NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
566704 |
2md2   |
19469 | cing | 3-converted-DOCR | STAR | entry | full | 117 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_2md2
# This DOCR archive file contains, for PDB entry <2md2>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process, minor modifications could
# have occurred to the NMR restraints information, or data could have been lost
# because of parsing or conversion errors. The PDB file remains the
# authoritative reference for the atomic coordinates and the originally deposited
# restraints files remain the primary reference for these data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_2md2
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2md2"
_Entry.Version_type original
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 2md2"
_Entry.PDB_coordinate_file_version 3.20
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2md2 "Master copy" rr_2md2
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2md2
_Assembly.ID 1
_Assembly.Name 2md2
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1231.4769
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 Lactotransferrin 1 $Lactotransferrin A . no . . . . . . rr_2md2 1
stop_
save_
save_Lactotransferrin
_Entity.Sf_category entity
_Entity.Sf_framecode Lactotransferrin
_Entity.Entry_ID rr_2md2
_Entity.ID 1
_Entity.Name Lactotransferrin
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code WKLLSKAQEK
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 10
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 1231.4769
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . TRP . rr_2md2 1
2 . LYS . rr_2md2 1
3 . LEU . rr_2md2 1
4 . LEU . rr_2md2 1
5 . SER . rr_2md2 1
6 . LYS . rr_2md2 1
7 . ALA . rr_2md2 1
8 . GLN . rr_2md2 1
9 . GLU . rr_2md2 1
10 . LYS . rr_2md2 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. TRP 1 1 rr_2md2 1
. LYS 2 2 rr_2md2 1
. LEU 3 3 rr_2md2 1
. LEU 4 4 rr_2md2 1
. SER 5 5 rr_2md2 1
. LYS 6 6 rr_2md2 1
. ALA 7 7 rr_2md2 1
. GLN 8 8 rr_2md2 1
. GLU 9 9 rr_2md2 1
. LYS 10 10 rr_2md2 1
stop_
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_2md2
_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_2md2
_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_2md2 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_2md2 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
. 1 . 1 . 1 1 1 TRP C C 3.063 1.175 -1.284 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_2md2 1
. 1 . 2 . 1 1 1 TRP CA C 2.092 0.000 -1.242 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_2md2 1
. 1 . 3 . 1 1 1 TRP CB C 1.149 0.059 -2.445 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_2md2 1
. 1 . 4 . 1 1 1 TRP CD1 C 3.005 -0.932 -3.908 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_2md2 1
. 1 . 5 . 1 1 1 TRP CD2 C 1.347 0.039 -5.058 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_2md2 1
. 1 . 6 . 1 1 1 TRP CE2 C 2.295 -0.461 -5.972 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_2md2 1
. 1 . 7 . 1 1 1 TRP CE3 C 0.214 0.691 -5.552 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_2md2 1
. 1 . 8 . 1 1 1 TRP CG C 1.820 -0.274 -3.743 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_2md2 1
. 1 . 9 . 1 1 1 TRP CH2 C 1.024 0.315 -7.805 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_2md2 1
. 1 . 10 . 1 1 1 TRP CZ2 C 2.142 -0.327 -7.349 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_2md2 1
. 1 . 11 . 1 1 1 TRP CZ3 C 0.064 0.823 -6.919 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_2md2 1
. 1 . 12 . 1 1 1 TRP H1 H 1.807 0.000 0.856 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_2md2 1
. 1 . 13 . 1 1 1 TRP HA H 2.656 -0.920 -1.283 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_2md2 1
. 1 . 14 . 1 1 1 TRP HB2 H 0.343 -0.644 -2.297 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_2md2 1
. 1 . 15 . 1 1 1 TRP HB3 H 0.742 1.056 -2.525 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_2md2 1
. 1 . 16 . 1 1 1 TRP HD1 H 3.614 -1.301 -3.096 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_2md2 1
. 1 . 17 . 1 1 1 TRP HE1 H 4.093 -1.482 -5.619 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_2md2 1
. 1 . 18 . 1 1 1 TRP HE3 H -0.537 1.089 -4.884 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_2md2 1
. 1 . 19 . 1 1 1 TRP HH2 H 0.866 0.442 -8.865 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_2md2 1
. 1 . 20 . 1 1 1 TRP HZ2 H 2.873 -0.714 -8.045 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_2md2 1
. 1 . 21 . 1 1 1 TRP HZ3 H -0.805 1.325 -7.319 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_2md2 1
. 1 . 22 . 1 1 1 TRP N N 1.328 0.000 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_2md2 1
. 1 . 23 . 1 1 1 TRP NE1 N 3.297 -1.048 -5.246 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_2md2 1
. 1 . 24 . 1 1 1 TRP O O 2.713 2.297 -0.918 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_2md2 1
. 1 . 25 . 1 1 2 LYS C C 4.781 3.166 -2.575 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2md2 1
. 1 . 26 . 1 1 2 LYS CA C 5.308 1.946 -1.825 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2md2 1
. 1 . 27 . 1 1 2 LYS CB C 6.554 1.401 -2.527 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2md2 1
. 1 . 28 . 1 1 2 LYS CD C 6.995 0.091 -0.429 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2md2 1
. 1 . 29 . 1 1 2 LYS CE C 7.647 -1.153 0.155 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2md2 1
. 1 . 30 . 1 1 2 LYS CG C 7.052 0.089 -1.948 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2md2 1
. 1 . 31 . 1 1 2 LYS H H 4.505 -0.004 -2.011 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2md2 1
. 1 . 32 . 1 1 2 LYS HA H 5.571 2.242 -0.821 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2md2 1
. 1 . 33 . 1 1 2 LYS HB2 H 6.326 1.247 -3.571 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2md2 1
. 1 . 34 . 1 1 2 LYS HB3 H 7.347 2.131 -2.444 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2md2 1
. 1 . 35 . 1 1 2 LYS HD2 H 7.513 0.963 -0.059 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2md2 1
. 1 . 36 . 1 1 2 LYS HD3 H 5.960 0.125 -0.117 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2md2 1
. 1 . 37 . 1 1 2 LYS HE2 H 7.073 -2.017 -0.141 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2md2 1
. 1 . 38 . 1 1 2 LYS HE3 H 8.650 -1.235 -0.236 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2md2 1
. 1 . 39 . 1 1 2 LYS HG2 H 6.435 -0.716 -2.319 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2md2 1
. 1 . 40 . 1 1 2 LYS HG3 H 8.076 -0.066 -2.260 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2md2 1
. 1 . 41 . 1 1 2 LYS HZ1 H 6.956 -0.484 2.010 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2md2 1
. 1 . 42 . 1 1 2 LYS HZ2 H 8.630 -0.723 1.947 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2md2 1
. 1 . 43 . 1 1 2 LYS HZ3 H 7.590 -2.052 2.039 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2md2 1
. 1 . 44 . 1 1 2 LYS N N 4.285 0.911 -1.733 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2md2 1
. 1 . 45 . 1 1 2 LYS NZ N 7.710 -1.099 1.642 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2md2 1
. 1 . 46 . 1 1 2 LYS O O 4.977 4.304 -2.146 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2md2 1
. 1 . 47 . 1 1 3 LEU C C 2.397 4.680 -3.784 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . rr_2md2 1
. 1 . 48 . 1 1 3 LEU CA C 3.556 4.000 -4.506 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . rr_2md2 1
. 1 . 49 . 1 1 3 LEU CB C 3.083 3.458 -5.857 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . rr_2md2 1
. 1 . 50 . 1 1 3 LEU CD1 C 5.480 2.861 -6.282 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . rr_2md2 1
. 1 . 51 . 1 1 3 LEU CD2 C 3.726 2.251 -7.958 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . rr_2md2 1
. 1 . 52 . 1 1 3 LEU CG C 4.165 3.276 -6.922 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . rr_2md2 1
