.385 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB2 . . . . . . . . . rr_1xy4 1
. 6 . 1208 . 1 1 6 DTR HB3 H -1.240 4.772 -2.770 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB3 . . . . . . . . . rr_1xy4 1
. 6 . 1209 . 1 1 6 DTR HD1 H -2.219 7.816 -0.702 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HD1 . . . . . . . . . rr_1xy4 1
. 6 . 1210 . 1 1 6 DTR HE1 H -4.782 8.394 -0.954 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE1 . . . . . . . . . rr_1xy4 1
. 6 . 1211 . 1 1 6 DTR HE3 H -3.099 4.622 -4.557 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE3 . . . . . . . . . rr_1xy4 1
. 6 . 1212 . 1 1 6 DTR HH2 H -7.254 5.878 -4.609 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HH2 . . . . . . . . . rr_1xy4 1
. 6 . 1213 . 1 1 6 DTR HZ2 H -6.844 7.470 -2.697 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ2 . . . . . . . . . rr_1xy4 1
. 6 . 1214 . 1 1 6 DTR HZ3 H -5.416 4.520 -5.477 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ3 . . . . . . . . . rr_1xy4 1
. 6 . 1215 . 1 1 6 DTR N N -0.592 4.905 -0.390 . . . 1.0 . . . . . . . . . . . . A . 6 DTR N . . . . . . . . . rr_1xy4 1
. 6 . 1216 . 1 1 6 DTR NE1 N -4.228 7.676 -1.556 . . . 1.0 . . . . . . . . . . . . A . 6 DTR NE1 . . . . . . . . . rr_1xy4 1
. 6 . 1217 . 1 1 6 DTR O O 2.135 6.407 -1.046 . . . 1.0 . . . . . . . . . . . . A . 6 DTR O . . . . . . . . . rr_1xy4 1
. 6 . 1218 . 1 1 7 IAM C C 3.872 4.880 -1.919 . . . 1.0 . . . . . . . . . . . . A . 7 IAM C . . . . . . . . . rr_1xy4 1
. 6 . 1219 . 1 1 7 IAM CA C 2.877 4.635 -3.054 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CA . . . . . . . . . rr_1xy4 1
. 6 . 1220 . 1 1 7 IAM CB C 3.187 5.597 -4.202 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CB . . . . . . . . . rr_1xy4 1
. 6 . 1221 . 1 1 7 IAM CD1 C 1.559 4.609 -5.830 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD1 . . . . . . . . . rr_1xy4 1
. 6 . 1222 . 1 1 7 IAM CD2 C 3.759 5.012 -6.570 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD2 . . . . . . . . . rr_1xy4 1
. 6 . 1223 . 1 1 7 IAM CE1 C 1.219 4.104 -7.115 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE1 . . . . . . . . . rr_1xy4 1
. 6 . 1224 . 1 1 7 IAM CE2 C 3.421 4.507 -7.853 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE2 . . . . . . . . . rr_1xy4 1
. 6 . 1225 . 1 1 7 IAM CG C 2.821 5.052 -5.585 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CG . . . . . . . . . rr_1xy4 1
. 6 . 1226 . 1 1 7 IAM CI C 0.655 5.738 -10.075 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CI . . . . . . . . . rr_1xy4 1
. 6 . 1227 . 1 1 7 IAM CK1 C -0.245 6.316 -8.966 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK1 . . . . . . . . . rr_1xy4 1
. 6 . 1228 . 1 1 7 IAM CK2 C 0.141 6.205 -11.448 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK2 . . . . . . . . . rr_1xy4 1
. 6 . 1229 . 1 1 7 IAM CT C 1.791 3.518 -9.488 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CT . . . . . . . . . rr_1xy4 1
. 6 . 1230 . 1 1 7 IAM CZ C 2.159 4.064 -8.097 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CZ . . . . . . . . . rr_1xy4 1
. 6 . 1231 . 1 1 7 IAM H H 0.808 4.403 -3.113 . . . 1.0 . . . . . . . . . . . . A . 7 IAM H . . . . . . . . . rr_1xy4 1
. 6 . 1232 . 1 1 7 IAM HA H 2.916 3.585 -3.350 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HA . . . . . . . . . rr_1xy4 1
. 6 . 1233 . 1 1 7 IAM HB H 2.648 6.529 -4.038 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB . . . . . . . . . rr_1xy4 1
. 6 . 1234 . 1 1 7 IAM HB1 H 4.249 5.837 -4.186 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB1 . . . . . . . . . rr_1xy4 1
. 6 . 1235 . 1 1 7 IAM HD1 H 0.808 4.642 -5.041 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD1 . . . . . . . . . rr_1xy4 1
. 6 . 1236 . 1 1 7 IAM HD2 H 4.771 5.367 -6.373 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD2 . . . . . . . . . rr_1xy4 1
. 6 . 1237 . 1 1 7 IAM HE1 H 0.207 3.750 -7.310 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE1 . . . . . . . . . rr_1xy4 1
. 6 . 1238 . 1 1 7 IAM HE2 H 4.171 4.476 -8.642 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE2 . . . . . . . . . rr_1xy4 1
. 6 . 1239 . 1 1 7 IAM HH H -0.209 3.748 -10.339 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HH . . . . . . . . . rr_1xy4 1
. 6 . 1240 . 1 1 7 IAM HI H 1.658 6.080 -9.934 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HI . . . . . . . . . rr_1xy4 1
. 6 . 1241 . 1 1 7 IAM HK11 H -1.251 5.974 -9.106 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK11 . . . . . . . . . rr_1xy4 1
. 6 . 1242 . 1 1 7 IAM HK12 H 0.111 5.991 -8.011 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK12 . . . . . . . . . rr_1xy4 1
. 6 . 1243 . 1 1 7 IAM HK13 H -0.224 7.384 -9.010 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK13 . . . . . . . . . rr_1xy4 1
. 6 . 1244 . 1 1 7 IAM HK21 H 0.767 5.803 -12.218 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK21 . . . . . . . . . rr_1xy4 1
. 6 . 1245 . 1 1 7 IAM HK22 H -0.862 5.864 -11.592 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK22 . . . . . . . . . rr_1xy4 1
. 6 . 1246 . 1 1 7 IAM HK23 H 0.163 7.274 -11.495 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK23 . . . . . . . . . rr_1xy4 1
. 6 . 1247 . 1 1 7 IAM HT1 H 1.548 2.478 -9.412 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT1 . . . . . . . . . rr_1xy4 1
. 6 . 1248 . 1 1 7 IAM HT2 H 2.621 3.644 -10.154 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT2 . . . . . . . . . rr_1xy4 1
. 6 . 1249 . 1 1 7 IAM N N 1.517 4.910 -2.624 . . . 1.0 . . . . . . . . . . . . A . 7 IAM N . . . . . . . . . rr_1xy4 1
. 6 . 1250 . 1 1 7 IAM NH N 0.624 4.260 -10.014 . . . 1.0 . . . . . . . . . . . . A . 7 IAM NH . . . . . . . . . rr_1xy4 1
. 6 . 1251 . 1 1 7 IAM O O 4.830 5.632 -2.079 . . . 1.0 . . . . . . . . . . . . A . 7 IAM O . . . . . . . . . rr_1xy4 1
. 6 . 1252 . 1 1 8 THR C C 4.769 2.991 0.975 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . rr_1xy4 1
. 6 . 1253 . 1 1 8 THR CA C 4.470 4.364 0.368 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . rr_1xy4 1
. 6 . 1254 . 1 1 8 THR CB C 3.791 5.325 1.346 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . rr_1xy4 1
. 6 . 1255 . 1 1 8 THR CG2 C 2.540 4.722 1.988 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . rr_1xy4 1
. 6 . 1256 . 1 1 8 THR H H 2.828 3.617 -0.673 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . rr_1xy4 1
. 6 . 1257 . 1 1 8 THR HA H 5.422 4.786 0.045 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . rr_1xy4 1
. 6 . 1258 . 1 1 8 THR HB H 3.563 6.276 0.864 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . rr_1xy4 1
. 6 . 1259 . 1 1 8 THR HG1 H 4.920 4.525 2.794 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . rr_1xy4 1
. 6 . 1260 . 1 1 8 THR HG21 H 2.391 5.159 2.975 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . rr_1xy4 1
. 6 . 1261 . 1 1 8 THR HG22 H 1.673 4.937 1.363 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . rr_1xy4 1
. 6 . 1262 . 1 1 8 THR HG23 H 2.663 3.644 2.081 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . rr_1xy4 1
. 6 . 1263 . 1 1 8 THR N N 3.609 4.227 -0.795 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . rr_1xy4 1
. 6 . 1264 . 1 1 8 THR O O 4.993 2.023 0.249 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . rr_1xy4 1
. 6 . 1265 . 1 1 8 THR OG1 O 4.717 5.433 2.426 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . rr_1xy4 1
. 6 . 1266 . 1 1 9 PHE C C 4.035 0.623 2.611 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . rr_1xy4 1
. 6 . 1267 . 1 1 9 PHE CA C 5.031 1.713 3.010 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . rr_1xy4 1
. 6 . 1268 . 1 1 9 PHE CB C 4.873 2.011 4.502 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . rr_1xy4 1
. 6 . 1269 . 1 1 9 PHE CD1 C 2.424 2.295 4.947 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . rr_1xy4 1
. 6 . 1270 . 1 1 9 PHE CD2 C 3.796 4.210 5.031 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . rr_1xy4 1
. 6 . 1271 . 1 1 9 PHE CE1 C 1.291 3.093 5.259 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . rr_1xy4 1
. 6 . 1272 . 1 1 9 PHE CE2 C 2.662 5.008 5.342 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . rr_1xy4 1
. 6 . 1273 . 1 1 9 PHE CG C 3.652 2.871 4.840 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . rr_1xy4 1
. 6 . 1274 . 1 1 9 PHE CZ C 1.436 4.432 5.451 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . rr_1xy4 1
. 6 . 1275 . 1 1 9 PHE H H 4.581 3.743 2.881 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . rr_1xy4 1
. 6 . 1276 . 1 1 9 PHE HA H 6.040 1.398 2.740 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . rr_1xy4 1
. 6 . 1277 . 1 1 9 PHE HB2 H 4.802 1.068 5.046 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . rr_1xy4 1
. 6 . 1278 . 1 1 9 PHE HB3 H 5.770 2.518 4.859 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . rr_1xy4 1
. 6 . 1279 . 1 1 9 PHE HD1 H 2.310 1.222 4.793 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . rr_1xy4 1
. 6 . 1280 . 1 1 9 PHE HD2 H 4.780 4.670 4.944 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . rr_1xy4 1
. 6 . 1281 . 1 1 9 PHE HE1 H 0.307 2.632 5.345 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . rr_1xy4 1
. 6 . 1282 . 1 1 9 PHE HE2 H 2.778 6.081 5.496 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . rr_1xy4 1
. 6 . 1283 . 1 1 9 PHE HZ H 0.567 5.044 5.691 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . rr_1xy4 1
. 6 . 1284 . 1 1 9 PHE N N 4.763 2.950 2.299 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . rr_1xy4 1
. 6 . 1285 . 1 1 9 PHE O O 2.976 0.917 2.059 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . rr_1xy4 1
. 6 . 1286 . 1 1 10 LYS C C 3.000 -2.343 3.877 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_1xy4 1
. 6 . 1287 . 1 1 10 LYS CA C 3.561 -1.749 2.583 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_1xy4 1
. 6 . 1288 . 1 1 10 LYS CB C 4.321 -2.758 1.721 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_1xy4 1
. 6 . 1289 . 1 1 10 LYS CD C 5.707 -1.878 -0.193 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_1xy4 1
. 6 . 1290 . 1 1 10 LYS CE C 6.011 -2.347 -1.617 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_1xy4 1
. 6 . 1291 . 1 1 10 LYS CG C 4.316 -2.339 0.251 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_1xy4 1
. 6 . 1292 . 1 1 10 LYS H H 5.272 -0.844 3.354 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_1xy4 1
. 6 . 1293 . 1 1 10 LYS HA H 2.730 -1.375 1.985 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_1xy4 1
. 6 . 1294 . 1 1 10 LYS HB2 H 5.349 -2.843 2.075 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_1xy4 1
. 6 . 1295 . 1 1 10 LYS HB3 H 3.867 -3.743 1.823 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_1xy4 1
. 6 . 1296 . 1 1 10 LYS HD2 H 5.765 -0.789 -0.143 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_1xy4 1
. 6 . 1297 . 1 1 10 LYS HD3 H 6.459 -2.268 0.491 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_1xy4 1
. 6 . 1298 . 1 1 10 LYS HE2 H 7.089 -2.383 -1.772 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_1xy4 1
. 6 . 1299 . 1 1 10 LYS HE3 H 5.633 -3.358 -1.761 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_1xy4 1
. 6 . 1300 . 1 1 10 LYS HG2 H 3.992 -3.174 -0.370 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_1xy4 1
. 6 . 1301 . 1 1 10 LYS HG3 H 3.598 -1.532 0.101 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_1xy4 1
. 6 . 1302 . 1 1 10 LYS HZ3 H 4.545 -1.872 -2.993 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_1xy4 1
. 6 . 1303 . 1 1 10 LYS N N 4.409 -0.613 2.906 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_1xy4 1
. 6 . 1304 . 1 1 10 LYS NZ N 5.392 -1.435 -2.605 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_1xy4 1
. 6 . 1305 . 1 1 10 LYS O O 3.628 -2.251 4.930 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_1xy4 1
. 6 . 1306 . 1 1 11 SER C C 0.358 -4.767 4.454 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_1xy4 1
. 6 . 1307 . 1 1 11 SER CA C 1.171 -3.551 4.901 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_1xy4 1
. 6 . 1308 . 1 1 11 SER CB C 0.286 -2.512 5.635 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_1xy4 1
. 6 . 1309 . 1 1 11 SER H H 1.319 -3.012 2.893 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_1xy4 1
. 6 . 1310 . 1 1 11 SER HA H 1.938 -3.918 5.607 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_1xy4 1
. 6 . 1311 . 1 1 11 SER HB2 H 0.849 -1.567 5.762 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_1xy4 1
. 6 . 1312 . 1 1 11 SER HB3 H -0.597 -2.238 5.027 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_1xy4 1
. 6 . 1313 . 1 1 11 SER HG H -0.691 -3.737 6.793 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_1xy4 1
. 6 . 1314 . 1 1 11 SER N N 1.823 -2.940 3.754 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_1xy4 1
. 6 . 1315 . 1 1 11 SER O O -0.871 -4.747 4.501 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_1xy4 1
. 6 . 1316 . 1 1 11 SER OG O -0.142 -2.959 6.925 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_1xy4 1
. 6 . 1317 . 1 1 12 CYS C C -0.054 -7.789 4.802 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_1xy4 1
. 6 . 1318 . 1 1 12 CYS CA C 0.436 -7.018 3.576 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_1xy4 1
. 6 . 1319 . 1 1 12 CYS CB C 1.377 -7.861 2.710 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_1xy4 1
. 6 . 1320 . 1 1 12 CYS H H 2.076 -5.803 3.994 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_1xy4 1
. 6 . 1321 . 1 1 12 CYS HA H -0.400 -6.719 2.946 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_1xy4 1
. 6 . 1322 . 1 1 12 CYS HB2 H 2.158 -7.213 2.311 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_1xy4 1
. 6 . 1323 . 1 1 12 CYS HB3 H 1.869 -8.598 3.346 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_1xy4 1
. 6 . 1324 . 1 1 12 CYS N N 1.077 -5.795 4.030 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_1xy4 1
. 6 . 1325 . 1 1 12 CYS O O -1.351 -7.927 5.014 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_1xy4 1
. 6 . 1326 . 1 1 12 CYS SG S 0.568 -8.732 1.320 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_1xy4 1
. 7 . 1327 . 1 1 1 TYR C C -3.909 -7.126 0.643 . . . 1.0 . . . . . . . . . . . . A . 1 TYR C . . . . . . . . . rr_1xy4 1
. 7 . 1328 . 1 1 1 TYR CA C -4.903 -8.115 0.028 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CA . . . . . . . . . rr_1xy4 1
. 7 . 1329 . 1 1 1 TYR CB C -5.216 -7.679 -1.405 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CB . . . . . . . . . rr_1xy4 1
. 7 . 1330 . 1 1 1 TYR CD1 C -6.810 -5.733 -1.235 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD1 . . . . . . . . . rr_1xy4 1
. 7 . 1331 . 1 1 1 TYR CD2 C -7.644 -7.810 -2.074 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD2 . . . . . . . . . rr_1xy4 1
. 7 . 1332 . 1 1 1 TYR CE1 C -8.115 -5.145 -1.399 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE1 . . . . . . . . . rr_1xy4 1
. 7 . 1333 . 1 1 1 TYR CE2 C -8.948 -7.224 -2.239 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE2 . . . . . . . . . rr_1xy4 1
. 7 . 1334 . 1 1 1 TYR CG C -6.602 -7.054 -1.577 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CG . . . . . . . . . rr_1xy4 1
. 7 . 1335 . 1 1 1 TYR CZ C -9.119 -5.919 -1.892 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CZ . . . . . . . . . rr_1xy4 1
. 7 . 1336 . 1 1 1 TYR H1 H -6.033 -8.450 1.696 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H1 . . . . . . . . . rr_1xy4 1
. 7 . 1337 . 1 1 1 TYR H2 H -6.521 -7.123 0.784 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H2 . . . . . . . . . rr_1xy4 1
. 7 . 1338 . 1 1 1 TYR H3 H -6.210 -7.451 1.507 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H3 . . . . . . . . . rr_1xy4 1
. 7 . 1339 . 1 1 1 TYR HA H -4.495 -9.123 0.101 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HA . . . . . . . . . rr_1xy4 1
. 7 . 1340 . 1 1 1 TYR HB2 H -4.462 -6.961 -1.729 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB2 . . . . . . . . . rr_1xy4 1
. 7 . 1341 . 1 1 1 TYR HB3 H -5.135 -8.544 -2.063 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB3 . . . . . . . . . rr_1xy4 1
. 7 . 1342 . 1 1 1 TYR HD1 H -5.988 -5.136 -0.841 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD1 . . . . . . . . . rr_1xy4 1
. 7 . 1343 . 1 1 1 TYR HD2 H -7.479 -8.853 -2.344 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD2 . . . . . . . . . rr_1xy4 1
. 7 . 1344 . 1 1 1 TYR HE1 H -8.294 -4.102 -1.134 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE1 . . . . . . . . . rr_1xy4 1
. 7 . 1345 . 1 1 1 TYR HE2 H -9.778 -7.809 -2.631 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE2 . . . . . . . . . rr_1xy4 1
. 7 . 1346 . 1 1 1 TYR HH H -11.019 -6.071 -2.282 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HH . . . . . . . . . rr_1xy4 1
. 7 . 1347 . 1 1 1 TYR N N -6.169 -8.090 0.740 . . . 1.0 . . . . . . . . . . . . A . 1 TYR N . . . . . . . . . rr_1xy4 1
. 7 . 1348 . 1 1 1 TYR O O -4.124 -6.635 1.751 . . . 1.0 . . . . . . . . . . . . A . 1 TYR O . . . . . . . . . rr_1xy4 1
. 7 . 1349 . 1 1 1 TYR OH O -10.351 -5.364 -2.046 . . . 1.0 . . . . . . . . . . . . A . 1 TYR OH . . . . . . . . . rr_1xy4 1
. 7 . 1350 . 1 1 2 CYS C C -2.160 -4.545 -0.165 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_1xy4 1
. 7 . 1351 . 1 1 2 CYS CA C -1.820 -5.942 0.358 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_1xy4 1
. 7 . 1352 . 1 1 2 CYS CB C -0.424 -6.390 -0.077 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_1xy4 1
. 7 . 1353 . 1 1 2 CYS H H -2.681 -7.267 -1.002 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_1xy4 1
. 7 . 1354 . 1 1 2 CYS HA H -1.844 -5.965 1.445 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_1xy4 1
. 7 . 1355 . 1 1 2 CYS HB2 H -0.280 -6.120 -1.125 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_1xy4 1
. 7 . 1356 . 1 1 2 CYS HB3 H 0.317 -5.835 0.498 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_1xy4 1
. 7 . 1357 . 1 1 2 CYS N N -2.846 -6.862 -0.102 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_1xy4 1
. 7 . 1358 . 1 1 2 CYS O O -3.012 -4.396 -1.040 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_1xy4 1
. 7 . 1359 . 1 1 2 CYS SG S -0.095 -8.180 0.117 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_1xy4 1
. 7 . 1360 . 1 1 3 LYS C C -0.399 -1.388 0.170 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . rr_1xy4 1
. 7 . 1361 . 1 1 3 LYS CA C -1.696 -2.177 -0.004 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . rr_1xy4 1
. 7 . 1362 . 1 1 3 LYS CB C -2.885 -1.582 0.755 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . rr_1xy4 1
. 7 . 1363 . 1 1 3 LYS CD C -3.843 -1.167 3.051 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . rr_1xy4 1
. 7 . 1364 . 1 1 3 LYS CE C -4.647 -2.050 4.009 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . rr_1xy4 1
. 7 . 1365 . 1 1 3 LYS CG C -2.864 -2.006 2.226 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . rr_1xy4 1
. 7 . 1366 . 1 1 3 LYS H H -0.786 -3.687 1.105 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . rr_1xy4 1
. 7 . 1367 . 1 1 3 LYS HA H -1.960 -2.180 -1.062 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . rr_1xy4 1
. 7 . 1368 . 1 1 3 LYS HB2 H -2.859 -0.495 0.686 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . rr_1xy4 1
. 7 . 1369 . 1 1 3 LYS HB3 H -3.816 -1.907 0.293 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . rr_1xy4 1
. 7 . 1370 . 1 1 3 LYS HD2 H -3.294 -0.414 3.617 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . rr_1xy4 1
. 7 . 1371 . 1 1 3 LYS HD3 H -4.521 -0.634 2.386 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . rr_1xy4 1
. 7 . 1372 . 1 1 3 LYS HE2 H -5.194 -2.803 3.445 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . rr_1xy4 1
. 7 . 1373 . 1 1 3 LYS HE3 H -3.969 -2.580 4.677 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . rr_1xy4 1
. 7 . 1374 . 1 1 3 LYS HG2 H -3.123 -3.060 2.308 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . rr_1xy4 1
. 7 . 1375 . 1 1 3 LYS HG3 H -1.857 -1.892 2.626 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . rr_1xy4 1
. 7 . 1376 . 1 1 3 LYS HZ1 H -5.865 -1.688 5.661 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . rr_1xy4 1
. 7 . 1377 . 1 1 3 LYS HZ2 H -5.191 -0.334 5.060 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . rr_1xy4 1
. 7 . 1378 . 1 1 3 LYS N N -1.478 -3.557 0.394 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . rr_1xy4 1
. 7 . 1379 . 1 1 3 LYS NZ N -5.590 -1.229 4.799 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . rr_1xy4 1
. 7 . 1380 . 1 1 3 LYS O O 0.308 -1.559 1.164 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . rr_1xy4 1
. 7 . 1381 . 1 1 4 . C C 0.730 1.722 -0.416 . . . 1.0 . . . . . . . . . . . . A . 4 ILG C . . . . . . . . . rr_1xy4 1
. 7 . 1382 . 1 1 4 . CA C 1.079 0.276 -0.775 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CA . . . . . . . . . rr_1xy4 1
. 7 . 1383 . 1 1 4 . CB C 1.836 0.201 -2.131 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CB . . . . . . . . . rr_1xy4 1
. 7 . 1384 . 1 1 4 . CD C 2.900 -1.411 -3.957 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CD . . . . . . . . . rr_1xy4 1
. 7 . 1385 . 1 1 4 . CG C 1.849 -1.179 -2.869 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CG . . . . . . . . . rr_1xy4 1
. 7 . 1386 . 1 1 4 . H H -0.703 -0.405 -1.613 . . . 1.0 . . . . . . . . . . . . A . 4 ILG H . . . . . . . . . rr_1xy4 1
. 7 . 1387 . 1 1 4 . HA H 1.721 -0.126 0.031 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HA . . . . . . . . . rr_1xy4 1
. 7 . 1388 . 1 1 4 . HB2 H 1.413 0.959 -2.818 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB2 . . . . . . . . . rr_1xy4 1
. 7 . 1389 . 1 1 4 . HB3 H 2.882 0.532 -1.972 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB3 . . . . . . . . . rr_1xy4 1
. 7 . 1390 . 1 1 4 . HG2 H 1.969 -1.995 -2.131 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG2 . . . . . . . . . rr_1xy4 1
. 7 . 1391 . 1 1 4 . HG3 H 0.863 -1.374 -3.330 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG3 . . . . . . . . . rr_1xy4 1
. 7 . 1392 . 1 1 4 . N N -0.122 -0.540 -0.809 . . . 1.0 . . . . . . . . . . . . A . 4 ILG N . . . . . . . . . rr_1xy4 1
. 7 . 1393 . 1 1 4 . O O 1.553 2.622 -0.574 . . . 1.0 . . . . . . . . . . . . A . 4 ILG O . . . . . . . . . rr_1xy4 1
. 7 . 1394 . 1 1 4 . OE1 O 3.006 -2.470 -4.565 . . . 1.0 . . . . . . . . . . . . A . 4 ILG OE1 . . . . . . . . . rr_1xy4 1
. 7 . 1395 . 1 1 5 PHE C C -0.579 4.266 -0.604 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . rr_1xy4 1
. 7 . 1396 . 1 1 5 PHE CA C -0.962 3.220 0.446 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . rr_1xy4 1
. 7 . 1397 . 1 1 5 PHE CB C -0.282 3.569 1.770 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . rr_1xy4 1
. 7 . 1398 . 1 1 5 PHE CD1 C 0.241 1.322 2.741 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . rr_1xy4 1
. 7 . 1399 . 1 1 5 PHE CD2 C -1.244 2.717 3.920 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . rr_1xy4 1
. 7 . 1400 . 1 1 5 PHE CE1 C 0.099 0.325 3.744 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . rr_1xy4 1
. 7 . 1401 . 1 1 5 PHE CE2 C -1.387 1.723 4.922 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . rr_1xy4 1
. 7 . 1402 . 1 1 5 PHE CG C -0.434 2.496 2.851 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . rr_1xy4 1
. 7 . 1403 . 1 1 5 PHE CZ C -0.712 0.546 4.813 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . rr_1xy4 1
. 7 . 1404 . 1 1 5 PHE H H -1.158 1.162 0.187 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . rr_1xy4 1
. 7 . 1405 . 1 1 5 PHE HA H -2.049 3.169 0.523 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . rr_1xy4 1
. 7 . 1406 . 1 1 5 PHE HB2 H 0.781 3.736 1.587 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . rr_1xy4 1
. 7 . 1407 . 1 1 5 PHE HB3 H -0.692 4.506 2.144 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . rr_1xy4 1
. 7 . 1408 . 1 1 5 PHE HD1 H 0.892 1.143 1.884 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . rr_1xy4 1
. 7 . 1409 . 1 1 5 PHE HD2 H -1.787 3.660 4.006 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . rr_1xy4 1
. 7 . 1410 . 1 1 5 PHE HE1 H 0.640 -0.618 3.656 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . rr_1xy4 1
. 7 . 1411 . 1 1 5 PHE HE2 H -2.037 1.900 5.779 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . rr_1xy4 1
. 7 . 1412 . 1 1 5 PHE HZ H -0.821 -0.218 5.581 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . rr_1xy4 1
. 7 . 1413 . 1 1 5 PHE N N -0.493 1.900 0.062 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . rr_1xy4 1
. 7 . 1414 . 1 1 5 PHE O O -0.408 3.937 -1.777 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . rr_1xy4 1
. 7 . 1415 . 1 1 6 DTR C C 1.355 6.384 -1.474 . . . 1.0 . . . . . . . . . . . . A . 6 DTR C . . . . . . . . . rr_1xy4 1
. 7 . 1416 . 1 1 6 DTR CA C -0.092 6.596 -1.027 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CA . . . . . . . . . rr_1xy4 1
. 7 . 1417 . 1 1 6 DTR CB C -1.090 6.561 -2.186 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CB . . . . . . . . . rr_1xy4 1
. 7 . 1418 . 1 1 6 DTR CD1 C -3.298 6.310 -0.873 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD1 . . . . . . . . . rr_1xy4 1
. 7 . 1419 . 1 1 6 DTR CD2 C -3.049 4.787 -2.461 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD2 . . . . . . . . . rr_1xy4 1
. 7 . 1420 . 1 1 6 DTR CE2 C -4.256 4.542 -1.842 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE2 . . . . . . . . . rr_1xy4 1
. 7 . 1421 . 1 1 6 DTR CE3 C -2.595 3.986 -3.525 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE3 . . . . . . . . . rr_1xy4 1
. 7 . 1422 . 1 1 6 DTR CG C -2.438 5.931 -1.827 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CG . . . . . . . . . rr_1xy4 1
. 7 . 1423 . 1 1 6 DTR CH2 C -4.680 2.686 -3.268 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CH2 . . . . . . . . . rr_1xy4 1
. 7 . 1424 . 1 1 6 DTR CZ2 C -5.111 3.496 -2.213 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ2 . . . . . . . . . rr_1xy4 1
. 7 . 1425 . 1 1 6 DTR CZ3 C -3.460 2.946 -3.883 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ3 . . . . . . . . . rr_1xy4 1
. 7 . 1426 . 1 1 6 DTR H H -0.593 5.758 0.814 . . . 1.0 . . . . . . . . . . . . A . 6 DTR H . . . . . . . . . rr_1xy4 1
. 7 . 1427 . 1 1 6 DTR HA H -0.174 7.508 -0.436 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HA . . . . . . . . . rr_1xy4 1
. 7 . 1428 . 1 1 6 DTR HB2 H -1.259 7.578 -2.539 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB2 . . . . . . . . . rr_1xy4 1
. 7 . 1429 . 1 1 6 DTR HB3 H -0.650 6.003 -3.014 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB3 . . . . . . . . . rr_1xy4 1
. 7 . 1430 . 1 1 6 DTR HD1 H -3.136 7.154 -0.202 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HD1 . . . . . . . . . rr_1xy4 1
. 7 . 1431 . 1 1 6 DTR HE1 H -5.262 5.588 -0.165 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE1 . . . . . . . . . rr_1xy4 1
. 7 . 1432 . 1 1 6 DTR HE3 H -1.644 4.161 -4.030 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE3 . . . . . . . . . rr_1xy4 1
. 7 . 1433 . 1 1 6 DTR HH2 H -5.298 1.853 -3.608 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HH2 . . . . . . . . . rr_1xy4 1
. 7 . 1434 . 1 1 6 DTR HZ2 H -6.061 3.324 -1.707 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ2 . . . . . . . . . rr_1xy4 1
. 7 . 1435 . 1 1 6 DTR HZ3 H -3.157 2.293 -4.702 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ3 . . . . . . . . . rr_1xy4 1
. 7 . 1436 . 1 1 6 DTR N N -0.453 5.501 -0.142 . . . 1.0 . . . . . . . . . . . . A . 6 DTR N . . . . . . . . . rr_1xy4 1
. 7 . 1437 . 1 1 6 DTR NE1 N -4.413 5.498 -0.844 . . . 1.0 . . . . . . . . . . . . A . 6 DTR NE1 . . . . . . . . . rr_1xy4 1
. 7 . 1438 . 1 1 6 DTR O O 2.244 7.145 -1.096 . . . 1.0 . . . . . . . . . . . . A . 6 DTR O . . . . . . . . . rr_1xy4 1
. 7 . 1439 . 1 1 7 IAM C C 3.928 5.185 -1.686 . . . 1.0 . . . . . . . . . . . . A . 7 IAM C . . . . . . . . . rr_1xy4 1
. 7 . 1440 . 1 1 7 IAM CA C 2.872 5.025 -2.781 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CA . . . . . . . . . rr_1xy4 1
. 7 . 1441 . 1 1 7 IAM CB C 3.172 6.011 -3.911 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CB . . . . . . . . . rr_1xy4 1
. 7 . 1442 . 1 1 7 IAM CD1 C 3.329 4.505 -5.905 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD1 . . . . . . . . . rr_1xy4 1
. 7 . 1443 . 1 1 7 IAM CD2 C 1.651 6.157 -5.895 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD2 . . . . . . . . . rr_1xy4 1
. 7 . 1444 . 1 1 7 IAM CE1 C 2.890 4.067 -7.183 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE1 . . . . . . . . . rr_1xy4 1
. 7 . 1445 . 1 1 7 IAM CE2 C 1.211 5.721 -7.173 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE2 . . . . . . . . . rr_1xy4 1
. 7 . 1446 . 1 1 7 IAM CG C 2.700 5.541 -5.288 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CG . . . . . . . . . rr_1xy4 1
. 7 . 1447 . 1 1 7 IAM CI C -0.166 2.516 -8.012 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CI . . . . . . . . . rr_1xy4 1
. 7 . 1448 . 1 1 7 IAM CK1 C -0.461 1.003 -8.031 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK1 . . . . . . . . . rr_1xy4 1
. 7 . 1449 . 1 1 7 IAM CK2 C -1.465 3.297 -8.275 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK2 . . . . . . . . . rr_1xy4 1
. 7 . 1450 . 1 1 7 IAM CT C 1.365 4.211 -9.174 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CT . . . . . . . . . rr_1xy4 1
. 7 . 1451 . 1 1 7 IAM CZ C 1.841 4.685 -7.791 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CZ . . . . . . . . . rr_1xy4 1
. 7 . 1452 . 1 1 7 IAM H H 0.818 4.732 -2.580 . . . 1.0 . . . . . . . . . . . . A . 7 IAM H . . . . . . . . . rr_1xy4 1
. 7 . 1453 . 1 1 7 IAM HA H 2.847 3.987 -3.110 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HA . . . . . . . . . rr_1xy4 1
. 7 . 1454 . 1 1 7 IAM HB H 2.699 6.964 -3.682 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB . . . . . . . . . rr_1xy4 1
. 7 . 1455 . 1 1 7 IAM HB1 H 4.246 6.189 -3.949 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB1 . . . . . . . . . rr_1xy4 1
. 7 . 1456 . 1 1 7 IAM HD1 H 4.170 4.010 -5.420 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD1 . . . . . . . . . rr_1xy4 1
. 7 . 1457 . 1 1 7 IAM HD2 H 1.147 6.988 -5.399 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD2 . . . . . . . . . rr_1xy4 1
. 7 . 1458 . 1 1 7 IAM HE1 H 3.393 3.236 -7.678 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE1 . . . . . . . . . rr_1xy4 1
. 7 . 1459 . 1 1 7 IAM HE2 H 0.371 6.214 -7.658 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE2 . . . . . . . . . rr_1xy4 1
. 7 . 1460 . 1 1 7 IAM HH H 1.138 2.107 -9.718 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HH . . . . . . . . . rr_1xy4 1
. 7 . 1461 . 1 1 7 IAM HI H 0.228 2.789 -7.055 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HI . . . . . . . . . rr_1xy4 1
. 7 . 1462 . 1 1 7 IAM HK11 H -0.854 0.729 -8.989 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK11 . . . . . . . . . rr_1xy4 1
. 7 . 1463 . 1 1 7 IAM HK12 H 0.443 0.462 -7.848 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK12 . . . . . . . . . rr_1xy4 1
. 7 . 1464 . 1 1 7 IAM HK13 H -1.176 0.771 -7.271 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK13 . . . . . . . . . rr_1xy4 1
. 7 . 1465 . 1 1 7 IAM HK21 H -1.259 4.345 -8.263 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK21 . . . . . . . . . rr_1xy4 1
. 7 . 1466 . 1 1 7 IAM HK22 H -1.860 3.023 -9.232 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK22 . . . . . . . . . rr_1xy4 1
. 7 . 1467 . 1 1 7 IAM HK23 H -2.183 3.064 -7.516 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK23 . . . . . . . . . rr_1xy4 1
. 7 . 1468 . 1 1 7 IAM HT1 H 2.190 4.217 -9.858 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT1 . . . . . . . . . rr_1xy4 1
. 7 . 1469 . 1 1 7 IAM HT2 H 0.598 4.867 -9.533 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT2 . . . . . . . . . rr_1xy4 1
. 7 . 1470 . 1 1 7 IAM N N 1.547 5.346 -2.277 . . . 1.0 . . . . . . . . . . . . A . 7 IAM N . . . . . . . . . rr_1xy4 1
. 7 . 1471 . 1 1 7 IAM NH N 0.824 2.839 -9.063 . . . 1.0 . . . . . . . . . . . . A . 7 IAM NH . . . . . . . . . rr_1xy4 1
. 7 . 1472 . 1 1 7 IAM O O 4.939 5.855 -1.888 . . . 1.0 . . . . . . . . . . . . A . 7 IAM O . . . . . . . . . rr_1xy4 1
. 7 . 1473 . 1 1 8 THR C C 4.869 3.220 1.104 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . rr_1xy4 1
. 7 . 1474 . 1 1 8 THR CA C 4.574 4.624 0.576 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . rr_1xy4 1
. 7 . 1475 . 1 1 8 THR CB C 3.964 5.553 1.629 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . rr_1xy4 1
. 7 . 1476 . 1 1 8 THR CG2 C 2.724 4.951 2.292 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . rr_1xy4 1
. 7 . 1477 . 1 1 8 THR H H 2.833 4.015 -0.394 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . rr_1xy4 1
. 7 . 1478 . 1 1 8 THR HA H 5.520 5.040 0.228 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . rr_1xy4 1
. 7 . 1479 . 1 1 8 THR HB H 3.740 6.531 1.201 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . rr_1xy4 1
. 7 . 1480 . 1 1 8 THR HG1 H 5.129 4.656 2.984 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . rr_1xy4 1
. 7 . 1481 . 1 1 8 THR HG21 H 2.629 5.343 3.305 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . rr_1xy4 1
. 7 . 1482 . 1 1 8 THR HG22 H 1.838 5.218 1.716 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . rr_1xy4 1
. 7 . 1483 . 1 1 8 THR HG23 H 2.822 3.866 2.329 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . rr_1xy4 1
. 7 . 1484 . 1 1 8 THR N N 3.659 4.559 -0.551 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . rr_1xy4 1
. 7 . 1485 . 1 1 8 THR O O 5.053 2.286 0.327 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . rr_1xy4 1
. 7 . 1486 . 1 1 8 THR OG1 O 4.936 5.585 2.670 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . rr_1xy4 1
. 7 . 1487 . 1 1 9 PHE C C 4.157 0.783 2.638 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . rr_1xy4 1
. 7 . 1488 . 1 1 9 PHE CA C 5.177 1.839 3.067 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . rr_1xy4 1
. 7 . 1489 . 1 1 9 PHE CB C 5.057 2.063 4.576 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . rr_1xy4 1
. 7 . 1490 . 1 1 9 PHE CD1 C 2.629 2.505 5.008 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . rr_1xy4 1
. 7 . 1491 . 1 1 9 PHE CD2 C 4.150 4.280 5.306 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . rr_1xy4 1
. 7 . 1492 . 1 1 9 PHE CE1 C 1.558 3.360 5.382 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . rr_1xy4 1
. 7 . 1493 . 1 1 9 PHE CE2 C 3.079 5.134 5.680 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . rr_1xy4 1
. 7 . 1494 . 1 1 9 PHE CG C 3.903 2.984 4.978 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . rr_1xy4 1
. 7 . 1495 . 1 1 9 PHE CZ C 1.807 4.656 5.710 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . rr_1xy4 1
. 7 . 1496 . 1 1 9 PHE H H 4.756 3.879 3.052 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . rr_1xy4 1
. 7 . 1497 . 1 1 9 PHE HA H 6.174 1.525 2.758 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . rr_1xy4 1
. 7 . 1498 . 1 1 9 PHE HB2 H 4.927 1.098 5.068 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . rr_1xy4 1
. 7 . 1499 . 1 1 9 PHE HB3 H 5.991 2.486 4.945 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . rr_1xy4 1
. 7 . 1500 . 1 1 9 PHE HD1 H 2.432 1.465 4.746 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . rr_1xy4 1
. 7 . 1501 . 1 1 9 PHE HD2 H 5.170 4.663 5.281 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . rr_1xy4 1
. 7 . 1502 . 1 1 9 PHE HE1 H 0.539 2.976 5.405 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . rr_1xy4 1
. 7 . 1503 . 1 1 9 PHE HE2 H 3.276 6.174 5.943 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . rr_1xy4 1
. 7 . 1504 . 1 1 9 PHE HZ H 0.984 5.311 5.997 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . rr_1xy4 1
. 7 . 1505 . 1 1 9 PHE N N 4.906 3.114 2.425 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . rr_1xy4 1
. 7 . 1506 . 1 1 9 PHE O O 3.033 1.115 2.265 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . rr_1xy4 1
. 7 . 1507 . 1 1 10 LYS C C 3.196 -2.259 3.595 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_1xy4 1
. 7 . 1508 . 1 1 10 LYS CA C 3.724 -1.578 2.331 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_1xy4 1
. 7 . 1509 . 1 1 10 LYS CB C 4.456 -2.527 1.380 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_1xy4 1
. 7 . 1510 . 1 1 10 LYS CD C 4.358 -2.008 -1.086 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_1xy4 1
. 7 . 1511 . 1 1 10 LYS CE C 5.335 -2.142 -2.254 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_1xy4 1
. 7 . 1512 . 1 1 10 LYS CG C 5.102 -1.758 0.227 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_1xy4 1
. 7 . 1513 . 1 1 10 LYS H H 5.501 -0.732 3.014 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_1xy4 1
. 7 . 1514 . 1 1 10 LYS HA H 2.878 -1.163 1.783 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_1xy4 1
. 7 . 1515 . 1 1 10 LYS HB2 H 5.221 -3.078 1.928 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_1xy4 1
. 7 . 1516 . 1 1 10 LYS HB3 H 3.757 -3.262 0.985 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_1xy4 1
. 7 . 1517 . 1 1 10 LYS HD2 H 3.760 -2.918 -1.000 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_1xy4 1
. 7 . 1518 . 1 1 10 LYS HD3 H 3.665 -1.190 -1.278 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_1xy4 1
. 7 . 1519 . 1 1 10 LYS HE2 H 6.241 -1.574 -2.043 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_1xy4 1
. 7 . 1520 . 1 1 10 LYS HE3 H 5.630 -3.184 -2.371 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_1xy4 1
. 7 . 1521 . 1 1 10 LYS HG2 H 5.103 -0.692 0.451 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_1xy4 1
. 7 . 1522 . 1 1 10 LYS HG3 H 6.143 -2.062 0.121 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_1xy4 1
. 7 . 1523 . 1 1 10 LYS HZ3 H 4.427 -2.457 -4.083 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_1xy4 1
. 7 . 1524 . 1 1 10 LYS N N 4.585 -0.470 2.708 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_1xy4 1
. 7 . 1525 . 1 1 10 LYS NZ N 4.716 -1.654 -3.506 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_1xy4 1
. 7 . 1526 . 1 1 10 LYS O O 3.925 -2.412 4.574 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_1xy4 1
. 7 . 1527 . 1 1 11 SER C C 1.285 -4.827 4.437 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_1xy4 1
. 7 . 1528 . 1 1 11 SER CA C 1.297 -3.314 4.659 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_1xy4 1
. 7 . 1529 . 1 1 11 SER CB C -0.132 -2.758 4.878 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_1xy4 1
. 7 . 1530 . 1 1 11 SER H H 1.344 -2.524 2.733 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_1xy4 1
. 7 . 1531 . 1 1 11 SER HA H 1.888 -3.129 5.576 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_1xy4 1
. 7 . 1532 . 1 1 11 SER HB2 H -0.131 -2.049 5.730 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_1xy4 1
. 7 . 1533 . 1 1 11 SER HB3 H -0.467 -2.159 4.009 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_1xy4 1
. 7 . 1534 . 1 1 11 SER HG H -1.138 -4.350 4.371 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_1xy4 1
. 7 . 1535 . 1 1 11 SER N N 1.931 -2.652 3.533 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_1xy4 1
. 7 . 1536 . 1 1 11 SER O O 1.818 -5.582 5.251 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_1xy4 1
. 7 . 1537 . 1 1 11 SER OG O -1.092 -3.784 5.148 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_1xy4 1
. 7 . 1538 . 1 1 12 CYS C C 0.264 -7.418 4.271 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_1xy4 1
. 7 . 1539 . 1 1 12 CYS CA C 0.583 -6.637 2.995 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_1xy4 1
. 7 . 1540 . 1 1 12 CYS CB C 1.862 -7.139 2.322 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_1xy4 1
. 7 . 1541 . 1 1 12 CYS H H 0.241 -4.606 2.678 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_1xy4 1
. 7 . 1542 . 1 1 12 CYS HA H -0.224 -6.734 2.271 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_1xy4 1
. 7 . 1543 . 1 1 12 CYS HB2 H 2.360 -6.294 1.845 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_1xy4 1
. 7 . 1544 . 1 1 12 CYS HB3 H 2.538 -7.513 3.092 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_1xy4 1
. 7 . 1545 . 1 1 12 CYS N N 0.673 -5.227 3.333 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_1xy4 1
. 7 . 1546 . 1 1 12 CYS O O 0.025 -6.767 5.395 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_1xy4 1
. 7 . 1547 . 1 1 12 CYS SG S 1.609 -8.452 1.074 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_1xy4 1
. 8 . 1548 . 1 1 1 TYR C C -3.127 -6.992 1.063 . . . 1.0 . . . . . . . . . . . . A . 1 TYR C . . . . . . . . . rr_1xy4 1
. 8 . 1549 . 1 1 1 TYR CA C -4.303 -7.955 1.234 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CA . . . . . . . . . rr_1xy4 1
. 8 . 1550 . 1 1 1 TYR CB C -5.036 -8.089 -0.101 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CB . . . . . . . . . rr_1xy4 1
. 8 . 1551 . 1 1 1 TYR CD1 C -6.440 -5.996 -0.024 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD1 . . . . . . . . . rr_1xy4 1
. 8 . 1552 . 1 1 1 TYR CD2 C -7.549 -8.094 -0.308 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD2 . . . . . . . . . rr_1xy4 1
. 8 . 1553 . 1 1 1 TYR CE1 C -7.710 -5.317 -0.066 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE1 . . . . . . . . . rr_1xy4 1
. 8 . 1554 . 1 1 1 TYR CE2 C -8.820 -7.417 -0.350 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE2 . . . . . . . . . rr_1xy4 1
. 8 . 1555 . 1 1 1 TYR CG C -6.386 -7.369 -0.146 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CG . . . . . . . . . rr_1xy4 1
. 8 . 1556 . 1 1 1 TYR CZ C -8.837 -6.062 -0.228 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CZ . . . . . . . . . rr_1xy4 1
. 8 . 1557 . 1 1 1 TYR H1 H -6.093 -8.051 2.213 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H1 . . . . . . . . . rr_1xy4 1
. 8 . 1558 . 1 1 1 TYR H2 H -4.851 -7.357 3.110 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H2 . . . . . . . . . rr_1xy4 1
. 8 . 1559 . 1 1 1 TYR H3 H -5.045 -6.532 2.562 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H3 . . . . . . . . . rr_1xy4 1
. 8 . 1560 . 1 1 1 TYR HA H -3.934 -8.901 1.630 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HA . . . . . . . . . rr_1xy4 1
. 8 . 1561 . 1 1 1 TYR HB2 H -4.401 -7.694 -0.895 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB2 . . . . . . . . . rr_1xy4 1
. 8 . 1562 . 1 1 1 TYR HB3 H -5.193 -9.146 -0.314 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB3 . . . . . . . . . rr_1xy4 1
. 8 . 1563 . 1 1 1 TYR HD1 H -5.522 -5.424 0.103 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD1 . . . . . . . . . rr_1xy4 1
. 8 . 1564 . 1 1 1 TYR HD2 H -7.505 -9.179 -0.405 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD2 . . . . . . . . . rr_1xy4 1
. 8 . 1565 . 1 1 1 TYR HE1 H -7.768 -4.234 0.029 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE1 . . . . . . . . . rr_1xy4 1
. 8 . 1566 . 1 1 1 TYR HE2 H -9.746 -7.977 -0.477 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE2 . . . . . . . . . rr_1xy4 1
. 8 . 1567 . 1 1 1 TYR HH H -9.896 -4.433 -0.305 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HH . . . . . . . . . rr_1xy4 1
. 8 . 1568 . 1 1 1 TYR N N -5.276 -7.424 2.174 . . . 1.0 . . . . . . . . . . . . A . 1 TYR N . . . . . . . . . rr_1xy4 1
. 8 . 1569 . 1 1 1 TYR O O -2.955 -6.068 1.856 . . . 1.0 . . . . . . . . . . . . A . 1 TYR O . . . . . . . . . rr_1xy4 1
. 8 . 1570 . 1 1 1 TYR OH O -10.037 -5.422 -0.268 . . . 1.0 . . . . . . . . . . . . A . 1 TYR OH . . . . . . . . . rr_1xy4 1
. 8 . 1571 . 1 1 2 CYS C C -1.686 -5.008 -0.626 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_1xy4 1
. 8 . 1572 . 1 1 2 CYS CA C -1.190 -6.409 -0.265 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_1xy4 1
. 8 . 1573 . 1 1 2 CYS CB C -0.321 -7.011 -1.370 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_1xy4 1
. 8 . 1574 . 1 1 2 CYS H H -2.493 -7.997 -0.618 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_1xy4 1
. 8 . 1575 . 1 1 2 CYS HA H -0.590 -6.385 0.643 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_1xy4 1
. 8 . 1576 . 1 1 2 CYS HB2 H -0.838 -7.873 -1.793 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_1xy4 1
. 8 . 1577 . 1 1 2 CYS HB3 H -0.216 -6.279 -2.171 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_1xy4 1
. 8 . 1578 . 1 1 2 CYS N N -2.346 -7.243 0.021 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_1xy4 1
. 8 . 1579 . 1 1 2 CYS O O -2.556 -4.856 -1.482 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_1xy4 1
. 8 . 1580 . 1 1 2 CYS SG S 1.350 -7.535 -0.835 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_1xy4 1
. 8 . 1581 . 1 1 3 LYS C C -0.309 -1.726 0.178 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . rr_1xy4 1
. 8 . 1582 . 1 1 3 LYS CA C -1.481 -2.637 -0.197 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . rr_1xy4 1
. 8 . 1583 . 1 1 3 LYS CB C -2.782 -2.298 0.533 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . rr_1xy4 1
. 8 . 1584 . 1 1 3 LYS CD C -3.909 -2.127 2.783 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . rr_1xy4 1
. 8 . 1585 . 1 1 3 LYS CE C -4.717 -3.292 3.356 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . rr_1xy4 1
. 8 . 1586 . 1 1 3 LYS CG C -2.680 -2.632 2.022 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . rr_1xy4 1
. 8 . 1587 . 1 1 3 LYS H H -0.402 -4.154 0.738 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . rr_1xy4 1
. 8 . 1588 . 1 1 3 LYS HA H -1.673 -2.532 -1.264 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . rr_1xy4 1
. 8 . 1589 . 1 1 3 LYS HB2 H -3.007 -1.237 0.409 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . rr_1xy4 1
. 8 . 1590 . 1 1 3 LYS HB3 H -3.609 -2.851 0.087 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . rr_1xy4 1
. 8 . 1591 . 1 1 3 LYS HD2 H -3.593 -1.465 3.590 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . rr_1xy4 1
. 8 . 1592 . 1 1 3 LYS HD3 H -4.537 -1.537 2.115 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . rr_1xy4 1
. 8 . 1593 . 1 1 3 LYS HE2 H -4.456 -4.212 2.834 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . rr_1xy4 1
. 8 . 1594 . 1 1 3 LYS HE3 H -4.460 -3.437 4.406 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . rr_1xy4 1
. 8 . 1595 . 1 1 3 LYS HG2 H -2.586 -3.709 2.150 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . rr_1xy4 1
. 8 . 1596 . 1 1 3 LYS HG3 H -1.779 -2.180 2.439 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . rr_1xy4 1
. 8 . 1597 . 1 1 3 LYS HZ1 H -6.712 -3.572 3.887 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . rr_1xy4 1
. 8 . 1598 . 1 1 3 LYS HZ2 H -6.394 -2.057 3.386 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . rr_1xy4 1
. 8 . 1599 . 1 1 3 LYS N N -1.110 -4.021 0.044 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . rr_1xy4 1
. 8 . 1600 . 1 1 3 LYS NZ N -6.166 -3.031 3.224 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . rr_1xy4 1
. 8 . 1601 . 1 1 3 LYS O O 0.048 -1.620 1.349 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . rr_1xy4 1
. 8 . 1602 . 1 1 4 . C C 0.878 1.227 -0.359 . . . 1.0 . . . . . . . . . . . . A . 4 ILG C . . . . . . . . . rr_1xy4 1
. 8 . 1603 . 1 1 4 . CA C 1.378 -0.195 -0.632 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CA . . . . . . . . . rr_1xy4 1
. 8 . 1604 . 1 1 4 . CB C 2.345 -0.228 -1.849 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CB . . . . . . . . . rr_1xy4 1
. 8 . 1605 . 1 1 4 . CD C 3.989 -1.781 -3.243 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CD . . . . . . . . . rr_1xy4 1
. 8 . 1606 . 1 1 4 . CG C 2.687 -1.629 -2.454 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CG . . . . . . . . . rr_1xy4 1
. 8 . 1607 . 1 1 4 . H H -0.043 -1.184 -1.790 . . . 1.0 . . . . . . . . . . . . A . 4 ILG H . . . . . . . . . rr_1xy4 1
. 8 . 1608 . 1 1 4 . HA H 1.907 -0.545 0.272 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HA . . . . . . . . . rr_1xy4 1
. 8 . 1609 . 1 1 4 . HB2 H 1.927 0.408 -2.654 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB2 . . . . . . . . . rr_1xy4 1
. 8 . 1610 . 1 1 4 . HB3 H 3.287 0.281 -1.566 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB3 . . . . . . . . . rr_1xy4 1
. 8 . 1611 . 1 1 4 . HG2 H 2.712 -2.387 -1.649 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG2 . . . . . . . . . rr_1xy4 1
. 8 . 1612 . 1 1 4 . HG3 H 1.869 -1.967 -3.118 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG3 . . . . . . . . . rr_1xy4 1
. 8 . 1613 . 1 1 4 . N N 0.254 -1.093 -0.840 . . . 1.0 . . . . . . . . . . . . A . 4 ILG N . . . . . . . . . rr_1xy4 1
. 8 . 1614 . 1 1 4 . O O 1.636 2.188 -0.470 . . . 1.0 . . . . . . . . . . . . A . 4 ILG O . . . . . . . . . rr_1xy4 1
. 8 . 1615 . 1 1 4 . OE1 O 4.356 -2.844 -3.726 . . . 1.0 . . . . . . . . . . . . A . 4 ILG OE1 . . . . . . . . . rr_1xy4 1
. 8 . 1616 . 1 1 5 PHE C C -0.587 3.650 -0.750 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . rr_1xy4 1
. 8 . 1617 . 1 1 5 PHE CA C -1.007 2.600 0.280 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . rr_1xy4 1
. 8 . 1618 . 1 1 5 PHE CB C -0.509 3.031 1.661 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . rr_1xy4 1
. 8 . 1619 . 1 1 5 PHE CD1 C 0.129 0.967 2.928 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . rr_1xy4 1
. 8 . 1620 . 1 1 5 PHE CD2 C -1.838 2.096 3.568 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . rr_1xy4 1
. 8 . 1621 . 1 1 5 PHE CE1 C -0.092 0.004 3.949 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . rr_1xy4 1
. 8 . 1622 . 1 1 5 PHE CE2 C -2.060 1.133 4.588 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . rr_1xy4 1
. 8 . 1623 . 1 1 5 PHE CG C -0.749 1.993 2.761 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . rr_1xy4 1
. 8 . 1624 . 1 1 5 PHE CZ C -1.181 0.108 4.757 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . rr_1xy4 1
. 8 . 1625 . 1 1 5 PHE H H -1.008 0.528 0.078 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . rr_1xy4 1
. 8 . 1626 . 1 1 5 PHE HA H -2.088 2.463 0.236 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . rr_1xy4 1
. 8 . 1627 . 1 1 5 PHE HB2 H 0.559 3.242 1.601 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . rr_1xy4 1
. 8 . 1628 . 1 1 5 PHE HB3 H -1.004 3.961 1.941 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . rr_1xy4 1
. 8 . 1629 . 1 1 5 PHE HD1 H 1.003 0.885 2.282 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . rr_1xy4 1
. 8 . 1630 . 1 1 5 PHE HD2 H -2.542 2.918 3.432 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . rr_1xy4 1
. 8 . 1631 . 1 1 5 PHE HE1 H 0.611 -0.817 4.084 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . rr_1xy4 1
. 8 . 1632 . 1 1 5 PHE HE2 H -2.932 1.217 5.236 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . rr_1xy4 1
. 8 . 1633 . 1 1 5 PHE HZ H -1.352 -0.632 5.539 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . rr_1xy4 1
. 8 . 1634 . 1 1 5 PHE N N -0.398 1.313 -0.008 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . rr_1xy4 1
. 8 . 1635 . 1 1 5 PHE O O -0.162 3.309 -1.851 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . rr_1xy4 1
. 8 . 1636 . 1 1 6 DTR C C 1.135 5.899 -1.536 . . . 1.0 . . . . . . . . . . . . A . 6 DTR C . . . . . . . . . rr_1xy4 1
. 8 . 1637 . 1 1 6 DTR CA C -0.360 6.010 -1.229 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CA . . . . . . . . . rr_1xy4 1
. 8 . 1638 . 1 1 6 DTR CB C -1.239 5.877 -2.475 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CB . . . . . . . . . rr_1xy4 1
. 8 . 1639 . 1 1 6 DTR CD1 C -3.190 7.279 -1.532 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD1 . . . . . . . . . rr_1xy4 1
. 8 . 1640 . 1 1 6 DTR CD2 C -2.847 7.605 -3.696 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD2 . . . . . . . . . rr_1xy4 1
. 8 . 1641 . 1 1 6 DTR CE2 C -3.907 8.404 -3.323 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE2 . . . . . . . . . rr_1xy4 1
. 8 . 1642 . 1 1 6 DTR CE3 C -2.377 7.581 -5.022 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE3 . . . . . . . . . rr_1xy4 1
. 8 . 1643 . 1 1 6 DTR CG C -2.392 6.882 -2.532 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CG . . . . . . . . . rr_1xy4 1
. 8 . 1644 . 1 1 6 DTR CH2 C -4.138 9.236 -5.540 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CH2 . . . . . . . . . rr_1xy4 1
. 8 . 1645 . 1 1 6 DTR CZ2 C -4.586 9.242 -4.214 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ2 . . . . . . . . . rr_1xy4 1
. 8 . 1646 . 1 1 6 DTR CZ3 C -3.068 8.424 -5.900 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ3 . . . . . . . . . rr_1xy4 1
. 8 . 1647 . 1 1 6 DTR H H -1.067 5.177 0.544 . . . 1.0 . . . . . . . . . . . . A . 6 DTR H . . . . . . . . . rr_1xy4 1
. 8 . 1648 . 1 1 6 DTR HA H -0.563 6.924 -0.673 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HA . . . . . . . . . rr_1xy4 1
. 8 . 1649 . 1 1 6 DTR HB2 H -0.616 6.005 -3.362 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB2 . . . . . . . . . rr_1xy4 1
. 8 . 1650 . 1 1 6 DTR HB3 H -1.648 4.868 -2.513 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB3 . . . . . . . . . rr_1xy4 1
. 8 . 1651 . 1 1 6 DTR HD1 H -3.113 6.920 -0.506 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HD1 . . . . . . . . . rr_1xy4 1
. 8 . 1652 . 1 1 6 DTR HE1 H -4.887 8.681 -1.354 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE1 . . . . . . . . . rr_1xy4 1
. 8 . 1653 . 1 1 6 DTR HE3 H -1.541 6.958 -5.339 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE3 . . . . . . . . . rr_1xy4 1
. 8 . 1654 . 1 1 6 DTR HH2 H -4.623 9.866 -6.286 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HH2 . . . . . . . . . rr_1xy4 1
. 8 . 1655 . 1 1 6 DTR HZ2 H -5.421 9.865 -3.894 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ2 . . . . . . . . . rr_1xy4 1