. 1 . 53 . 1 1 3 LEU H H 3.989 1.994 -3.987 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . rr_2md2 1
. 1 . 54 . 1 1 3 LEU HA H 4.337 4.726 -4.672 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . rr_2md2 1
. 1 . 55 . 1 1 3 LEU HB2 H 2.623 2.498 -5.685 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . rr_2md2 1
. 1 . 56 . 1 1 3 LEU HB3 H 2.345 4.145 -6.247 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . rr_2md2 1
. 1 . 57 . 1 1 3 LEU HD11 H 6.239 2.772 -7.044 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . rr_2md2 1
. 1 . 58 . 1 1 3 LEU HD12 H 5.354 1.909 -5.787 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . rr_2md2 1
. 1 . 59 . 1 1 3 LEU HD13 H 5.780 3.605 -5.559 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . rr_2md2 1
. 1 . 60 . 1 1 3 LEU HD21 H 4.142 1.287 -7.708 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . rr_2md2 1
. 1 . 61 . 1 1 3 LEU HD22 H 4.077 2.553 -8.933 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . rr_2md2 1
. 1 . 62 . 1 1 3 LEU HD23 H 2.647 2.188 -7.966 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . rr_2md2 1
. 1 . 63 . 1 1 3 LEU HG H 4.324 4.218 -7.429 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . rr_2md2 1
. 1 . 64 . 1 1 3 LEU N N 4.112 2.921 -3.696 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . rr_2md2 1
. 1 . 65 . 1 1 3 LEU O O 2.000 5.792 -4.135 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . rr_2md2 1
. 1 . 66 . 1 1 4 LEU C C 1.236 5.139 -0.682 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2md2 1
. 1 . 67 . 1 1 4 LEU CA C 0.747 4.547 -2.000 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2md2 1
. 1 . 68 . 1 1 4 LEU CB C -0.289 3.454 -1.727 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2md2 1
. 1 . 69 . 1 1 4 LEU CD1 C -1.369 4.005 0.467 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2md2 1
. 1 . 70 . 1 1 4 LEU CD2 C -2.043 5.240 -1.602 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2md2 1
. 1 . 71 . 1 1 4 LEU CG C -1.576 3.906 -1.037 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2md2 1
. 1 . 72 . 1 1 4 LEU H H 2.218 3.125 -2.541 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2md2 1
. 1 . 73 . 1 1 4 LEU HA H 0.286 5.330 -2.584 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2md2 1
. 1 . 74 . 1 1 4 LEU HB2 H -0.559 3.011 -2.673 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2md2 1
. 1 . 75 . 1 1 4 LEU HB3 H 0.178 2.706 -1.101 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2md2 1
. 1 . 76 . 1 1 4 LEU HD11 H -1.614 5.003 0.799 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2md2 1
. 1 . 77 . 1 1 4 LEU HD12 H -0.338 3.790 0.703 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2md2 1
. 1 . 78 . 1 1 4 LEU HD13 H -2.009 3.292 0.965 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2md2 1
. 1 . 79 . 1 1 4 LEU HD21 H -2.163 5.156 -2.671 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2md2 1
. 1 . 80 . 1 1 4 LEU HD22 H -1.310 6.001 -1.379 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2md2 1
. 1 . 81 . 1 1 4 LEU HD23 H -2.989 5.509 -1.153 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2md2 1
. 1 . 82 . 1 1 4 LEU HG H -2.351 3.175 -1.219 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2md2 1
. 1 . 83 . 1 1 4 LEU N N 1.859 4.006 -2.773 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2md2 1
. 1 . 84 . 1 1 4 LEU O O 0.577 5.995 -0.092 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2md2 1
. 1 . 85 . 1 1 5 SER C C 4.001 6.264 0.754 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2md2 1
. 1 . 86 . 1 1 5 SER CA C 2.976 5.164 1.020 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2md2 1
. 1 . 87 . 1 1 5 SER CB C 3.634 4.012 1.782 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2md2 1
. 1 . 88 . 1 1 5 SER H H 2.877 3.998 -0.745 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2md2 1
. 1 . 89 . 1 1 5 SER HA H 2.176 5.571 1.620 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . rr_2md2 1
. 1 . 90 . 1 1 5 SER HB2 H 4.423 3.589 1.179 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2md2 1
. 1 . 91 . 1 1 5 SER HB3 H 4.049 4.387 2.707 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2md2 1
. 1 . 92 . 1 1 5 SER HG H 3.152 2.164 2.218 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . rr_2md2 1
. 1 . 93 . 1 1 5 SER N N 2.399 4.681 -0.229 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2md2 1
. 1 . 94 . 1 1 5 SER O O 4.328 7.051 1.642 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . rr_2md2 1
. 1 . 95 . 1 1 5 SER OG O 2.693 2.996 2.081 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . rr_2md2 1
. 1 . 96 . 1 1 6 LYS C C 5.011 8.715 -0.498 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . rr_2md2 1
. 1 . 97 . 1 1 6 LYS CA C 5.489 7.313 -0.861 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . rr_2md2 1
. 1 . 98 . 1 1 6 LYS CB C 5.769 7.231 -2.363 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . rr_2md2 1
. 1 . 99 . 1 1 6 LYS CD C 7.566 5.655 -3.136 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . rr_2md2 1
. 1 . 100 . 1 1 6 LYS CE C 8.180 4.849 -2.002 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . rr_2md2 1
. 1 . 101 . 1 1 6 LYS CG C 7.242 7.074 -2.699 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . rr_2md2 1
. 1 . 102 . 1 1 6 LYS H H 4.202 5.656 -1.140 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . rr_2md2 1
. 1 . 103 . 1 1 6 LYS HA H 6.401 7.106 -0.321 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . rr_2md2 1
. 1 . 104 . 1 1 6 LYS HB2 H 5.236 6.385 -2.771 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . rr_2md2 1
. 1 . 105 . 1 1 6 LYS HB3 H 5.408 8.134 -2.834 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . rr_2md2 1
. 1 . 106 . 1 1 6 LYS HD2 H 6.657 5.169 -3.456 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . rr_2md2 1
. 1 . 107 . 1 1 6 LYS HD3 H 8.266 5.692 -3.959 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . rr_2md2 1
. 1 . 108 . 1 1 6 LYS HE2 H 7.481 4.819 -1.180 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . rr_2md2 1
. 1 . 109 . 1 1 6 LYS HE3 H 8.368 3.845 -2.352 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . rr_2md2 1
. 1 . 110 . 1 1 6 LYS HG2 H 7.493 7.752 -3.502 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . rr_2md2 1
. 1 . 111 . 1 1 6 LYS HG3 H 7.829 7.315 -1.825 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . rr_2md2 1
. 1 . 112 . 1 1 6 LYS HZ1 H 9.975 5.869 -2.325 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . rr_2md2 1
. 1 . 113 . 1 1 6 LYS HZ2 H 10.056 4.711 -1.094 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . rr_2md2 1
. 1 . 114 . 1 1 6 LYS HZ3 H 9.270 6.184 -0.820 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . rr_2md2 1
. 1 . 115 . 1 1 6 LYS N N 4.503 6.311 -0.475 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . rr_2md2 1
. 1 . 116 . 1 1 6 LYS NZ N 9.460 5.445 -1.527 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . rr_2md2 1
. 1 . 117 . 1 1 6 LYS O O 5.816 9.626 -0.308 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . rr_2md2 1
. 1 . 118 . 1 1 7 ALA C C 3.552 10.622 1.329 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . rr_2md2 1
. 1 . 119 . 1 1 7 ALA CA C 3.110 10.170 -0.059 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . rr_2md2 1
. 1 . 120 . 1 1 7 ALA CB C 1.592 10.098 -0.135 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . rr_2md2 1
. 1 . 121 . 1 1 7 ALA H H 3.105 8.116 -0.566 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . rr_2md2 1
. 1 . 122 . 1 1 7 ALA HA H 3.448 10.894 -0.787 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . rr_2md2 1
. 1 . 123 . 1 1 7 ALA HB1 H 1.164 10.804 0.562 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . rr_2md2 1
. 1 . 124 . 1 1 7 ALA HB2 H 1.270 10.340 -1.136 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . rr_2md2 1
. 1 . 125 . 1 1 7 ALA HB3 H 1.267 9.100 0.118 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . rr_2md2 1
. 1 . 126 . 1 1 7 ALA N N 3.695 8.880 -0.403 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . rr_2md2 1
. 1 . 127 . 1 1 7 ALA O O 3.595 11.817 1.617 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . rr_2md2 1
. 1 . 128 . 1 1 8 GLN C C 5.778 9.570 3.741 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2md2 1
. 1 . 129 . 1 1 8 GLN CA C 4.316 9.957 3.541 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2md2 1
. 1 . 130 . 1 1 8 GLN CB C 3.438 9.223 4.556 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2md2 1
. 1 . 131 . 1 1 8 GLN CD C 2.422 7.024 5.276 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2md2 1
. 1 . 132 . 1 1 8 GLN CG C 3.161 7.775 4.185 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2md2 1
. 1 . 133 . 1 1 8 GLN H H 3.824 8.724 1.894 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2md2 1
. 1 . 134 . 1 1 8 GLN HA H 4.215 11.021 3.695 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2md2 1
. 1 . 135 . 1 1 8 GLN HB2 H 3.930 9.238 5.517 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2md2 1
. 1 . 136 . 1 1 8 GLN HB3 H 2.493 9.738 4.636 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2md2 1
. 1 . 137 . 1 1 8 GLN HE21 H 0.899 6.685 4.044 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2md2 1
. 1 . 138 . 1 1 8 GLN HE22 H 0.731 6.046 5.641 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2md2 1
. 1 . 139 . 1 1 8 GLN HG2 H 2.562 7.755 3.287 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2md2 1
. 1 . 140 . 1 1 8 GLN HG3 H 4.102 7.278 4.000 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2md2 1
. 1 . 141 . 1 1 8 GLN N N 3.879 9.658 2.183 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2md2 1
. 1 . 142 . 1 1 8 GLN NE2 N 1.230 6.536 4.955 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2md2 1
. 1 . 143 . 1 1 8 GLN O O 6.337 9.757 4.821 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2md2 1
. 1 . 144 . 1 1 8 GLN OE1 O 2.918 6.885 6.394 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2md2 1
. 1 . 145 . 1 1 9 GLU C C 8.641 9.434 1.792 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . rr_2md2 1
. 1 . 146 . 1 1 9 GLU CA C 7.786 8.613 2.754 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . rr_2md2 1
. 1 . 147 . 1 1 9 GLU CB C 7.914 7.125 2.424 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . rr_2md2 1
. 1 . 148 . 1 1 9 GLU CD C 10.317 6.858 3.156 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . rr_2md2 1
. 1 . 149 . 1 1 9 GLU CG C 8.887 6.383 3.325 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . rr_2md2 1
. 1 . 150 . 1 1 9 GLU H H 5.891 8.905 1.858 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . rr_2md2 1
. 1 . 151 . 1 1 9 GLU HA H 8.138 8.781 3.761 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . rr_2md2 1
. 1 . 152 . 1 1 9 GLU HB2 H 6.943 6.662 2.519 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . rr_2md2 1
. 1 . 153 . 1 1 9 GLU HB3 H 8.253 7.023 1.403 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . rr_2md2 1
. 1 . 154 . 1 1 9 GLU HG2 H 8.593 6.534 4.353 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . rr_2md2 1
. 1 . 155 . 1 1 9 GLU HG3 H 8.843 5.329 3.091 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . rr_2md2 1
. 1 . 156 . 1 1 9 GLU N N 6.390 9.028 2.692 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . rr_2md2 1
. 1 . 157 . 1 1 9 GLU O O 9.640 8.948 1.261 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . rr_2md2 1
. 1 . 158 . 1 1 9 GLU OE1 O 10.973 6.429 2.184 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . rr_2md2 1
. 1 . 159 . 1 1 9 GLU OE2 O 10.780 7.658 3.996 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . rr_2md2 1
. 1 . 160 . 1 1 10 LYS C C 10.367 11.859 1.210 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2md2 1
. 1 . 161 . 1 1 10 LYS CA C 8.968 11.572 0.675 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2md2 1
. 1 . 162 . 1 1 10 LYS CB C 8.201 12.884 0.493 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2md2 1
. 1 . 163 . 1 1 10 LYS CD C 6.451 13.651 2.124 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2md2 1
. 1 . 164 . 1 1 10 LYS CE C 6.213 13.751 3.623 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2md2 1
. 1 . 165 . 1 1 10 LYS CG C 7.934 13.618 1.796 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2md2 1
. 1 . 166 . 1 1 10 LYS H H 7.436 11.012 2.024 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2md2 1
. 1 . 167 . 1 1 10 LYS HA H 9.055 11.080 -0.282 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2md2 1
. 1 . 168 . 1 1 10 LYS HB2 H 8.773 13.535 -0.152 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2md2 1
. 1 . 169 . 1 1 10 LYS HB3 H 7.252 12.670 0.024 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2md2 1
. 1 . 170 . 1 1 10 LYS HD2 H 6.003 14.507 1.642 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2md2 1
. 1 . 171 . 1 1 10 LYS HD3 H 5.990 12.745 1.754 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2md2 1
. 1 . 172 . 1 1 10 LYS HE2 H 6.296 12.765 4.054 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2md2 1
. 1 . 173 . 1 1 10 LYS HE3 H 6.967 14.395 4.051 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2md2 1
. 1 . 174 . 1 1 10 LYS HG2 H 8.457 13.116 2.596 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2md2 1
. 1 . 175 . 1 1 10 LYS HG3 H 8.296 14.633 1.707 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2md2 1
. 1 . 176 . 1 1 10 LYS HZ1 H 4.720 14.330 4.964 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2md2 1
. 1 . 177 . 1 1 10 LYS HZ2 H 4.128 13.714 3.504 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_2md2 1
. 1 . 178 . 1 1 10 LYS HZ3 H 4.783 15.272 3.560 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2md2 1
. 1 . 179 . 1 1 10 LYS N N 8.240 10.682 1.572 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2md2 1
. 1 . 180 . 1 1 10 LYS NZ N 4.867 14.306 3.935 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2md2 1
. 1 . 181 . 1 1 10 LYS O O 10.917 12.938 0.990 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2md2 1
. 2 . 182 . 1 1 1 TRP C C 3.190 0.967 -1.146 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_2md2 1
. 2 . 183 . 1 1 1 TRP CA C 2.216 -0.205 -1.194 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_2md2 1
. 2 . 184 . 1 1 1 TRP CB C 1.333 -0.099 -2.438 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_2md2 1
. 2 . 185 . 1 1 1 TRP CD1 C 3.253 -1.051 -3.843 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_2md2 1
. 2 . 186 . 1 1 1 TRP CD2 C 1.658 -0.028 -5.037 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_2md2 1
. 2 . 187 . 1 1 1 TRP CE2 C 2.647 -0.502 -5.921 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_2md2 1
. 2 . 188 . 1 1 1 TRP CE3 C 0.554 0.649 -5.562 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_2md2 1
. 2 . 189 . 1 1 1 TRP CG C 2.065 -0.390 -3.713 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_2md2 1
. 2 . 190 . 1 1 1 TRP CH2 C 1.470 0.347 -7.785 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_2md2 1
. 2 . 191 . 1 1 1 TRP CZ2 C 2.562 -0.319 -7.299 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_2md2 1
. 2 . 192 . 1 1 1 TRP CZ3 C 0.472 0.830 -6.929 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_2md2 1
. 2 . 193 . 1 1 1 TRP H1 H 1.829 -0.280 0.886 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_2md2 1
. 2 . 194 . 1 1 1 TRP HA H 2.780 -1.125 -1.241 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_2md2 1
. 2 . 195 . 1 1 1 TRP HB2 H 0.518 -0.802 -2.354 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_2md2 1
. 2 . 196 . 1 1 1 TRP HB3 H 0.934 0.903 -2.503 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_2md2 1
. 2 . 197 . 1 1 1 TRP HD1 H 3.819 -1.452 -3.017 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_2md2 1
. 2 . 198 . 1 1 1 TRP HE1 H 4.420 -1.548 -5.518 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_2md2 1
. 2 . 199 . 1 1 1 TRP HE3 H -0.226 1.028 -4.918 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_2md2 1