. 8 . 1656 . 1 1 6 DTR HZ3 H -2.745 8.444 -6.942 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ3 . . . . . . . . . rr_1xy4 1
. 8 . 1657 . 1 1 6 DTR N N -0.720 4.908 -0.353 . . . 1.0 . . . . . . . . . . . . A . 6 DTR N . . . . . . . . . rr_1xy4 1
. 8 . 1658 . 1 1 6 DTR NE1 N -4.122 8.200 -1.964 . . . 1.0 . . . . . . . . . . . . A . 6 DTR NE1 . . . . . . . . . rr_1xy4 1
. 8 . 1659 . 1 1 6 DTR O O 1.954 6.555 -0.894 . . . 1.0 . . . . . . . . . . . . A . 6 DTR O . . . . . . . . . rr_1xy4 1
. 8 . 1660 . 1 1 7 IAM C C 3.777 5.087 -1.741 . . . 1.0 . . . . . . . . . . . . A . 7 IAM C . . . . . . . . . rr_1xy4 1
. 8 . 1661 . 1 1 7 IAM CA C 2.828 4.863 -2.919 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CA . . . . . . . . . rr_1xy4 1
. 8 . 1662 . 1 1 7 IAM CB C 3.134 5.893 -4.009 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CB . . . . . . . . . rr_1xy4 1
. 8 . 1663 . 1 1 7 IAM CD1 C 1.667 6.306 -5.996 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD1 . . . . . . . . . rr_1xy4 1
. 8 . 1664 . 1 1 7 IAM CD2 C 3.040 4.392 -6.011 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD2 . . . . . . . . . rr_1xy4 1
. 8 . 1665 . 1 1 7 IAM CE1 C 1.165 5.955 -7.278 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE1 . . . . . . . . . rr_1xy4 1
. 8 . 1666 . 1 1 7 IAM CE2 C 2.539 4.042 -7.294 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE2 . . . . . . . . . rr_1xy4 1
. 8 . 1667 . 1 1 7 IAM CG C 2.594 5.516 -5.390 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CG . . . . . . . . . rr_1xy4 1
. 8 . 1668 . 1 1 7 IAM CI C -1.032 3.193 -8.541 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CI . . . . . . . . . rr_1xy4 1
. 8 . 1669 . 1 1 7 IAM CK1 C -0.910 2.607 -7.121 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK1 . . . . . . . . . rr_1xy4 1
. 8 . 1670 . 1 1 7 IAM CK2 C -2.004 2.336 -9.369 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK2 . . . . . . . . . rr_1xy4 1
. 8 . 1671 . 1 1 7 IAM CT C 1.070 4.453 -9.288 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CT . . . . . . . . . rr_1xy4 1
. 8 . 1672 . 1 1 7 IAM CZ C 1.611 4.831 -7.899 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CZ . . . . . . . . . rr_1xy4 1
. 8 . 1673 . 1 1 7 IAM H H 0.773 4.539 -3.037 . . . 1.0 . . . . . . . . . . . . A . 7 IAM H . . . . . . . . . rr_1xy4 1
. 8 . 1674 . 1 1 7 IAM HA H 2.916 3.834 -3.264 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HA . . . . . . . . . rr_1xy4 1
. 8 . 1675 . 1 1 7 IAM HB H 2.711 6.854 -3.715 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB . . . . . . . . . rr_1xy4 1
. 8 . 1676 . 1 1 7 IAM HB1 H 4.212 6.026 -4.077 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB1 . . . . . . . . . rr_1xy4 1
. 8 . 1677 . 1 1 7 IAM HD1 H 1.309 7.206 -5.497 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD1 . . . . . . . . . rr_1xy4 1
. 8 . 1678 . 1 1 7 IAM HD2 H 3.783 3.760 -5.525 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD2 . . . . . . . . . rr_1xy4 1
. 8 . 1679 . 1 1 7 IAM HE1 H 0.423 6.590 -7.765 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE1 . . . . . . . . . rr_1xy4 1
. 8 . 1680 . 1 1 7 IAM HE2 H 2.899 3.142 -7.792 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE2 . . . . . . . . . rr_1xy4 1
. 8 . 1681 . 1 1 7 IAM HH H 0.686 2.321 -9.572 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HH . . . . . . . . . rr_1xy4 1
. 8 . 1682 . 1 1 7 IAM HI H -1.400 4.195 -8.480 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HI . . . . . . . . . rr_1xy4 1
. 8 . 1683 . 1 1 7 IAM HK11 H -0.540 1.603 -7.181 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK11 . . . . . . . . . rr_1xy4 1
. 8 . 1684 . 1 1 7 IAM HK12 H -0.233 3.201 -6.546 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK12 . . . . . . . . . rr_1xy4 1
. 8 . 1685 . 1 1 7 IAM HK13 H -1.872 2.604 -6.652 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK13 . . . . . . . . . rr_1xy4 1
. 8 . 1686 . 1 1 7 IAM HK21 H -2.088 2.745 -10.354 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK21 . . . . . . . . . rr_1xy4 1
. 8 . 1687 . 1 1 7 IAM HK22 H -1.637 1.333 -9.429 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK22 . . . . . . . . . rr_1xy4 1
. 8 . 1688 . 1 1 7 IAM HK23 H -2.968 2.334 -8.902 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK23 . . . . . . . . . rr_1xy4 1
. 8 . 1689 . 1 1 7 IAM HT1 H 1.888 4.318 -9.966 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT1 . . . . . . . . . rr_1xy4 1
. 8 . 1690 . 1 1 7 IAM HT2 H 0.431 5.234 -9.649 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT2 . . . . . . . . . rr_1xy4 1
. 8 . 1691 . 1 1 7 IAM N N 1.445 5.067 -2.520 . . . 1.0 . . . . . . . . . . . . A . 7 IAM N . . . . . . . . . rr_1xy4 1
. 8 . 1692 . 1 1 7 IAM NH N 0.299 3.196 -9.189 . . . 1.0 . . . . . . . . . . . . A . 7 IAM NH . . . . . . . . . rr_1xy4 1
. 8 . 1693 . 1 1 7 IAM O O 4.714 5.879 -1.835 . . . 1.0 . . . . . . . . . . . . A . 7 IAM O . . . . . . . . . rr_1xy4 1
. 8 . 1694 . 1 1 8 THR C C 4.639 3.095 1.095 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . rr_1xy4 1
. 8 . 1695 . 1 1 8 THR CA C 4.323 4.483 0.537 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . rr_1xy4 1
. 8 . 1696 . 1 1 8 THR CB C 3.589 5.386 1.533 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . rr_1xy4 1
. 8 . 1697 . 1 1 8 THR CG2 C 2.334 4.726 2.107 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . rr_1xy4 1
. 8 . 1698 . 1 1 8 THR H H 2.740 3.733 -0.589 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . rr_1xy4 1
. 8 . 1699 . 1 1 8 THR HA H 5.273 4.942 0.262 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . rr_1xy4 1
. 8 . 1700 . 1 1 8 THR HB H 3.351 6.349 1.081 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . rr_1xy4 1
. 8 . 1701 . 1 1 8 THR HG1 H 4.692 4.555 2.980 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . rr_1xy4 1
. 8 . 1702 . 1 1 8 THR HG21 H 2.144 5.117 3.106 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . rr_1xy4 1
. 8 . 1703 . 1 1 8 THR HG22 H 1.482 4.944 1.464 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . rr_1xy4 1
. 8 . 1704 . 1 1 8 THR HG23 H 2.483 3.647 2.160 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . rr_1xy4 1
. 8 . 1705 . 1 1 8 THR N N 3.504 4.374 -0.658 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . rr_1xy4 1
. 8 . 1706 . 1 1 8 THR O O 4.887 2.159 0.339 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . rr_1xy4 1
. 8 . 1707 . 1 1 8 THR OG1 O 4.477 5.471 2.643 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . rr_1xy4 1
. 8 . 1708 . 1 1 9 PHE C C 4.000 0.632 2.561 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . rr_1xy4 1
. 8 . 1709 . 1 1 9 PHE CA C 4.904 1.749 3.088 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . rr_1xy4 1
. 8 . 1710 . 1 1 9 PHE CB C 4.620 1.961 4.576 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . rr_1xy4 1
. 8 . 1711 . 1 1 9 PHE CD1 C 2.137 2.219 4.773 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . rr_1xy4 1
. 8 . 1712 . 1 1 9 PHE CD2 C 3.484 4.108 5.191 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . rr_1xy4 1
. 8 . 1713 . 1 1 9 PHE CE1 C 0.974 2.992 5.035 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . rr_1xy4 1
. 8 . 1714 . 1 1 9 PHE CE2 C 2.321 4.879 5.453 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . rr_1xy4 1
. 8 . 1715 . 1 1 9 PHE CG C 3.366 2.794 4.857 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . rr_1xy4 1
. 8 . 1716 . 1 1 9 PHE CZ C 1.091 4.305 5.369 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . rr_1xy4 1
. 8 . 1717 . 1 1 9 PHE H H 4.421 3.774 3.028 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . rr_1xy4 1
. 8 . 1718 . 1 1 9 PHE HA H 5.945 1.497 2.882 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . rr_1xy4 1
. 8 . 1719 . 1 1 9 PHE HB2 H 4.513 0.988 5.057 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . rr_1xy4 1
. 8 . 1720 . 1 1 9 PHE HB3 H 5.478 2.451 5.034 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . rr_1xy4 1
. 8 . 1721 . 1 1 9 PHE HD1 H 2.044 1.167 4.506 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . rr_1xy4 1
. 8 . 1722 . 1 1 9 PHE HD2 H 4.470 4.566 5.258 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . rr_1xy4 1
. 8 . 1723 . 1 1 9 PHE HE1 H -0.014 2.532 4.968 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . rr_1xy4 1
. 8 . 1724 . 1 1 9 PHE HE2 H 2.415 5.931 5.721 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . rr_1xy4 1
. 8 . 1725 . 1 1 9 PHE HZ H 0.198 4.898 5.568 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . rr_1xy4 1
. 8 . 1726 . 1 1 9 PHE N N 4.622 3.007 2.418 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . rr_1xy4 1
. 8 . 1727 . 1 1 9 PHE O O 3.113 0.880 1.746 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . rr_1xy4 1
. 8 . 1728 . 1 1 10 LYS C C 2.864 -2.389 3.873 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_1xy4 1
. 8 . 1729 . 1 1 10 LYS CA C 3.477 -1.727 2.637 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_1xy4 1
. 8 . 1730 . 1 1 10 LYS CB C 4.330 -2.674 1.791 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_1xy4 1
. 8 . 1731 . 1 1 10 LYS CD C 5.779 -1.770 -0.063 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_1xy4 1
. 8 . 1732 . 1 1 10 LYS CE C 6.293 -2.565 -1.265 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_1xy4 1
. 8 . 1733 . 1 1 10 LYS CG C 4.371 -2.220 0.331 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_1xy4 1
. 8 . 1734 . 1 1 10 LYS H H 4.980 -0.764 3.713 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_1xy4 1
. 8 . 1735 . 1 1 10 LYS HA H 2.669 -1.367 2.002 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_1xy4 1
. 8 . 1736 . 1 1 10 LYS HB2 H 5.342 -2.715 2.191 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_1xy4 1
. 8 . 1737 . 1 1 10 LYS HB3 H 3.924 -3.685 1.850 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_1xy4 1
. 8 . 1738 . 1 1 10 LYS HD2 H 5.770 -0.706 -0.302 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_1xy4 1
. 8 . 1739 . 1 1 10 LYS HD3 H 6.457 -1.900 0.780 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_1xy4 1
. 8 . 1740 . 1 1 10 LYS HE2 H 7.156 -2.062 -1.700 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_1xy4 1
. 8 . 1741 . 1 1 10 LYS HE3 H 6.628 -3.551 -0.938 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_1xy4 1
. 8 . 1742 . 1 1 10 LYS HG2 H 4.052 -3.037 -0.316 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_1xy4 1
. 8 . 1743 . 1 1 10 LYS HG3 H 3.668 -1.401 0.182 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_1xy4 1
. 8 . 1744 . 1 1 10 LYS HZ3 H 4.836 -3.661 -2.236 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_1xy4 1
. 8 . 1745 . 1 1 10 LYS N N 4.257 -0.572 3.049 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_1xy4 1
. 8 . 1746 . 1 1 10 LYS NZ N 5.229 -2.709 -2.282 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_1xy4 1
. 8 . 1747 . 1 1 10 LYS O O 3.452 -2.361 4.954 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_1xy4 1
. 8 . 1748 . 1 1 11 SER C C 0.381 -4.950 4.256 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_1xy4 1
. 8 . 1749 . 1 1 11 SER CA C 0.990 -3.639 4.756 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_1xy4 1
. 8 . 1750 . 1 1 11 SER CB C -0.088 -2.705 5.362 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_1xy4 1
. 8 . 1751 . 1 1 11 SER H H 1.219 -2.989 2.791 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_1xy4 1
. 8 . 1752 . 1 1 11 SER HA H 1.711 -3.904 5.551 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_1xy4 1
. 8 . 1753 . 1 1 11 SER HB2 H -0.658 -2.217 4.547 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_1xy4 1
. 8 . 1754 . 1 1 11 SER HB3 H -0.840 -3.281 5.932 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_1xy4 1
. 8 . 1755 . 1 1 11 SER HG H 0.896 -2.120 6.940 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_1xy4 1
. 8 . 1756 . 1 1 11 SER N N 1.689 -2.971 3.673 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_1xy4 1
. 8 . 1757 . 1 1 11 SER O O -0.812 -5.190 4.429 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_1xy4 1
. 8 . 1758 . 1 1 11 SER OG O 0.467 -1.683 6.198 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_1xy4 1
. 8 . 1759 . 1 1 12 CYS C C 0.461 -7.963 4.301 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_1xy4 1
. 8 . 1760 . 1 1 12 CYS CA C 0.791 -7.047 3.121 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_1xy4 1
. 8 . 1761 . 1 1 12 CYS CB C 1.838 -7.666 2.192 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_1xy4 1
. 8 . 1762 . 1 1 12 CYS H H 2.200 -5.563 3.511 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_1xy4 1
. 8 . 1763 . 1 1 12 CYS HA H -0.098 -6.850 2.525 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_1xy4 1
. 8 . 1764 . 1 1 12 CYS HB2 H 2.454 -6.867 1.780 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_1xy4 1
. 8 . 1765 . 1 1 12 CYS HB3 H 2.497 -8.303 2.782 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_1xy4 1
. 8 . 1766 . 1 1 12 CYS N N 1.230 -5.765 3.648 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_1xy4 1
. 8 . 1767 . 1 1 12 CYS O O -0.067 -7.454 5.398 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_1xy4 1
. 8 . 1768 . 1 1 12 CYS SG S 1.152 -8.652 0.811 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_1xy4 1
. 9 . 1769 . 1 1 1 TYR C C -3.531 -6.656 1.135 . . . 1.0 . . . . . . . . . . . . A . 1 TYR C . . . . . . . . . rr_1xy4 1
. 9 . 1770 . 1 1 1 TYR CA C -4.756 -7.548 1.359 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CA . . . . . . . . . rr_1xy4 1
. 9 . 1771 . 1 1 1 TYR CB C -5.397 -7.860 0.006 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CB . . . . . . . . . rr_1xy4 1
. 9 . 1772 . 1 1 1 TYR CD1 C -6.724 -5.758 -0.410 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD1 . . . . . . . . . rr_1xy4 1
. 9 . 1773 . 1 1 1 TYR CD2 C -7.900 -7.834 -0.291 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD2 . . . . . . . . . rr_1xy4 1
. 9 . 1774 . 1 1 1 TYR CE1 C -7.967 -5.067 -0.643 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE1 . . . . . . . . . rr_1xy4 1
. 9 . 1775 . 1 1 1 TYR CE2 C -9.144 -7.145 -0.523 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE2 . . . . . . . . . rr_1xy4 1
. 9 . 1776 . 1 1 1 TYR CG C -6.717 -7.125 -0.240 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CG . . . . . . . . . rr_1xy4 1
. 9 . 1777 . 1 1 1 TYR CZ C -9.114 -5.795 -0.687 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CZ . . . . . . . . . rr_1xy4 1
. 9 . 1778 . 1 1 1 TYR H1 H -5.562 -6.955 3.139 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H1 . . . . . . . . . rr_1xy4 1
. 9 . 1779 . 1 1 1 TYR H2 H -5.773 -5.859 1.881 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H2 . . . . . . . . . rr_1xy4 1
. 9 . 1780 . 1 1 1 TYR H3 H -5.532 -5.923 2.403 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H3 . . . . . . . . . rr_1xy4 1
. 9 . 1781 . 1 1 1 TYR HA H -4.451 -8.435 1.917 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HA . . . . . . . . . rr_1xy4 1
. 9 . 1782 . 1 1 1 TYR HB2 H -4.696 -7.600 -0.787 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB2 . . . . . . . . . rr_1xy4 1
. 9 . 1783 . 1 1 1 TYR HB3 H -5.573 -8.933 -0.063 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB3 . . . . . . . . . rr_1xy4 1
. 9 . 1784 . 1 1 1 TYR HD1 H -5.790 -5.198 -0.370 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD1 . . . . . . . . . rr_1xy4 1
. 9 . 1785 . 1 1 1 TYR HD2 H -7.895 -8.916 -0.156 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD2 . . . . . . . . . rr_1xy4 1
. 9 . 1786 . 1 1 1 TYR HE1 H -7.987 -3.986 -0.781 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE1 . . . . . . . . . rr_1xy4 1
. 9 . 1787 . 1 1 1 TYR HE2 H -10.085 -7.691 -0.567 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE2 . . . . . . . . . rr_1xy4 1
. 9 . 1788 . 1 1 1 TYR HH H -11.058 -5.771 -0.778 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HH . . . . . . . . . rr_1xy4 1
. 9 . 1789 . 1 1 1 TYR N N -5.769 -6.856 2.134 . . . 1.0 . . . . . . . . . . . . A . 1 TYR N . . . . . . . . . rr_1xy4 1
. 9 . 1790 . 1 1 1 TYR O O -3.381 -5.627 1.793 . . . 1.0 . . . . . . . . . . . . A . 1 TYR O . . . . . . . . . rr_1xy4 1
. 9 . 1791 . 1 1 1 TYR OH O -10.289 -5.143 -0.906 . . . 1.0 . . . . . . . . . . . . A . 1 TYR OH . . . . . . . . . rr_1xy4 1
. 9 . 1792 . 1 1 2 CYS C C -1.895 -4.924 -0.541 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_1xy4 1
. 9 . 1793 . 1 1 2 CYS CA C -1.485 -6.334 -0.114 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_1xy4 1
. 9 . 1794 . 1 1 2 CYS CB C -0.651 -7.037 -1.188 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_1xy4 1
. 9 . 1795 . 1 1 2 CYS H H -2.821 -7.919 -0.326 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_1xy4 1
. 9 . 1796 . 1 1 2 CYS HA H -0.887 -6.305 0.794 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_1xy4 1
. 9 . 1797 . 1 1 2 CYS HB2 H -1.319 -7.626 -1.817 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_1xy4 1
. 9 . 1798 . 1 1 2 CYS HB3 H -0.196 -6.281 -1.827 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_1xy4 1
. 9 . 1799 . 1 1 2 CYS N N -2.690 -7.083 0.204 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_1xy4 1
. 9 . 1800 . 1 1 2 CYS O O -2.759 -4.757 -1.401 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_1xy4 1
. 9 . 1801 . 1 1 2 CYS SG S 0.665 -8.131 -0.543 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_1xy4 1
. 9 . 1802 . 1 1 3 LYS C C -0.306 -1.702 0.076 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . rr_1xy4 1
. 9 . 1803 . 1 1 3 LYS CA C -1.542 -2.552 -0.226 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . rr_1xy4 1
. 9 . 1804 . 1 1 3 LYS CB C -2.801 -2.090 0.510 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . rr_1xy4 1
. 9 . 1805 . 1 1 3 LYS CD C -3.865 -1.734 2.769 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . rr_1xy4 1
. 9 . 1806 . 1 1 3 LYS CE C -4.441 -2.721 3.787 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . rr_1xy4 1
. 9 . 1807 . 1 1 3 LYS CG C -2.686 -2.351 2.013 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . rr_1xy4 1
. 9 . 1808 . 1 1 3 LYS H H -0.553 -4.087 0.777 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . rr_1xy4 1
. 9 . 1809 . 1 1 3 LYS HA H -1.752 -2.489 -1.293 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . rr_1xy4 1
. 9 . 1810 . 1 1 3 LYS HB2 H -2.960 -1.025 0.334 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . rr_1xy4 1
. 9 . 1811 . 1 1 3 LYS HB3 H -3.671 -2.610 0.113 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . rr_1xy4 1
. 9 . 1812 . 1 1 3 LYS HD2 H -3.538 -0.829 3.281 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . rr_1xy4 1
. 9 . 1813 . 1 1 3 LYS HD3 H -4.639 -1.439 2.064 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . rr_1xy4 1
. 9 . 1814 . 1 1 3 LYS HE2 H -5.207 -3.333 3.314 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . rr_1xy4 1
. 9 . 1815 . 1 1 3 LYS HE3 H -3.656 -3.399 4.128 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . rr_1xy4 1
. 9 . 1816 . 1 1 3 LYS HG2 H -2.652 -3.425 2.198 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . rr_1xy4 1
. 9 . 1817 . 1 1 3 LYS HG3 H -1.750 -1.933 2.388 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . rr_1xy4 1
. 9 . 1818 . 1 1 3 LYS HZ1 H -5.071 -2.585 5.768 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . rr_1xy4 1
. 9 . 1819 . 1 1 3 LYS HZ2 H -4.461 -1.188 5.197 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . rr_1xy4 1
. 9 . 1820 . 1 1 3 LYS N N -1.255 -3.943 0.080 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . rr_1xy4 1
. 9 . 1821 . 1 1 3 LYS NZ N -5.014 -1.998 4.941 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . rr_1xy4 1
. 9 . 1822 . 1 1 3 LYS O O 0.264 -1.794 1.164 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . rr_1xy4 1
. 9 . 1823 . 1 1 4 . C C 0.788 1.408 -0.476 . . . 1.0 . . . . . . . . . . . . A . 4 ILG C . . . . . . . . . rr_1xy4 1
. 9 . 1824 . 1 1 4 . CA C 1.232 -0.030 -0.756 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CA . . . . . . . . . rr_1xy4 1
. 9 . 1825 . 1 1 4 . CB C 2.143 -0.105 -2.012 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CB . . . . . . . . . rr_1xy4 1
. 9 . 1826 . 1 1 4 . CD C 3.759 -1.702 -3.388 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CD . . . . . . . . . rr_1xy4 1
. 9 . 1827 . 1 1 4 . CG C 2.477 -1.527 -2.572 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CG . . . . . . . . . rr_1xy4 1
. 9 . 1828 . 1 1 4 . H H -0.395 -0.827 -1.783 . . . 1.0 . . . . . . . . . . . . A . 4 ILG H . . . . . . . . . rr_1xy4 1
. 9 . 1829 . 1 1 4 . HA H 1.789 -0.389 0.130 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HA . . . . . . . . . rr_1xy4 1
. 9 . 1830 . 1 1 4 . HB2 H 1.679 0.489 -2.823 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB2 . . . . . . . . . rr_1xy4 1
. 9 . 1831 . 1 1 4 . HB3 H 3.090 0.429 -1.796 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB3 . . . . . . . . . rr_1xy4 1
. 9 . 1832 . 1 1 4 . HG2 H 2.529 -2.253 -1.738 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG2 . . . . . . . . . rr_1xy4 1
. 9 . 1833 . 1 1 4 . HG3 H 1.645 -1.895 -3.201 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG3 . . . . . . . . . rr_1xy4 1
. 9 . 1834 . 1 1 4 . N N 0.072 -0.894 -0.903 . . . 1.0 . . . . . . . . . . . . A . 4 ILG N . . . . . . . . . rr_1xy4 1
. 9 . 1835 . 1 1 4 . O O 1.573 2.343 -0.623 . . . 1.0 . . . . . . . . . . . . A . 4 ILG O . . . . . . . . . rr_1xy4 1
. 9 . 1836 . 1 1 4 . OE1 O 4.120 -2.783 -3.838 . . . 1.0 . . . . . . . . . . . . A . 4 ILG OE1 . . . . . . . . . rr_1xy4 1
. 9 . 1837 . 1 1 5 PHE C C -0.630 3.870 -0.842 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . rr_1xy4 1
. 9 . 1838 . 1 1 5 PHE CA C -1.026 2.846 0.224 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . rr_1xy4 1
. 9 . 1839 . 1 1 5 PHE CB C -0.448 3.279 1.572 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . rr_1xy4 1
. 9 . 1840 . 1 1 5 PHE CD1 C -0.019 1.058 2.649 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . rr_1xy4 1
. 9 . 1841 . 1 1 5 PHE CD2 C -1.476 2.557 3.737 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . rr_1xy4 1
. 9 . 1842 . 1 1 5 PHE CE1 C -0.213 0.113 3.690 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . rr_1xy4 1
. 9 . 1843 . 1 1 5 PHE CE2 C -1.669 1.612 4.780 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . rr_1xy4 1
. 9 . 1844 . 1 1 5 PHE CG C -0.655 2.260 2.695 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . rr_1xy4 1
. 9 . 1845 . 1 1 5 PHE CZ C -1.034 0.410 4.734 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . rr_1xy4 1
. 9 . 1846 . 1 1 5 PHE H H -1.102 0.771 0.040 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . rr_1xy4 1
. 9 . 1847 . 1 1 5 PHE HA H -2.110 2.740 0.236 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . rr_1xy4 1
. 9 . 1848 . 1 1 5 PHE HB2 H 0.622 3.463 1.455 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . rr_1xy4 1
. 9 . 1849 . 1 1 5 PHE HB3 H -0.904 4.225 1.865 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . rr_1xy4 1
. 9 . 1850 . 1 1 5 PHE HD1 H 0.638 0.821 1.812 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . rr_1xy4 1
. 9 . 1851 . 1 1 5 PHE HD2 H -1.985 3.520 3.774 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . rr_1xy4 1
. 9 . 1852 . 1 1 5 PHE HE1 H 0.294 -0.851 3.653 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . rr_1xy4 1
. 9 . 1853 . 1 1 5 PHE HE2 H -2.326 1.849 5.616 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . rr_1xy4 1
. 9 . 1854 . 1 1 5 PHE HZ H -1.182 -0.316 5.533 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . rr_1xy4 1
. 9 . 1855 . 1 1 5 PHE N N -0.469 1.538 -0.077 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . rr_1xy4 1
. 9 . 1856 . 1 1 5 PHE O O -0.382 3.510 -1.992 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . rr_1xy4 1
. 9 . 1857 . 1 1 6 DTR C C 1.254 6.023 -1.710 . . . 1.0 . . . . . . . . . . . . A . 6 DTR C . . . . . . . . . rr_1xy4 1
. 9 . 1858 . 1 1 6 DTR CA C -0.216 6.204 -1.325 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CA . . . . . . . . . rr_1xy4 1
. 9 . 1859 . 1 1 6 DTR CB C -1.166 6.103 -2.521 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CB . . . . . . . . . rr_1xy4 1
. 9 . 1860 . 1 1 6 DTR CD1 C -3.439 5.798 -1.338 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD1 . . . . . . . . . rr_1xy4 1
. 9 . 1861 . 1 1 6 DTR CD2 C -2.989 4.187 -2.789 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD2 . . . . . . . . . rr_1xy4 1
. 9 . 1862 . 1 1 6 DTR CE2 C -4.218 3.908 -2.232 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE2 . . . . . . . . . rr_1xy4 1
. 9 . 1863 . 1 1 6 DTR CE3 C -2.413 3.346 -3.758 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE3 . . . . . . . . . rr_1xy4 1
. 9 . 1864 . 1 1 6 DTR CG C -2.493 5.411 -2.204 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CG . . . . . . . . . rr_1xy4 1
. 9 . 1865 . 1 1 6 DTR CH2 C -4.427 1.931 -3.541 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CH2 . . . . . . . . . rr_1xy4 1
. 9 . 1866 . 1 1 6 DTR CZ2 C -4.978 2.783 -2.579 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ2 . . . . . . . . . rr_1xy4 1
. 9 . 1867 . 1 1 6 DTR CZ3 C -3.187 2.229 -4.094 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ3 . . . . . . . . . rr_1xy4 1
. 9 . 1868 . 1 1 6 DTR H H -0.782 5.410 0.515 . . . 1.0 . . . . . . . . . . . . A . 6 DTR H . . . . . . . . . rr_1xy4 1
. 9 . 1869 . 1 1 6 DTR HA H -0.350 7.130 -0.767 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HA . . . . . . . . . rr_1xy4 1
. 9 . 1870 . 1 1 6 DTR HB2 H -1.370 7.106 -2.895 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB2 . . . . . . . . . rr_1xy4 1
. 9 . 1871 . 1 1 6 DTR HB3 H -0.668 5.557 -3.322 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB3 . . . . . . . . . rr_1xy4 1
. 9 . 1872 . 1 1 6 DTR HD1 H -3.378 6.696 -0.722 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HD1 . . . . . . . . . rr_1xy4 1
. 9 . 1873 . 1 1 6 DTR HE1 H -5.397 4.999 -0.706 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE1 . . . . . . . . . rr_1xy4 1
. 9 . 1874 . 1 1 6 DTR HE3 H -1.442 3.549 -4.212 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE3 . . . . . . . . . rr_1xy4 1
. 9 . 1875 . 1 1 6 DTR HH2 H -4.967 1.039 -3.856 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HH2 . . . . . . . . . rr_1xy4 1
. 9 . 1876 . 1 1 6 DTR HZ2 H -5.948 2.584 -2.123 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ2 . . . . . . . . . rr_1xy4 1
. 9 . 1877 . 1 1 6 DTR HZ3 H -2.786 1.542 -4.840 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ3 . . . . . . . . . rr_1xy4 1
. 9 . 1878 . 1 1 6 DTR N N -0.578 5.125 -0.421 . . . 1.0 . . . . . . . . . . . . A . 6 DTR N . . . . . . . . . rr_1xy4 1
. 9 . 1879 . 1 1 6 DTR NE1 N -4.503 4.918 -1.320 . . . 1.0 . . . . . . . . . . . . A . 6 DTR NE1 . . . . . . . . . rr_1xy4 1
. 9 . 1880 . 1 1 6 DTR O O 2.106 6.811 -1.306 . . . 1.0 . . . . . . . . . . . . A . 6 DTR O . . . . . . . . . rr_1xy4 1