. 2 . 200 . 1 1 1 TRP HH2 H 1.365 0.512 -8.847 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_2md2 1
. 2 . 201 . 1 1 1 TRP HZ2 H 3.324 -0.686 -7.972 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_2md2 1
. 2 . 202 . 1 1 1 TRP HZ3 H -0.374 1.351 -7.353 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_2md2 1
. 2 . 203 . 1 1 1 TRP N N 1.393 -0.247 0.009 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_2md2 1
. 2 . 204 . 1 1 1 TRP NE1 N 3.609 -1.122 -5.169 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_2md2 1
. 2 . 205 . 1 1 1 TRP O O 2.825 2.075 -0.752 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_2md2 1
. 2 . 206 . 1 1 2 LYS C C 4.974 2.996 -2.290 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2md2 1
. 2 . 207 . 1 1 2 LYS CA C 5.458 1.751 -1.553 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2md2 1
. 2 . 208 . 1 1 2 LYS CB C 6.739 1.225 -2.206 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2md2 1
. 2 . 209 . 1 1 2 LYS CD C 6.971 -0.292 -0.218 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2md2 1
. 2 . 210 . 1 1 2 LYS CE C 7.944 -1.056 0.667 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2md2 1
. 2 . 211 . 1 1 2 LYS CG C 7.702 0.581 -1.224 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2md2 1
. 2 . 212 . 1 1 2 LYS H H 4.662 -0.187 -1.852 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2md2 1
. 2 . 213 . 1 1 2 LYS HA H 5.669 2.014 -0.528 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2md2 1
. 2 . 214 . 1 1 2 LYS HB2 H 6.472 0.491 -2.952 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2md2 1
. 2 . 215 . 1 1 2 LYS HB3 H 7.246 2.048 -2.689 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2md2 1
. 2 . 216 . 1 1 2 LYS HD2 H 6.351 0.334 0.406 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2md2 1
. 2 . 217 . 1 1 2 LYS HD3 H 6.351 -0.999 -0.751 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2md2 1
. 2 . 218 . 1 1 2 LYS HE2 H 8.821 -0.447 0.825 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2md2 1
. 2 . 219 . 1 1 2 LYS HE3 H 7.468 -1.255 1.615 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2md2 1
. 2 . 220 . 1 1 2 LYS HG2 H 8.405 -0.030 -1.771 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2md2 1
. 2 . 221 . 1 1 2 LYS HG3 H 8.234 1.358 -0.694 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2md2 1
. 2 . 222 . 1 1 2 LYS HZ1 H 9.357 -2.539 0.257 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2md2 1
. 2 . 223 . 1 1 2 LYS HZ2 H 8.227 -2.309 -0.981 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2md2 1
. 2 . 224 . 1 1 2 LYS HZ3 H 7.780 -3.125 0.431 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2md2 1
. 2 . 225 . 1 1 2 LYS N N 4.431 0.717 -1.549 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2md2 1
. 2 . 226 . 1 1 2 LYS NZ N 8.356 -2.348 0.051 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2md2 1
. 2 . 227 . 1 1 2 LYS O O 5.192 4.121 -1.839 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2md2 1
. 2 . 228 . 1 1 3 LEU C C 2.599 4.543 -3.541 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . rr_2md2 1
. 2 . 229 . 1 1 3 LEU CA C 3.798 3.892 -4.224 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . rr_2md2 1
. 2 . 230 . 1 1 3 LEU CB C 3.401 3.399 -5.616 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . rr_2md2 1
. 2 . 231 . 1 1 3 LEU CD1 C 5.806 2.775 -5.944 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . rr_2md2 1
. 2 . 232 . 1 1 3 LEU CD2 C 4.140 2.315 -7.752 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . rr_2md2 1
. 2 . 233 . 1 1 3 LEU CG C 4.538 3.261 -6.629 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . rr_2md2 1
. 2 . 234 . 1 1 3 LEU H H 4.172 1.868 -3.733 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . rr_2md2 1
. 2 . 235 . 1 1 3 LEU HA H 4.583 4.627 -4.321 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . rr_2md2 1
. 2 . 236 . 1 1 3 LEU HB2 H 2.938 2.431 -5.504 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . rr_2md2 1
. 2 . 237 . 1 1 3 LEU HB3 H 2.680 4.096 -6.020 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . rr_2md2 1
. 2 . 238 . 1 1 3 LEU HD11 H 6.055 3.441 -5.133 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . rr_2md2 1
. 2 . 239 . 1 1 3 LEU HD12 H 6.616 2.758 -6.658 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . rr_2md2 1
. 2 . 240 . 1 1 3 LEU HD13 H 5.647 1.779 -5.557 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . rr_2md2 1
. 2 . 241 . 1 1 3 LEU HD21 H 3.063 2.259 -7.811 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . rr_2md2 1
. 2 . 242 . 1 1 3 LEU HD22 H 4.542 1.332 -7.554 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . rr_2md2 1
. 2 . 243 . 1 1 3 LEU HD23 H 4.534 2.683 -8.689 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . rr_2md2 1
. 2 . 244 . 1 1 3 LEU HG H 4.745 4.230 -7.063 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . rr_2md2 1
. 2 . 245 . 1 1 3 LEU N N 4.315 2.787 -3.425 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . rr_2md2 1
. 2 . 246 . 1 1 3 LEU O O 2.203 5.657 -3.887 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . rr_2md2 1
. 2 . 247 . 1 1 4 LEU C C 1.289 4.887 -0.470 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2md2 1
. 2 . 248 . 1 1 4 LEU CA C 0.872 4.352 -1.836 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2md2 1
. 2 . 249 . 1 1 4 LEU CB C -0.177 3.252 -1.667 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2md2 1
. 2 . 250 . 1 1 4 LEU CD1 C -1.286 3.624 0.550 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2md2 1
. 2 . 251 . 1 1 4 LEU CD2 C -1.911 5.044 -1.412 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2md2 1
. 2 . 252 . 1 1 4 LEU CG C -1.470 3.660 -0.960 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2md2 1
. 2 . 253 . 1 1 4 LEU H H 2.385 2.961 -2.339 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2md2 1
. 2 . 254 . 1 1 4 LEU HA H 0.445 5.161 -2.411 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2md2 1
. 2 . 255 . 1 1 4 LEU HB2 H -0.438 2.891 -2.650 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2md2 1
. 2 . 256 . 1 1 4 LEU HB3 H 0.274 2.451 -1.099 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2md2 1
. 2 . 257 . 1 1 4 LEU HD11 H -1.932 2.870 0.973 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2md2 1
. 2 . 258 . 1 1 4 LEU HD12 H -1.537 4.589 0.966 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2md2 1
. 2 . 259 . 1 1 4 LEU HD13 H -0.258 3.389 0.782 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2md2 1
. 2 . 260 . 1 1 4 LEU HD21 H -2.990 5.096 -1.411 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2md2 1
. 2 . 261 . 1 1 4 LEU HD22 H -1.542 5.231 -2.410 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2md2 1
. 2 . 262 . 1 1 4 LEU HD23 H -1.514 5.788 -0.736 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2md2 1
. 2 . 263 . 1 1 4 LEU HG H -2.251 2.958 -1.217 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2md2 1
. 2 . 264 . 1 1 4 LEU N N 2.025 3.842 -2.570 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2md2 1
. 2 . 265 . 1 1 4 LEU O O 0.597 5.716 0.121 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2md2 1
. 2 . 266 . 1 1 5 SER C C 4.023 5.893 1.158 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2md2 1
. 2 . 267 . 1 1 5 SER CA C 2.935 4.837 1.323 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2md2 1
. 2 . 268 . 1 1 5 SER CB C 3.484 3.639 2.100 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2md2 1
. 2 . 269 . 1 1 5 SER H H 2.933 3.749 -0.493 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2md2 1
. 2 . 270 . 1 1 5 SER HA H 2.113 5.267 1.876 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . rr_2md2 1
. 2 . 271 . 1 1 5 SER HB2 H 4.209 3.120 1.492 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2md2 1
. 2 . 272 . 1 1 5 SER HB3 H 3.958 3.988 3.006 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2md2 1
. 2 . 273 . 1 1 5 SER HG H 2.290 2.776 3.392 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . rr_2md2 1
. 2 . 274 . 1 1 5 SER N N 2.426 4.408 0.026 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2md2 1
. 2 . 275 . 1 1 5 SER O O 4.318 6.648 2.085 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . rr_2md2 1
. 2 . 276 . 1 1 5 SER OG O 2.448 2.736 2.446 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . rr_2md2 1
. 2 . 277 . 1 1 6 LYS C C 5.209 8.325 -0.021 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . rr_2md2 1
. 2 . 278 . 1 1 6 LYS CA C 5.673 6.903 -0.320 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . rr_2md2 1
. 2 . 279 . 1 1 6 LYS CB C 6.104 6.793 -1.784 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . rr_2md2 1
. 2 . 280 . 1 1 6 LYS CD C 5.833 9.000 -2.952 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . rr_2md2 1
. 2 . 281 . 1 1 6 LYS CE C 5.930 8.959 -4.470 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . rr_2md2 1
. 2 . 282 . 1 1 6 LYS CG C 6.810 8.033 -2.305 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . rr_2md2 1
. 2 . 283 . 1 1 6 LYS H H 4.338 5.312 -0.729 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . rr_2md2 1
. 2 . 284 . 1 1 6 LYS HA H 6.516 6.672 0.313 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . rr_2md2 1
. 2 . 285 . 1 1 6 LYS HB2 H 6.774 5.952 -1.887 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . rr_2md2 1
. 2 . 286 . 1 1 6 LYS HB3 H 5.228 6.621 -2.392 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . rr_2md2 1
. 2 . 287 . 1 1 6 LYS HD2 H 4.828 8.733 -2.660 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . rr_2md2 1
. 2 . 288 . 1 1 6 LYS HD3 H 6.054 10.002 -2.613 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . rr_2md2 1
. 2 . 289 . 1 1 6 LYS HE2 H 5.880 7.931 -4.793 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . rr_2md2 1
. 2 . 290 . 1 1 6 LYS HE3 H 5.098 9.508 -4.885 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . rr_2md2 1
. 2 . 291 . 1 1 6 LYS HG2 H 7.300 8.530 -1.482 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . rr_2md2 1
. 2 . 292 . 1 1 6 LYS HG3 H 7.546 7.735 -3.038 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . rr_2md2 1
. 2 . 293 . 1 1 6 LYS HZ1 H 8.013 9.008 -4.618 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . rr_2md2 1
. 2 . 294 . 1 1 6 LYS HZ2 H 7.290 10.538 -4.616 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . rr_2md2 1
. 2 . 295 . 1 1 6 LYS HZ3 H 7.214 9.569 -6.000 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . rr_2md2 1
. 2 . 296 . 1 1 6 LYS N N 4.617 5.940 -0.029 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . rr_2md2 1
. 2 . 297 . 1 1 6 LYS NZ N 7.201 9.560 -4.960 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . rr_2md2 1
. 2 . 298 . 1 1 6 LYS O O 6.020 9.206 0.263 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . rr_2md2 1
. 2 . 299 . 1 1 7 ALA C C 3.541 10.262 1.635 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . rr_2md2 1
. 2 . 300 . 1 1 7 ALA CA C 3.328 9.856 0.181 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . rr_2md2 1
. 2 . 301 . 1 1 7 ALA CB C 1.845 9.865 -0.160 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . rr_2md2 1
. 2 . 302 . 1 1 7 ALA H H 3.303 7.799 -0.318 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . rr_2md2 1
. 2 . 303 . 1 1 7 ALA HA H 3.823 10.572 -0.459 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . rr_2md2 1
. 2 . 304 . 1 1 7 ALA HB1 H 1.687 10.444 -1.059 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . rr_2md2 1
. 2 . 305 . 1 1 7 ALA HB2 H 1.505 8.853 -0.319 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . rr_2md2 1
. 2 . 306 . 1 1 7 ALA HB3 H 1.291 10.307 0.655 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . rr_2md2 1
. 2 . 307 . 1 1 7 ALA N N 3.899 8.542 -0.086 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . rr_2md2 1
. 2 . 308 . 1 1 7 ALA O O 3.476 11.443 1.974 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . rr_2md2 1
. 2 . 309 . 1 1 8 GLN C C 5.395 9.046 4.339 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2md2 1
. 2 . 310 . 1 1 8 GLN CA C 4.016 9.532 3.907 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2md2 1
. 2 . 311 . 1 1 8 GLN CB C 2.935 8.848 4.745 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2md2 1
. 2 . 312 . 1 1 8 GLN CD C 1.945 6.634 5.453 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2md2 1
. 2 . 313 . 1 1 8 GLN CG C 2.729 7.384 4.394 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2md2 1
. 2 . 314 . 1 1 8 GLN H H 3.833 8.355 2.158 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2md2 1
. 2 . 315 . 1 1 8 GLN HA H 3.959 10.599 4.064 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2md2 1
. 2 . 316 . 1 1 8 GLN HB2 H 3.211 8.911 5.788 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2md2 1
. 2 . 317 . 1 1 8 GLN HB3 H 1.999 9.366 4.597 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2md2 1
. 2 . 318 . 1 1 8 GLN HE21 H 0.520 6.209 4.133 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2md2 1
. 2 . 319 . 1 1 8 GLN HE22 H 0.267 5.604 5.731 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2md2 1
. 2 . 320 . 1 1 8 GLN HG2 H 2.190 7.323 3.460 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2md2 1
. 2 . 321 . 1 1 8 GLN HG3 H 3.695 6.914 4.282 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2md2 1
. 2 . 322 . 1 1 8 GLN N N 3.795 9.276 2.489 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2md2 1
. 2 . 323 . 1 1 8 GLN NE2 N 0.794 6.095 5.068 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2md2 1
. 2 . 324 . 1 1 8 GLN O O 5.808 9.256 5.480 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2md2 1
. 2 . 325 . 1 1 8 GLN OE1 O 2.368 6.541 6.606 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2md2 1
. 2 . 326 . 1 1 9 GLU C C 8.483 8.554 2.828 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . rr_2md2 1
. 2 . 327 . 1 1 9 GLU CA C 7.436 7.879 3.709 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . rr_2md2 1
. 2 . 328 . 1 1 9 GLU CB C 7.476 6.364 3.498 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . rr_2md2 1
. 2 . 329 . 1 1 9 GLU CD C 7.725 4.396 5.062 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . rr_2md2 1
. 2 . 330 . 1 1 9 GLU CG C 6.866 5.574 4.644 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . rr_2md2 1
. 2 . 331 . 1 1 9 GLU H H 5.720 8.260 2.529 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . rr_2md2 1
. 2 . 332 . 1 1 9 GLU HA H 7.659 8.095 4.743 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . rr_2md2 1
. 2 . 333 . 1 1 9 GLU HB2 H 6.936 6.124 2.594 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . rr_2md2 1
. 2 . 334 . 1 1 9 GLU HB3 H 8.505 6.056 3.384 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . rr_2md2 1
. 2 . 335 . 1 1 9 GLU HG2 H 6.744 6.230 5.492 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . rr_2md2 1
. 2 . 336 . 1 1 9 GLU HG3 H 5.899 5.204 4.335 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . rr_2md2 1
. 2 . 337 . 1 1 9 GLU N N 6.103 8.396 3.421 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . rr_2md2 1
. 2 . 338 . 1 1 9 GLU O O 9.490 7.946 2.465 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . rr_2md2 1
. 2 . 339 . 1 1 9 GLU OE1 O 8.296 3.733 4.171 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . rr_2md2 1
. 2 . 340 . 1 1 9 GLU OE2 O 7.825 4.137 6.280 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . rr_2md2 1
. 2 . 341 . 1 1 10 LYS C C 10.264 11.206 2.492 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2md2 1
. 2 . 342 . 1 1 10 LYS CA C 9.159 10.575 1.651 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2md2 1
. 2 . 343 . 1 1 10 LYS CB C 8.403 11.662 0.884 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2md2 1
. 2 . 344 . 1 1 10 LYS CD C 7.242 13.885 1.032 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2md2 1
. 2 . 345 . 1 1 10 LYS CE C 8.431 14.805 0.802 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2md2 1