. 9 . 1881 . 1 1 7 IAM C C 3.861 4.881 -1.795 . . . 1.0 . . . . . . . . . . . . A . 7 IAM C . . . . . . . . . rr_1xy4 1
. 9 . 1882 . 1 1 7 IAM CA C 2.856 4.684 -2.931 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CA . . . . . . . . . rr_1xy4 1
. 9 . 1883 . 1 1 7 IAM CB C 3.179 5.667 -4.059 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CB . . . . . . . . . rr_1xy4 1
. 9 . 1884 . 1 1 7 IAM CD1 C 1.437 4.748 -5.605 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD1 . . . . . . . . . rr_1xy4 1
. 9 . 1885 . 1 1 7 IAM CD2 C 3.555 5.261 -6.501 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD2 . . . . . . . . . rr_1xy4 1
. 9 . 1886 . 1 1 7 IAM CE1 C 0.997 4.323 -6.886 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE1 . . . . . . . . . rr_1xy4 1
. 9 . 1887 . 1 1 7 IAM CE2 C 3.115 4.835 -7.783 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE2 . . . . . . . . . rr_1xy4 1
. 9 . 1888 . 1 1 7 IAM CG C 2.707 5.209 -5.439 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CG . . . . . . . . . rr_1xy4 1
. 9 . 1889 . 1 1 7 IAM CI C 0.148 6.167 -9.381 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CI . . . . . . . . . rr_1xy4 1
. 9 . 1890 . 1 1 7 IAM CK1 C -1.014 6.387 -8.395 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK1 . . . . . . . . . rr_1xy4 1
. 9 . 1891 . 1 1 7 IAM CK2 C -0.079 7.018 -10.642 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK2 . . . . . . . . . rr_1xy4 1
. 9 . 1892 . 1 1 7 IAM CT C 1.370 3.914 -9.337 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CT . . . . . . . . . rr_1xy4 1
. 9 . 1893 . 1 1 7 IAM CZ C 1.846 4.374 -7.948 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CZ . . . . . . . . . rr_1xy4 1
. 9 . 1894 . 1 1 7 IAM H H 0.805 4.343 -2.812 . . . 1.0 . . . . . . . . . . . . A . 7 IAM H . . . . . . . . . rr_1xy4 1
. 9 . 1895 . 1 1 7 IAM HA H 2.871 3.642 -3.252 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HA . . . . . . . . . rr_1xy4 1
. 9 . 1896 . 1 1 7 IAM HB H 2.721 6.629 -3.831 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB . . . . . . . . . rr_1xy4 1
. 9 . 1897 . 1 1 7 IAM HB1 H 4.256 5.827 -4.089 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB1 . . . . . . . . . rr_1xy4 1
. 9 . 1898 . 1 1 7 IAM HD1 H 0.758 4.707 -4.754 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD1 . . . . . . . . . rr_1xy4 1
. 9 . 1899 . 1 1 7 IAM HD2 H 4.572 5.629 -6.367 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD2 . . . . . . . . . rr_1xy4 1
. 9 . 1900 . 1 1 7 IAM HE1 H -0.020 3.956 -7.021 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE1 . . . . . . . . . rr_1xy4 1
. 9 . 1901 . 1 1 7 IAM HE2 H 3.795 4.878 -8.634 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE2 . . . . . . . . . rr_1xy4 1
. 9 . 1902 . 1 1 7 IAM HH H -0.545 4.315 -10.310 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HH . . . . . . . . . rr_1xy4 1
. 9 . 1903 . 1 1 7 IAM HI H 1.068 6.455 -8.916 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HI . . . . . . . . . rr_1xy4 1
. 9 . 1904 . 1 1 7 IAM HK11 H -1.935 6.098 -8.860 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK11 . . . . . . . . . rr_1xy4 1
. 9 . 1905 . 1 1 7 IAM HK12 H -0.856 5.793 -7.519 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK12 . . . . . . . . . rr_1xy4 1
. 9 . 1906 . 1 1 7 IAM HK13 H -1.062 7.421 -8.123 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK13 . . . . . . . . . rr_1xy4 1
. 9 . 1907 . 1 1 7 IAM HK21 H 0.730 6.866 -11.327 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK21 . . . . . . . . . rr_1xy4 1
. 9 . 1908 . 1 1 7 IAM HK22 H -0.998 6.730 -11.108 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK22 . . . . . . . . . rr_1xy4 1
. 9 . 1909 . 1 1 7 IAM HK23 H -0.124 8.053 -10.373 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK23 . . . . . . . . . rr_1xy4 1
. 9 . 1910 . 1 1 7 IAM HT1 H 1.080 2.886 -9.292 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT1 . . . . . . . . . rr_1xy4 1
. 9 . 1911 . 1 1 7 IAM HT2 H 2.165 4.032 -10.046 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT2 . . . . . . . . . rr_1xy4 1
. 9 . 1912 . 1 1 7 IAM N N 1.504 4.980 -2.487 . . . 1.0 . . . . . . . . . . . . A . 7 IAM N . . . . . . . . . rr_1xy4 1
. 9 . 1913 . 1 1 7 IAM NH N 0.214 4.737 -9.756 . . . 1.0 . . . . . . . . . . . . A . 7 IAM NH . . . . . . . . . rr_1xy4 1
. 9 . 1914 . 1 1 7 IAM O O 4.882 5.543 -1.972 . . . 1.0 . . . . . . . . . . . . A . 7 IAM O . . . . . . . . . rr_1xy4 1
. 9 . 1915 . 1 1 8 THR C C 4.653 3.009 1.110 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . rr_1xy4 1
. 9 . 1916 . 1 1 8 THR CA C 4.400 4.394 0.513 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . rr_1xy4 1
. 9 . 1917 . 1 1 8 THR CB C 3.752 5.371 1.495 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . rr_1xy4 1
. 9 . 1918 . 1 1 8 THR CG2 C 2.479 4.807 2.129 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . rr_1xy4 1
. 9 . 1919 . 1 1 8 THR H H 2.705 3.755 -0.518 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . rr_1xy4 1
. 9 . 1920 . 1 1 8 THR HA H 5.367 4.786 0.191 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . rr_1xy4 1
. 9 . 1921 . 1 1 8 THR HB H 3.557 6.332 1.018 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . rr_1xy4 1
. 9 . 1922 . 1 1 8 THR HG1 H 4.849 4.524 2.938 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . rr_1xy4 1
. 9 . 1923 . 1 1 8 THR HG21 H 2.343 5.242 3.119 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . rr_1xy4 1
. 9 . 1924 . 1 1 8 THR HG22 H 1.622 5.054 1.504 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . rr_1xy4 1
. 9 . 1925 . 1 1 8 THR HG23 H 2.566 3.724 2.217 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . rr_1xy4 1
. 9 . 1926 . 1 1 8 THR N N 3.539 4.292 -0.653 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . rr_1xy4 1
. 9 . 1927 . 1 1 8 THR O O 4.837 2.036 0.378 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . rr_1xy4 1
. 9 . 1928 . 1 1 8 THR OG1 O 4.678 5.440 2.577 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . rr_1xy4 1
. 9 . 1929 . 1 1 9 PHE C C 3.867 0.650 2.714 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . rr_1xy4 1
. 9 . 1930 . 1 1 9 PHE CA C 4.883 1.711 3.138 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . rr_1xy4 1
. 9 . 1931 . 1 1 9 PHE CB C 4.708 2.001 4.630 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . rr_1xy4 1
. 9 . 1932 . 1 1 9 PHE CD1 C 2.281 2.502 4.987 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . rr_1xy4 1
. 9 . 1933 . 1 1 9 PHE CD2 C 3.821 4.274 5.191 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . rr_1xy4 1
. 9 . 1934 . 1 1 9 PHE CE1 C 1.215 3.394 5.282 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . rr_1xy4 1
. 9 . 1935 . 1 1 9 PHE CE2 C 2.756 5.166 5.486 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . rr_1xy4 1
. 9 . 1936 . 1 1 9 PHE CG C 3.561 2.962 4.947 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . rr_1xy4 1
. 9 . 1937 . 1 1 9 PHE CZ C 1.476 4.707 5.526 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . rr_1xy4 1
. 9 . 1938 . 1 1 9 PHE H H 4.505 3.757 3.022 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . rr_1xy4 1
. 9 . 1939 . 1 1 9 PHE HA H 5.887 1.373 2.881 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . rr_1xy4 1
. 9 . 1940 . 1 1 9 PHE HB2 H 4.537 1.059 5.155 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . rr_1xy4 1
. 9 . 1941 . 1 1 9 PHE HB3 H 5.636 2.419 5.021 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . rr_1xy4 1
. 9 . 1942 . 1 1 9 PHE HD1 H 2.072 1.450 4.793 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . rr_1xy4 1
. 9 . 1943 . 1 1 9 PHE HD2 H 4.847 4.641 5.158 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . rr_1xy4 1
. 9 . 1944 . 1 1 9 PHE HE1 H 0.190 3.027 5.313 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . rr_1xy4 1
. 9 . 1945 . 1 1 9 PHE HE2 H 2.964 6.218 5.681 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . rr_1xy4 1
. 9 . 1946 . 1 1 9 PHE HZ H 0.659 5.392 5.753 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . rr_1xy4 1
. 9 . 1947 . 1 1 9 PHE N N 4.656 2.961 2.433 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . rr_1xy4 1
. 9 . 1948 . 1 1 9 PHE O O 2.753 0.979 2.307 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . rr_1xy4 1
. 9 . 1949 . 1 1 10 LYS C C 2.846 -2.344 3.723 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_1xy4 1
. 9 . 1950 . 1 1 10 LYS CA C 3.427 -1.715 2.455 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_1xy4 1
. 9 . 1951 . 1 1 10 LYS CB C 4.183 -2.704 1.567 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_1xy4 1
. 9 . 1952 . 1 1 10 LYS CD C 5.620 -1.740 -0.266 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_1xy4 1
. 9 . 1953 . 1 1 10 LYS CE C 6.009 -2.236 -1.661 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_1xy4 1
. 9 . 1954 . 1 1 10 LYS CG C 4.219 -2.224 0.115 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_1xy4 1
. 9 . 1955 . 1 1 10 LYS H H 5.193 -0.861 3.155 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_1xy4 1
. 9 . 1956 . 1 1 10 LYS HA H 2.608 -1.310 1.862 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_1xy4 1
. 9 . 1957 . 1 1 10 LYS HB2 H 5.200 -2.829 1.939 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_1xy4 1
. 9 . 1958 . 1 1 10 LYS HB3 H 3.703 -3.683 1.619 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_1xy4 1
. 9 . 1959 . 1 1 10 LYS HD2 H 5.651 -0.649 -0.242 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_1xy4 1
. 9 . 1960 . 1 1 10 LYS HD3 H 6.344 -2.096 0.465 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_1xy4 1
. 9 . 1961 . 1 1 10 LYS HE2 H 7.095 -2.277 -1.748 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_1xy4 1
. 9 . 1962 . 1 1 10 LYS HE3 H 5.637 -3.250 -1.809 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_1xy4 1
. 9 . 1963 . 1 1 10 LYS HG2 H 3.916 -3.033 -0.547 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_1xy4 1
. 9 . 1964 . 1 1 10 LYS HG3 H 3.501 -1.415 -0.021 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_1xy4 1
. 9 . 1965 . 1 1 10 LYS HZ3 H 4.630 -1.784 -3.131 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_1xy4 1
. 9 . 1966 . 1 1 10 LYS N N 4.286 -0.602 2.823 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_1xy4 1
. 9 . 1967 . 1 1 10 LYS NZ N 5.455 -1.341 -2.702 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_1xy4 1
. 9 . 1968 . 1 1 10 LYS O O 3.500 -2.372 4.764 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_1xy4 1
. 9 . 1969 . 1 1 11 SER C C 0.305 -4.779 4.272 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_1xy4 1
. 9 . 1970 . 1 1 11 SER CA C 0.944 -3.462 4.717 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_1xy4 1
. 9 . 1971 . 1 1 11 SER CB C -0.104 -2.496 5.324 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_1xy4 1
. 9 . 1972 . 1 1 11 SER H H 1.094 -2.808 2.744 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_1xy4 1
. 9 . 1973 . 1 1 11 SER HA H 1.683 -3.712 5.500 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_1xy4 1
. 9 . 1974 . 1 1 11 SER HB2 H 0.391 -1.554 5.634 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_1xy4 1
. 9 . 1975 . 1 1 11 SER HB3 H -0.851 -2.188 4.565 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_1xy4 1
. 9 . 1976 . 1 1 11 SER HG H -1.263 -3.821 6.160 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_1xy4 1
. 9 . 1977 . 1 1 11 SER N N 1.620 -2.834 3.594 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_1xy4 1
. 9 . 1978 . 1 1 11 SER O O -0.893 -4.985 4.458 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_1xy4 1
. 9 . 1979 . 1 1 11 SER OG O -0.777 -3.047 6.460 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_1xy4 1
. 9 . 1980 . 1 1 12 CYS C C 0.340 -7.795 4.436 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_1xy4 1
. 9 . 1981 . 1 1 12 CYS CA C 0.663 -6.926 3.218 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_1xy4 1
. 9 . 1982 . 1 1 12 CYS CB C 1.685 -7.595 2.295 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_1xy4 1
. 9 . 1983 . 1 1 12 CYS H H 2.106 -5.458 3.543 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_1xy4 1
. 9 . 1984 . 1 1 12 CYS HA H -0.233 -6.737 2.629 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_1xy4 1
. 9 . 1985 . 1 1 12 CYS HB2 H 2.670 -7.518 2.752 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_1xy4 1
. 9 . 1986 . 1 1 12 CYS HB3 H 1.448 -8.657 2.223 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_1xy4 1
. 9 . 1987 . 1 1 12 CYS N N 1.133 -5.635 3.691 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_1xy4 1
. 9 . 1988 . 1 1 12 CYS O O -0.449 -7.326 5.384 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_1xy4 1
. 9 . 1989 . 1 1 12 CYS SG S 1.764 -6.895 0.606 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_1xy4 1
. 10 . 1990 . 1 1 1 TYR C C -2.588 -7.457 -0.289 . . . 1.0 . . . . . . . . . . . . A . 1 TYR C . . . . . . . . . rr_1xy4 1
. 10 . 1991 . 1 1 1 TYR CA C -3.888 -8.239 -0.482 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CA . . . . . . . . . rr_1xy4 1
. 10 . 1992 . 1 1 1 TYR CB C -5.074 -7.301 -0.242 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CB . . . . . . . . . rr_1xy4 1
. 10 . 1993 . 1 1 1 TYR CD1 C -6.688 -8.585 1.207 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD1 . . . . . . . . . rr_1xy4 1
. 10 . 1994 . 1 1 1 TYR CD2 C -5.559 -6.707 2.158 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD2 . . . . . . . . . rr_1xy4 1
. 10 . 1995 . 1 1 1 TYR CE1 C -7.369 -8.810 2.455 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE1 . . . . . . . . . rr_1xy4 1
. 10 . 1996 . 1 1 1 TYR CE2 C -6.240 -6.930 3.408 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE2 . . . . . . . . . rr_1xy4 1
. 10 . 1997 . 1 1 1 TYR CG C -5.798 -7.539 1.085 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CG . . . . . . . . . rr_1xy4 1
. 10 . 1998 . 1 1 1 TYR CZ C -7.111 -7.972 3.495 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CZ . . . . . . . . . rr_1xy4 1
. 10 . 1999 . 1 1 1 TYR H1 H -4.272 -8.895 1.413 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H1 . . . . . . . . . rr_1xy4 1
. 10 . 2000 . 1 1 1 TYR H2 H -4.736 -9.966 0.203 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H2 . . . . . . . . . rr_1xy4 1
. 10 . 2001 . 1 1 1 TYR H3 H -3.249 -9.366 1.148 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H3 . . . . . . . . . rr_1xy4 1
. 10 . 2002 . 1 1 1 TYR HA H -3.885 -8.697 -1.471 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HA . . . . . . . . . rr_1xy4 1
. 10 . 2003 . 1 1 1 TYR HB2 H -4.721 -6.270 -0.272 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB2 . . . . . . . . . rr_1xy4 1
. 10 . 2004 . 1 1 1 TYR HB3 H -5.787 -7.417 -1.059 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB3 . . . . . . . . . rr_1xy4 1
. 10 . 2005 . 1 1 1 TYR HD1 H -6.874 -9.244 0.358 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD1 . . . . . . . . . rr_1xy4 1
. 10 . 2006 . 1 1 1 TYR HD2 H -4.856 -5.880 2.062 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD2 . . . . . . . . . rr_1xy4 1
. 10 . 2007 . 1 1 1 TYR HE1 H -8.076 -9.633 2.565 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE1 . . . . . . . . . rr_1xy4 1
. 10 . 2008 . 1 1 1 TYR HE2 H -6.063 -6.280 4.264 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE2 . . . . . . . . . rr_1xy4 1
. 10 . 2009 . 1 1 1 TYR HH H -8.252 -9.051 4.643 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HH . . . . . . . . . rr_1xy4 1
. 10 . 2010 . 1 1 1 TYR N N -4.010 -9.300 0.503 . . . 1.0 . . . . . . . . . . . . A . 1 TYR N . . . . . . . . . rr_1xy4 1
. 10 . 2011 . 1 1 1 TYR O O -1.692 -7.904 0.426 . . . 1.0 . . . . . . . . . . . . A . 1 TYR O . . . . . . . . . rr_1xy4 1
. 10 . 2012 . 1 1 1 TYR OH O -7.755 -8.183 4.675 . . . 1.0 . . . . . . . . . . . . A . 1 TYR OH . . . . . . . . . rr_1xy4 1
. 10 . 2013 . 1 1 2 CYS C C -1.803 -3.994 -0.914 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_1xy4 1
. 10 . 2014 . 1 1 2 CYS CA C -1.350 -5.453 -0.842 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_1xy4 1
. 10 . 2015 . 1 1 2 CYS CB C -0.325 -5.789 -1.928 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_1xy4 1
. 10 . 2016 . 1 1 2 CYS H H -3.259 -5.946 -1.514 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_1xy4 1
. 10 . 2017 . 1 1 2 CYS HA H -0.886 -5.667 0.120 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_1xy4 1
. 10 . 2018 . 1 1 2 CYS HB2 H -0.828 -6.331 -2.728 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_1xy4 1
. 10 . 2019 . 1 1 2 CYS HB3 H 0.045 -4.857 -2.358 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_1xy4 1
. 10 . 2020 . 1 1 2 CYS N N -2.526 -6.303 -0.936 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_1xy4 1
. 10 . 2021 . 1 1 2 CYS O O -2.431 -3.583 -1.889 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_1xy4 1
. 10 . 2022 . 1 1 2 CYS SG S 1.105 -6.778 -1.356 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_1xy4 1
. 10 . 2023 . 1 1 3 LYS C C -0.571 -1.006 0.393 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . rr_1xy4 1
. 10 . 2024 . 1 1 3 LYS CA C -1.833 -1.848 0.200 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . rr_1xy4 1
. 10 . 2025 . 1 1 3 LYS CB C -2.895 -1.622 1.278 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . rr_1xy4 1
. 10 . 2026 . 1 1 3 LYS CD C -5.389 -1.989 1.321 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . rr_1xy4 1
. 10 . 2027 . 1 1 3 LYS CE C -5.735 -1.783 2.798 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . rr_1xy4 1
. 10 . 2028 . 1 1 3 LYS CG C -4.020 -2.652 1.166 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . rr_1xy4 1
. 10 . 2029 . 1 1 3 LYS H H -0.959 -3.595 0.920 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . rr_1xy4 1
. 10 . 2030 . 1 1 3 LYS HA H -2.285 -1.581 -0.756 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . rr_1xy4 1
. 10 . 2031 . 1 1 3 LYS HB2 H -2.435 -1.685 2.264 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . rr_1xy4 1
. 10 . 2032 . 1 1 3 LYS HB3 H -3.307 -0.617 1.184 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . rr_1xy4 1
. 10 . 2033 . 1 1 3 LYS HD2 H -5.392 -1.027 0.807 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . rr_1xy4 1
. 10 . 2034 . 1 1 3 LYS HD3 H -6.152 -2.604 0.847 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . rr_1xy4 1
. 10 . 2035 . 1 1 3 LYS HE2 H -6.216 -2.678 3.192 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . rr_1xy4 1
. 10 . 2036 . 1 1 3 LYS HE3 H -4.822 -1.630 3.373 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . rr_1xy4 1
. 10 . 2037 . 1 1 3 LYS HG2 H -3.962 -3.156 0.202 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . rr_1xy4 1
. 10 . 2038 . 1 1 3 LYS HG3 H -3.894 -3.417 1.933 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . rr_1xy4 1
. 10 . 2039 . 1 1 3 LYS HZ1 H -6.593 -0.238 3.903 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . rr_1xy4 1
. 10 . 2040 . 1 1 3 LYS HZ2 H -6.393 0.139 2.331 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . rr_1xy4 1
. 10 . 2041 . 1 1 3 LYS N N -1.469 -3.253 0.131 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . rr_1xy4 1
. 10 . 2042 . 1 1 3 LYS NZ N -6.631 -0.619 2.962 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . rr_1xy4 1
. 10 . 2043 . 1 1 3 LYS O O -0.087 -0.854 1.513 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . rr_1xy4 1
. 10 . 2044 . 1 1 4 . C C 0.750 1.820 -0.530 . . . 1.0 . . . . . . . . . . . . A . 4 ILG C . . . . . . . . . rr_1xy4 1
. 10 . 2045 . 1 1 4 . CA C 1.125 0.343 -0.685 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CA . . . . . . . . . rr_1xy4 1
. 10 . 2046 . 1 1 4 . CB C 1.989 0.110 -1.955 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CB . . . . . . . . . rr_1xy4 1
. 10 . 2047 . 1 1 4 . CD C 3.547 -1.732 -3.069 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CD . . . . . . . . . rr_1xy4 1
. 10 . 2048 . 1 1 4 . CG C 2.216 -1.371 -2.406 . . . 1.0 . . . . . . . . . . . . A . 4 ILG CG . . . . . . . . . rr_1xy4 1
. 10 . 2049 . 1 1 4 . H H -0.474 -0.608 -1.626 . . . 1.0 . . . . . . . . . . . . A . 4 ILG H . . . . . . . . . rr_1xy4 1
. 10 . 2050 . 1 1 4 . HA H 1.696 0.044 0.214 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HA . . . . . . . . . rr_1xy4 1
. 10 . 2051 . 1 1 4 . HB2 H 1.538 0.667 -2.799 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB2 . . . . . . . . . rr_1xy4 1
. 10 . 2052 . 1 1 4 . HB3 H 2.974 0.595 -1.807 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HB3 . . . . . . . . . rr_1xy4 1
. 10 . 2053 . 1 1 4 . HG2 H 2.099 -2.046 -1.538 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG2 . . . . . . . . . rr_1xy4 1
. 10 . 2054 . 1 1 4 . HG3 H 1.416 -1.683 -3.104 . . . 1.0 . . . . . . . . . . . . A . 4 ILG HG3 . . . . . . . . . rr_1xy4 1
. 10 . 2055 . 1 1 4 . N N -0.074 -0.480 -0.717 . . . 1.0 . . . . . . . . . . . . A . 4 ILG N . . . . . . . . . rr_1xy4 1
. 10 . 2056 . 1 1 4 . O O 1.577 2.699 -0.759 . . . 1.0 . . . . . . . . . . . . A . 4 ILG O . . . . . . . . . rr_1xy4 1
. 10 . 2057 . 1 1 4 . OE1 O 3.826 -2.869 -3.426 . . . 1.0 . . . . . . . . . . . . A . 4 ILG OE1 . . . . . . . . . rr_1xy4 1
. 10 . 2058 . 1 1 5 PHE C C -0.414 4.342 -1.012 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . rr_1xy4 1
. 10 . 2059 . 1 1 5 PHE CA C -0.993 3.396 0.044 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . rr_1xy4 1
. 10 . 2060 . 1 1 5 PHE CB C -0.529 3.853 1.428 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . rr_1xy4 1
. 10 . 2061 . 1 1 5 PHE CD1 C -0.118 1.671 2.588 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . rr_1xy4 1
. 10 . 2062 . 1 1 5 PHE CD2 C -1.747 3.116 3.489 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . rr_1xy4 1
. 10 . 2063 . 1 1 5 PHE CE1 C -0.378 0.733 3.621 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . rr_1xy4 1
. 10 . 2064 . 1 1 5 PHE CE2 C -2.007 2.179 4.523 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . rr_1xy4 1
. 10 . 2065 . 1 1 5 PHE CG C -0.808 2.842 2.543 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . rr_1xy4 1
. 10 . 2066 . 1 1 5 PHE CZ C -1.316 1.007 4.568 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . rr_1xy4 1
. 10 . 2067 . 1 1 5 PHE H H -1.165 1.321 0.040 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . rr_1xy4 1
. 10 . 2068 . 1 1 5 PHE HA H -2.077 3.362 -0.056 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . rr_1xy4 1
. 10 . 2069 . 1 1 5 PHE HB2 H 0.542 4.054 1.393 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . rr_1xy4 1
. 10 . 2070 . 1 1 5 PHE HB3 H -1.022 4.794 1.673 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . rr_1xy4 1
. 10 . 2071 . 1 1 5 PHE HD1 H 0.634 1.452 1.830 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . rr_1xy4 1
. 10 . 2072 . 1 1 5 PHE HD2 H -2.300 4.055 3.452 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . rr_1xy4 1
. 10 . 2073 . 1 1 5 PHE HE1 H 0.174 -0.206 3.658 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . rr_1xy4 1
. 10 . 2074 . 1 1 5 PHE HE2 H -2.758 2.397 5.281 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . rr_1xy4 1
. 10 . 2075 . 1 1 5 PHE HZ H -1.515 0.288 5.362 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . rr_1xy4 1
. 10 . 2076 . 1 1 5 PHE N N -0.498 2.042 -0.144 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . rr_1xy4 1
. 10 . 2077 . 1 1 5 PHE O O 0.007 3.902 -2.080 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . rr_1xy4 1
. 10 . 2078 . 1 1 6 DTR C C 1.575 6.312 -1.856 . . . 1.0 . . . . . . . . . . . . A . 6 DTR C . . . . . . . . . rr_1xy4 1
. 10 . 2079 . 1 1 6 DTR CA C 0.105 6.633 -1.581 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CA . . . . . . . . . rr_1xy4 1
. 10 . 2080 . 1 1 6 DTR CB C -0.767 6.576 -2.837 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CB . . . . . . . . . rr_1xy4 1
. 10 . 2081 . 1 1 6 DTR CD1 C -2.506 8.207 -1.849 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD1 . . . . . . . . . rr_1xy4 1
. 10 . 2082 . 1 1 6 DTR CD2 C -3.362 6.825 -3.355 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CD2 . . . . . . . . . rr_1xy4 1
. 10 . 2083 . 1 1 6 DTR CE2 C -4.385 7.635 -2.910 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE2 . . . . . . . . . rr_1xy4 1
. 10 . 2084 . 1 1 6 DTR CE3 C -3.580 5.830 -4.323 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CE3 . . . . . . . . . rr_1xy4 1
. 10 . 2085 . 1 1 6 DTR CG C -2.152 7.203 -2.663 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CG . . . . . . . . . rr_1xy4 1
. 10 . 2086 . 1 1 6 DTR CH2 C -5.945 6.551 -4.344 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CH2 . . . . . . . . . rr_1xy4 1
. 10 . 2087 . 1 1 6 DTR CZ2 C -5.702 7.534 -3.379 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ2 . . . . . . . . . rr_1xy4 1
. 10 . 2088 . 1 1 6 DTR CZ3 C -4.901 5.742 -4.781 . . . 1.0 . . . . . . . . . . . . A . 6 DTR CZ3 . . . . . . . . . rr_1xy4 1
. 10 . 2089 . 1 1 6 DTR H H -0.759 5.972 0.195 . . . 1.0 . . . . . . . . . . . . A . 6 DTR H . . . . . . . . . rr_1xy4 1
. 10 . 2090 . 1 1 6 DTR HA H 0.019 7.587 -1.060 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HA . . . . . . . . . rr_1xy4 1
. 10 . 2091 . 1 1 6 DTR HB2 H -0.248 7.084 -3.650 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB2 . . . . . . . . . rr_1xy4 1
. 10 . 2092 . 1 1 6 DTR HB3 H -0.888 5.535 -3.137 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HB3 . . . . . . . . . rr_1xy4 1
. 10 . 2093 . 1 1 6 DTR HD1 H -1.820 8.727 -1.181 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HD1 . . . . . . . . . rr_1xy4 1
. 10 . 2094 . 1 1 6 DTR HE1 H -4.391 9.275 -1.418 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE1 . . . . . . . . . rr_1xy4 1
. 10 . 2095 . 1 1 6 DTR HE3 H -2.786 5.180 -4.689 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HE3 . . . . . . . . . rr_1xy4 1
. 10 . 2096 . 1 1 6 DTR HH2 H -6.947 6.419 -4.751 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HH2 . . . . . . . . . rr_1xy4 1
. 10 . 2097 . 1 1 6 DTR HZ2 H -6.493 8.186 -3.011 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ2 . . . . . . . . . rr_1xy4 1
. 10 . 2098 . 1 1 6 DTR HZ3 H -5.127 4.986 -5.534 . . . 1.0 . . . . . . . . . . . . A . 6 DTR HZ3 . . . . . . . . . rr_1xy4 1
. 10 . 2099 . 1 1 6 DTR N N -0.414 5.623 -0.675 . . . 1.0 . . . . . . . . . . . . A . 6 DTR N . . . . . . . . . rr_1xy4 1
. 10 . 2100 . 1 1 6 DTR NE1 N -3.850 8.503 -1.965 . . . 1.0 . . . . . . . . . . . . A . 6 DTR NE1 . . . . . . . . . rr_1xy4 1
. 10 . 2101 . 1 1 6 DTR O O 2.467 6.911 -1.258 . . . 1.0 . . . . . . . . . . . . A . 6 DTR O . . . . . . . . . rr_1xy4 1
. 10 . 2102 . 1 1 7 IAM C C 4.084 5.109 -1.942 . . . 1.0 . . . . . . . . . . . . A . 7 IAM C . . . . . . . . . rr_1xy4 1
. 10 . 2103 . 1 1 7 IAM CA C 3.127 4.960 -3.126 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CA . . . . . . . . . rr_1xy4 1
. 10 . 2104 . 1 1 7 IAM CB C 3.586 5.885 -4.256 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CB . . . . . . . . . rr_1xy4 1