. 2 . 346 . 1 1 10 LYS CG C 7.647 12.627 1.781 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2md2 1
. 2 . 347 . 1 1 10 LYS H H 7.418 10.246 2.810 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2md2 1
. 2 . 348 . 1 1 10 LYS HA H 9.606 9.892 0.945 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2md2 1
. 2 . 349 . 1 1 10 LYS HB2 H 9.110 12.229 0.296 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2md2 1
. 2 . 350 . 1 1 10 LYS HB3 H 7.693 11.190 0.220 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2md2 1
. 2 . 351 . 1 1 10 LYS HD2 H 6.828 13.606 0.074 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2md2 1
. 2 . 352 . 1 1 10 LYS HD3 H 6.496 14.413 1.609 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2md2 1
. 2 . 353 . 1 1 10 LYS HE2 H 9.133 14.673 1.612 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2md2 1
. 2 . 354 . 1 1 10 LYS HE3 H 8.904 14.534 -0.131 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2md2 1
. 2 . 355 . 1 1 10 LYS HG2 H 6.758 12.139 2.151 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2md2 1
. 2 . 356 . 1 1 10 LYS HG3 H 8.281 12.902 2.612 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2md2 1
. 2 . 357 . 1 1 10 LYS HZ1 H 7.141 16.333 0.200 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2md2 1
. 2 . 358 . 1 1 10 LYS HZ2 H 8.765 16.799 0.281 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_2md2 1
. 2 . 359 . 1 1 10 LYS HZ3 H 7.870 16.604 1.702 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2md2 1
. 2 . 360 . 1 1 10 LYS N N 8.238 9.815 2.489 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2md2 1
. 2 . 361 . 1 1 10 LYS NZ N 8.023 16.235 0.742 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2md2 1
. 2 . 362 . 1 1 10 LYS O O 11.129 10.509 3.022 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2md2 1
. 3 . 363 . 1 1 1 TRP C C 3.168 1.116 -1.140 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_2md2 1
. 3 . 364 . 1 1 1 TRP CA C 2.235 -0.090 -1.151 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_2md2 1
. 3 . 365 . 1 1 1 TRP CB C 1.331 -0.040 -2.384 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_2md2 1
. 3 . 366 . 1 1 1 TRP CD1 C 3.253 -0.995 -3.785 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_2md2 1
. 3 . 367 . 1 1 1 TRP CD2 C 1.607 -0.070 -4.989 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_2md2 1
. 3 . 368 . 1 1 1 TRP CE2 C 2.593 -0.552 -5.872 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_2md2 1
. 3 . 369 . 1 1 1 TRP CE3 C 0.474 0.552 -5.520 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_2md2 1
. 3 . 370 . 1 1 1 TRP CG C 2.049 -0.364 -3.659 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_2md2 1
. 3 . 371 . 1 1 1 TRP CH2 C 1.359 0.184 -7.747 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_2md2 1
. 3 . 372 . 1 1 1 TRP CZ2 C 2.479 -0.429 -7.254 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_2md2 1
. 3 . 373 . 1 1 1 TRP CZ3 C 0.362 0.673 -6.892 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_2md2 1
. 3 . 374 . 1 1 1 TRP H1 H 1.879 -0.137 0.936 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_2md2 1
. 3 . 375 . 1 1 1 TRP HA H 2.830 -0.990 -1.188 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_2md2 1
. 3 . 376 . 1 1 1 TRP HB2 H 0.529 -0.752 -2.263 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_2md2 1
. 3 . 377 . 1 1 1 TRP HB3 H 0.915 0.953 -2.477 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_2md2 1
. 3 . 378 . 1 1 1 TRP HD1 H 3.846 -1.344 -2.953 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_2md2 1
. 3 . 379 . 1 1 1 TRP HE1 H 4.404 -1.528 -5.459 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_2md2 1
. 3 . 380 . 1 1 1 TRP HE3 H -0.305 0.936 -4.878 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_2md2 1
. 3 . 381 . 1 1 1 TRP HH2 H 1.230 0.300 -8.812 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_2md2 1
. 3 . 382 . 1 1 1 TRP HZ2 H 3.239 -0.802 -7.926 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_2md2 1
. 3 . 383 . 1 1 1 TRP HZ3 H -0.507 1.151 -7.321 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_2md2 1
. 3 . 384 . 1 1 1 TRP N N 1.430 -0.136 0.065 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_2md2 1
. 3 . 385 . 1 1 1 TRP NE1 N 3.587 -1.111 -5.113 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_2md2 1
. 3 . 386 . 1 1 1 TRP O O 2.767 2.221 -0.774 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_2md2 1
. 3 . 387 . 1 1 2 LYS C C 4.877 3.170 -2.360 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2md2 1
. 3 . 388 . 1 1 2 LYS CA C 5.405 1.967 -1.584 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2md2 1
. 3 . 389 . 1 1 2 LYS CB C 6.703 1.465 -2.220 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2md2 1
. 3 . 390 . 1 1 2 LYS CD C 7.092 0.128 -0.130 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2md2 1
. 3 . 391 . 1 1 2 LYS CE C 7.723 -1.127 0.454 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2md2 1
. 3 . 392 . 1 1 2 LYS CG C 7.191 0.147 -1.646 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2md2 1
. 3 . 393 . 1 1 2 LYS H H 4.674 -0.005 -1.825 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2md2 1
. 3 . 394 . 1 1 2 LYS HA H 5.606 2.270 -0.567 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2md2 1
. 3 . 395 . 1 1 2 LYS HB2 H 6.543 1.335 -3.280 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2md2 1
. 3 . 396 . 1 1 2 LYS HB3 H 7.474 2.207 -2.070 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2md2 1
. 3 . 397 . 1 1 2 LYS HD2 H 7.604 0.992 0.267 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2md2 1
. 3 . 398 . 1 1 2 LYS HD3 H 6.050 0.162 0.155 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2md2 1
. 3 . 399 . 1 1 2 LYS HE2 H 7.075 -1.514 1.225 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2md2 1
. 3 . 400 . 1 1 2 LYS HE3 H 7.827 -1.861 -0.331 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2md2 1
. 3 . 401 . 1 1 2 LYS HG2 H 6.588 -0.655 -2.045 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2md2 1
. 3 . 402 . 1 1 2 LYS HG3 H 8.223 0.000 -1.932 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2md2 1
. 3 . 403 . 1 1 2 LYS HZ1 H 9.634 -1.721 1.054 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2md2 1
. 3 . 404 . 1 1 2 LYS HZ2 H 8.962 -0.502 2.016 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2md2 1
. 3 . 405 . 1 1 2 LYS HZ3 H 9.560 -0.133 0.477 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2md2 1
. 3 . 406 . 1 1 2 LYS N N 4.414 0.898 -1.545 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2md2 1
. 3 . 407 . 1 1 2 LYS NZ N 9.064 -0.852 1.041 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2md2 1
. 3 . 408 . 1 1 2 LYS O O 5.007 4.312 -1.919 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2md2 1
. 3 . 409 . 1 1 3 LEU C C 2.544 4.638 -3.674 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . rr_2md2 1
. 3 . 410 . 1 1 3 LEU CA C 3.732 3.966 -4.355 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . rr_2md2 1
. 3 . 411 . 1 1 3 LEU CB C 3.305 3.403 -5.711 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . rr_2md2 1
. 3 . 412 . 1 1 3 LEU CD1 C 5.742 2.936 -6.070 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . rr_2md2 1
. 3 . 413 . 1 1 3 LEU CD2 C 4.060 2.144 -7.744 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . rr_2md2 1
. 3 . 414 . 1 1 3 LEU CG C 4.416 3.240 -6.750 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . rr_2md2 1
. 3 . 415 . 1 1 3 LEU H H 4.207 1.976 -3.816 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . rr_2md2 1
. 3 . 416 . 1 1 3 LEU HA H 4.507 4.702 -4.507 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . rr_2md2 1
. 3 . 417 . 1 1 3 LEU HB2 H 2.866 2.432 -5.543 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . rr_2md2 1
. 3 . 418 . 1 1 3 LEU HB3 H 2.559 4.067 -6.124 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . rr_2md2 1
. 3 . 419 . 1 1 3 LEU HD11 H 5.654 2.022 -5.502 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . rr_2md2 1
. 3 . 420 . 1 1 3 LEU HD12 H 6.001 3.748 -5.407 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . rr_2md2 1
. 3 . 421 . 1 1 3 LEU HD13 H 6.512 2.823 -6.819 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . rr_2md2 1
. 3 . 422 . 1 1 3 LEU HD21 H 4.481 1.207 -7.412 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . rr_2md2 1
. 3 . 423 . 1 1 3 LEU HD22 H 4.461 2.395 -8.715 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . rr_2md2 1
. 3 . 424 . 1 1 3 LEU HD23 H 2.985 2.054 -7.811 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . rr_2md2 1
. 3 . 425 . 1 1 3 LEU HG H 4.526 4.166 -7.297 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . rr_2md2 1
. 3 . 426 . 1 1 3 LEU N N 4.281 2.905 -3.517 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . rr_2md2 1
. 3 . 427 . 1 1 3 LEU O O 2.136 5.736 -4.054 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . rr_2md2 1
. 3 . 428 . 1 1 4 LEU C C 1.290 5.069 -0.580 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2md2 1
. 3 . 429 . 1 1 4 LEU CA C 0.853 4.505 -1.928 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2md2 1
. 3 . 430 . 1 1 4 LEU CB C -0.200 3.415 -1.720 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2md2 1
. 3 . 431 . 1 1 4 LEU CD1 C -2.566 2.830 -1.134 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2md2 1
. 3 . 432 . 1 1 4 LEU CD2 C -1.820 5.216 -1.075 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2md2 1
. 3 . 433 . 1 1 4 LEU CG C -1.658 3.872 -1.769 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2md2 1
. 3 . 434 . 1 1 4 LEU H H 2.362 3.102 -2.408 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2md2 1
. 3 . 435 . 1 1 4 LEU HA H 0.422 5.302 -2.515 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2md2 1
. 3 . 436 . 1 1 4 LEU HB2 H -0.061 2.670 -2.488 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2md2 1
. 3 . 437 . 1 1 4 LEU HB3 H -0.025 2.967 -0.752 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2md2 1
. 3 . 438 . 1 1 4 LEU HD11 H -2.945 2.168 -1.898 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2md2 1
. 3 . 439 . 1 1 4 LEU HD12 H -3.392 3.323 -0.643 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2md2 1
. 3 . 440 . 1 1 4 LEU HD13 H -2.005 2.259 -0.408 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2md2 1
. 3 . 441 . 1 1 4 LEU HD21 H -2.853 5.527 -1.127 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2md2 1
. 3 . 442 . 1 1 4 LEU HD22 H -1.198 5.951 -1.565 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2md2 1
. 3 . 443 . 1 1 4 LEU HD23 H -1.522 5.126 -0.040 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2md2 1
. 3 . 444 . 1 1 4 LEU HG H -1.958 3.989 -2.801 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2md2 1
. 3 . 445 . 1 1 4 LEU N N 1.993 3.972 -2.664 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2md2 1
. 3 . 446 . 1 1 4 LEU O O 0.620 5.929 -0.008 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2md2 1
. 3 . 447 . 1 1 5 SER C C 3.980 6.140 1.005 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2md2 1
. 3 . 448 . 1 1 5 SER CA C 2.947 5.035 1.203 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2md2 1
. 3 . 449 . 1 1 5 SER CB C 3.574 3.865 1.964 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2md2 1
. 3 . 450 . 1 1 5 SER H H 2.910 3.896 -0.582 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2md2 1
. 3 . 451 . 1 1 5 SER HA H 2.123 5.428 1.780 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . rr_2md2 1
. 3 . 452 . 1 1 5 SER HB2 H 4.429 3.499 1.416 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2md2 1
. 3 . 453 . 1 1 5 SER HB3 H 3.890 4.202 2.941 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2md2 1
. 3 . 454 . 1 1 5 SER HG H 1.867 3.129 2.581 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . rr_2md2 1
. 3 . 455 . 1 1 5 SER N N 2.420 4.581 -0.078 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2md2 1
. 3 . 456 . 1 1 5 SER O O 4.339 6.847 1.947 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . rr_2md2 1
. 3 . 457 . 1 1 5 SER OG O 2.647 2.805 2.125 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . rr_2md2 1
. 3 . 458 . 1 1 6 LYS C C 4.977 8.681 -0.102 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . rr_2md2 1
. 3 . 459 . 1 1 6 LYS CA C 5.447 7.301 -0.553 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . rr_2md2 1
. 3 . 460 . 1 1 6 LYS CB C 5.723 7.311 -2.058 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . rr_2md2 1
. 3 . 461 . 1 1 6 LYS CD C 7.592 5.959 -3.053 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . rr_2md2 1
. 3 . 462 . 1 1 6 LYS CE C 7.292 5.961 -4.544 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . rr_2md2 1
. 3 . 463 . 1 1 6 LYS CG C 7.201 7.277 -2.405 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . rr_2md2 1
. 3 . 464 . 1 1 6 LYS H H 4.130 5.688 -0.937 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . rr_2md2 1
. 3 . 465 . 1 1 6 LYS HA H 6.358 7.056 -0.029 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . rr_2md2 1
. 3 . 466 . 1 1 6 LYS HB2 H 5.250 6.449 -2.504 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . rr_2md2 1
. 3 . 467 . 1 1 6 LYS HB3 H 5.295 8.207 -2.484 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . rr_2md2 1
. 3 . 468 . 1 1 6 LYS HD2 H 8.650 5.798 -2.910 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . rr_2md2 1
. 3 . 469 . 1 1 6 LYS HD3 H 7.037 5.159 -2.584 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . rr_2md2 1
. 3 . 470 . 1 1 6 LYS HE2 H 6.288 5.595 -4.696 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . rr_2md2 1
. 3 . 471 . 1 1 6 LYS HE3 H 7.365 6.974 -4.911 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . rr_2md2 1
. 3 . 472 . 1 1 6 LYS HG2 H 7.420 8.082 -3.091 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . rr_2md2 1
. 3 . 473 . 1 1 6 LYS HG3 H 7.777 7.407 -1.499 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . rr_2md2 1
. 3 . 474 . 1 1 6 LYS HZ1 H 7.750 4.630 -6.087 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . rr_2md2 1
. 3 . 475 . 1 1 6 LYS HZ2 H 8.645 4.375 -4.674 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . rr_2md2 1
. 3 . 476 . 1 1 6 LYS HZ3 H 9.016 5.677 -5.688 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . rr_2md2 1
. 3 . 477 . 1 1 6 LYS N N 4.455 6.282 -0.227 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . rr_2md2 1
. 3 . 478 . 1 1 6 LYS NZ N 8.242 5.100 -5.302 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . rr_2md2 1
. 3 . 479 . 1 1 6 LYS O O 5.787 9.579 0.124 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . rr_2md2 1
. 3 . 480 . 1 1 7 ALA C C 3.511 10.454 1.877 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . rr_2md2 1
. 3 . 481 . 1 1 7 ALA CA C 3.087 10.110 0.453 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . rr_2md2 1
. 3 . 482 . 1 1 7 ALA CB C 1.570 10.062 0.349 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . rr_2md2 1
. 3 . 483 . 1 1 7 ALA H H 3.069 8.087 -0.168 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . rr_2md2 1
. 3 . 484 . 1 1 7 ALA HA H 3.445 10.880 -0.214 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . rr_2md2 1
. 3 . 485 . 1 1 7 ALA HB1 H 1.287 9.412 -0.467 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . rr_2md2 1
. 3 . 486 . 1 1 7 ALA HB2 H 1.158 9.682 1.272 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . rr_2md2 1
. 3 . 487 . 1 1 7 ALA HB3 H 1.190 11.056 0.166 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . rr_2md2 1
. 3 . 488 . 1 1 7 ALA N N 3.664 8.841 0.027 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . rr_2md2 1
. 3 . 489 . 1 1 7 ALA O O 3.529 11.622 2.263 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . rr_2md2 1
. 3 . 490 . 1 1 8 GLN C C 5.729 9.217 4.222 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2md2 1
. 3 . 491 . 1 1 8 GLN CA C 4.271 9.625 4.035 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2md2 1