. 10 . 2105 . 1 1 7 IAM CD1 C 2.001 6.012 -6.190 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD1 . . . . . . . . . rr_1xy4 1
. 10 . 2106 . 1 1 7 IAM CD2 C 3.805 4.505 -6.334 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CD2 . . . . . . . . . rr_1xy4 1
. 10 . 2107 . 1 1 7 IAM CE1 C 1.561 5.610 -7.481 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE1 . . . . . . . . . rr_1xy4 1
. 10 . 2108 . 1 1 7 IAM CE2 C 3.366 4.103 -7.624 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CE2 . . . . . . . . . rr_1xy4 1
. 10 . 2109 . 1 1 7 IAM CG C 3.114 5.450 -5.644 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CG . . . . . . . . . rr_1xy4 1
. 10 . 2110 . 1 1 7 IAM CI C 0.632 2.079 -8.772 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CI . . . . . . . . . rr_1xy4 1
. 10 . 2111 . 1 1 7 IAM CK1 C -0.754 2.680 -9.065 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK1 . . . . . . . . . rr_1xy4 1
. 10 . 2112 . 1 1 7 IAM CK2 C 0.974 2.276 -7.285 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CK2 . . . . . . . . . rr_1xy4 1
. 10 . 2113 . 1 1 7 IAM CT C 1.778 4.229 -9.566 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CT . . . . . . . . . rr_1xy4 1
. 10 . 2114 . 1 1 7 IAM CZ C 2.253 4.662 -8.168 . . . 1.0 . . . . . . . . . . . . A . 7 IAM CZ . . . . . . . . . rr_1xy4 1
. 10 . 2115 . 1 1 7 IAM H H 1.049 4.887 -3.245 . . . 1.0 . . . . . . . . . . . . A . 7 IAM H . . . . . . . . . rr_1xy4 1
. 10 . 2116 . 1 1 7 IAM HA H 3.079 3.912 -3.421 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HA . . . . . . . . . rr_1xy4 1
. 10 . 2117 . 1 1 7 IAM HB H 3.221 6.891 -4.057 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB . . . . . . . . . rr_1xy4 1
. 10 . 2118 . 1 1 7 IAM HB1 H 4.674 5.932 -4.254 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HB1 . . . . . . . . . rr_1xy4 1
. 10 . 2119 . 1 1 7 IAM HD1 H 1.446 6.769 -5.637 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD1 . . . . . . . . . rr_1xy4 1
. 10 . 2120 . 1 1 7 IAM HD2 H 4.696 4.055 -5.896 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HD2 . . . . . . . . . rr_1xy4 1
. 10 . 2121 . 1 1 7 IAM HE1 H 0.671 6.060 -7.917 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE1 . . . . . . . . . rr_1xy4 1
. 10 . 2122 . 1 1 7 IAM HE2 H 3.922 3.345 -8.177 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HE2 . . . . . . . . . rr_1xy4 1
. 10 . 2123 . 1 1 7 IAM HH H 2.270 2.201 -10.215 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HH . . . . . . . . . rr_1xy4 1
. 10 . 2124 . 1 1 7 IAM HI H 0.623 1.034 -9.001 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HI . . . . . . . . . rr_1xy4 1
. 10 . 2125 . 1 1 7 IAM HK11 H -0.746 3.728 -8.838 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK11 . . . . . . . . . rr_1xy4 1
. 10 . 2126 . 1 1 7 IAM HK12 H -0.992 2.544 -10.099 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK12 . . . . . . . . . rr_1xy4 1
. 10 . 2127 . 1 1 7 IAM HK13 H -1.491 2.190 -8.463 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK13 . . . . . . . . . rr_1xy4 1
. 10 . 2128 . 1 1 7 IAM HK21 H 1.939 1.858 -7.081 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK21 . . . . . . . . . rr_1xy4 1
. 10 . 2129 . 1 1 7 IAM HK22 H 0.985 3.321 -7.055 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK22 . . . . . . . . . rr_1xy4 1
. 10 . 2130 . 1 1 7 IAM HK23 H 0.240 1.786 -6.680 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HK23 . . . . . . . . . rr_1xy4 1
. 10 . 2131 . 1 1 7 IAM HT1 H 2.491 4.545 -10.299 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT1 . . . . . . . . . rr_1xy4 1
. 10 . 2132 . 1 1 7 IAM HT2 H 0.827 4.675 -9.775 . . . 1.0 . . . . . . . . . . . . A . 7 IAM HT2 . . . . . . . . . rr_1xy4 1
. 10 . 2133 . 1 1 7 IAM N N 1.781 5.369 -2.764 . . . 1.0 . . . . . . . . . . . . A . 7 IAM N . . . . . . . . . rr_1xy4 1
. 10 . 2134 . 1 1 7 IAM NH N 1.651 2.756 -9.605 . . . 1.0 . . . . . . . . . . . . A . 7 IAM NH . . . . . . . . . rr_1xy4 1
. 10 . 2135 . 1 1 7 IAM O O 5.133 5.741 -2.062 . . . 1.0 . . . . . . . . . . . . A . 7 IAM O . . . . . . . . . rr_1xy4 1
. 10 . 2136 . 1 1 8 THR C C 4.527 3.213 1.071 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . rr_1xy4 1
. 10 . 2137 . 1 1 8 THR CA C 4.496 4.578 0.383 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . rr_1xy4 1
. 10 . 2138 . 1 1 8 THR CB C 3.939 5.693 1.272 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . rr_1xy4 1
. 10 . 2139 . 1 1 8 THR CG2 C 2.607 5.315 1.919 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . rr_1xy4 1
. 10 . 2140 . 1 1 8 THR H H 2.832 4.007 -0.734 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . rr_1xy4 1
. 10 . 2141 . 1 1 8 THR HA H 5.521 4.817 0.098 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . rr_1xy4 1
. 10 . 2142 . 1 1 8 THR HB H 3.852 6.626 0.715 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . rr_1xy4 1
. 10 . 2143 . 1 1 8 THR HG1 H 4.921 4.857 2.801 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . rr_1xy4 1
. 10 . 2144 . 1 1 8 THR HG21 H 2.502 5.841 2.868 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . rr_1xy4 1
. 10 . 2145 . 1 1 8 THR HG22 H 1.787 5.598 1.256 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . rr_1xy4 1
. 10 . 2146 . 1 1 8 THR HG23 H 2.577 4.240 2.093 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . rr_1xy4 1
. 10 . 2147 . 1 1 8 THR N N 3.687 4.518 -0.823 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . rr_1xy4 1
. 10 . 2148 . 1 1 8 THR O O 4.640 2.182 0.409 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . rr_1xy4 1
. 10 . 2149 . 1 1 8 THR OG1 O 4.852 5.754 2.364 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . rr_1xy4 1
. 10 . 2150 . 1 1 9 PHE C C 3.561 0.951 2.537 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . rr_1xy4 1
. 10 . 2151 . 1 1 9 PHE CA C 4.440 2.027 3.177 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . rr_1xy4 1
. 10 . 2152 . 1 1 9 PHE CB C 3.877 2.375 4.556 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . rr_1xy4 1
. 10 . 2153 . 1 1 9 PHE CD1 C 4.709 0.416 5.877 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . rr_1xy4 1
. 10 . 2154 . 1 1 9 PHE CD2 C 2.388 0.829 5.849 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . rr_1xy4 1
. 10 . 2155 . 1 1 9 PHE CE1 C 4.499 -0.709 6.716 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . rr_1xy4 1
. 10 . 2156 . 1 1 9 PHE CE2 C 2.179 -0.297 6.689 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . rr_1xy4 1
. 10 . 2157 . 1 1 9 PHE CG C 3.649 1.161 5.461 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . rr_1xy4 1
. 10 . 2158 . 1 1 9 PHE CZ C 3.239 -1.042 7.103 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . rr_1xy4 1
. 10 . 2159 . 1 1 9 PHE H H 4.333 4.091 2.923 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . rr_1xy4 1
. 10 . 2160 . 1 1 9 PHE HA H 5.473 1.675 3.212 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . rr_1xy4 1
. 10 . 2161 . 1 1 9 PHE HB2 H 4.560 3.064 5.053 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . rr_1xy4 1
. 10 . 2162 . 1 1 9 PHE HB3 H 2.930 2.901 4.429 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . rr_1xy4 1
. 10 . 2163 . 1 1 9 PHE HD1 H 5.718 0.684 5.565 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . rr_1xy4 1
. 10 . 2164 . 1 1 9 PHE HD2 H 1.541 1.427 5.515 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . rr_1xy4 1
. 10 . 2165 . 1 1 9 PHE HE1 H 5.347 -1.307 7.050 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . rr_1xy4 1
. 10 . 2166 . 1 1 9 PHE HE2 H 1.169 -0.563 7.000 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . rr_1xy4 1
. 10 . 2167 . 1 1 9 PHE HZ H 3.077 -1.907 7.747 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . rr_1xy4 1
. 10 . 2168 . 1 1 9 PHE N N 4.424 3.249 2.392 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . rr_1xy4 1
. 10 . 2169 . 1 1 9 PHE O O 2.804 1.235 1.609 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . rr_1xy4 1
. 10 . 2170 . 1 1 10 LYS C C 2.130 -2.017 3.696 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_1xy4 1
. 10 . 2171 . 1 1 10 LYS CA C 2.915 -1.379 2.548 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_1xy4 1
. 10 . 2172 . 1 1 10 LYS CB C 3.819 -2.361 1.801 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_1xy4 1
. 10 . 2173 . 1 1 10 LYS CD C 5.385 -1.600 -0.025 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_1xy4 1
. 10 . 2174 . 1 1 10 LYS CE C 5.771 -2.129 -1.407 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_1xy4 1
. 10 . 2175 . 1 1 10 LYS CG C 3.944 -1.979 0.324 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_1xy4 1
. 10 . 2176 . 1 1 10 LYS H H 4.305 -0.482 3.811 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_1xy4 1
. 10 . 2177 . 1 1 10 LYS HA H 2.204 -0.981 1.823 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_1xy4 1
. 10 . 2178 . 1 1 10 LYS HB2 H 4.806 -2.374 2.261 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_1xy4 1
. 10 . 2179 . 1 1 10 LYS HB3 H 3.415 -3.369 1.886 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_1xy4 1
. 10 . 2180 . 1 1 10 LYS HD2 H 5.495 -0.515 0.000 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_1xy4 1
. 10 . 2181 . 1 1 10 LYS HD3 H 6.063 -2.004 0.726 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_1xy4 1
. 10 . 2182 . 1 1 10 LYS HE2 H 6.855 -2.164 -1.498 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_1xy4 1
. 10 . 2183 . 1 1 10 LYS HE3 H 5.407 -3.149 -1.527 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_1xy4 1
. 10 . 2184 . 1 1 10 LYS HG2 H 3.622 -2.813 -0.299 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_1xy4 1
. 10 . 2185 . 1 1 10 LYS HG3 H 3.280 -1.142 0.104 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_1xy4 1
. 10 . 2186 . 1 1 10 LYS HZ3 H 4.381 -1.725 -2.883 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_1xy4 1
. 10 . 2187 . 1 1 10 LYS N N 3.688 -0.260 3.057 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_1xy4 1
. 10 . 2188 . 1 1 10 LYS NZ N 5.204 -1.266 -2.466 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_1xy4 1
. 10 . 2189 . 1 1 10 LYS O O 2.572 -1.991 4.843 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_1xy4 1
. 10 . 2190 . 1 1 11 SER C C -0.520 -4.465 3.734 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_1xy4 1
. 10 . 2191 . 1 1 11 SER CA C 0.130 -3.217 4.335 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_1xy4 1
. 10 . 2192 . 1 1 11 SER CB C -0.931 -2.220 4.866 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_1xy4 1
. 10 . 2193 . 1 1 11 SER H H 0.627 -2.590 2.411 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_1xy4 1
. 10 . 2194 . 1 1 11 SER HA H 0.748 -3.556 5.187 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_1xy4 1
. 10 . 2195 . 1 1 11 SER HB2 H -0.432 -1.415 5.440 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_1xy4 1
. 10 . 2196 . 1 1 11 SER HB3 H -1.442 -1.701 4.032 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_1xy4 1
. 10 . 2197 . 1 1 11 SER HG H -2.380 -3.486 5.178 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_1xy4 1
. 10 . 2198 . 1 1 11 SER N N 0.979 -2.574 3.347 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_1xy4 1
. 10 . 2199 . 1 1 11 SER O O -1.739 -4.614 3.773 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_1xy4 1
. 10 . 2200 . 1 1 11 SER OG O -1.905 -2.842 5.710 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_1xy4 1
. 10 . 2201 . 1 1 12 CYS C C -0.532 -7.533 3.701 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_1xy4 1
. 10 . 2202 . 1 1 12 CYS CA C -0.151 -6.560 2.582 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_1xy4 1
. 10 . 2203 . 1 1 12 CYS CB C 0.888 -7.160 1.633 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_1xy4 1
. 10 . 2204 . 1 1 12 CYS H H 1.317 -5.200 3.163 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_1xy4 1
. 10 . 2205 . 1 1 12 CYS HA H -1.023 -6.296 1.985 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_1xy4 1
. 10 . 2206 . 1 1 12 CYS HB2 H 1.673 -7.629 2.225 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_1xy4 1
. 10 . 2207 . 1 1 12 CYS HB3 H 0.413 -7.950 1.049 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_1xy4 1
. 10 . 2208 . 1 1 12 CYS N N 0.326 -5.329 3.191 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_1xy4 1
. 10 . 2209 . 1 1 12 CYS O O -1.539 -7.245 4.503 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_1xy4 1
. 10 . 2210 . 1 1 12 CYS SG S 1.658 -5.964 0.482 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_1xy4 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_1xy4
_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 1xy4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1xy4 1
1 1xy4.mr . . DYANA/DIANA 2 distance NOE simple 228 rr_1xy4 1
1 1xy4.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1xy4 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_1xy4
_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: '1xy4'" . . . . distance "general distance" . 147 rr_1xy4 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 1xy4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1xy4 1
1 1xy4.mr . . DYANA/DIANA 2 distance NOE simple 228 rr_1xy4 1
1 1xy4.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1xy4 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_1xy4
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 2
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1xy4 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 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HB3 H . . . . . . . 2.66 . . . . . A . 10 LYS HA . . A . 10 LYS HB3 . . . 10 KBR HA . . . . . 10 KBR QB . . rr_1xy4 1
1 2 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HB2 H . . . . . . . 2.66 . . . . . A . 10 LYS HA . . A . 10 LYS HB2 . . . 10 KBR HA . . . . . 10 KBR QB . . rr_1xy4 1
2 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HD2 H . . . . . . . 3.52 . . . . . A . 10 LYS HA . . A . 10 LYS HD2 . . . 10 KBR HA . . . . . 10 KBR QD . . rr_1xy4 1
2 2 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HD3 H . . . . . . . 3.52 . . . . . A . 10 LYS HA . . A . 10 LYS HD3 . . . 10 KBR HA . . . . . 10 KBR QD . . rr_1xy4 1
3 1 . . 1 1 10 10 LYS HA H . . . 1 1 11 11 SER H H . . . . . . . 2.43 . . . . . A . 10 LYS HA . . A . 11 SER H . . . 10 KBR HA . . . . . 11 SER HN . . rr_1xy4 1
4 1 OR . 1 1 10 10 LYS HA H . . . 1 1 11 11 SER HB2 H . . . . . . . 4.80 . . . . . A . 10 LYS HA . . A . 11 SER HB2 . . . 10 KBR HA . . . . . 11 SER QB . . rr_1xy4 1
4 2 OR . 1 1 10 10 LYS HA H . . . 1 1 11 11 SER HB3 H . . . . . . . 4.80 . . . . . A . 10 LYS HA . . A . 11 SER HB3 . . . 10 KBR HA . . . . . 11 SER QB . . rr_1xy4 1
5 1 . . 1 1 10 10 LYS HB2 H . . . 1 1 10 10 LYS HE2 H . . . . . . . 4.96 . . . . . A . 10 LYS HB2 . . A . 10 LYS HE2 . . . 10 KBR HB2 . . . . . 10 KBR HE2 . . rr_1xy4 1
6 1 . . 1 1 10 10 LYS HB2 H . . . 1 1 10 10 LYS HE3 H . . . . . . . 4.96 . . . . . A . 10 LYS HB2 . . A . 10 LYS HE3 . . . 10 KBR HB2 . . . . . 10 KBR HE3 . . rr_1xy4 1
7 1 . . 1 1 10 10 LYS HB2 H . . . 1 1 11 11 SER HA H . . . . . . . 5.50 . . . . . A . 10 LYS HB2 . . A . 11 SER HA . . . 10 KBR HB2 . . . . . 11 SER HA . . rr_1xy4 1
8 1 . . 1 1 10 10 LYS HB2 H . . . 1 1 11 11 SER H H . . . . . . . 4.17 . . . . . A . 10 LYS HB2 . . A . 11 SER H . . . 10 KBR HB2 . . . . . 11 SER HN . . rr_1xy4 1
9 1 . . 1 1 10 10 LYS HE2 H . . . 1 1 10 10 LYS HB3 H . . . . . . . 4.96 . . . . . A . 10 LYS HB3 . . A . 10 LYS HE2 . . . 10 KBR HB3 . . . . . 10 KBR HE2 . . rr_1xy4 1
10 1 . . 1 1 10 10 LYS HB3 H . . . 1 1 10 10 LYS HE3 H . . . . . . . 4.96 . . . . . A . 10 LYS HB3 . . A . 10 LYS HE3 . . . 10 KBR HB3 . . . . . 10 KBR HE3 . . rr_1xy4 1
11 1 . . 1 1 11 11 SER HA H . . . 1 1 10 10 LYS HB3 H . . . . . . . 5.50 . . . . . A . 10 LYS HB3 . . A . 11 SER HA . . . 10 KBR HB3 . . . . . 11 SER HA . . rr_1xy4 1
12 1 . . 1 1 11 11 SER H H . . . 1 1 10 10 LYS HB3 H . . . . . . . 4.17 . . . . . A . 10 LYS HB3 . . A . 11 SER H . . . 10 KBR HB3 . . . . . 11 SER HN . . rr_1xy4 1
13 1 . . 1 1 10 10 LYS HB2 H . . . 1 1 10 10 LYS H H . . . . . . . 3.70 . . . . . A . 10 LYS H . . A . 10 LYS HB2 . . . 10 KBR HN . . . . . 10 KBR HB2 . . rr_1xy4 1
14 1 . . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB3 H . . . . . . . 3.70 . . . . . A . 10 LYS H . . A . 10 LYS HB3 . . . 10 KBR HN . . . . . 10 KBR HB3 . . rr_1xy4 1
15 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB3 H . . . . . . . 3.31 . . . . . A . 10 LYS H . . A . 10 LYS HB3 . . . 10 KBR HN . . . . . 10 KBR QB . . rr_1xy4 1
15 2 OR . 1 1 10 10 LYS HB2 H . . . 1 1 10 10 LYS H H . . . . . . . 3.31 . . . . . A . 10 LYS H . . A . 10 LYS HB2 . . . 10 KBR HN . . . . . 10 KBR QB . . rr_1xy4 1
16 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HD2 H . . . . . . . 5.01 . . . . . A . 10 LYS H . . A . 10 LYS HD2 . . . 10 KBR HN . . . . . 10 KBR QD . . rr_1xy4 1
16 2 OR . 1 1 10 10 LYS HD3 H . . . 1 1 10 10 LYS H H . . . . . . . 5.01 . . . . . A . 10 LYS H . . A . 10 LYS HD3 . . . 10 KBR HN . . . . . 10 KBR QD . . rr_1xy4 1
17 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG2 H . . . . . . . 6.38 . . . . . A . 10 LYS H . . A . 10 LYS HG2 . . . 10 KBR HN . . . . . 10 KBR QG . . rr_1xy4 1
17 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG3 H . . . . . . . 6.38 . . . . . A . 10 LYS H . . A . 10 LYS HG3 . . . 10 KBR HN . . . . . 10 KBR QG . . rr_1xy4 1
18 1 OR . 1 1 10 10 LYS QZ H . . . 1 1 10 10 LYS HB3 H . . . . . . . 4.98 . . . . . A . 10 LYS HB3 . . A . 10 LYS QZ . . . 10 KBR QB . . . . . 10 KBR HZ1 . . rr_1xy4 1
18 2 OR . 1 1 10 10 LYS HB2 H . . . 1 1 10 10 LYS QZ H . . . . . . . 4.98 . . . . . A . 10 LYS HB2 . . A . 10 LYS QZ . . . 10 KBR QB . . . . . 10 KBR HZ1 . . rr_1xy4 1
19 1 OR . 1 1 10 10 LYS HB3 H . . . 1 1 10 10 LYS HE3 H . . . . . . . 3.94 . . . . . A . 10 LYS HB3 . . A . 10 LYS HE3 . . . 10 KBR QB . . . . . 10 KBR QE . . rr_1xy4 1
19 2 OR . 1 1 10 10 LYS HB2 H . . . 1 1 10 10 LYS HE3 H . . . . . . . 3.94 . . . . . A . 10 LYS HB2 . . A . 10 LYS HE3 . . . 10 KBR QB . . . . . 10 KBR QE . . rr_1xy4 1
19 3 OR . 1 1 10 10 LYS HE2 H . . . 1 1 10 10 LYS HB3 H . . . . . . . 3.94 . . . . . A . 10 LYS HB3 . . A . 10 LYS HE2 . . . 10 KBR QB . . . . . 10 KBR QE . . rr_1xy4 1
19 4 OR . 1 1 10 10 LYS HB2 H . . . 1 1 10 10 LYS HE2 H . . . . . . . 3.94 . . . . . A . 10 LYS HB2 . . A . 10 LYS HE2 . . . 10 KBR QB . . . . . 10 KBR QE . . rr_1xy4 1
20 1 OR . 1 1 11 11 SER H H . . . 1 1 10 10 LYS HB3 H . . . . . . . 3.84 . . . . . A . 10 LYS HB3 . . A . 11 SER H . . . 10 KBR QB . . . . . 11 SER HN . . rr_1xy4 1
20 2 OR . 1 1 10 10 LYS HB2 H . . . 1 1 11 11 SER H H . . . . . . . 3.84 . . . . . A . 10 LYS HB2 . . A . 11 SER H . . . 10 KBR QB . . . . . 11 SER HN . . rr_1xy4 1
21 1 OR . 1 1 11 11 SER HA H . . . 1 1 10 10 LYS HD2 H . . . . . . . 6.38 . . . . . A . 10 LYS HD2 . . A . 11 SER HA . . . 10 KBR QD . . . . . 11 SER HA . . rr_1xy4 1
21 2 OR . 1 1 10 10 LYS HD3 H . . . 1 1 11 11 SER HA H . . . . . . . 6.38 . . . . . A . 10 LYS HD3 . . A . 11 SER HA . . . 10 KBR QD . . . . . 11 SER HA . . rr_1xy4 1
22 1 OR . 1 1 11 11 SER H H . . . 1 1 10 10 LYS HD2 H . . . . . . . 5.97 . . . . . A . 10 LYS HD2 . . A . 11 SER H . . . 10 KBR QD . . . . . 11 SER HN . . rr_1xy4 1
22 2 OR . 1 1 10 10 LYS HD3 H . . . 1 1 11 11 SER H H . . . . . . . 5.97 . . . . . A . 10 LYS HD3 . . A . 11 SER H . . . 10 KBR QD . . . . . 11 SER HN . . rr_1xy4 1
23 1 OR . 1 1 10 10 LYS HG3 H . . . 1 1 10 10 LYS HE2 H . . . . . . . 3.28 . . . . . A . 10 LYS HG3 . . A . 10 LYS HE2 . . . 10 KBR QG . . . . . 10 KBR HE2 . . rr_1xy4 1
23 2 OR . 1 1 10 10 LYS HE2 H . . . 1 1 10 10 LYS HG2 H . . . . . . . 3.28 . . . . . A . 10 LYS HG2 . . A . 10 LYS HE2 . . . 10 KBR QG . . . . . 10 KBR HE2 . . rr_1xy4 1
24 1 OR . 1 1 10 10 LYS HG3 H . . . 1 1 10 10 LYS HE3 H . . . . . . . 3.28 . . . . . A . 10 LYS HG3 . . A . 10 LYS HE3 . . . 10 KBR QG . . . . . 10 KBR HE3 . . rr_1xy4 1
24 2 OR . 1 1 10 10 LYS HE3 H . . . 1 1 10 10 LYS HG2 H . . . . . . . 3.28 . . . . . A . 10 LYS HG2 . . A . 10 LYS HE3 . . . 10 KBR QG . . . . . 10 KBR HE3 . . rr_1xy4 1
25 1 OR . 1 1 10 10 LYS QZ H . . . 1 1 10 10 LYS HG2 H . . . . . . . 4.83 . . . . . A . 10 LYS HG2 . . A . 10 LYS QZ . . . 10 KBR QG . . . . . 10 KBR HZ1 . . rr_1xy4 1
25 2 OR . 1 1 10 10 LYS HG3 H . . . 1 1 10 10 LYS QZ H . . . . . . . 4.83 . . . . . A . 10 LYS HG3 . . A . 10 LYS QZ . . . 10 KBR QG . . . . . 10 KBR HZ1 . . rr_1xy4 1
26 1 OR . 1 1 11 11 SER H H . . . 1 1 10 10 LYS HG2 H . . . . . . . 5.91 . . . . . A . 10 LYS HG2 . . A . 11 SER H . . . 10 KBR QG . . . . . 11 SER HN . . rr_1xy4 1
26 2 OR . 1 1 11 11 SER H H . . . 1 1 10 10 LYS HG3 H . . . . . . . 5.91 . . . . . A . 10 LYS HG3 . . A . 11 SER H . . . 10 KBR QG . . . . . 11 SER HN . . rr_1xy4 1
27 1 OR . 1 1 11 11 SER H H . . . 1 1 11 11 SER HB2 H . . . . . . . 3.90 . . . . . A . 11 SER H . . A . 11 SER HB2 . . . 11 SER HN . . . . . 11 SER QB . . rr_1xy4 1
27 2 OR . 1 1 11 11 SER H H . . . 1 1 11 11 SER HB3 H . . . . . . . 3.90 . . . . . A . 11 SER H . . A . 11 SER HB3 . . . 11 SER HN . . . . . 11 SER QB . . rr_1xy4 1
28 1 . . 1 1 12 12 CYS H H . . . 1 1 12 12 CYS HA H . . . . . . . 2.80 . . . . . A . 12 CYS H . . A . 12 CYS HA . . . 12 CYSS HN . . . . . 12 CYSS HA . . rr_1xy4 1
29 1 . . 1 1 1 1 TYR HA H . . . 1 1 1 1 TYR HB2 H . . . . . . . 2.83 . . . . . A . 1 TYR HA . . A . 1 TYR HB2 . . . 1 TYR HA . . . . . 1 TYR HB2 . . rr_1xy4 1
30 1 . . 1 1 1 1 TYR HA H . . . 1 1 1 1 TYR HB3 H . . . . . . . 2.83 . . . . . A . 1 TYR HA . . A . 1 TYR HB3 . . . 1 TYR HA . . . . . 1 TYR HB3 . . rr_1xy4 1
31 1 OR . 1 1 1 1 TYR HA H . . . 1 1 1 1 TYR HB2 H . . . . . . . 2.57 . . . . . A . 1 TYR HA . . A . 1 TYR HB2 . . . 1 TYR HA . . . . . 1 TYR QB . . rr_1xy4 1
31 2 OR . 1 1 1 1 TYR HA H . . . 1 1 1 1 TYR HB3 H . . . . . . . 2.57 . . . . . A . 1 TYR HA . . A . 1 TYR HB3 . . . 1 TYR HA . . . . . 1 TYR QB . . rr_1xy4 1
32 1 . . 1 1 1 1 TYR HA H . . . 1 1 2 2 CYS H H . . . . . . . 2.80 . . . . . A . 1 TYR HA . . A . 2 CYS H . . . 1 TYR HA . . . . . 2 CYSS HN . . rr_1xy4 1
33 1 . . 1 1 2 2 CYS H H . . . 1 1 1 1 TYR HB2 H . . . . . . . 2.90 . . . . . A . 1 TYR HB2 . . A . 2 CYS H . . . 1 TYR HB2 . . . . . 2 CYSS HN . . rr_1xy4 1
34 1 . . 1 1 1 1 TYR HB3 H . . . 1 1 2 2 CYS H H . . . . . . . 2.90 . . . . . A . 1 TYR HB3 . . A . 2 CYS H . . . 1 TYR HB3 . . . . . 2 CYSS HN . . rr_1xy4 1
35 1 OR . 1 1 2 2 CYS H H . . . 1 1 1 1 TYR HB2 H . . . . . . . 2.70 . . . . . A . 1 TYR HB2 . . A . 2 CYS H . . . 1 TYR QB . . . . . 2 CYSS HN . . rr_1xy4 1
35 2 OR . 1 1 1 1 TYR HB3 H . . . 1 1 2 2 CYS H H . . . . . . . 2.70 . . . . . A . 1 TYR HB3 . . A . 2 CYS H . . . 1 TYR QB . . . . . 2 CYSS HN . . rr_1xy4 1
36 1 OR . 1 1 3 3 LYS H H . . . 1 1 1 1 TYR HB2 H . . . . . . . 5.54 . . . . . A . 1 TYR HB2 . . A . 3 LYS H . . . 1 TYR QB . . . . . 3 LYS HN . . rr_1xy4 1
36 2 OR . 1 1 1 1 TYR HB3 H . . . 1 1 3 3 LYS H H . . . . . . . 5.54 . . . . . A . 1 TYR HB3 . . A . 3 LYS H . . . 1 TYR QB . . . . . 3 LYS HN . . rr_1xy4 1
37 1 . . 1 1 2 2 CYS H H . . . 1 1 1 1 TYR QD H . . . . . . . 7.64 . . . . . A . 1 TYR QD . . A . 2 CYS H . . . 1 TYR QD . . . . . 2 CYSS HN . . rr_1xy4 1
38 1 . . 1 1 1 1 TYR QD H . . . 1 1 3 3 LYS HA H . . . . . . . 7.64 . . . . . A . 1 TYR QD . . A . 3 LYS HA . . . 1 TYR QD . . . . . 3 LYS HA . . rr_1xy4 1
39 1 OR . 1 1 1 1 TYR QD H . . . 1 1 3 3 LYS HD2 H . . . . . . . 8.52 . . . . . A . 1 TYR QD . . A . 3 LYS HD2 . . . 1 TYR QD . . . . . 3 LYS QD . . rr_1xy4 1
39 2 OR . 1 1 1 1 TYR QD H . . . 1 1 3 3 LYS HD3 H . . . . . . . 8.52 . . . . . A . 1 TYR QD . . A . 3 LYS HD3 . . . 1 TYR QD . . . . . 3 LYS QD . . rr_1xy4 1
40 1 OR . 1 1 1 1 TYR QD H . . . 1 1 3 3 LYS HG3 H . . . . . . . 8.52 . . . . . A . 1 TYR QD . . A . 3 LYS HG3 . . . 1 TYR QD . . . . . 3 LYS QG . . rr_1xy4 1
40 2 OR . 1 1 1 1 TYR QD H . . . 1 1 3 3 LYS HG2 H . . . . . . . 8.52 . . . . . A . 1 TYR QD . . A . 3 LYS HG2 . . . 1 TYR QD . . . . . 3 LYS QG . . rr_1xy4 1
41 1 . . 1 1 3 3 LYS HA H . . . 1 1 1 1 TYR QE H . . . . . . . 7.63 . . . . . A . 1 TYR QE . . A . 3 LYS HA . . . 1 TYR QE . . . . . 3 LYS HA . . rr_1xy4 1
42 1 . . 1 1 3 3 LYS HG2 H . . . 1 1 1 1 TYR QE H . . . . . . . 7.63 . . . . . A . 1 TYR QE . . A . 3 LYS HG2 . . . 1 TYR QE . . . . . 3 LYS HG2 . . rr_1xy4 1
43 1 . . 1 1 1 1 TYR QE H . . . 1 1 3 3 LYS HG3 H . . . . . . . 7.63 . . . . . A . 1 TYR QE . . A . 3 LYS HG3 . . . 1 TYR QE . . . . . 3 LYS HG3 . . rr_1xy4 1
44 1 OR . 1 1 1 1 TYR QE H . . . 1 1 3 3 LYS HB2 H . . . . . . . 8.51 . . . . . A . 1 TYR QE . . A . 3 LYS HB2 . . . 1 TYR QE . . . . . 3 LYS QB . . rr_1xy4 1
44 2 OR . 1 1 1 1 TYR QE H . . . 1 1 3 3 LYS HB3 H . . . . . . . 8.51 . . . . . A . 1 TYR QE . . A . 3 LYS HB3 . . . 1 TYR QE . . . . . 3 LYS QB . . rr_1xy4 1
45 1 OR . 1 1 1 1 TYR QE H . . . 1 1 3 3 LYS HD2 H . . . . . . . 8.51 . . . . . A . 1 TYR QE . . A . 3 LYS HD2 . . . 1 TYR QE . . . . . 3 LYS QD . . rr_1xy4 1
45 2 OR . 1 1 3 3 LYS HD3 H . . . 1 1 1 1 TYR QE H . . . . . . . 8.51 . . . . . A . 1 TYR QE . . A . 3 LYS HD3 . . . 1 TYR QE . . . . . 3 LYS QD . . rr_1xy4 1
46 1 OR . 1 1 1 1 TYR QE H . . . 1 1 3 3 LYS HG3 H . . . . . . . 7.40 . . . . . A . 1 TYR QE . . A . 3 LYS HG3 . . . 1 TYR QE . . . . . 3 LYS QG . . rr_1xy4 1
46 2 OR . 1 1 3 3 LYS HG2 H . . . 1 1 1 1 TYR QE H . . . . . . . 7.40 . . . . . A . 1 TYR QE . . A . 3 LYS HG2 . . . 1 TYR QE . . . . . 3 LYS QG . . rr_1xy4 1
47 1 . . 1 1 12 12 CYS HA H . . . 1 1 2 2 CYS HA H . . . . . . . 2.52 . . . . . A . 2 CYS HA . . A . 12 CYS HA . . . 2 CYSS HA . . . . . 12 CYSS HA . . rr_1xy4 1
48 1 OR . 1 1 2 2 CYS HA H . . . 1 1 2 2 CYS HB3 H . . . . . . . 2.62 . . . . . A . 2 CYS HA . . A . 2 CYS HB3 . . . 2 CYSS HA . . . . . 2 CYSS QB . . rr_1xy4 1
48 2 OR . 1 1 2 2 CYS HA H . . . 1 1 2 2 CYS HB2 H . . . . . . . 2.62 . . . . . A . 2 CYS HA . . A . 2 CYS HB2 . . . 2 CYSS HA . . . . . 2 CYSS QB . . rr_1xy4 1
49 1 . . 1 1 3 3 LYS HA H . . . 1 1 2 2 CYS HA H . . . . . . . 4.63 . . . . . A . 2 CYS HA . . A . 3 LYS HA . . . 2 CYSS HA . . . . . 3 LYS HA . . rr_1xy4 1
50 1 . . 1 1 3 3 LYS HG2 H . . . 1 1 2 2 CYS HA H . . . . . . . 5.47 . . . . . A . 2 CYS HA . . A . 3 LYS HG2 . . . 2 CYSS HA . . . . . 3 LYS HG2 . . rr_1xy4 1
51 1 . . 1 1 2 2 CYS HA H . . . 1 1 3 3 LYS HG3 H . . . . . . . 5.47 . . . . . A . 2 CYS HA . . A . 3 LYS HG3 . . . 2 CYSS HA . . . . . 3 LYS HG3 . . rr_1xy4 1
52 1 . . 1 1 3 3 LYS H H . . . 1 1 2 2 CYS HA H . . . . . . . 2.56 . . . . . A . 2 CYS HA . . A . 3 LYS H . . . 2 CYSS HA . . . . . 3 LYS HN . . rr_1xy4 1
53 1 OR . 1 1 2 2 CYS HA H . . . 1 1 3 3 LYS HB2 H . . . . . . . 4.45 . . . . . A . 2 CYS HA . . A . 3 LYS HB2 . . . 2 CYSS HA . . . . . 3 LYS QB . . rr_1xy4 1
53 2 OR . 1 1 3 3 LYS HB3 H . . . 1 1 2 2 CYS HA H . . . . . . . 4.45 . . . . . A . 2 CYS HA . . A . 3 LYS HB3 . . . 2 CYSS HA . . . . . 3 LYS QB . . rr_1xy4 1
54 1 OR . 1 1 2 2 CYS HA H . . . 1 1 3 3 LYS HG3 H . . . . . . . 4.84 . . . . . A . 2 CYS HA . . A . 3 LYS HG3 . . . 2 CYSS HA . . . . . 3 LYS QG . . rr_1xy4 1
54 2 OR . 1 1 3 3 LYS HG2 H . . . 1 1 2 2 CYS HA H . . . . . . . 4.84 . . . . . A . 2 CYS HA . . A . 3 LYS HG2 . . . 2 CYSS HA . . . . . 3 LYS QG . . rr_1xy4 1
55 1 . . 1 1 3 3 LYS HA H . . . 1 1 2 2 CYS HB2 H . . . . . . . 5.50 . . . . . A . 2 CYS HB2 . . A . 3 LYS HA . . . 2 CYSS HB2 . . . . . 3 LYS HA . . rr_1xy4 1
56 1 . . 1 1 3 3 LYS H H . . . 1 1 2 2 CYS HB2 H . . . . . . . 4.54 . . . . . A . 2 CYS HB2 . . A . 3 LYS H . . . 2 CYSS HB2 . . . . . 3 LYS HN . . rr_1xy4 1
57 1 . . 1 1 3 3 LYS HA H . . . 1 1 2 2 CYS HB3 H . . . . . . . 5.50 . . . . . A . 2 CYS HB3 . . A . 3 LYS HA . . . 2 CYSS HB3 . . . . . 3 LYS HA . . rr_1xy4 1
58 1 . . 1 1 3 3 LYS H H . . . 1 1 2 2 CYS HB3 H . . . . . . . 4.54 . . . . . A . 2 CYS HB3 . . A . 3 LYS H . . . 2 CYSS HB3 . . . . . 3 LYS HN . . rr_1xy4 1
59 1 . . 1 1 12 12 CYS HA H . . . 1 1 2 2 CYS H H . . . . . . . 4.11 . . . . . A . 2 CYS H . . A . 12 CYS HA . . . 2 CYSS HN . . . . . 12 CYSS HA . . rr_1xy4 1
60 1 . . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HA H . . . . . . . 2.90 . . . . . A . 2 CYS H . . A . 2 CYS HA . . . 2 CYSS HN . . . . . 2 CYSS HA . . rr_1xy4 1
61 1 . . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB2 H . . . . . . . 3.70 . . . . . A . 2 CYS H . . A . 2 CYS HB2 . . . 2 CYSS HN . . . . . 2 CYSS HB2 . . rr_1xy4 1
62 1 . . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB3 H . . . . . . . 3.70 . . . . . A . 2 CYS H . . A . 2 CYS HB3 . . . 2 CYSS HN . . . . . 2 CYSS HB3 . . rr_1xy4 1
63 1 OR . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB3 H . . . . . . . 3.15 . . . . . A . 2 CYS H . . A . 2 CYS HB3 . . . 2 CYSS HN . . . . . 2 CYSS QB . . rr_1xy4 1
63 2 OR . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB2 H . . . . . . . 3.15 . . . . . A . 2 CYS H . . A . 2 CYS HB2 . . . 2 CYSS HN . . . . . 2 CYSS QB . . rr_1xy4 1
64 1 . . 1 1 2 2 CYS H H . . . 1 1 3 3 LYS H H . . . . . . . 5.47 . . . . . A . 2 CYS H . . A . 3 LYS H . . . 2 CYSS HN . . . . . 3 LYS HN . . rr_1xy4 1
65 1 OR . 1 1 2 2 CYS H H . . . 1 1 3 3 LYS HB2 H . . . . . . . 5.73 . . . . . A . 2 CYS H . . A . 3 LYS HB2 . . . 2 CYSS HN . . . . . 3 LYS QB . . rr_1xy4 1
65 2 OR . 1 1 2 2 CYS H H . . . 1 1 3 3 LYS HB3 H . . . . . . . 5.73 . . . . . A . 2 CYS H . . A . 3 LYS HB3 . . . 2 CYSS HN . . . . . 3 LYS QB . . rr_1xy4 1
66 1 OR . 1 1 2 2 CYS H H . . . 1 1 3 3 LYS HG3 H . . . . . . . 6.19 . . . . . A . 2 CYS H . . A . 3 LYS HG3 . . . 2 CYSS HN . . . . . 3 LYS QG . . rr_1xy4 1
66 2 OR . 1 1 2 2 CYS H H . . . 1 1 3 3 LYS HG2 H . . . . . . . 6.19 . . . . . A . 2 CYS H . . A . 3 LYS HG2 . . . 2 CYSS HN . . . . . 3 LYS QG . . rr_1xy4 1
67 1 OR . 1 1 3 3 LYS H H . . . 1 1 2 2 CYS HB3 H . . . . . . . 4.05 . . . . . A . 2 CYS HB3 . . A . 3 LYS H . . . 2 CYSS QB . . . . . 3 LYS HN . . rr_1xy4 1
67 2 OR . 1 1 3 3 LYS H H . . . 1 1 2 2 CYS HB2 H . . . . . . . 4.05 . . . . . A . 2 CYS HB2 . . A . 3 LYS H . . . 2 CYSS QB . . . . . 3 LYS HN . . rr_1xy4 1
68 1 OR . 1 1 3 3 LYS HA H . . . 1 1 11 11 SER HB2 H . . . . . . . 6.38 . . . . . A . 3 LYS HA . . A . 11 SER HB2 . . . 3 LYS HA . . . . . 11 SER QB . . rr_1xy4 1
68 2 OR . 1 1 11 11 SER HB3 H . . . 1 1 3 3 LYS HA H . . . . . . . 6.38 . . . . . A . 3 LYS HA . . A . 11 SER HB3 . . . 3 LYS HA . . . . . 11 SER QB . . rr_1xy4 1
69 1 . . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HG2 H . . . . . . . 3.67 . . . . . A . 3 LYS HA . . A . 3 LYS HG2 . . . 3 LYS HA . . . . . 3 LYS HG2 . . rr_1xy4 1
70 1 . . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HG3 H . . . . . . . 3.67 . . . . . A . 3 LYS HA . . A . 3 LYS HG3 . . . 3 LYS HA . . . . . 3 LYS HG3 . . rr_1xy4 1
71 1 OR . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HD2 H . . . . . . . 5.57 . . . . . A . 3 LYS HA . . A . 3 LYS HD2 . . . 3 LYS HA . . . . . 3 LYS QD . . rr_1xy4 1
71 2 OR . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HD3 H . . . . . . . 5.57 . . . . . A . 3 LYS HA . . A . 3 LYS HD3 . . . 3 LYS HA . . . . . 3 LYS QD . . rr_1xy4 1
72 1 OR . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HG3 H . . . . . . . 3.49 . . . . . A . 3 LYS HA . . A . 3 LYS HG3 . . . 3 LYS HA . . . . . 3 LYS QG . . rr_1xy4 1
72 2 OR . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HG2 H . . . . . . . 3.49 . . . . . A . 3 LYS HA . . A . 3 LYS HG2 . . . 3 LYS HA . . . . . 3 LYS QG . . rr_1xy4 1
73 1 OR . 1 1 3 3 LYS H H . . . 1 1 10 10 LYS HD2 H . . . . . . . 6.38 . . . . . A . 3 LYS H . . A . 10 LYS HD2 . . . 3 LYS HN . . . . . 10 KBR QD . . rr_1xy4 1
73 2 OR . 1 1 10 10 LYS HD3 H . . . 1 1 3 3 LYS H H . . . . . . . 6.38 . . . . . A . 3 LYS H . . A . 10 LYS HD3 . . . 3 LYS HN . . . . . 10 KBR QD . . rr_1xy4 1
74 1 . . 1 1 11 11 SER H H . . . 1 1 3 3 LYS H H . . . . . . . 2.83 . . . . . A . 3 LYS H . . A . 11 SER H . . . 3 LYS HN . . . . . 11 SER HN . . rr_1xy4 1
75 1 OR . 1 1 3 3 LYS H H . . . 1 1 11 11 SER HB2 H . . . . . . . 6.38 . . . . . A . 3 LYS H . . A . 11 SER HB2 . . . 3 LYS HN . . . . . 11 SER QB . . rr_1xy4 1
75 2 OR . 1 1 11 11 SER HB3 H . . . 1 1 3 3 LYS H H . . . . . . . 6.38 . . . . . A . 3 LYS H . . A . 11 SER HB3 . . . 3 LYS HN . . . . . 11 SER QB . . rr_1xy4 1
76 1 . . 1 1 12 12 CYS HA H . . . 1 1 3 3 LYS H H . . . . . . . 3.24 . . . . . A . 3 LYS H . . A . 12 CYS HA . . . 3 LYS HN . . . . . 12 CYSS HA . . rr_1xy4 1
77 1 . . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HG2 H . . . . . . . 3.08 . . . . . A . 3 LYS H . . A . 3 LYS HG2 . . . 3 LYS HN . . . . . 3 LYS HG2 . . rr_1xy4 1
78 1 . . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HG3 H . . . . . . . 3.08 . . . . . A . 3 LYS H . . A . 3 LYS HG3 . . . 3 LYS HN . . . . . 3 LYS HG3 . . rr_1xy4 1
79 1 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HB2 H . . . . . . . 3.40 . . . . . A . 3 LYS H . . A . 3 LYS HB2 . . . 3 LYS HN . . . . . 3 LYS QB . . rr_1xy4 1
79 2 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HB3 H . . . . . . . 3.40 . . . . . A . 3 LYS H . . A . 3 LYS HB3 . . . 3 LYS HN . . . . . 3 LYS QB . . rr_1xy4 1
80 1 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HD2 H . . . . . . . 4.89 . . . . . A . 3 LYS H . . A . 3 LYS HD2 . . . 3 LYS HN . . . . . 3 LYS QD . . rr_1xy4 1
80 2 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HD3 H . . . . . . . 4.89 . . . . . A . 3 LYS H . . A . 3 LYS HD3 . . . 3 LYS HN . . . . . 3 LYS QD . . rr_1xy4 1
81 1 OR . 1 1 11 11 SER H H . . . 1 1 3 3 LYS HB2 H . . . . . . . 5.11 . . . . . A . 3 LYS HB2 . . A . 11 SER H . . . 3 LYS QB . . . . . 11 SER HN . . rr_1xy4 1
81 2 OR . 1 1 11 11 SER H H . . . 1 1 3 3 LYS HB3 H . . . . . . . 5.11 . . . . . A . 3 LYS HB3 . . A . 11 SER H . . . 3 LYS QB . . . . . 11 SER HN . . rr_1xy4 1
82 1 OR . 1 1 3 3 LYS HB2 H . . . 1 1 3 3 LYS HE2 H . . . . . . . 4.65 . . . . . A . 3 LYS HB2 . . A . 3 LYS HE2 . . . 3 LYS QB . . . . . 3 LYS QE . . rr_1xy4 1
82 2 OR . 1 1 3 3 LYS HB3 H . . . 1 1 3 3 LYS HE2 H . . . . . . . 4.65 . . . . . A . 3 LYS HB3 . . A . 3 LYS HE2 . . . 3 LYS QB . . . . . 3 LYS QE . . rr_1xy4 1
82 3 OR . 1 1 3 3 LYS HE3 H . . . 1 1 3 3 LYS HB2 H . . . . . . . 4.65 . . . . . A . 3 LYS HB2 . . A . 3 LYS HE3 . . . 3 LYS QB . . . . . 3 LYS QE . . rr_1xy4 1
82 4 OR . 1 1 3 3 LYS HB3 H . . . 1 1 3 3 LYS HE3 H . . . . . . . 4.65 . . . . . A . 3 LYS HB3 . . A . 3 LYS HE3 . . . 3 LYS QB . . . . . 3 LYS QE . . rr_1xy4 1
83 1 OR . 1 1 5 5 PHE QD H . . . 1 1 3 3 LYS HB2 H . . . . . . . 8.50 . . . . . A . 3 LYS HB2 . . A . 5 PHE QD . . . 3 LYS QB . . . . . 5 PHE QD . . rr_1xy4 1
83 2 OR . 1 1 3 3 LYS HB3 H . . . 1 1 5 5 PHE QD H . . . . . . . 8.50 . . . . . A . 3 LYS HB3 . . A . 5 PHE QD . . . 3 LYS QB . . . . . 5 PHE QD . . rr_1xy4 1
84 1 OR . 1 1 5 5 PHE QE H . . . 1 1 3 3 LYS HB2 H . . . . . . . 8.03 . . . . . A . 3 LYS HB2 . . A . 5 PHE QE . . . 3 LYS QB . . . . . 5 PHE QE . . rr_1xy4 1
84 2 OR . 1 1 3 3 LYS HB3 H . . . 1 1 5 5 PHE QE H . . . . . . . 8.03 . . . . . A . 3 LYS HB3 . . A . 5 PHE QE . . . 3 LYS QB . . . . . 5 PHE QE . . rr_1xy4 1
85 1 OR . 1 1 9 9 PHE QD H . . . 1 1 3 3 LYS HB2 H . . . . . . . 8.50 . . . . . A . 3 LYS HB2 . . A . 9 PHE QD . . . 3 LYS QB . . . . . 9 PHE QD . . rr_1xy4 1
85 2 OR . 1 1 3 3 LYS HB3 H . . . 1 1 9 9 PHE QD H . . . . . . . 8.50 . . . . . A . 3 LYS HB3 . . A . 9 PHE QD . . . 3 LYS QB . . . . . 9 PHE QD . . rr_1xy4 1
86 1 OR . 1 1 9 9 PHE QE H . . . 1 1 3 3 LYS HB2 H . . . . . . . 8.50 . . . . . A . 3 LYS HB2 . . A . 9 PHE QE . . . 3 LYS QB . . . . . 9 PHE QE . . rr_1xy4 1
86 2 OR . 1 1 3 3 LYS HB3 H . . . 1 1 9 9 PHE QE H . . . . . . . 8.50 . . . . . A . 3 LYS HB3 . . A . 9 PHE QE . . . 3 LYS QB . . . . . 9 PHE QE . . rr_1xy4 1
87 1 OR . 1 1 5 5 PHE QE H . . . 1 1 3 3 LYS HD2 H . . . . . . . 8.50 . . . . . A . 3 LYS HD2 . . A . 5 PHE QE . . . 3 LYS QD . . . . . 5 PHE QE . . rr_1xy4 1
87 2 OR . 1 1 3 3 LYS HD3 H . . . 1 1 5 5 PHE QE H . . . . . . . 8.50 . . . . . A . 3 LYS HD3 . . A . 5 PHE QE . . . 3 LYS QD . . . . . 5 PHE QE . . rr_1xy4 1
88 1 OR . 1 1 5 5 PHE QE H . . . 1 1 3 3 LYS HG3 H . . . . . . . 8.50 . . . . . A . 3 LYS HG3 . . A . 5 PHE QE . . . 3 LYS QG . . . . . 5 PHE QE . . rr_1xy4 1
88 2 OR . 1 1 3 3 LYS HG2 H . . . 1 1 5 5 PHE QE H . . . . . . . 8.50 . . . . . A . 3 LYS HG2 . . A . 5 PHE QE . . . 3 LYS QG . . . . . 5 PHE QE . . rr_1xy4 1
89 1 OR . 1 1 9 9 PHE QD H . . . 1 1 3 3 LYS HG3 H . . . . . . . 8.50 . . . . . A . 3 LYS HG3 . . A . 9 PHE QD . . . 3 LYS QG . . . . . 9 PHE QD . . rr_1xy4 1
89 2 OR . 1 1 3 3 LYS HG2 H . . . 1 1 9 9 PHE QD H . . . . . . . 8.50 . . . . . A . 3 LYS HG2 . . A . 9 PHE QD . . . 3 LYS QG . . . . . 9 PHE QD . . rr_1xy4 1
90 1 OR . 1 1 9 9 PHE QE H . . . 1 1 3 3 LYS HG3 H . . . . . . . 8.50 . . . . . A . 3 LYS HG3 . . A . 9 PHE QE . . . 3 LYS QG . . . . . 9 PHE QE . . rr_1xy4 1
90 2 OR . 1 1 3 3 LYS HG2 H . . . 1 1 9 9 PHE QE H . . . . . . . 8.50 . . . . . A . 3 LYS HG2 . . A . 9 PHE QE . . . 3 LYS QG . . . . . 9 PHE QE . . rr_1xy4 1
91 1 OR . 1 1 5 5 PHE HA H . . . 1 1 11 11 SER HB2 H . . . . . . . 6.28 . . . . . A . 5 PHE HA . . A . 11 SER HB2 . . . 5 PHE HA . . . . . 11 SER QB . . rr_1xy4 1
91 2 OR . 1 1 11 11 SER HB3 H . . . 1 1 5 5 PHE HA H . . . . . . . 6.28 . . . . . A . 5 PHE HA . . A . 11 SER HB3 . . . 5 PHE HA . . . . . 11 SER QB . . rr_1xy4 1
92 1 . . 1 1 5 5 PHE HA H . . . 1 1 6 6 DTR HD1 H . . . . . . . 5.50 . . . . . A . 5 PHE HA . . A . 6 DTR HD1 . . . 5 PHE HA . . . . . 6 DTRP HD1 . . rr_1xy4 1
93 1 . . 1 1 8 8 THR MG H . . . 1 1 5 5 PHE HA H . . . . . . . 5.38 . . . . . A . 5 PHE HA . . A . 8 THR MG . . . 5 PHE HA . . . . . 8 THR QG2 . . rr_1xy4 1
94 1 . . 1 1 9 9 PHE H H . . . 1 1 5 5 PHE HB2 H . . . . . . . 5.50 . . . . . A . 5 PHE HB2 . . A . 9 PHE H . . . 5 PHE HB2 . . . . . 9 PHE HN . . rr_1xy4 1
95 1 . . 1 1 9 9 PHE QD H . . . 1 1 5 5 PHE HB2 H . . . . . . . 7.62 . . . . . A . 5 PHE HB2 . . A . 9 PHE QD . . . 5 PHE HB2 . . . . . 9 PHE QD . . rr_1xy4 1
96 1 . . 1 1 9 9 PHE QE H . . . 1 1 5 5 PHE HB2 H . . . . . . . 7.62 . . . . . A . 5 PHE HB2 . . A . 9 PHE QE . . . 5 PHE HB2 . . . . . 9 PHE QE . . rr_1xy4 1
97 1 . . 1 1 9 9 PHE H H . . . 1 1 5 5 PHE HB3 H . . . . . . . 5.50 . . . . . A . 5 PHE HB3 . . A . 9 PHE H . . . 5 PHE HB3 . . . . . 9 PHE HN . . rr_1xy4 1
98 1 . . 1 1 9 9 PHE QD H . . . 1 1 5 5 PHE HB3 H . . . . . . . 7.62 . . . . . A . 5 PHE HB3 . . A . 9 PHE QD . . . 5 PHE HB3 . . . . . 9 PHE QD . . rr_1xy4 1
99 1 . . 1 1 9 9 PHE QE H . . . 1 1 5 5 PHE HB3 H . . . . . . . 7.62 . . . . . A . 5 PHE HB3 . . A . 9 PHE QE . . . 5 PHE HB3 . . . . . 9 PHE QE . . rr_1xy4 1
100 1 . . 1 1 5 5 PHE H H . . . 1 1 5 5 PHE HB2 H . . . . . . . 4.14 . . . . . A . 5 PHE H . . A . 5 PHE HB2 . . . 5 PHE HN . . . . . 5 PHE HB2 . . rr_1xy4 1
101 1 . . 1 1 5 5 PHE H H . . . 1 1 5 5 PHE HB3 H . . . . . . . 4.14 . . . . . A . 5 PHE H . . A . 5 PHE HB3 . . . 5 PHE HN . . . . . 5 PHE HB3 . . rr_1xy4 1
102 1 OR . 1 1 5 5 PHE H H . . . 1 1 5 5 PHE HB3 H . . . . . . . 3.61 . . . . . A . 5 PHE H . . A . 5 PHE HB3 . . . 5 PHE HN . . . . . 5 PHE QB . . rr_1xy4 1
102 2 OR . 1 1 5 5 PHE H H . . . 1 1 5 5 PHE HB2 H . . . . . . . 3.61 . . . . . A . 5 PHE H . . A . 5 PHE HB2 . . . 5 PHE HN . . . . . 5 PHE QB . . rr_1xy4 1
103 1 . . 1 1 8 8 THR MG H . . . 1 1 5 5 PHE HZ H . . . . . . . 6.53 . . . . . A . 5 PHE HZ . . A . 8 THR MG . . . 5 PHE HZ . . . . . 8 THR QG2 . . rr_1xy4 1
104 1 OR . 1 1 6 6 DTR HA H . . . 1 1 5 5 PHE HB3 H . . . . . . . 4.45 . . . . . A . 5 PHE HB3 . . A . 6 DTR HA . . . 5 PHE QB . . . . . 6 DTRP HA . . rr_1xy4 1
104 2 OR . 1 1 5 5 PHE HB2 H . . . 1 1 6 6 DTR HA H . . . . . . . 4.45 . . . . . A . 5 PHE HB2 . . A . 6 DTR HA . . . 5 PHE QB . . . . . 6 DTRP HA . . rr_1xy4 1
105 1 OR . 1 1 9 9 PHE H H . . . 1 1 5 5 PHE HB3 H . . . . . . . 4.99 . . . . . A . 5 PHE HB3 . . A . 9 PHE H . . . 5 PHE QB . . . . . 9 PHE HN . . rr_1xy4 1
105 2 OR . 1 1 9 9 PHE H H . . . 1 1 5 5 PHE HB2 H . . . . . . . 4.99 . . . . . A . 5 PHE HB2 . . A . 9 PHE H . . . 5 PHE QB . . . . . 9 PHE HN . . rr_1xy4 1
106 1 OR . 1 1 5 5 PHE QD H . . . 1 1 11 11 SER HB2 H . . . . . . . 8.50 . . . . . A . 5 PHE QD . . A . 11 SER HB2 . . . 5 PHE QD . . . . . 11 SER QB . . rr_1xy4 1
106 2 OR . 1 1 11 11 SER HB3 H . . . 1 1 5 5 PHE QD H . . . . . . . 8.50 . . . . . A . 5 PHE QD . . A . 11 SER HB3 . . . 5 PHE QD . . . . . 11 SER QB . . rr_1xy4 1
107 1 . . 1 1 5 5 PHE QD H . . . 1 1 8 8 THR MG H . . . . . . . 8.65 . . . . . A . 5 PHE QD . . A . 8 THR MG . . . 5 PHE QD . . . . . 8 THR QG2 . . rr_1xy4 1
108 1 OR . 1 1 5 5 PHE QD H . . . 1 1 9 9 PHE HB3 H . . . . . . . 8.50 . . . . . A . 5 PHE QD . . A . 9 PHE HB3 . . . 5 PHE QD . . . . . 9 PHE QB . . rr_1xy4 1
108 2 OR . 1 1 5 5 PHE QD H . . . 1 1 9 9 PHE HB2 H . . . . . . . 8.50 . . . . . A . 5 PHE QD . . A . 9 PHE HB2 . . . 5 PHE QD . . . . . 9 PHE QB . . rr_1xy4 1
109 1 OR . 1 1 5 5 PHE QE H . . . 1 1 11 11 SER HB2 H . . . . . . . 8.50 . . . . . A . 5 PHE QE . . A . 11 SER HB2 . . . 5 PHE QE . . . . . 11 SER QB . . rr_1xy4 1
109 2 OR . 1 1 11 11 SER HB3 H . . . 1 1 5 5 PHE QE H . . . . . . . 8.50 . . . . . A . 5 PHE QE . . A . 11 SER HB3 . . . 5 PHE QE . . . . . 11 SER QB . . rr_1xy4 1
110 1 . . 1 1 5 5 PHE QE H . . . 1 1 8 8 THR MG H . . . . . . . 8.65 . . . . . A . 5 PHE QE . . A . 8 THR MG . . . 5 PHE QE . . . . . 8 THR QG2 . . rr_1xy4 1
111 1 . . 1 1 6 6 DTR HD1 H . . . 1 1 6 6 DTR HA H . . . . . . . 4.45 . . . . . A . 6 DTR HA . . A . 6 DTR HD1 . . . 6 DTRP HA . . . . . 6 DTRP HD1 . . rr_1xy4 1
112 1 . . 1 1 6 6 DTR HA H . . . 1 1 6 6 DTR HE3 H . . . . . . . 5.38 . . . . . A . 6 DTR HA . . A . 6 DTR HE3 . . . 6 DTRP HA . . . . . 6 DTRP HE3 . . rr_1xy4 1
113 1 . . 1 1 8 8 THR H H . . . 1 1 6 6 DTR HA H . . . . . . . 4.63 . . . . . A . 6 DTR HA . . A . 8 THR H . . . 6 DTRP HA . . . . . 8 THR HN . . rr_1xy4 1
114 1 . . 1 1 8 8 THR MG H . . . 1 1 6 6 DTR HA H . . . . . . . 6.00 . . . . . A . 6 DTR HA . . A . 8 THR MG . . . 6 DTRP HA . . . . . 8 THR QG2 . . rr_1xy4 1
115 1 . . 1 1 8 8 THR H H . . . 1 1 7 7 IAM HA H . . . . . . . 3.11 . . . . . A . 7 IAM HA . . A . 8 THR H . . . 7 IAMP HA . . . . . 8 THR HN . . rr_1xy4 1
116 1 . . 1 1 8 8 THR MG H . . . 1 1 7 7 IAM HA H . . . . . . . 5.23 . . . . . A . 7 IAM HA . . A . 8 THR MG . . . 7 IAMP HA . . . . . 8 THR QG2 . . rr_1xy4 1
117 1 . . 1 1 8 8 THR HA H . . . 1 1 8 8 THR HB H . . . . . . . 2.90 . . . . . A . 8 THR HA . . A . 8 THR HB . . . 8 THR HA . . . . . 8 THR HB . . rr_1xy4 1
118 1 . . 1 1 8 8 THR MG H . . . 1 1 8 8 THR HA H . . . . . . . 3.43 . . . . . A . 8 THR HA . . A . 8 THR MG . . . 8 THR HA . . . . . 8 THR QG2 . . rr_1xy4 1
119 1 . . 1 1 9 9 PHE H H . . . 1 1 8 8 THR HA H . . . . . . . 3.11 . . . . . A . 8 THR HA . . A . 9 PHE H . . . 8 THR HA . . . . . 9 PHE HN . . rr_1xy4 1
120 1 OR . 1 1 8 8 THR HA H . . . 1 1 9 9 PHE HB3 H . . . . . . . 5.51 . . . . . A . 8 THR HA . . A . 9 PHE HB3 . . . 8 THR HA . . . . . 9 PHE QB . . rr_1xy4 1
120 2 OR . 1 1 9 9 PHE HB2 H . . . 1 1 8 8 THR HA H . . . . . . . 5.51 . . . . . A . 8 THR HA . . A . 9 PHE HB2 . . . 8 THR HA . . . . . 9 PHE QB . . rr_1xy4 1
121 1 . . 1 1 9 9 PHE QD H . . . 1 1 8 8 THR HA H . . . . . . . 7.62 . . . . . A . 8 THR HA . . A . 9 PHE QD . . . 8 THR HA . . . . . 9 PHE QD . . rr_1xy4 1
122 1 . . 1 1 9 9 PHE H H . . . 1 1 8 8 THR HB H . . . . . . . 3.33 . . . . . A . 8 THR HB . . A . 9 PHE H . . . 8 THR HB . . . . . 9 PHE HN . . rr_1xy4 1
123 1 . . 1 1 9 9 PHE QD H . . . 1 1 8 8 THR HB H . . . . . . . 7.62 . . . . . A . 8 THR HB . . A . 9 PHE QD . . . 8 THR HB . . . . . 9 PHE QD . . rr_1xy4 1
124 1 OR . 1 1 8 8 THR H H . . . 1 1 10 10 LYS HD2 H . . . . . . . 5.14 . . . . . A . 8 THR H . . A . 10 LYS HD2 . . . 8 THR HN . . . . . 10 KBR QD . . rr_1xy4 1
124 2 OR . 1 1 10 10 LYS HD3 H . . . 1 1 8 8 THR H H . . . . . . . 5.14 . . . . . A . 8 THR H . . A . 10 LYS HD3 . . . 8 THR HN . . . . . 10 KBR QD . . rr_1xy4 1
125 1 OR . 1 1 8 8 THR H H . . . 1 1 10 10 LYS HG2 H . . . . . . . 5.07 . . . . . A . 8 THR H . . A . 10 LYS HG2 . . . 8 THR HN . . . . . 10 KBR QG . . rr_1xy4 1
125 2 OR . 1 1 10 10 LYS HG3 H . . . 1 1 8 8 THR H H . . . . . . . 5.07 . . . . . A . 8 THR H . . A . 10 LYS HG3 . . . 8 THR HN . . . . . 10 KBR QG . . rr_1xy4 1
126 1 . . 1 1 8 8 THR H H . . . 1 1 8 8 THR HB H . . . . . . . 3.11 . . . . . A . 8 THR H . . A . 8 THR HB . . . 8 THR HN . . . . . 8 THR HB . . rr_1xy4 1
127 1 . . 1 1 8 8 THR MG H . . . 1 1 8 8 THR H H . . . . . . . 3.49 . . . . . A . 8 THR H . . A . 8 THR MG . . . 8 THR HN . . . . . 8 THR QG2 . . rr_1xy4 1
128 1 . . 1 1 10 10 LYS HA H . . . 1 1 8 8 THR MG H . . . . . . . 6.37 . . . . . A . 8 THR MG . . A . 10 LYS HA . . . 8 THR QG2 . . . . . 10 KBR HA . . rr_1xy4 1
129 1 . . 1 1 10 10 LYS H H . . . 1 1 8 8 THR MG H . . . . . . . 5.38 . . . . . A . 8 THR MG . . A . 10 LYS H . . . 8 THR QG2 . . . . . 10 KBR HN . . rr_1xy4 1
130 1 . . 1 1 11 11 SER H H . . . 1 1 8 8 THR MG H . . . . . . . 6.53 . . . . . A . 8 THR MG . . A . 11 SER H . . . 8 THR QG2 . . . . . 11 SER HN . . rr_1xy4 1
131 1 . . 1 1 8 8 THR MG H . . . 1 1 9 9 PHE HA H . . . . . . . 5.54 . . . . . A . 8 THR MG . . A . 9 PHE HA . . . 8 THR QG2 . . . . . 9 PHE HA . . rr_1xy4 1
132 1 OR . 1 1 8 8 THR MG H . . . 1 1 9 9 PHE HB3 H . . . . . . . 5.64 . . . . . A . 8 THR MG . . A . 9 PHE HB3 . . . 8 THR QG2 . . . . . 9 PHE QB . . rr_1xy4 1
132 2 OR . 1 1 8 8 THR MG H . . . 1 1 9 9 PHE HB2 H . . . . . . . 5.64 . . . . . A . 8 THR MG . . A . 9 PHE HB2 . . . 8 THR QG2 . . . . . 9 PHE QB . . rr_1xy4 1
133 1 . . 1 1 9 9 PHE QD H . . . 1 1 8 8 THR MG H . . . . . . . 7.41 . . . . . A . 8 THR MG . . A . 9 PHE QD . . . 8 THR QG2 . . . . . 9 PHE QD . . rr_1xy4 1
134 1 . . 1 1 9 9 PHE QE H . . . 1 1 8 8 THR MG H . . . . . . . 8.62 . . . . . A . 8 THR MG . . A . 9 PHE QE . . . 8 THR QG2 . . . . . 9 PHE QE . . rr_1xy4 1
135 1 . . 1 1 10 10 LYS H H . . . 1 1 9 9 PHE HA H . . . . . . . 2.74 . . . . . A . 9 PHE HA . . A . 10 LYS H . . . 9 PHE HA . . . . . 10 KBR HN . . rr_1xy4 1
136 1 OR . 1 1 9 9 PHE HA H . . . 1 1 9 9 PHE HB3 H . . . . . . . 2.65 . . . . . A . 9 PHE HA . . A . 9 PHE HB3 . . . 9 PHE HA . . . . . 9 PHE QB . . rr_1xy4 1
136 2 OR . 1 1 9 9 PHE HB2 H . . . 1 1 9 9 PHE HA H . . . . . . . 2.65 . . . . . A . 9 PHE HA . . A . 9 PHE HB2 . . . 9 PHE HA . . . . . 9 PHE QB . . rr_1xy4 1
137 1 . . 1 1 10 10 LYS H H . . . 1 1 9 9 PHE HB2 H . . . . . . . 3.70 . . . . . A . 9 PHE HB2 . . A . 10 LYS H . . . 9 PHE HB2 . . . . . 10 KBR HN . . rr_1xy4 1
138 1 . . 1 1 10 10 LYS H H . . . 1 1 9 9 PHE HB3 H . . . . . . . 3.70 . . . . . A . 9 PHE HB3 . . A . 10 LYS H . . . 9 PHE HB3 . . . . . 10 KBR HN . . rr_1xy4 1
139 1 . . 1 1 10 10 LYS H H . . . 1 1 9 9 PHE H H . . . . . . . 5.50 . . . . . A . 9 PHE H . . A . 10 LYS H . . . 9 PHE HN . . . . . 10 KBR HN . . rr_1xy4 1
140 1 . . 1 1 9 9 PHE H H . . . 1 1 9 9 PHE HA H . . . . . . . 2.93 . . . . . A . 9 PHE H . . A . 9 PHE HA . . . 9 PHE HN . . . . . 9 PHE HA . . rr_1xy4 1
141 1 . . 1 1 9 9 PHE H H . . . 1 1 9 9 PHE HB2 H . . . . . . . 3.48 . . . . . A . 9 PHE H . . A . 9 PHE HB2 . . . 9 PHE HN . . . . . 9 PHE HB2 . . rr_1xy4 1
142 1 . . 1 1 9 9 PHE H H . . . 1 1 9 9 PHE HB3 H . . . . . . . 3.48 . . . . . A . 9 PHE H . . A . 9 PHE HB3 . . . 9 PHE HN . . . . . 9 PHE HB3 . . rr_1xy4 1
143 1 OR . 1 1 9 9 PHE H H . . . 1 1 9 9 PHE HB3 H . . . . . . . 3.17 . . . . . A . 9 PHE H . . A . 9 PHE HB3 . . . 9 PHE HN . . . . . 9 PHE QB . . rr_1xy4 1
143 2 OR . 1 1 9 9 PHE H H . . . 1 1 9 9 PHE HB2 H . . . . . . . 3.17 . . . . . A . 9 PHE H . . A . 9 PHE HB2 . . . 9 PHE HN . . . . . 9 PHE QB . . rr_1xy4 1
144 1 OR . 1 1 10 10 LYS HA H . . . 1 1 9 9 PHE HB3 H . . . . . . . 5.04 . . . . . A . 9 PHE HB3 . . A . 10 LYS HA . . . 9 PHE QB . . . . . 10 KBR HA . . rr_1xy4 1
144 2 OR . 1 1 10 10 LYS HA H . . . 1 1 9 9 PHE HB2 H . . . . . . . 5.04 . . . . . A . 9 PHE HB2 . . A . 10 LYS HA . . . 9 PHE QB . . . . . 10 KBR HA . . rr_1xy4 1
145 1 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 PHE HB3 H . . . . . . . 3.28 . . . . . A . 9 PHE HB3 . . A . 10 LYS H . . . 9 PHE QB . . . . . 10 KBR HN . . rr_1xy4 1
145 2 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 PHE HB2 H . . . . . . . 3.28 . . . . . A . 9 PHE HB2 . . A . 10 LYS H . . . 9 PHE QB . . . . . 10 KBR HN . . rr_1xy4 1
146 1 OR . 1 1 9 9 PHE QD H . . . 1 1 11 11 SER HB2 H . . . . . . . 8.50 . . . . . A . 9 PHE QD . . A . 11 SER HB2 . . . 9 PHE QD . . . . . 11 SER QB . . rr_1xy4 1
146 2 OR . 1 1 11 11 SER HB3 H . . . 1 1 9 9 PHE QD H . . . . . . . 8.50 . . . . . A . 9 PHE QD . . A . 11 SER HB3 . . . 9 PHE QD . . . . . 11 SER QB . . rr_1xy4 1
147 1 OR . 1 1 9 9 PHE QE H . . . 1 1 11 11 SER HB2 H . . . . . . . 8.50 . . . . . A . 9 PHE QE . . A . 11 SER HB2 . . . 9 PHE QE . . . . . 11 SER QB . . rr_1xy4 1
147 2 OR . 1 1 11 11 SER HB3 H . . . 1 1 9 9 PHE QE H . . . . . . . 8.50 . . . . . A . 9 PHE QE . . A . 11 SER HB3 . . . 9 PHE QE . . . . . 11 SER QB . . rr_1xy4 1
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" rr_1xy4 1
2 2 82 1 "Not handling restraint 82, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" rr_1xy4 1
3 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .4.QB' (nmrStar names) not linked" rr_1xy4 1
4 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" rr_1xy4 1
5 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" rr_1xy4 1
6 2 91 1 "Not handling restraint 91, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" rr_1xy4 1
7 2 91 1 "Not handling restraint 91, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" rr_1xy4 1
8 2 93 1 "Not handling restraint 93, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" rr_1xy4 1
9 2 93 1 "Not handling restraint 93, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" rr_1xy4 1
10 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
11 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
12 2 99 1 "Not handling restraint 99, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
13 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
14 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
15 2 101 1 "Not handling restraint 101, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
16 2 101 1 "Not handling restraint 101, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
17 2 102 1 "Not handling restraint 102, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
18 2 102 1 "Not handling restraint 102, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
19 2 103 1 "Not handling restraint 103, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
20 2 104 1 "Not handling restraint 104, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
21 2 104 1 "Not handling restraint 104, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
22 2 105 1 "Not handling restraint 105, item 1, resonance(s) ' .4.QB' (nmrStar names),' .4.HA' (nmrStar names) not linked" rr_1xy4 1
23 2 106 1 "Not handling restraint 106, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.QG' (nmrStar names) not linked" rr_1xy4 1
24 2 107 1 "Not handling restraint 107, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
25 2 108 1 "Not handling restraint 108, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
26 2 109 1 "Not handling restraint 109, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
27 2 110 1 "Not handling restraint 110, item 1, resonance(s) ' .4.HB2' (nmrStar names) not linked" rr_1xy4 1
28 2 111 1 "Not handling restraint 111, item 1, resonance(s) ' .4.HB2' (nmrStar names) not linked" rr_1xy4 1
29 2 112 1 "Not handling restraint 112, item 1, resonance(s) ' .4.HB2' (nmrStar names),' .7.QD' (nmrStar names) not linked" rr_1xy4 1
30 2 113 1 "Not handling restraint 113, item 1, resonance(s) ' .4.HB2' (nmrStar names),' .7.QE' (nmrStar names) not linked" rr_1xy4 1
31 2 114 1 "Not handling restraint 114, item 1, resonance(s) ' .4.HB2' (nmrStar names) not linked" rr_1xy4 1
32 2 115 1 "Not handling restraint 115, item 1, resonance(s) ' .4.HB3' (nmrStar names) not linked" rr_1xy4 1
33 2 116 1 "Not handling restraint 116, item 1, resonance(s) ' .4.HB3' (nmrStar names) not linked" rr_1xy4 1
34 2 117 1 "Not handling restraint 117, item 1, resonance(s) ' .7.QD' (nmrStar names),' .4.HB3' (nmrStar names) not linked" rr_1xy4 1
35 2 118 1 "Not handling restraint 118, item 1, resonance(s) ' .7.QE' (nmrStar names),' .4.HB3' (nmrStar names) not linked" rr_1xy4 1
36 2 119 1 "Not handling restraint 119, item 1, resonance(s) ' .4.HB3' (nmrStar names) not linked" rr_1xy4 1
37 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HB2' (nmrStar names) not linked" rr_1xy4 1
38 2 121 1 "Not handling restraint 121, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HB3' (nmrStar names) not linked" rr_1xy4 1
39 2 122 1 "Not handling restraint 122, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.QB' (nmrStar names) not linked" rr_1xy4 1
40 2 123 1 "Not handling restraint 123, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.QG' (nmrStar names) not linked" rr_1xy4 1
41 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" rr_1xy4 1
42 2 125 1 "Not handling restraint 125, item 1, resonance(s) ' .4.QB' (nmrStar names) not linked" rr_1xy4 1
43 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .4.QB' (nmrStar names) not linked" rr_1xy4 1
44 2 127 1 "Not handling restraint 127, item 1, resonance(s) ' .4.QB' (nmrStar names) not linked" rr_1xy4 1
45 2 128 1 "Not handling restraint 128, item 1, resonance(s) ' .4.QG' (nmrStar names) not linked" rr_1xy4 1
46 2 129 1 "Not handling restraint 129, item 1, resonance(s) ' .4.QG' (nmrStar names) not linked" rr_1xy4 1
47 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .4.QG' (nmrStar names),' .7.QE' (nmrStar names) not linked" rr_1xy4 1
48 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .4.QG' (nmrStar names) not linked" rr_1xy4 1
49 2 134 1 "Not handling restraint 134, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
50 2 136 1 "Not handling restraint 136, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
51 2 140 1 "Not handling restraint 140, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
52 2 149 1 "Not handling restraint 149, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
53 2 149 1 "Not handling restraint 149, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
54 2 152 1 "Not handling restraint 152, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
55 2 159 1 "Not handling restraint 159, item 1, resonance(s) ' .6.QB' (nmrStar names) not linked" rr_1xy4 1
56 2 160 1 "Not handling restraint 160, item 1, resonance(s) ' .7.QD' (nmrStar names) not linked" rr_1xy4 1
57 2 163 1 "Not handling restraint 163, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_1xy4 1
58 2 164 1 "Not handling restraint 164, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_1xy4 1
59 2 165 1 "Not handling restraint 165, item 1, resonance(s) ' .7.QK' (nmrStar names) not linked" rr_1xy4 1
60 2 166 1 "Not handling restraint 166, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_1xy4 1
61 2 167 1 "Not handling restraint 167, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
62 2 168 1 "Not handling restraint 168, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
63 2 169 1 "Not handling restraint 169, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
64 2 170 1 "Not handling restraint 170, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
65 2 171 1 "Not handling restraint 171, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.QB' (nmrStar names) not linked" rr_1xy4 1
66 2 172 1 "Not handling restraint 172, item 1, resonance(s) ' .6.HN' (nmrStar names),' .7.HN' (nmrStar names) not linked" rr_1xy4 1
67 2 173 1 "Not handling restraint 173, item 1, resonance(s) ' .6.QB' (nmrStar names) not linked" rr_1xy4 1
68 2 174 1 "Not handling restraint 174, item 1, resonance(s) ' .6.QB' (nmrStar names),' .7.HN' (nmrStar names) not linked" rr_1xy4 1
69 2 175 1 "Not handling restraint 175, item 1, resonance(s) ' .7.QD' (nmrStar names),' .6.QB' (nmrStar names) not linked" rr_1xy4 1
70 2 176 1 "Not handling restraint 176, item 1, resonance(s) ' .7.QE' (nmrStar names),' .6.QB' (nmrStar names) not linked" rr_1xy4 1
71 2 177 1 "Not handling restraint 177, item 1, resonance(s) ' .7.HB2' (nmrStar names) not linked" rr_1xy4 1
72 2 178 1 "Not handling restraint 178, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_1xy4 1
73 2 181 1 "Not handling restraint 181, item 1, resonance(s) ' .7.HB2' (nmrStar names) not linked" rr_1xy4 1
74 2 182 1 "Not handling restraint 182, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_1xy4 1
75 2 183 1 "Not handling restraint 183, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_1xy4 1
76 2 184 1 "Not handling restraint 184, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.HB2' (nmrStar names) not linked" rr_1xy4 1
77 2 185 1 "Not handling restraint 185, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.HB3' (nmrStar names) not linked" rr_1xy4 1
78 2 186 1 "Not handling restraint 186, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.QB' (nmrStar names) not linked" rr_1xy4 1
79 2 187 1 "Not handling restraint 187, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_1xy4 1
80 2 188 1 "Not handling restraint 188, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_1xy4 1
81 2 189 1 "Not handling restraint 189, item 1, resonance(s) ' .7.QD' (nmrStar names) not linked" rr_1xy4 1
82 2 189 1 "Not handling restraint 189, item 1, resonance(s) ' .7.QD' (nmrStar names) not linked" rr_1xy4 1
83 2 190 1 "Not handling restraint 190, item 1, resonance(s) ' .7.QD' (nmrStar names),' .7.QK' (nmrStar names) not linked" rr_1xy4 1
84 2 191 1 "Not handling restraint 191, item 1, resonance(s) ' .7.QD' (nmrStar names) not linked" rr_1xy4 1
85 2 192 1 "Not handling restraint 192, item 1, resonance(s) ' .7.QE' (nmrStar names) not linked" rr_1xy4 1
86 2 192 1 "Not handling restraint 192, item 1, resonance(s) ' .7.QE' (nmrStar names) not linked" rr_1xy4 1
87 2 193 1 "Not handling restraint 193, item 1, resonance(s) ' .7.QE' (nmrStar names) not linked" rr_1xy4 1
88 2 194 1 "Not handling restraint 194, item 1, resonance(s) ' .7.QE' (nmrStar names),' .7.QK' (nmrStar names) not linked" rr_1xy4 1
89 2 195 1 "Not handling restraint 195, item 1, resonance(s) ' .7.QE' (nmrStar names) not linked" rr_1xy4 1
90 2 196 1 "Not handling restraint 196, item 1, resonance(s) ' .7.QK' (nmrStar names) not linked" rr_1xy4 1
91 2 197 1 "Not handling restraint 197, item 1, resonance(s) ' .7.QK' (nmrStar names) not linked" rr_1xy4 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_1xy4
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1xy4 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 2 . OR rr_1xy4 1
1 2 . 3 . rr_1xy4 1
1 3 . . . rr_1xy4 1
2 1 2 . OR rr_1xy4 1
2 2 . 3 . rr_1xy4 1
2 3 . . . rr_1xy4 1
3 1 . . . rr_1xy4 1
4 1 2 . OR rr_1xy4 1
4 2 . 3 . rr_1xy4 1
4 3 . . . rr_1xy4 1
5 1 . . . rr_1xy4 1
6 1 . . . rr_1xy4 1
7 1 . . . rr_1xy4 1
8 1 . . . rr_1xy4 1
9 1 . . . rr_1xy4 1
10 1 . . . rr_1xy4 1
11 1 . . . rr_1xy4 1
12 1 . . . rr_1xy4 1
13 1 . . . rr_1xy4 1
14 1 . . . rr_1xy4 1
15 1 2 . OR rr_1xy4 1
15 2 . 3 . rr_1xy4 1
15 3 . . . rr_1xy4 1
16 1 2 . OR rr_1xy4 1
16 2 . 3 . rr_1xy4 1
16 3 . . . rr_1xy4 1
17 1 2 . OR rr_1xy4 1
17 2 . 3 . rr_1xy4 1
17 3 . . . rr_1xy4 1
18 1 2 . OR rr_1xy4 1
18 2 . 3 . rr_1xy4 1
18 3 . . . rr_1xy4 1
19 1 2 . OR rr_1xy4 1
19 2 . 3 . rr_1xy4 1
19 3 . 4 . rr_1xy4 1
19 4 . 5 . rr_1xy4 1
19 5 . . . rr_1xy4 1
20 1 2 . OR rr_1xy4 1
20 2 . 3 . rr_1xy4 1
20 3 . . . rr_1xy4 1
21 1 2 . OR rr_1xy4 1
21 2 . 3 . rr_1xy4 1
21 3 . . . rr_1xy4 1
22 1 2 . OR rr_1xy4 1
22 2 . 3 . rr_1xy4 1
22 3 . . . rr_1xy4 1
23 1 2 . OR rr_1xy4 1
23 2 . 3 . rr_1xy4 1
23 3 . . . rr_1xy4 1
24 1 2 . OR rr_1xy4 1
24 2 . 3 . rr_1xy4 1
24 3 . . . rr_1xy4 1
25 1 2 . OR rr_1xy4 1
25 2 . 3 . rr_1xy4 1
25 3 . . . rr_1xy4 1
26 1 2 . OR rr_1xy4 1
26 2 . 3 . rr_1xy4 1
26 3 . . . rr_1xy4 1
27 1 2 . OR rr_1xy4 1
27 2 . 3 . rr_1xy4 1
27 3 . . . rr_1xy4 1
28 1 . . . rr_1xy4 1
29 1 . . . rr_1xy4 1
30 1 . . . rr_1xy4 1
31 1 2 . OR rr_1xy4 1
31 2 . 3 . rr_1xy4 1
31 3 . . . rr_1xy4 1
32 1 . . . rr_1xy4 1
33 1 . . . rr_1xy4 1
34 1 . . . rr_1xy4 1
35 1 2 . OR rr_1xy4 1
35 2 . 3 . rr_1xy4 1
35 3 . . . rr_1xy4 1
36 1 2 . OR rr_1xy4 1
36 2 . 3 . rr_1xy4 1
36 3 . . . rr_1xy4 1
37 1 . . . rr_1xy4 1
38 1 . . . rr_1xy4 1
39 1 2 . OR rr_1xy4 1
39 2 . 3 . rr_1xy4 1
39 3 . . . rr_1xy4 1
40 1 2 . OR rr_1xy4 1
40 2 . 3 . rr_1xy4 1
40 3 . . . rr_1xy4 1
41 1 . . . rr_1xy4 1
42 1 . . . rr_1xy4 1
43 1 . . . rr_1xy4 1
44 1 2 . OR rr_1xy4 1
44 2 . 3 . rr_1xy4 1
44 3 . . . rr_1xy4 1
45 1 2 . OR rr_1xy4 1
45 2 . 3 . rr_1xy4 1
45 3 . . . rr_1xy4 1
46 1 2 . OR rr_1xy4 1
46 2 . 3 . rr_1xy4 1
46 3 . . . rr_1xy4 1
47 1 . . . rr_1xy4 1
48 1 2 . OR rr_1xy4 1
48 2 . 3 . rr_1xy4 1
48 3 . . . rr_1xy4 1
49 1 . . . rr_1xy4 1
50 1 . . . rr_1xy4 1
51 1 . . . rr_1xy4 1
52 1 . . . rr_1xy4 1
53 1 2 . OR rr_1xy4 1
53 2 . 3 . rr_1xy4 1
53 3 . . . rr_1xy4 1
54 1 2 . OR rr_1xy4 1
54 2 . 3 . rr_1xy4 1
54 3 . . . rr_1xy4 1
55 1 . . . rr_1xy4 1
56 1 . . . rr_1xy4 1
57 1 . . . rr_1xy4 1
58 1 . . . rr_1xy4 1
59 1 . . . rr_1xy4 1
60 1 . . . rr_1xy4 1
61 1 . . . rr_1xy4 1
62 1 . . . rr_1xy4 1
63 1 2 . OR rr_1xy4 1
63 2 . 3 . rr_1xy4 1
63 3 . . . rr_1xy4 1
64 1 . . . rr_1xy4 1
65 1 2 . OR rr_1xy4 1
65 2 . 3 . rr_1xy4 1
65 3 . . . rr_1xy4 1
66 1 2 . OR rr_1xy4 1
66 2 . 3 . rr_1xy4 1
66 3 . . . rr_1xy4 1
67 1 2 . OR rr_1xy4 1
67 2 . 3 . rr_1xy4 1
67 3 . . . rr_1xy4 1
68 1 2 . OR rr_1xy4 1
68 2 . 3 . rr_1xy4 1
68 3 . . . rr_1xy4 1
69 1 . . . rr_1xy4 1
70 1 . . . rr_1xy4 1
71 1 2 . OR rr_1xy4 1
71 2 . 3 . rr_1xy4 1
71 3 . . . rr_1xy4 1
72 1 2 . OR rr_1xy4 1
72 2 . 3 . rr_1xy4 1
72 3 . . . rr_1xy4 1
73 1 2 . OR rr_1xy4 1
73 2 . 3 . rr_1xy4 1
73 3 . . . rr_1xy4 1
74 1 . . . rr_1xy4 1
75 1 2 . OR rr_1xy4 1
75 2 . 3 . rr_1xy4 1
75 3 . . . rr_1xy4 1
76 1 . . . rr_1xy4 1
77 1 . . . rr_1xy4 1
78 1 . . . rr_1xy4 1
79 1 2 . OR rr_1xy4 1
79 2 . 3 . rr_1xy4 1
79 3 . . . rr_1xy4 1
80 1 2 . OR rr_1xy4 1
80 2 . 3 . rr_1xy4 1
80 3 . . . rr_1xy4 1
81 1 2 . OR rr_1xy4 1
81 2 . 3 . rr_1xy4 1
81 3 . . . rr_1xy4 1
82 1 2 . OR rr_1xy4 1
82 2 . 3 . rr_1xy4 1
82 3 . 4 . rr_1xy4 1
82 4 . 5 . rr_1xy4 1
82 5 . . . rr_1xy4 1
83 1 2 . OR rr_1xy4 1
83 2 . 3 . rr_1xy4 1
83 3 . . . rr_1xy4 1
84 1 2 . OR rr_1xy4 1
84 2 . 3 . rr_1xy4 1
84 3 . . . rr_1xy4 1
85 1 2 . OR rr_1xy4 1
85 2 . 3 . rr_1xy4 1
85 3 . . . rr_1xy4 1
86 1 2 . OR rr_1xy4 1
86 2 . 3 . rr_1xy4 1
86 3 . . . rr_1xy4 1
87 1 2 . OR rr_1xy4 1
87 2 . 3 . rr_1xy4 1
87 3 . . . rr_1xy4 1
88 1 2 . OR rr_1xy4 1
88 2 . 3 . rr_1xy4 1
88 3 . . . rr_1xy4 1
89 1 2 . OR rr_1xy4 1
89 2 . 3 . rr_1xy4 1
89 3 . . . rr_1xy4 1
90 1 2 . OR rr_1xy4 1
90 2 . 3 . rr_1xy4 1
90 3 . . . rr_1xy4 1
91 1 2 . OR rr_1xy4 1
91 2 . 3 . rr_1xy4 1
91 3 . . . rr_1xy4 1
92 1 . . . rr_1xy4 1
93 1 . . . rr_1xy4 1
94 1 . . . rr_1xy4 1
95 1 . . . rr_1xy4 1
96 1 . . . rr_1xy4 1
97 1 . . . rr_1xy4 1
98 1 . . . rr_1xy4 1
99 1 . . . rr_1xy4 1
100 1 . . . rr_1xy4 1
101 1 . . . rr_1xy4 1
102 1 2 . OR rr_1xy4 1
102 2 . 3 . rr_1xy4 1
102 3 . . . rr_1xy4 1
103 1 . . . rr_1xy4 1
104 1 2 . OR rr_1xy4 1
104 2 . 3 . rr_1xy4 1
104 3 . . . rr_1xy4 1
105 1 2 . OR rr_1xy4 1
105 2 . 3 . rr_1xy4 1
105 3 . . . rr_1xy4 1
106 1 2 . OR rr_1xy4 1
106 2 . 3 . rr_1xy4 1
106 3 . . . rr_1xy4 1
107 1 . . . rr_1xy4 1
108 1 2 . OR rr_1xy4 1
108 2 . 3 . rr_1xy4 1
108 3 . . . rr_1xy4 1
109 1 2 . OR rr_1xy4 1
109 2 . 3 . rr_1xy4 1
109 3 . . . rr_1xy4 1
110 1 . . . rr_1xy4 1
111 1 . . . rr_1xy4 1
112 1 . . . rr_1xy4 1
113 1 . . . rr_1xy4 1
114 1 . . . rr_1xy4 1
115 1 . . . rr_1xy4 1
116 1 . . . rr_1xy4 1
117 1 . . . rr_1xy4 1
118 1 . . . rr_1xy4 1
119 1 . . . rr_1xy4 1
120 1 2 . OR rr_1xy4 1
120 2 . 3 . rr_1xy4 1
120 3 . . . rr_1xy4 1
121 1 . . . rr_1xy4 1
122 1 . . . rr_1xy4 1
123 1 . . . rr_1xy4 1
124 1 2 . OR rr_1xy4 1
124 2 . 3 . rr_1xy4 1
124 3 . . . rr_1xy4 1
125 1 2 . OR rr_1xy4 1
125 2 . 3 . rr_1xy4 1
125 3 . . . rr_1xy4 1
126 1 . . . rr_1xy4 1
127 1 . . . rr_1xy4 1
128 1 . . . rr_1xy4 1
129 1 . . . rr_1xy4 1
130 1 . . . rr_1xy4 1
131 1 . . . rr_1xy4 1
132 1 2 . OR rr_1xy4 1
132 2 . 3 . rr_1xy4 1
132 3 . . . rr_1xy4 1
133 1 . . . rr_1xy4 1
134 1 . . . rr_1xy4 1
135 1 . . . rr_1xy4 1
136 1 2 . OR rr_1xy4 1
136 2 . 3 . rr_1xy4 1
136 3 . . . rr_1xy4 1
137 1 . . . rr_1xy4 1
138 1 . . . rr_1xy4 1
139 1 . . . rr_1xy4 1
140 1 . . . rr_1xy4 1
141 1 . . . rr_1xy4 1
142 1 . . . rr_1xy4 1
143 1 2 . OR rr_1xy4 1
143 2 . 3 . rr_1xy4 1
143 3 . . . rr_1xy4 1
144 1 2 . OR rr_1xy4 1
144 2 . 3 . rr_1xy4 1
144 3 . . . rr_1xy4 1
145 1 2 . OR rr_1xy4 1
145 2 . 3 . rr_1xy4 1
145 3 . . . rr_1xy4 1
146 1 2 . OR rr_1xy4 1
146 2 . 3 . rr_1xy4 1
146 3 . . . rr_1xy4 1
147 1 2 . OR rr_1xy4 1
147 2 . 3 . rr_1xy4 1
147 3 . . . rr_1xy4 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 2 . 1 . 1 1 10 10 LYS HA H . . . . 10 KBR HA rr_1xy4 1
1 2 . 2 . 1 1 10 10 LYS HB3 H . . . . 10 KBR QB rr_1xy4 1
1 3 . 1 . 1 1 10 10 LYS HA H . . . . 10 KBR HA rr_1xy4 1
1 3 . 2 . 1 1 10 10 LYS HB2 H . . . . 10 KBR QB rr_1xy4 1
2 2 . 1 . 1 1 10 10 LYS HA H . . . . 10 KBR HA rr_1xy4 1
2 2 . 2 . 1 1 10 10 LYS HD2 H . . . . 10 KBR QD rr_1xy4 1
2 3 . 1 . 1 1 10 10 LYS HA H . . . . 10 KBR HA rr_1xy4 1
2 3 . 2 . 1 1 10 10 LYS HD3 H . . . . 10 KBR QD rr_1xy4 1
3 1 . 1 . 1 1 10 10 LYS HA H . . . . 10 KBR HA rr_1xy4 1
3 1 . 2 . 1 1 11 11 SER H H . . . . 11 SER HN rr_1xy4 1
4 2 . 1 . 1 1 10 10 LYS HA H . . . . 10 KBR HA rr_1xy4 1
4 2 . 2 . 1 1 11 11 SER HB2 H . . . . 11 SER QB rr_1xy4 1
4 3 . 1 . 1 1 10 10 LYS HA H . . . . 10 KBR HA rr_1xy4 1
4 3 . 2 . 1 1 11 11 SER HB3 H . . . . 11 SER QB rr_1xy4 1
5 1 . 1 . 1 1 10 10 LYS HB2 H . . . . 10 KBR HB2 rr_1xy4 1
5 1 . 2 . 1 1 10 10 LYS HE2 H . . . . 10 KBR HE2 rr_1xy4 1
6 1 . 1 . 1 1 10 10 LYS HB2 H . . . . 10 KBR HB2 rr_1xy4 1
6 1 . 2 . 1 1 10 10 LYS HE3 H . . . . 10 KBR HE3 rr_1xy4 1
7 1 . 1 . 1 1 10 10 LYS HB2 H . . . . 10 KBR HB2 rr_1xy4 1
7 1 . 2 . 1 1 11 11 SER HA H . . . . 11 SER HA rr_1xy4 1
8 1 . 1 . 1 1 10 10 LYS HB2 H . . . . 10 KBR HB2 rr_1xy4 1
8 1 . 2 . 1 1 11 11 SER H H . . . . 11 SER HN rr_1xy4 1
9 1 . 1 . 1 1 10 10 LYS HB3 H . . . . 10 KBR HB3 rr_1xy4 1
9 1 . 2 . 1 1 10 10 LYS HE2 H . . . . 10 KBR HE2 rr_1xy4 1
10 1 . 1 . 1 1 10 10 LYS HB3 H . . . . 10 KBR HB3 rr_1xy4 1
10 1 . 2 . 1 1 10 10 LYS HE3 H . . . . 10 KBR HE3 rr_1xy4 1
11 1 . 1 . 1 1 10 10 LYS HB3 H . . . . 10 KBR HB3 rr_1xy4 1
11 1 . 2 . 1 1 11 11 SER HA H . . . . 11 SER HA rr_1xy4 1
12 1 . 1 . 1 1 10 10 LYS HB3 H . . . . 10 KBR HB3 rr_1xy4 1
12 1 . 2 . 1 1 11 11 SER H H . . . . 11 SER HN rr_1xy4 1
13 1 . 1 . 1 1 10 10 LYS H H . . . . 10 KBR HN rr_1xy4 1
13 1 . 2 . 1 1 10 10 LYS HB2 H . . . . 10 KBR HB2 rr_1xy4 1
14 1 . 1 . 1 1 10 10 LYS H H . . . . 10 KBR HN rr_1xy4 1
14 1 . 2 . 1 1 10 10 LYS HB3 H . . . . 10 KBR HB3 rr_1xy4 1
15 2 . 1 . 1 1 10 10 LYS H H . . . . 10 KBR HN rr_1xy4 1
15 2 . 2 . 1 1 10 10 LYS HB3 H . . . . 10 KBR QB rr_1xy4 1
15 3 . 1 . 1 1 10 10 LYS H H . . . . 10 KBR HN rr_1xy4 1
15 3 . 2 . 1 1 10 10 LYS HB2 H . . . . 10 KBR QB rr_1xy4 1
16 2 . 1 . 1 1 10 10 LYS H H . . . . 10 KBR HN rr_1xy4 1
16 2 . 2 . 1 1 10 10 LYS HD2 H . . . . 10 KBR QD rr_1xy4 1
16 3 . 1 . 1 1 10 10 LYS H H . . . . 10 KBR HN rr_1xy4 1
16 3 . 2 . 1 1 10 10 LYS HD3 H . . . . 10 KBR QD rr_1xy4 1
17 2 . 1 . 1 1 10 10 LYS H H . . . . 10 KBR HN rr_1xy4 1
17 2 . 2 . 1 1 10 10 LYS HG2 H . . . . 10 KBR QG rr_1xy4 1
17 3 . 1 . 1 1 10 10 LYS H H . . . . 10 KBR HN rr_1xy4 1
17 3 . 2 . 1 1 10 10 LYS HG3 H . . . . 10 KBR QG rr_1xy4 1
18 2 . 1 . 1 1 10 10 LYS HB3 H . . . . 10 KBR QB rr_1xy4 1
18 2 . 2 . 1 1 10 10 LYS QZ H . . . . 10 KBR HZ1 rr_1xy4 1
18 3 . 1 . 1 1 10 10 LYS HB2 H . . . . 10 KBR QB rr_1xy4 1
18 3 . 2 . 1 1 10 10 LYS QZ H . . . . 10 KBR HZ1 rr_1xy4 1
19 2 . 1 . 1 1 10 10 LYS HB3 H . . . . 10 KBR QB rr_1xy4 1
19 2 . 2 . 1 1 10 10 LYS HE3 H . . . . 10 KBR QE rr_1xy4 1
19 3 . 1 . 1 1 10 10 LYS HB2 H . . . . 10 KBR QB rr_1xy4 1
19 3 . 2 . 1 1 10 10 LYS HE3 H . . . . 10 KBR QE rr_1xy4 1
19 4 . 1 . 1 1 10 10 LYS HB3 H . . . . 10 KBR QB rr_1xy4 1
19 4 . 2 . 1 1 10 10 LYS HE2 H . . . . 10 KBR QE rr_1xy4 1
19 5 . 1 . 1 1 10 10 LYS HB2 H . . . . 10 KBR QB rr_1xy4 1
19 5 . 2 . 1 1 10 10 LYS HE2 H . . . . 10 KBR QE rr_1xy4 1
20 2 . 1 . 1 1 10 10 LYS HB3 H . . . . 10 KBR QB rr_1xy4 1
20 2 . 2 . 1 1 11 11 SER H H . . . . 11 SER HN rr_1xy4 1
20 3 . 1 . 1 1 10 10 LYS HB2 H . . . . 10 KBR QB rr_1xy4 1
20 3 . 2 . 1 1 11 11 SER H H . . . . 11 SER HN rr_1xy4 1
21 2 . 1 . 1 1 10 10 LYS HD2 H . . . . 10 KBR QD rr_1xy4 1
21 2 . 2 . 1 1 11 11 SER HA H . . . . 11 SER HA rr_1xy4 1
21 3 . 1 . 1 1 10 10 LYS HD3 H . . . . 10 KBR QD rr_1xy4 1
21 3 . 2 . 1 1 11 11 SER HA H . . . . 11 SER HA rr_1xy4 1
22 2 . 1 . 1 1 10 10 LYS HD2 H . . . . 10 KBR QD rr_1xy4 1
22 2 . 2 . 1 1 11 11 SER H H . . . . 11 SER HN rr_1xy4 1
22 3 . 1 . 1 1 10 10 LYS HD3 H . . . . 10 KBR QD rr_1xy4 1
22 3 . 2 . 1 1 11 11 SER H H . . . . 11 SER HN rr_1xy4 1
23 2 . 1 . 1 1 10 10 LYS HG3 H . . . . 10 KBR QG rr_1xy4 1
23 2 . 2 . 1 1 10 10 LYS HE2 H . . . . 10 KBR HE2 rr_1xy4 1
23 3 . 1 . 1 1 10 10 LYS HG2 H . . . . 10 KBR QG rr_1xy4 1
23 3 . 2 . 1 1 10 10 LYS HE2 H . . . . 10 KBR HE2 rr_1xy4 1
24 2 . 1 . 1 1 10 10 LYS HG3 H . . . . 10 KBR QG rr_1xy4 1
24 2 . 2 . 1 1 10 10 LYS HE3 H . . . . 10 KBR HE3 rr_1xy4 1
24 3 . 1 . 1 1 10 10 LYS HG2 H . . . . 10 KBR QG rr_1xy4 1
24 3 . 2 . 1 1 10 10 LYS HE3 H . . . . 10 KBR HE3 rr_1xy4 1
25 2 . 1 . 1 1 10 10 LYS HG2 H . . . . 10 KBR QG rr_1xy4 1
25 2 . 2 . 1 1 10 10 LYS QZ H . . . . 10 KBR HZ1 rr_1xy4 1
25 3 . 1 . 1 1 10 10 LYS HG3 H . . . . 10 KBR QG rr_1xy4 1
25 3 . 2 . 1 1 10 10 LYS QZ H . . . . 10 KBR HZ1 rr_1xy4 1
26 2 . 1 . 1 1 10 10 LYS HG2 H . . . . 10 KBR QG rr_1xy4 1
26 2 . 2 . 1 1 11 11 SER H H . . . . 11 SER HN rr_1xy4 1
26 3 . 1 . 1 1 10 10 LYS HG3 H . . . . 10 KBR QG rr_1xy4 1
26 3 . 2 . 1 1 11 11 SER H H . . . . 11 SER HN rr_1xy4 1
27 2 . 1 . 1 1 11 11 SER H H . . . . 11 SER HN rr_1xy4 1
27 2 . 2 . 1 1 11 11 SER HB2 H . . . . 11 SER QB rr_1xy4 1
27 3 . 1 . 1 1 11 11 SER H H . . . . 11 SER HN rr_1xy4 1
27 3 . 2 . 1 1 11 11 SER HB3 H . . . . 11 SER QB rr_1xy4 1
28 1 . 1 . 1 1 12 12 CYS H H . . . . 12 CYSS HN rr_1xy4 1
28 1 . 2 . 1 1 12 12 CYS HA H . . . . 12 CYSS HA rr_1xy4 1
29 1 . 1 . 1 1 1 1 TYR HA H . . . . 1 TYR HA rr_1xy4 1
29 1 . 2 . 1 1 1 1 TYR HB2 H . . . . 1 TYR HB2 rr_1xy4 1
30 1 . 1 . 1 1 1 1 TYR HA H . . . . 1 TYR HA rr_1xy4 1
30 1 . 2 . 1 1 1 1 TYR HB3 H . . . . 1 TYR HB3 rr_1xy4 1
31 2 . 1 . 1 1 1 1 TYR HA H . . . . 1 TYR HA rr_1xy4 1
31 2 . 2 . 1 1 1 1 TYR HB2 H . . . . 1 TYR QB rr_1xy4 1
31 3 . 1 . 1 1 1 1 TYR HA H . . . . 1 TYR HA rr_1xy4 1
31 3 . 2 . 1 1 1 1 TYR HB3 H . . . . 1 TYR QB rr_1xy4 1
32 1 . 1 . 1 1 1 1 TYR HA H . . . . 1 TYR HA rr_1xy4 1
32 1 . 2 . 1 1 2 2 CYS H H . . . . 2 CYSS HN rr_1xy4 1
33 1 . 1 . 1 1 1 1 TYR HB2 H . . . . 1 TYR HB2 rr_1xy4 1
33 1 . 2 . 1 1 2 2 CYS H H . . . . 2 CYSS HN rr_1xy4 1
34 1 . 1 . 1 1 1 1 TYR HB3 H . . . . 1 TYR HB3 rr_1xy4 1
34 1 . 2 . 1 1 2 2 CYS H H . . . . 2 CYSS HN rr_1xy4 1
35 2 . 1 . 1 1 1 1 TYR HB2 H . . . . 1 TYR QB rr_1xy4 1
35 2 . 2 . 1 1 2 2 CYS H H . . . . 2 CYSS HN rr_1xy4 1
35 3 . 1 . 1 1 1 1 TYR HB3 H . . . . 1 TYR QB rr_1xy4 1
35 3 . 2 . 1 1 2 2 CYS H H . . . . 2 CYSS HN rr_1xy4 1
36 2 . 1 . 1 1 1 1 TYR HB2 H . . . . 1 TYR QB rr_1xy4 1
36 2 . 2 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
36 3 . 1 . 1 1 1 1 TYR HB3 H . . . . 1 TYR QB rr_1xy4 1
36 3 . 2 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
37 1 . 1 . 1 1 1 1 TYR QD H . . . . 1 TYR QD rr_1xy4 1
37 1 . 2 . 1 1 2 2 CYS H H . . . . 2 CYSS HN rr_1xy4 1
38 1 . 1 . 1 1 1 1 TYR QD H . . . . 1 TYR QD rr_1xy4 1
38 1 . 2 . 1 1 3 3 LYS HA H . . . . 3 LYS HA rr_1xy4 1
39 2 . 1 . 1 1 1 1 TYR QD H . . . . 1 TYR QD rr_1xy4 1
39 2 . 2 . 1 1 3 3 LYS HD2 H . . . . 3 LYS QD rr_1xy4 1
39 3 . 1 . 1 1 1 1 TYR QD H . . . . 1 TYR QD rr_1xy4 1
39 3 . 2 . 1 1 3 3 LYS HD3 H . . . . 3 LYS QD rr_1xy4 1
40 2 . 1 . 1 1 1 1 TYR QD H . . . . 1 TYR QD rr_1xy4 1
40 2 . 2 . 1 1 3 3 LYS HG3 H . . . . 3 LYS QG rr_1xy4 1
40 3 . 1 . 1 1 1 1 TYR QD H . . . . 1 TYR QD rr_1xy4 1
40 3 . 2 . 1 1 3 3 LYS HG2 H . . . . 3 LYS QG rr_1xy4 1
41 1 . 1 . 1 1 1 1 TYR QE H . . . . 1 TYR QE rr_1xy4 1
41 1 . 2 . 1 1 3 3 LYS HA H . . . . 3 LYS HA rr_1xy4 1
42 1 . 1 . 1 1 1 1 TYR QE H . . . . 1 TYR QE rr_1xy4 1
42 1 . 2 . 1 1 3 3 LYS HG2 H . . . . 3 LYS HG2 rr_1xy4 1
43 1 . 1 . 1 1 1 1 TYR QE H . . . . 1 TYR QE rr_1xy4 1
43 1 . 2 . 1 1 3 3 LYS HG3 H . . . . 3 LYS HG3 rr_1xy4 1
44 2 . 1 . 1 1 1 1 TYR QE H . . . . 1 TYR QE rr_1xy4 1
44 2 . 2 . 1 1 3 3 LYS HB2 H . . . . 3 LYS QB rr_1xy4 1
44 3 . 1 . 1 1 1 1 TYR QE H . . . . 1 TYR QE rr_1xy4 1
44 3 . 2 . 1 1 3 3 LYS HB3 H . . . . 3 LYS QB rr_1xy4 1
45 2 . 1 . 1 1 1 1 TYR QE H . . . . 1 TYR QE rr_1xy4 1
45 2 . 2 . 1 1 3 3 LYS HD2 H . . . . 3 LYS QD rr_1xy4 1
45 3 . 1 . 1 1 1 1 TYR QE H . . . . 1 TYR QE rr_1xy4 1
45 3 . 2 . 1 1 3 3 LYS HD3 H . . . . 3 LYS QD rr_1xy4 1
46 2 . 1 . 1 1 1 1 TYR QE H . . . . 1 TYR QE rr_1xy4 1
46 2 . 2 . 1 1 3 3 LYS HG3 H . . . . 3 LYS QG rr_1xy4 1
46 3 . 1 . 1 1 1 1 TYR QE H . . . . 1 TYR QE rr_1xy4 1
46 3 . 2 . 1 1 3 3 LYS HG2 H . . . . 3 LYS QG rr_1xy4 1
47 1 . 1 . 1 1 2 2 CYS HA H . . . . 2 CYSS HA rr_1xy4 1
47 1 . 2 . 1 1 12 12 CYS HA H . . . . 12 CYSS HA rr_1xy4 1
48 2 . 1 . 1 1 2 2 CYS HA H . . . . 2 CYSS HA rr_1xy4 1
48 2 . 2 . 1 1 2 2 CYS HB3 H . . . . 2 CYSS QB rr_1xy4 1
48 3 . 1 . 1 1 2 2 CYS HA H . . . . 2 CYSS HA rr_1xy4 1
48 3 . 2 . 1 1 2 2 CYS HB2 H . . . . 2 CYSS QB rr_1xy4 1
49 1 . 1 . 1 1 2 2 CYS HA H . . . . 2 CYSS HA rr_1xy4 1
49 1 . 2 . 1 1 3 3 LYS HA H . . . . 3 LYS HA rr_1xy4 1
50 1 . 1 . 1 1 2 2 CYS HA H . . . . 2 CYSS HA rr_1xy4 1
50 1 . 2 . 1 1 3 3 LYS HG2 H . . . . 3 LYS HG2 rr_1xy4 1
51 1 . 1 . 1 1 2 2 CYS HA H . . . . 2 CYSS HA rr_1xy4 1
51 1 . 2 . 1 1 3 3 LYS HG3 H . . . . 3 LYS HG3 rr_1xy4 1
52 1 . 1 . 1 1 2 2 CYS HA H . . . . 2 CYSS HA rr_1xy4 1
52 1 . 2 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
53 2 . 1 . 1 1 2 2 CYS HA H . . . . 2 CYSS HA rr_1xy4 1
53 2 . 2 . 1 1 3 3 LYS HB2 H . . . . 3 LYS QB rr_1xy4 1
53 3 . 1 . 1 1 2 2 CYS HA H . . . . 2 CYSS HA rr_1xy4 1
53 3 . 2 . 1 1 3 3 LYS HB3 H . . . . 3 LYS QB rr_1xy4 1
54 2 . 1 . 1 1 2 2 CYS HA H . . . . 2 CYSS HA rr_1xy4 1
54 2 . 2 . 1 1 3 3 LYS HG3 H . . . . 3 LYS QG rr_1xy4 1
54 3 . 1 . 1 1 2 2 CYS HA H . . . . 2 CYSS HA rr_1xy4 1
54 3 . 2 . 1 1 3 3 LYS HG2 H . . . . 3 LYS QG rr_1xy4 1
55 1 . 1 . 1 1 2 2 CYS HB2 H . . . . 2 CYSS HB2 rr_1xy4 1
55 1 . 2 . 1 1 3 3 LYS HA H . . . . 3 LYS HA rr_1xy4 1
56 1 . 1 . 1 1 2 2 CYS HB2 H . . . . 2 CYSS HB2 rr_1xy4 1
56 1 . 2 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
57 1 . 1 . 1 1 2 2 CYS HB3 H . . . . 2 CYSS HB3 rr_1xy4 1
57 1 . 2 . 1 1 3 3 LYS HA H . . . . 3 LYS HA rr_1xy4 1
58 1 . 1 . 1 1 2 2 CYS HB3 H . . . . 2 CYSS HB3 rr_1xy4 1
58 1 . 2 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
59 1 . 1 . 1 1 2 2 CYS H H . . . . 2 CYSS HN rr_1xy4 1
59 1 . 2 . 1 1 12 12 CYS HA H . . . . 12 CYSS HA rr_1xy4 1
60 1 . 1 . 1 1 2 2 CYS H H . . . . 2 CYSS HN rr_1xy4 1
60 1 . 2 . 1 1 2 2 CYS HA H . . . . 2 CYSS HA rr_1xy4 1
61 1 . 1 . 1 1 2 2 CYS H H . . . . 2 CYSS HN rr_1xy4 1
61 1 . 2 . 1 1 2 2 CYS HB2 H . . . . 2 CYSS HB2 rr_1xy4 1
62 1 . 1 . 1 1 2 2 CYS H H . . . . 2 CYSS HN rr_1xy4 1
62 1 . 2 . 1 1 2 2 CYS HB3 H . . . . 2 CYSS HB3 rr_1xy4 1
63 2 . 1 . 1 1 2 2 CYS H H . . . . 2 CYSS HN rr_1xy4 1
63 2 . 2 . 1 1 2 2 CYS HB3 H . . . . 2 CYSS QB rr_1xy4 1
63 3 . 1 . 1 1 2 2 CYS H H . . . . 2 CYSS HN rr_1xy4 1
63 3 . 2 . 1 1 2 2 CYS HB2 H . . . . 2 CYSS QB rr_1xy4 1
64 1 . 1 . 1 1 2 2 CYS H H . . . . 2 CYSS HN rr_1xy4 1
64 1 . 2 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
65 2 . 1 . 1 1 2 2 CYS H H . . . . 2 CYSS HN rr_1xy4 1
65 2 . 2 . 1 1 3 3 LYS HB2 H . . . . 3 LYS QB rr_1xy4 1
65 3 . 1 . 1 1 2 2 CYS H H . . . . 2 CYSS HN rr_1xy4 1
65 3 . 2 . 1 1 3 3 LYS HB3 H . . . . 3 LYS QB rr_1xy4 1
66 2 . 1 . 1 1 2 2 CYS H H . . . . 2 CYSS HN rr_1xy4 1
66 2 . 2 . 1 1 3 3 LYS HG3 H . . . . 3 LYS QG rr_1xy4 1
66 3 . 1 . 1 1 2 2 CYS H H . . . . 2 CYSS HN rr_1xy4 1
66 3 . 2 . 1 1 3 3 LYS HG2 H . . . . 3 LYS QG rr_1xy4 1
67 2 . 1 . 1 1 2 2 CYS HB3 H . . . . 2 CYSS QB rr_1xy4 1
67 2 . 2 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
67 3 . 1 . 1 1 2 2 CYS HB2 H . . . . 2 CYSS QB rr_1xy4 1
67 3 . 2 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
68 2 . 1 . 1 1 3 3 LYS HA H . . . . 3 LYS HA rr_1xy4 1
68 2 . 2 . 1 1 11 11 SER HB2 H . . . . 11 SER QB rr_1xy4 1
68 3 . 1 . 1 1 3 3 LYS HA H . . . . 3 LYS HA rr_1xy4 1
68 3 . 2 . 1 1 11 11 SER HB3 H . . . . 11 SER QB rr_1xy4 1
69 1 . 1 . 1 1 3 3 LYS HA H . . . . 3 LYS HA rr_1xy4 1
69 1 . 2 . 1 1 3 3 LYS HG2 H . . . . 3 LYS HG2 rr_1xy4 1
70 1 . 1 . 1 1 3 3 LYS HA H . . . . 3 LYS HA rr_1xy4 1
70 1 . 2 . 1 1 3 3 LYS HG3 H . . . . 3 LYS HG3 rr_1xy4 1
71 2 . 1 . 1 1 3 3 LYS HA H . . . . 3 LYS HA rr_1xy4 1
71 2 . 2 . 1 1 3 3 LYS HD2 H . . . . 3 LYS QD rr_1xy4 1
71 3 . 1 . 1 1 3 3 LYS HA H . . . . 3 LYS HA rr_1xy4 1
71 3 . 2 . 1 1 3 3 LYS HD3 H . . . . 3 LYS QD rr_1xy4 1
72 2 . 1 . 1 1 3 3 LYS HA H . . . . 3 LYS HA rr_1xy4 1
72 2 . 2 . 1 1 3 3 LYS HG3 H . . . . 3 LYS QG rr_1xy4 1
72 3 . 1 . 1 1 3 3 LYS HA H . . . . 3 LYS HA rr_1xy4 1
72 3 . 2 . 1 1 3 3 LYS HG2 H . . . . 3 LYS QG rr_1xy4 1
73 2 . 1 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
73 2 . 2 . 1 1 10 10 LYS HD2 H . . . . 10 KBR QD rr_1xy4 1
73 3 . 1 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
73 3 . 2 . 1 1 10 10 LYS HD3 H . . . . 10 KBR QD rr_1xy4 1
74 1 . 1 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
74 1 . 2 . 1 1 11 11 SER H H . . . . 11 SER HN rr_1xy4 1
75 2 . 1 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
75 2 . 2 . 1 1 11 11 SER HB2 H . . . . 11 SER QB rr_1xy4 1
75 3 . 1 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
75 3 . 2 . 1 1 11 11 SER HB3 H . . . . 11 SER QB rr_1xy4 1
76 1 . 1 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
76 1 . 2 . 1 1 12 12 CYS HA H . . . . 12 CYSS HA rr_1xy4 1
77 1 . 1 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
77 1 . 2 . 1 1 3 3 LYS HG2 H . . . . 3 LYS HG2 rr_1xy4 1
78 1 . 1 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
78 1 . 2 . 1 1 3 3 LYS HG3 H . . . . 3 LYS HG3 rr_1xy4 1
79 2 . 1 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
79 2 . 2 . 1 1 3 3 LYS HB2 H . . . . 3 LYS QB rr_1xy4 1
79 3 . 1 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
79 3 . 2 . 1 1 3 3 LYS HB3 H . . . . 3 LYS QB rr_1xy4 1
80 2 . 1 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
80 2 . 2 . 1 1 3 3 LYS HD2 H . . . . 3 LYS QD rr_1xy4 1
80 3 . 1 . 1 1 3 3 LYS H H . . . . 3 LYS HN rr_1xy4 1
80 3 . 2 . 1 1 3 3 LYS HD3 H . . . . 3 LYS QD rr_1xy4 1
81 2 . 1 . 1 1 3 3 LYS HB2 H . . . . 3 LYS QB rr_1xy4 1
81 2 . 2 . 1 1 11 11 SER H H . . . . 11 SER HN rr_1xy4 1
81 3 . 1 . 1 1 3 3 LYS HB3 H . . . . 3 LYS QB rr_1xy4 1
81 3 . 2 . 1 1 11 11 SER H H . . . . 11 SER HN rr_1xy4 1
82 2 . 1 . 1 1 3 3 LYS HB2 H . . . . 3 LYS QB rr_1xy4 1
82 2 . 2 . 1 1 3 3 LYS HE2 H . . . . 3 LYS QE rr_1xy4 1
82 3 . 1 . 1 1 3 3 LYS HB3 H . . . . 3 LYS QB rr_1xy4 1
82 3 . 2 . 1 1 3 3 LYS HE2 H . . . . 3 LYS QE rr_1xy4 1
82 4 . 1 . 1 1 3 3 LYS HB2 H . . . . 3 LYS QB rr_1xy4 1
82 4 . 2 . 1 1 3 3 LYS HE3 H . . . . 3 LYS QE rr_1xy4 1
82 5 . 1 . 1 1 3 3 LYS HB3 H . . . . 3 LYS QB rr_1xy4 1
82 5 . 2 . 1 1 3 3 LYS HE3 H . . . . 3 LYS QE rr_1xy4 1
83 2 . 1 . 1 1 3 3 LYS HB2 H . . . . 3 LYS QB rr_1xy4 1
83 2 . 2 . 1 1 5 5 PHE QD H . . . . 5 PHE QD rr_1xy4 1
83 3 . 1 . 1 1 3 3 LYS HB3 H . . . . 3 LYS QB rr_1xy4 1
83 3 . 2 . 1 1 5 5 PHE QD H . . . . 5 PHE QD rr_1xy4 1
84 2 . 1 . 1 1 3 3 LYS HB2 H . . . . 3 LYS QB rr_1xy4 1
84 2 . 2 . 1 1 5 5 PHE QE H . . . . 5 PHE QE rr_1xy4 1
84 3 . 1 . 1 1 3 3 LYS HB3 H . . . . 3 LYS QB rr_1xy4 1
84 3 . 2 . 1 1 5 5 PHE QE H . . . . 5 PHE QE rr_1xy4 1
85 2 . 1 . 1 1 3 3 LYS HB2 H . . . . 3 LYS QB rr_1xy4 1
85 2 . 2 . 1 1 9 9 PHE QD H . . . . 9 PHE QD rr_1xy4 1
85 3 . 1 . 1 1 3 3 LYS HB3 H . . . . 3 LYS QB rr_1xy4 1
85 3 . 2 . 1 1 9 9 PHE QD H . . . . 9 PHE QD rr_1xy4 1
86 2 . 1 . 1 1 3 3 LYS HB2 H . . . . 3 LYS QB rr_1xy4 1
86 2 . 2 . 1 1 9 9 PHE QE H . . . . 9 PHE QE rr_1xy4 1
86 3 . 1 . 1 1 3 3 LYS HB3 H . . . . 3 LYS QB rr_1xy4 1
86 3 . 2 . 1 1 9 9 PHE QE H . . . . 9 PHE QE rr_1xy4 1
87 2 . 1 . 1 1 3 3 LYS HD2 H . . . . 3 LYS QD rr_1xy4 1
87 2 . 2 . 1 1 5 5 PHE QE H . . . . 5 PHE QE rr_1xy4 1
87 3 . 1 . 1 1 3 3 LYS HD3 H . . . . 3 LYS QD rr_1xy4 1
87 3 . 2 . 1 1 5 5 PHE QE H . . . . 5 PHE QE rr_1xy4 1
88 2 . 1 . 1 1 3 3 LYS HG3 H . . . . 3 LYS QG rr_1xy4 1
88 2 . 2 . 1 1 5 5 PHE QE H . . . . 5 PHE QE rr_1xy4 1
88 3 . 1 . 1 1 3 3 LYS HG2 H . . . . 3 LYS QG rr_1xy4 1
88 3 . 2 . 1 1 5 5 PHE QE H . . . . 5 PHE QE rr_1xy4 1
89 2 . 1 . 1 1 3 3 LYS HG3 H . . . . 3 LYS QG rr_1xy4 1
89 2 . 2 . 1 1 9 9 PHE QD H . . . . 9 PHE QD rr_1xy4 1
89 3 . 1 . 1 1 3 3 LYS HG2 H . . . . 3 LYS QG rr_1xy4 1
89 3 . 2 . 1 1 9 9 PHE QD H . . . . 9 PHE QD rr_1xy4 1
90 2 . 1 . 1 1 3 3 LYS HG3 H . . . . 3 LYS QG rr_1xy4 1
90 2 . 2 . 1 1 9 9 PHE QE H . . . . 9 PHE QE rr_1xy4 1
90 3 . 1 . 1 1 3 3 LYS HG2 H . . . . 3 LYS QG rr_1xy4 1
90 3 . 2 . 1 1 9 9 PHE QE H . . . . 9 PHE QE rr_1xy4 1
91 2 . 1 . 1 1 5 5 PHE HA H . . . . 5 PHE HA rr_1xy4 1
91 2 . 2 . 1 1 11 11 SER HB2 H . . . . 11 SER QB rr_1xy4 1
91 3 . 1 . 1 1 5 5 PHE HA H . . . . 5 PHE HA rr_1xy4 1
91 3 . 2 . 1 1 11 11 SER HB3 H . . . . 11 SER QB rr_1xy4 1
92 1 . 1 . 1 1 5 5 PHE HA H . . . . 5 PHE HA rr_1xy4 1
92 1 . 2 . 1 1 6 6 DTR HD1 H . . . . 6 DTRP HD1 rr_1xy4 1
93 1 . 1 . 1 1 5 5 PHE HA H . . . . 5 PHE HA rr_1xy4 1
93 1 . 2 . 1 1 8 8 THR MG H . . . . 8 THR QG2 rr_1xy4 1
94 1 . 1 . 1 1 5 5 PHE HB2 H . . . . 5 PHE HB2 rr_1xy4 1
94 1 . 2 . 1 1 9 9 PHE H H . . . . 9 PHE HN rr_1xy4 1
95 1 . 1 . 1 1 5 5 PHE HB2 H . . . . 5 PHE HB2 rr_1xy4 1
95 1 . 2 . 1 1 9 9 PHE QD H . . . . 9 PHE QD rr_1xy4 1
96 1 . 1 . 1 1 5 5 PHE HB2 H . . . . 5 PHE HB2 rr_1xy4 1
96 1 . 2 . 1 1 9 9 PHE QE H . . . . 9 PHE QE rr_1xy4 1
97 1 . 1 . 1 1 5 5 PHE HB3 H . . . . 5 PHE HB3 rr_1xy4 1
97 1 . 2 . 1 1 9 9 PHE H H . . . . 9 PHE HN rr_1xy4 1
98 1 . 1 . 1 1 5 5 PHE HB3 H . . . . 5 PHE HB3 rr_1xy4 1
98 1 . 2 . 1 1 9 9 PHE QD H . . . . 9 PHE QD rr_1xy4 1
99 1 . 1 . 1 1 5 5 PHE HB3 H . . . . 5 PHE HB3 rr_1xy4 1
99 1 . 2 . 1 1 9 9 PHE QE H . . . . 9 PHE QE rr_1xy4 1
100 1 . 1 . 1 1 5 5 PHE H H . . . . 5 PHE HN rr_1xy4 1
100 1 . 2 . 1 1 5 5 PHE HB2 H . . . . 5 PHE HB2 rr_1xy4 1
101 1 . 1 . 1 1 5 5 PHE H H . . . . 5 PHE HN rr_1xy4 1
101 1 . 2 . 1 1 5 5 PHE HB3 H . . . . 5 PHE HB3 rr_1xy4 1
102 2 . 1 . 1 1 5 5 PHE H H . . . . 5 PHE HN rr_1xy4 1
102 2 . 2 . 1 1 5 5 PHE HB3 H . . . . 5 PHE QB rr_1xy4 1
102 3 . 1 . 1 1 5 5 PHE H H . . . . 5 PHE HN rr_1xy4 1
102 3 . 2 . 1 1 5 5 PHE HB2 H . . . . 5 PHE QB rr_1xy4 1
103 1 . 1 . 1 1 5 5 PHE HZ H . . . . 5 PHE HZ rr_1xy4 1
103 1 . 2 . 1 1 8 8 THR MG H . . . . 8 THR QG2 rr_1xy4 1
104 2 . 1 . 1 1 5 5 PHE HB3 H . . . . 5 PHE QB rr_1xy4 1
104 2 . 2 . 1 1 6 6 DTR HA H . . . . 6 DTRP HA rr_1xy4 1
104 3 . 1 . 1 1 5 5 PHE HB2 H . . . . 5 PHE QB rr_1xy4 1
104 3 . 2 . 1 1 6 6 DTR HA H . . . . 6 DTRP HA rr_1xy4 1
105 2 . 1 . 1 1 5 5 PHE HB3 H . . . . 5 PHE QB rr_1xy4 1
105 2 . 2 . 1 1 9 9 PHE H H . . . . 9 PHE HN rr_1xy4 1
105 3 . 1 . 1 1 5 5 PHE HB2 H . . . . 5 PHE QB rr_1xy4 1
105 3 . 2 . 1 1 9 9 PHE H H . . . . 9 PHE HN rr_1xy4 1
106 2 . 1 . 1 1 5 5 PHE QD H . . . . 5 PHE QD rr_1xy4 1
106 2 . 2 . 1 1 11 11 SER HB2 H . . . . 11 SER QB rr_1xy4 1
106 3 . 1 . 1 1 5 5 PHE QD H . . . . 5 PHE QD rr_1xy4 1
106 3 . 2 . 1 1 11 11 SER HB3 H . . . . 11 SER QB rr_1xy4 1
107 1 . 1 . 1 1 5 5 PHE QD H . . . . 5 PHE QD rr_1xy4 1
107 1 . 2 . 1 1 8 8 THR MG H . . . . 8 THR QG2 rr_1xy4 1
108 2 . 1 . 1 1 5 5 PHE QD H . . . . 5 PHE QD rr_1xy4 1
108 2 . 2 . 1 1 9 9 PHE HB3 H . . . . 9 PHE QB rr_1xy4 1
108 3 . 1 . 1 1 5 5 PHE QD H . . . . 5 PHE QD rr_1xy4 1
108 3 . 2 . 1 1 9 9 PHE HB2 H . . . . 9 PHE QB rr_1xy4 1
109 2 . 1 . 1 1 5 5 PHE QE H . . . . 5 PHE QE rr_1xy4 1
109 2 . 2 . 1 1 11 11 SER HB2 H . . . . 11 SER QB rr_1xy4 1
109 3 . 1 . 1 1 5 5 PHE QE H . . . . 5 PHE QE rr_1xy4 1
109 3 . 2 . 1 1 11 11 SER HB3 H . . . . 11 SER QB rr_1xy4 1
110 1 . 1 . 1 1 5 5 PHE QE H . . . . 5 PHE QE rr_1xy4 1
110 1 . 2 . 1 1 8 8 THR MG H . . . . 8 THR QG2 rr_1xy4 1
111 1 . 1 . 1 1 6 6 DTR HA H . . . . 6 DTRP HA rr_1xy4 1
111 1 . 2 . 1 1 6 6 DTR HD1 H . . . . 6 DTRP HD1 rr_1xy4 1
112 1 . 1 . 1 1 6 6 DTR HA H . . . . 6 DTRP HA rr_1xy4 1
112 1 . 2 . 1 1 6 6 DTR HE3 H . . . . 6 DTRP HE3 rr_1xy4 1
113 1 . 1 . 1 1 6 6 DTR HA H . . . . 6 DTRP HA rr_1xy4 1
113 1 . 2 . 1 1 8 8 THR H H . . . . 8 THR HN rr_1xy4 1
114 1 . 1 . 1 1 6 6 DTR HA H . . . . 6 DTRP HA rr_1xy4 1
114 1 . 2 . 1 1 8 8 THR MG H . . . . 8 THR QG2 rr_1xy4 1
115 1 . 1 . 1 1 7 7 IAM HA H . . . . 7 IAMP HA rr_1xy4 1
115 1 . 2 . 1 1 8 8 THR H H . . . . 8 THR HN rr_1xy4 1
116 1 . 1 . 1 1 7 7 IAM HA H . . . . 7 IAMP HA rr_1xy4 1
116 1 . 2 . 1 1 8 8 THR MG H . . . . 8 THR QG2 rr_1xy4 1
117 1 . 1 . 1 1 8 8 THR HA H . . . . 8 THR HA rr_1xy4 1
117 1 . 2 . 1 1 8 8 THR HB H . . . . 8 THR HB rr_1xy4 1
118 1 . 1 . 1 1 8 8 THR HA H . . . . 8 THR HA rr_1xy4 1
118 1 . 2 . 1 1 8 8 THR MG H . . . . 8 THR QG2 rr_1xy4 1
119 1 . 1 . 1 1 8 8 THR HA H . . . . 8 THR HA rr_1xy4 1
119 1 . 2 . 1 1 9 9 PHE H H . . . . 9 PHE HN rr_1xy4 1
120 2 . 1 . 1 1 8 8 THR HA H . . . . 8 THR HA rr_1xy4 1
120 2 . 2 . 1 1 9 9 PHE HB3 H . . . . 9 PHE QB rr_1xy4 1
120 3 . 1 . 1 1 8 8 THR HA H . . . . 8 THR HA rr_1xy4 1
120 3 . 2 . 1 1 9 9 PHE HB2 H . . . . 9 PHE QB rr_1xy4 1
121 1 . 1 . 1 1 8 8 THR HA H . . . . 8 THR HA rr_1xy4 1
121 1 . 2 . 1 1 9 9 PHE QD H . . . . 9 PHE QD rr_1xy4 1
122 1 . 1 . 1 1 8 8 THR HB H . . . . 8 THR HB rr_1xy4 1
122 1 . 2 . 1 1 9 9 PHE H H . . . . 9 PHE HN rr_1xy4 1
123 1 . 1 . 1 1 8 8 THR HB H . . . . 8 THR HB rr_1xy4 1
123 1 . 2 . 1 1 9 9 PHE QD H . . . . 9 PHE QD rr_1xy4 1
124 2 . 1 . 1 1 8 8 THR H H . . . . 8 THR HN rr_1xy4 1
124 2 . 2 . 1 1 10 10 LYS HD2 H . . . . 10 KBR QD rr_1xy4 1
124 3 . 1 . 1 1 8 8 THR H H . . . . 8 THR HN rr_1xy4 1
124 3 . 2 . 1 1 10 10 LYS HD3 H . . . . 10 KBR QD rr_1xy4 1
125 2 . 1 . 1 1 8 8 THR H H . . . . 8 THR HN rr_1xy4 1
125 2 . 2 . 1 1 10 10 LYS HG2 H . . . . 10 KBR QG rr_1xy4 1
125 3 . 1 . 1 1 8 8 THR H H . . . . 8 THR HN rr_1xy4 1
125 3 . 2 . 1 1 10 10 LYS HG3 H . . . . 10 KBR QG rr_1xy4 1
126 1 . 1 . 1 1 8 8 THR H H . . . . 8 THR HN rr_1xy4 1
126 1 . 2 . 1 1 8 8 THR HB H . . . . 8 THR HB rr_1xy4 1
127 1 . 1 . 1 1 8 8 THR H H . . . . 8 THR HN rr_1xy4 1
127 1 . 2 . 1 1 8 8 THR MG H . . . . 8 THR QG2 rr_1xy4 1
128 1 . 1 . 1 1 8 8 THR MG H . . . . 8 THR QG2 rr_1xy4 1
128 1 . 2 . 1 1 10 10 LYS HA H . . . . 10 KBR HA rr_1xy4 1
129 1 . 1 . 1 1 8 8 THR MG H . . . . 8 THR QG2 rr_1xy4 1
129 1 . 2 . 1 1 10 10 LYS H H . . . . 10 KBR HN rr_1xy4 1
130 1 . 1 . 1 1 8 8 THR MG H . . . . 8 THR QG2 rr_1xy4 1
130 1 . 2 . 1 1 11 11 SER H H . . . . 11 SER HN rr_1xy4 1
131 1 . 1 . 1 1 8 8 THR MG H . . . . 8 THR QG2 rr_1xy4 1
131 1 . 2 . 1 1 9 9 PHE HA H . . . . 9 PHE HA rr_1xy4 1
132 2 . 1 . 1 1 8 8 THR MG H . . . . 8 THR QG2 rr_1xy4 1
132 2 . 2 . 1 1 9 9 PHE HB3 H . . . . 9 PHE QB rr_1xy4 1
132 3 . 1 . 1 1 8 8 THR MG H . . . . 8 THR QG2 rr_1xy4 1
132 3 . 2 . 1 1 9 9 PHE HB2 H . . . . 9 PHE QB rr_1xy4 1
133 1 . 1 . 1 1 8 8 THR MG H . . . . 8 THR QG2 rr_1xy4 1
133 1 . 2 . 1 1 9 9 PHE QD H . . . . 9 PHE QD rr_1xy4 1
134 1 . 1 . 1 1 8 8 THR MG H . . . . 8 THR QG2 rr_1xy4 1
134 1 . 2 . 1 1 9 9 PHE QE H . . . . 9 PHE QE rr_1xy4 1
135 1 . 1 . 1 1 9 9 PHE HA H . . . . 9 PHE HA rr_1xy4 1
135 1 . 2 . 1 1 10 10 LYS H H . . . . 10 KBR HN rr_1xy4 1
136 2 . 1 . 1 1 9 9 PHE HA H . . . . 9 PHE HA rr_1xy4 1
136 2 . 2 . 1 1 9 9 PHE HB3 H . . . . 9 PHE QB rr_1xy4 1
136 3 . 1 . 1 1 9 9 PHE HA H . . . . 9 PHE HA rr_1xy4 1
136 3 . 2 . 1 1 9 9 PHE HB2 H . . . . 9 PHE QB rr_1xy4 1
137 1 . 1 . 1 1 9 9 PHE HB2 H . . . . 9 PHE HB2 rr_1xy4 1
137 1 . 2 . 1 1 10 10 LYS H H . . . . 10 KBR HN rr_1xy4 1
138 1 . 1 . 1 1 9 9 PHE HB3 H . . . . 9 PHE HB3 rr_1xy4 1
138 1 . 2 . 1 1 10 10 LYS H H . . . . 10 KBR HN rr_1xy4 1
139 1 . 1 . 1 1 9 9 PHE H H . . . . 9 PHE HN rr_1xy4 1
139 1 . 2 . 1 1 10 10 LYS H H . . . . 10 KBR HN rr_1xy4 1
140 1 . 1 . 1 1 9 9 PHE H H . . . . 9 PHE HN rr_1xy4 1
140 1 . 2 . 1 1 9 9 PHE HA H . . . . 9 PHE HA rr_1xy4 1
141 1 . 1 . 1 1 9 9 PHE H H . . . . 9 PHE HN rr_1xy4 1
141 1 . 2 . 1 1 9 9 PHE HB2 H . . . . 9 PHE HB2 rr_1xy4 1
142 1 . 1 . 1 1 9 9 PHE H H . . . . 9 PHE HN rr_1xy4 1
142 1 . 2 . 1 1 9 9 PHE HB3 H . . . . 9 PHE HB3 rr_1xy4 1
143 2 . 1 . 1 1 9 9 PHE H H . . . . 9 PHE HN rr_1xy4 1
143 2 . 2 . 1 1 9 9 PHE HB3 H . . . . 9 PHE QB rr_1xy4 1
143 3 . 1 . 1 1 9 9 PHE H H . . . . 9 PHE HN rr_1xy4 1
143 3 . 2 . 1 1 9 9 PHE HB2 H . . . . 9 PHE QB rr_1xy4 1
144 2 . 1 . 1 1 9 9 PHE HB3 H . . . . 9 PHE QB rr_1xy4 1
144 2 . 2 . 1 1 10 10 LYS HA H . . . . 10 KBR HA rr_1xy4 1
144 3 . 1 . 1 1 9 9 PHE HB2 H . . . . 9 PHE QB rr_1xy4 1
144 3 . 2 . 1 1 10 10 LYS HA H . . . . 10 KBR HA rr_1xy4 1
145 2 . 1 . 1 1 9 9 PHE HB3 H . . . . 9 PHE QB rr_1xy4 1
145 2 . 2 . 1 1 10 10 LYS H H . . . . 10 KBR HN rr_1xy4 1
145 3 . 1 . 1 1 9 9 PHE HB2 H . . . . 9 PHE QB rr_1xy4 1
145 3 . 2 . 1 1 10 10 LYS H H . . . . 10 KBR HN rr_1xy4 1
146 2 . 1 . 1 1 9 9 PHE QD H . . . . 9 PHE QD rr_1xy4 1
146 2 . 2 . 1 1 11 11 SER HB2 H . . . . 11 SER QB rr_1xy4 1
146 3 . 1 . 1 1 9 9 PHE QD H . . . . 9 PHE QD rr_1xy4 1
146 3 . 2 . 1 1 11 11 SER HB3 H . . . . 11 SER QB rr_1xy4 1
147 2 . 1 . 1 1 9 9 PHE QE H . . . . 9 PHE QE rr_1xy4 1
147 2 . 2 . 1 1 11 11 SER HB2 H . . . . 11 SER QB rr_1xy4 1
147 3 . 1 . 1 1 9 9 PHE QE H . . . . 9 PHE QE rr_1xy4 1
147 3 . 2 . 1 1 11 11 SER HB3 H . . . . 11 SER QB rr_1xy4 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 2 . . . . . . . . 2.66 rr_1xy4 1
1 3 . . . . . . . . 2.66 rr_1xy4 1
2 2 . . . . . . . . 3.52 rr_1xy4 1
2 3 . . . . . . . . 3.52 rr_1xy4 1
3 1 . . . . . . . . 2.43 rr_1xy4 1
4 2 . . . . . . . . 4.80 rr_1xy4 1
4 3 . . . . . . . . 4.80 rr_1xy4 1
5 1 . . . . . . . . 4.96 rr_1xy4 1
6 1 . . . . . . . . 4.96 rr_1xy4 1
7 1 . . . . . . . . 5.50 rr_1xy4 1
8 1 . . . . . . . . 4.17 rr_1xy4 1
9 1 . . . . . . . . 4.96 rr_1xy4 1
10 1 . . . . . . . . 4.96 rr_1xy4 1
11 1 . . . . . . . . 5.50 rr_1xy4 1
12 1 . . . . . . . . 4.17 rr_1xy4 1
13 1 . . . . . . . . 3.70 rr_1xy4 1
14 1 . . . . . . . . 3.70 rr_1xy4 1
15 2 . . . . . . . . 3.31 rr_1xy4 1
15 3 . . . . . . . . 3.31 rr_1xy4 1
16 2 . . . . . . . . 5.01 rr_1xy4 1
16 3 . . . . . . . . 5.01 rr_1xy4 1
17 2 . . . . . . . . 6.38 rr_1xy4 1
17 3 . . . . . . . . 6.38 rr_1xy4 1
18 2 . . . . . . . . 4.98 rr_1xy4 1
18 3 . . . . . . . . 4.98 rr_1xy4 1
19 2 . . . . . . . . 3.94 rr_1xy4 1
19 3 . . . . . . . . 3.94 rr_1xy4 1
19 4 . . . . . . . . 3.94 rr_1xy4 1
19 5 . . . . . . . . 3.94 rr_1xy4 1
20 2 . . . . . . . . 3.84 rr_1xy4 1
20 3 . . . . . . . . 3.84 rr_1xy4 1
21 2 . . . . . . . . 6.38 rr_1xy4 1
21 3 . . . . . . . . 6.38 rr_1xy4 1
22 2 . . . . . . . . 5.97 rr_1xy4 1
22 3 . . . . . . . . 5.97 rr_1xy4 1
23 2 . . . . . . . . 3.28 rr_1xy4 1
23 3 . . . . . . . . 3.28 rr_1xy4 1
24 2 . . . . . . . . 3.28 rr_1xy4 1
24 3 . . . . . . . . 3.28 rr_1xy4 1
25 2 . . . . . . . . 4.83 rr_1xy4 1
25 3 . . . . . . . . 4.83 rr_1xy4 1
26 2 . . . . . . . . 5.91 rr_1xy4 1
26 3 . . . . . . . . 5.91 rr_1xy4 1
27 2 . . . . . . . . 3.90 rr_1xy4 1
27 3 . . . . . . . . 3.90 rr_1xy4 1
28 1 . . . . . . . . 2.80 rr_1xy4 1
29 1 . . . . . . . . 2.83 rr_1xy4 1
30 1 . . . . . . . . 2.83 rr_1xy4 1
31 2 . . . . . . . . 2.57 rr_1xy4 1
31 3 . . . . . . . . 2.57 rr_1xy4 1
32 1 . . . . . . . . 2.80 rr_1xy4 1
33 1 . . . . . . . . 2.90 rr_1xy4 1
34 1 . . . . . . . . 2.90 rr_1xy4 1
35 2 . . . . . . . . 2.70 rr_1xy4 1
35 3 . . . . . . . . 2.70 rr_1xy4 1
36 2 . . . . . . . . 5.54 rr_1xy4 1
36 3 . . . . . . . . 5.54 rr_1xy4 1
37 1 . . . . . . . . 7.64 rr_1xy4 1
38 1 . . . . . . . . 7.64 rr_1xy4 1
39 2 . . . . . . . . 8.52 rr_1xy4 1
39 3 . . . . . . . . 8.52 rr_1xy4 1
40 2 . . . . . . . . 8.52 rr_1xy4 1
40 3 . . . . . . . . 8.52 rr_1xy4 1
41 1 . . . . . . . . 7.63 rr_1xy4 1
42 1 . . . . . . . . 7.63 rr_1xy4 1
43 1 . . . . . . . . 7.63 rr_1xy4 1
44 2 . . . . . . . . 8.51 rr_1xy4 1
44 3 . . . . . . . . 8.51 rr_1xy4 1
45 2 . . . . . . . . 8.51 rr_1xy4 1
45 3 . . . . . . . . 8.51 rr_1xy4 1
46 2 . . . . . . . . 7.40 rr_1xy4 1
46 3 . . . . . . . . 7.40 rr_1xy4 1
47 1 . . . . . . . . 2.52 rr_1xy4 1
48 2 . . . . . . . . 2.62 rr_1xy4 1
48 3 . . . . . . . . 2.62 rr_1xy4 1
49 1 . . . . . . . . 4.63 rr_1xy4 1
50 1 . . . . . . . . 5.47 rr_1xy4 1
51 1 . . . . . . . . 5.47 rr_1xy4 1
52 1 . . . . . . . . 2.56 rr_1xy4 1
53 2 . . . . . . . . 4.45 rr_1xy4 1
53 3 . . . . . . . . 4.45 rr_1xy4 1
54 2 . . . . . . . . 4.84 rr_1xy4 1
54 3 . . . . . . . . 4.84 rr_1xy4 1
55 1 . . . . . . . . 5.50 rr_1xy4 1
56 1 . . . . . . . . 4.54 rr_1xy4 1
57 1 . . . . . . . . 5.50 rr_1xy4 1
58 1 . . . . . . . . 4.54 rr_1xy4 1
59 1 . . . . . . . . 4.11 rr_1xy4 1
60 1 . . . . . . . . 2.90 rr_1xy4 1
61 1 . . . . . . . . 3.70 rr_1xy4 1
62 1 . . . . . . . . 3.70 rr_1xy4 1
63 2 . . . . . . . . 3.15 rr_1xy4 1
63 3 . . . . . . . . 3.15 rr_1xy4 1
64 1 . . . . . . . . 5.47 rr_1xy4 1
65 2 . . . . . . . . 5.73 rr_1xy4 1
65 3 . . . . . . . . 5.73 rr_1xy4 1
66 2 . . . . . . . . 6.19 rr_1xy4 1
66 3 . . . . . . . . 6.19 rr_1xy4 1
67 2 . . . . . . . . 4.05 rr_1xy4 1
67 3 . . . . . . . . 4.05 rr_1xy4 1
68 2 . . . . . . . . 6.38 rr_1xy4 1
68 3 . . . . . . . . 6.38 rr_1xy4 1
69 1 . . . . . . . . 3.67 rr_1xy4 1
70 1 . . . . . . . . 3.67 rr_1xy4 1
71 2 . . . . . . . . 5.57 rr_1xy4 1
71 3 . . . . . . . . 5.57 rr_1xy4 1
72 2 . . . . . . . . 3.49 rr_1xy4 1
72 3 . . . . . . . . 3.49 rr_1xy4 1
73 2 . . . . . . . . 6.38 rr_1xy4 1
73 3 . . . . . . . . 6.38 rr_1xy4 1
74 1 . . . . . . . . 2.83 rr_1xy4 1
75 2 . . . . . . . . 6.38 rr_1xy4 1
75 3 . . . . . . . . 6.38 rr_1xy4 1
76 1 . . . . . . . . 3.24 rr_1xy4 1
77 1 . . . . . . . . 3.08 rr_1xy4 1
78 1 . . . . . . . . 3.08 rr_1xy4 1
79 2 . . . . . . . . 3.40 rr_1xy4 1
79 3 . . . . . . . . 3.40 rr_1xy4 1
80 2 . . . . . . . . 4.89 rr_1xy4 1
80 3 . . . . . . . . 4.89 rr_1xy4 1
81 2 . . . . . . . . 5.11 rr_1xy4 1
81 3 . . . . . . . . 5.11 rr_1xy4 1
82 2 . . . . . . . . 4.65 rr_1xy4 1
82 3 . . . . . . . . 4.65 rr_1xy4 1
82 4 . . . . . . . . 4.65 rr_1xy4 1
82 5 . . . . . . . . 4.65 rr_1xy4 1
83 2 . . . . . . . . 8.50 rr_1xy4 1
83 3 . . . . . . . . 8.50 rr_1xy4 1
84 2 . . . . . . . . 8.03 rr_1xy4 1
84 3 . . . . . . . . 8.03 rr_1xy4 1
85 2 . . . . . . . . 8.50 rr_1xy4 1
85 3 . . . . . . . . 8.50 rr_1xy4 1
86 2 . . . . . . . . 8.50 rr_1xy4 1
86 3 . . . . . . . . 8.50 rr_1xy4 1
87 2 . . . . . . . . 8.50 rr_1xy4 1
87 3 . . . . . . . . 8.50 rr_1xy4 1
88 2 . . . . . . . . 8.50 rr_1xy4 1
88 3 . . . . . . . . 8.50 rr_1xy4 1
89 2 . . . . . . . . 8.50 rr_1xy4 1
89 3 . . . . . . . . 8.50 rr_1xy4 1
90 2 . . . . . . . . 8.50 rr_1xy4 1
90 3 . . . . . . . . 8.50 rr_1xy4 1
91 2 . . . . . . . . 6.28 rr_1xy4 1
91 3 . . . . . . . . 6.28 rr_1xy4 1
92 1 . . . . . . . . 5.50 rr_1xy4 1
93 1 . . . . . . . . 5.38 rr_1xy4 1
94 1 . . . . . . . . 5.50 rr_1xy4 1
95 1 . . . . . . . . 7.62 rr_1xy4 1
96 1 . . . . . . . . 7.62 rr_1xy4 1
97 1 . . . . . . . . 5.50 rr_1xy4 1
98 1 . . . . . . . . 7.62 rr_1xy4 1
99 1 . . . . . . . . 7.62 rr_1xy4 1
100 1 . . . . . . . . 4.14 rr_1xy4 1
101 1 . . . . . . . . 4.14 rr_1xy4 1
102 2 . . . . . . . . 3.61 rr_1xy4 1
102 3 . . . . . . . . 3.61 rr_1xy4 1
103 1 . . . . . . . . 6.53 rr_1xy4 1
104 2 . . . . . . . . 4.45 rr_1xy4 1
104 3 . . . . . . . . 4.45 rr_1xy4 1
105 2 . . . . . . . . 4.99 rr_1xy4 1
105 3 . . . . . . . . 4.99 rr_1xy4 1
106 2 . . . . . . . . 8.50 rr_1xy4 1
106 3 . . . . . . . . 8.50 rr_1xy4 1
107 1 . . . . . . . . 8.65 rr_1xy4 1
108 2 . . . . . . . . 8.50 rr_1xy4 1
108 3 . . . . . . . . 8.50 rr_1xy4 1
109 2 . . . . . . . . 8.50 rr_1xy4 1
109 3 . . . . . . . . 8.50 rr_1xy4 1
110 1 . . . . . . . . 8.65 rr_1xy4 1
111 1 . . . . . . . . 4.45 rr_1xy4 1
112 1 . . . . . . . . 5.38 rr_1xy4 1
113 1 . . . . . . . . 4.63 rr_1xy4 1
114 1 . . . . . . . . 6.00 rr_1xy4 1
115 1 . . . . . . . . 3.11 rr_1xy4 1
116 1 . . . . . . . . 5.23 rr_1xy4 1
117 1 . . . . . . . . 2.90 rr_1xy4 1
118 1 . . . . . . . . 3.43 rr_1xy4 1
119 1 . . . . . . . . 3.11 rr_1xy4 1
120 2 . . . . . . . . 5.51 rr_1xy4 1
120 3 . . . . . . . . 5.51 rr_1xy4 1
121 1 . . . . . . . . 7.62 rr_1xy4 1
122 1 . . . . . . . . 3.33 rr_1xy4 1
123 1 . . . . . . . . 7.62 rr_1xy4 1
124 2 . . . . . . . . 5.14 rr_1xy4 1
124 3 . . . . . . . . 5.14 rr_1xy4 1
125 2 . . . . . . . . 5.07 rr_1xy4 1
125 3 . . . . . . . . 5.07 rr_1xy4 1
126 1 . . . . . . . . 3.11 rr_1xy4 1
127 1 . . . . . . . . 3.49 rr_1xy4 1
128 1 . . . . . . . . 6.37 rr_1xy4 1
129 1 . . . . . . . . 5.38 rr_1xy4 1
130 1 . . . . . . . . 6.53 rr_1xy4 1
131 1 . . . . . . . . 5.54 rr_1xy4 1
132 2 . . . . . . . . 5.64 rr_1xy4 1
132 3 . . . . . . . . 5.64 rr_1xy4 1
133 1 . . . . . . . . 7.41 rr_1xy4 1
134 1 . . . . . . . . 8.62 rr_1xy4 1
135 1 . . . . . . . . 2.74 rr_1xy4 1
136 2 . . . . . . . . 2.65 rr_1xy4 1
136 3 . . . . . . . . 2.65 rr_1xy4 1
137 1 . . . . . . . . 3.70 rr_1xy4 1
138 1 . . . . . . . . 3.70 rr_1xy4 1
139 1 . . . . . . . . 5.50 rr_1xy4 1
140 1 . . . . . . . . 2.93 rr_1xy4 1
141 1 . . . . . . . . 3.48 rr_1xy4 1
142 1 . . . . . . . . 3.48 rr_1xy4 1
143 2 . . . . . . . . 3.17 rr_1xy4 1
143 3 . . . . . . . . 3.17 rr_1xy4 1
144 2 . . . . . . . . 5.04 rr_1xy4 1
144 3 . . . . . . . . 5.04 rr_1xy4 1
145 2 . . . . . . . . 3.28 rr_1xy4 1
145 3 . . . . . . . . 3.28 rr_1xy4 1
146 2 . . . . . . . . 8.50 rr_1xy4 1
146 3 . . . . . . . . 8.50 rr_1xy4 1
147 2 . . . . . . . . 8.50 rr_1xy4 1
147 3 . . . . . . . . 8.50 rr_1xy4 1
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" rr_1xy4 1
2 2 82 1 "Not handling restraint 82, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" rr_1xy4 1
3 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .4.QB' (nmrStar names) not linked" rr_1xy4 1
4 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" rr_1xy4 1
5 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" rr_1xy4 1
6 2 91 1 "Not handling restraint 91, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" rr_1xy4 1
7 2 91 1 "Not handling restraint 91, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" rr_1xy4 1
8 2 93 1 "Not handling restraint 93, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" rr_1xy4 1
9 2 93 1 "Not handling restraint 93, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" rr_1xy4 1
10 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
11 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
12 2 99 1 "Not handling restraint 99, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
13 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
14 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
15 2 101 1 "Not handling restraint 101, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
16 2 101 1 "Not handling restraint 101, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
17 2 102 1 "Not handling restraint 102, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
18 2 102 1 "Not handling restraint 102, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
19 2 103 1 "Not handling restraint 103, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
20 2 104 1 "Not handling restraint 104, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
21 2 104 1 "Not handling restraint 104, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
22 2 105 1 "Not handling restraint 105, item 1, resonance(s) ' .4.QB' (nmrStar names),' .4.HA' (nmrStar names) not linked" rr_1xy4 1
23 2 106 1 "Not handling restraint 106, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.QG' (nmrStar names) not linked" rr_1xy4 1
24 2 107 1 "Not handling restraint 107, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
25 2 108 1 "Not handling restraint 108, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
26 2 109 1 "Not handling restraint 109, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_1xy4 1
27 2 110 1 "Not handling restraint 110, item 1, resonance(s) ' .4.HB2' (nmrStar names) not linked" rr_1xy4 1
28 2 111 1 "Not handling restraint 111, item 1, resonance(s) ' .4.HB2' (nmrStar names) not linked" rr_1xy4 1
29 2 112 1 "Not handling restraint 112, item 1, resonance(s) ' .4.HB2' (nmrStar names),' .7.QD' (nmrStar names) not linked" rr_1xy4 1
30 2 113 1 "Not handling restraint 113, item 1, resonance(s) ' .4.HB2' (nmrStar names),' .7.QE' (nmrStar names) not linked" rr_1xy4 1
31 2 114 1 "Not handling restraint 114, item 1, resonance(s) ' .4.HB2' (nmrStar names) not linked" rr_1xy4 1
32 2 115 1 "Not handling restraint 115, item 1, resonance(s) ' .4.HB3' (nmrStar names) not linked" rr_1xy4 1
33 2 116 1 "Not handling restraint 116, item 1, resonance(s) ' .4.HB3' (nmrStar names) not linked" rr_1xy4 1
34 2 117 1 "Not handling restraint 117, item 1, resonance(s) ' .7.QD' (nmrStar names),' .4.HB3' (nmrStar names) not linked" rr_1xy4 1
35 2 118 1 "Not handling restraint 118, item 1, resonance(s) ' .7.QE' (nmrStar names),' .4.HB3' (nmrStar names) not linked" rr_1xy4 1
36 2 119 1 "Not handling restraint 119, item 1, resonance(s) ' .4.HB3' (nmrStar names) not linked" rr_1xy4 1
37 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HB2' (nmrStar names) not linked" rr_1xy4 1
38 2 121 1 "Not handling restraint 121, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HB3' (nmrStar names) not linked" rr_1xy4 1
39 2 122 1 "Not handling restraint 122, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.QB' (nmrStar names) not linked" rr_1xy4 1
40 2 123 1 "Not handling restraint 123, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.QG' (nmrStar names) not linked" rr_1xy4 1
41 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" rr_1xy4 1
42 2 125 1 "Not handling restraint 125, item 1, resonance(s) ' .4.QB' (nmrStar names) not linked" rr_1xy4 1
43 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .4.QB' (nmrStar names) not linked" rr_1xy4 1
44 2 127 1 "Not handling restraint 127, item 1, resonance(s) ' .4.QB' (nmrStar names) not linked" rr_1xy4 1
45 2 128 1 "Not handling restraint 128, item 1, resonance(s) ' .4.QG' (nmrStar names) not linked" rr_1xy4 1
46 2 129 1 "Not handling restraint 129, item 1, resonance(s) ' .4.QG' (nmrStar names) not linked" rr_1xy4 1
47 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .4.QG' (nmrStar names),' .7.QE' (nmrStar names) not linked" rr_1xy4 1
48 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .4.QG' (nmrStar names) not linked" rr_1xy4 1
49 2 134 1 "Not handling restraint 134, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
50 2 136 1 "Not handling restraint 136, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
51 2 140 1 "Not handling restraint 140, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
52 2 149 1 "Not handling restraint 149, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
53 2 149 1 "Not handling restraint 149, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
54 2 152 1 "Not handling restraint 152, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
55 2 159 1 "Not handling restraint 159, item 1, resonance(s) ' .6.QB' (nmrStar names) not linked" rr_1xy4 1
56 2 160 1 "Not handling restraint 160, item 1, resonance(s) ' .7.QD' (nmrStar names) not linked" rr_1xy4 1
57 2 163 1 "Not handling restraint 163, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_1xy4 1
58 2 164 1 "Not handling restraint 164, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_1xy4 1
59 2 165 1 "Not handling restraint 165, item 1, resonance(s) ' .7.QK' (nmrStar names) not linked" rr_1xy4 1
60 2 166 1 "Not handling restraint 166, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_1xy4 1
61 2 167 1 "Not handling restraint 167, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
62 2 168 1 "Not handling restraint 168, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
63 2 169 1 "Not handling restraint 169, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
64 2 170 1 "Not handling restraint 170, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1xy4 1
65 2 171 1 "Not handling restraint 171, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.QB' (nmrStar names) not linked" rr_1xy4 1
66 2 172 1 "Not handling restraint 172, item 1, resonance(s) ' .6.HN' (nmrStar names),' .7.HN' (nmrStar names) not linked" rr_1xy4 1
67 2 173 1 "Not handling restraint 173, item 1, resonance(s) ' .6.QB' (nmrStar names) not linked" rr_1xy4 1
68 2 174 1 "Not handling restraint 174, item 1, resonance(s) ' .6.QB' (nmrStar names),' .7.HN' (nmrStar names) not linked" rr_1xy4 1
69 2 175 1 "Not handling restraint 175, item 1, resonance(s) ' .7.QD' (nmrStar names),' .6.QB' (nmrStar names) not linked" rr_1xy4 1
70 2 176 1 "Not handling restraint 176, item 1, resonance(s) ' .7.QE' (nmrStar names),' .6.QB' (nmrStar names) not linked" rr_1xy4 1
71 2 177 1 "Not handling restraint 177, item 1, resonance(s) ' .7.HB2' (nmrStar names) not linked" rr_1xy4 1
72 2 178 1 "Not handling restraint 178, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_1xy4 1
73 2 181 1 "Not handling restraint 181, item 1, resonance(s) ' .7.HB2' (nmrStar names) not linked" rr_1xy4 1
74 2 182 1 "Not handling restraint 182, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_1xy4 1
75 2 183 1 "Not handling restraint 183, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_1xy4 1
76 2 184 1 "Not handling restraint 184, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.HB2' (nmrStar names) not linked" rr_1xy4 1
77 2 185 1 "Not handling restraint 185, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.HB3' (nmrStar names) not linked" rr_1xy4 1
78 2 186 1 "Not handling restraint 186, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.QB' (nmrStar names) not linked" rr_1xy4 1
79 2 187 1 "Not handling restraint 187, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_1xy4 1
80 2 188 1 "Not handling restraint 188, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_1xy4 1
81 2 189 1 "Not handling restraint 189, item 1, resonance(s) ' .7.QD' (nmrStar names) not linked" rr_1xy4 1
82 2 189 1 "Not handling restraint 189, item 1, resonance(s) ' .7.QD' (nmrStar names) not linked" rr_1xy4 1
83 2 190 1 "Not handling restraint 190, item 1, resonance(s) ' .7.QD' (nmrStar names),' .7.QK' (nmrStar names) not linked" rr_1xy4 1
84 2 191 1 "Not handling restraint 191, item 1, resonance(s) ' .7.QD' (nmrStar names) not linked" rr_1xy4 1
85 2 192 1 "Not handling restraint 192, item 1, resonance(s) ' .7.QE' (nmrStar names) not linked" rr_1xy4 1
86 2 192 1 "Not handling restraint 192, item 1, resonance(s) ' .7.QE' (nmrStar names) not linked" rr_1xy4 1
87 2 193 1 "Not handling restraint 193, item 1, resonance(s) ' .7.QE' (nmrStar names) not linked" rr_1xy4 1
88 2 194 1 "Not handling restraint 194, item 1, resonance(s) ' .7.QE' (nmrStar names),' .7.QK' (nmrStar names) not linked" rr_1xy4 1
89 2 195 1 "Not handling restraint 195, item 1, resonance(s) ' .7.QE' (nmrStar names) not linked" rr_1xy4 1
90 2 196 1 "Not handling restraint 196, item 1, resonance(s) ' .7.QK' (nmrStar names) not linked" rr_1xy4 1
91 2 197 1 "Not handling restraint 197, item 1, resonance(s) ' .7.QK' (nmrStar names) not linked" rr_1xy4 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_1xy4
_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 HORMONE/GROWTH FACTOR 09-NOV-04 1XY4 *TITLE NMR STRCUTRE OF SST1-SELECTIVE SOMATOSTATIN (SRIF) ANALOG 1 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: SST1-SELECTIVE SOMATOSATIN ANALOG; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: SRIF; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: PEPTIDE SYNTHESISED USING SOLID PHASE *SOURCE 4 APPROACH EITHER MANUALLY OR ON A CS-BIOPEPTIDE SYNTHESIZER *SOURCE 5 MODEL CS536 *KEYWDS GAMMA TURN *EXPDTA NMR, 10 STRUCTURES *AUTHOR C.R.R.GRACE, L.DURRER, S.C.KOERBER, J.ERCHEGYI, J.C.REUBI, *AUTHOR 2 J.E.RIVIER, R.RIEK *REVDAT 1 15-FEB-05 1XY4 0"
save_
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