. 3 . 492 . 1 1 8 GLN CB C 3.378 8.820 4.982 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2md2 1
. 3 . 493 . 1 1 8 GLN CD C 2.192 6.637 5.439 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2md2 1
. 3 . 494 . 1 1 8 GLN CG C 3.099 7.406 4.499 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2md2 1
. 3 . 495 . 1 1 8 GLN H H 3.814 8.521 2.288 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2md2 1
. 3 . 496 . 1 1 8 GLN HA H 4.171 10.674 4.267 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2md2 1
. 3 . 497 . 1 1 8 GLN HB2 H 3.859 8.760 5.947 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2md2 1
. 3 . 498 . 1 1 8 GLN HB3 H 2.434 9.333 5.090 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2md2 1
. 3 . 499 . 1 1 8 GLN HE21 H 0.744 7.974 5.176 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2md2 1
. 3 . 500 . 1 1 8 GLN HE22 H 0.374 6.667 6.243 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2md2 1
. 3 . 501 . 1 1 8 GLN HG2 H 2.626 7.457 3.530 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2md2 1
. 3 . 502 . 1 1 8 GLN HG3 H 4.036 6.877 4.413 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2md2 1
. 3 . 503 . 1 1 8 GLN N N 3.849 9.429 2.653 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2md2 1
. 3 . 504 . 1 1 8 GLN NE2 N 0.981 7.144 5.641 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2md2 1
. 3 . 505 . 1 1 8 GLN O O 6.277 9.326 5.319 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2md2 1
. 3 . 506 . 1 1 8 GLN OE1 O 2.575 5.599 5.979 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2md2 1
. 3 . 507 . 1 1 9 GLU C C 8.617 9.222 2.322 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . rr_2md2 1
. 3 . 508 . 1 1 9 GLU CA C 7.744 8.322 3.192 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . rr_2md2 1
. 3 . 509 . 1 1 9 GLU CB C 7.873 6.868 2.732 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . rr_2md2 1
. 3 . 510 . 1 1 9 GLU CD C 7.785 4.484 3.562 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . rr_2md2 1
. 3 . 511 . 1 1 9 GLU CG C 7.186 5.875 3.654 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . rr_2md2 1
. 3 . 512 . 1 1 9 GLU H H 5.859 8.684 2.299 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . rr_2md2 1
. 3 . 513 . 1 1 9 GLU HA H 8.079 8.397 4.216 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . rr_2md2 1
. 3 . 514 . 1 1 9 GLU HB2 H 7.438 6.775 1.748 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . rr_2md2 1
. 3 . 515 . 1 1 9 GLU HB3 H 8.921 6.613 2.678 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . rr_2md2 1
. 3 . 516 . 1 1 9 GLU HG2 H 7.280 6.223 4.671 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . rr_2md2 1
. 3 . 517 . 1 1 9 GLU HG3 H 6.141 5.819 3.388 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . rr_2md2 1
. 3 . 518 . 1 1 9 GLU N N 6.350 8.747 3.145 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . rr_2md2 1
. 3 . 519 . 1 1 9 GLU O O 9.592 8.769 1.723 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . rr_2md2 1
. 3 . 520 . 1 1 9 GLU OE1 O 7.473 3.768 2.587 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . rr_2md2 1
. 3 . 521 . 1 1 9 GLU OE2 O 8.564 4.112 4.464 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . rr_2md2 1
. 3 . 522 . 1 1 10 LYS C C 10.043 12.189 2.319 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2md2 1
. 3 . 523 . 1 1 10 LYS CA C 9.008 11.466 1.463 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2md2 1
. 3 . 524 . 1 1 10 LYS CB C 8.056 12.481 0.827 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2md2 1
. 3 . 525 . 1 1 10 LYS CD C 7.800 14.790 1.783 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2md2 1
. 3 . 526 . 1 1 10 LYS CE C 6.675 15.760 2.110 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2md2 1
. 3 . 527 . 1 1 10 LYS CG C 7.327 13.348 1.839 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2md2 1
. 3 . 528 . 1 1 10 LYS H H 7.471 10.801 2.758 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2md2 1
. 3 . 529 . 1 1 10 LYS HA H 9.519 10.926 0.680 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2md2 1
. 3 . 530 . 1 1 10 LYS HB2 H 8.623 13.128 0.173 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2md2 1
. 3 . 531 . 1 1 10 LYS HB3 H 7.320 11.949 0.242 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2md2 1
. 3 . 532 . 1 1 10 LYS HD2 H 8.597 14.927 2.499 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2md2 1
. 3 . 533 . 1 1 10 LYS HD3 H 8.168 15.001 0.789 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2md2 1
. 3 . 534 . 1 1 10 LYS HE2 H 6.651 16.531 1.356 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2md2 1
. 3 . 535 . 1 1 10 LYS HE3 H 5.739 15.220 2.102 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2md2 1
. 3 . 536 . 1 1 10 LYS HG2 H 6.268 13.319 1.627 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2md2 1
. 3 . 537 . 1 1 10 LYS HG3 H 7.508 12.957 2.830 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2md2 1
. 3 . 538 . 1 1 10 LYS HZ1 H 5.979 16.860 3.743 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2md2 1
. 3 . 539 . 1 1 10 LYS HZ2 H 7.618 17.101 3.403 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_2md2 1
. 3 . 540 . 1 1 10 LYS HZ3 H 7.111 15.672 4.151 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2md2 1
. 3 . 541 . 1 1 10 LYS N N 8.259 10.500 2.258 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2md2 1
. 3 . 542 . 1 1 10 LYS NZ N 6.858 16.392 3.445 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2md2 1
. 3 . 543 . 1 1 10 LYS O O 9.925 12.238 3.543 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2md2 1
. 4 . 544 . 1 1 1 TRP C C 3.132 1.111 -1.128 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_2md2 1
. 4 . 545 . 1 1 1 TRP CA C 2.245 -0.126 -1.212 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_2md2 1
. 4 . 546 . 1 1 1 TRP CB C 1.386 -0.068 -2.476 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_2md2 1
. 4 . 547 . 1 1 1 TRP CD1 C 3.392 -0.905 -3.833 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_2md2 1
. 4 . 548 . 1 1 1 TRP CD2 C 1.757 0.001 -5.068 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_2md2 1
. 4 . 549 . 1 1 1 TRP CE2 C 2.792 -0.416 -5.928 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_2md2 1
. 4 . 550 . 1 1 1 TRP CE3 C 0.622 0.599 -5.621 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_2md2 1
. 4 . 551 . 1 1 1 TRP CG C 2.161 -0.322 -3.733 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_2md2 1
. 4 . 552 . 1 1 1 TRP CH2 C 1.601 0.337 -7.823 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_2md2 1
. 4 . 553 . 1 1 1 TRP CZ2 C 2.724 -0.251 -7.309 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_2md2 1
. 4 . 554 . 1 1 1 TRP CZ3 C 0.556 0.762 -6.992 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_2md2 1
. 4 . 555 . 1 1 1 TRP H1 H 1.816 -0.256 0.858 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_2md2 1
. 4 . 556 . 1 1 1 TRP HA H 2.874 -1.003 -1.255 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_2md2 1
. 4 . 557 . 1 1 1 TRP HB2 H 0.607 -0.812 -2.408 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_2md2 1
. 4 . 558 . 1 1 1 TRP HB3 H 0.937 0.912 -2.552 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_2md2 1
. 4 . 559 . 1 1 1 TRP HD1 H 3.966 -1.261 -2.992 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_2md2 1
. 4 . 560 . 1 1 1 TRP HE1 H 4.621 -1.340 -5.480 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_2md2 1
. 4 . 561 . 1 1 1 TRP HE3 H -0.194 0.932 -4.997 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_2md2 1
. 4 . 562 . 1 1 1 TRP HH2 H 1.506 0.485 -8.888 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_2md2 1
. 4 . 563 . 1 1 1 TRP HZ2 H 3.521 -0.574 -7.963 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_2md2 1
. 4 . 564 . 1 1 1 TRP HZ3 H -0.314 1.223 -7.437 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_2md2 1
. 4 . 565 . 1 1 1 TRP N N 1.399 -0.241 -0.029 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_2md2 1
. 4 . 566 . 1 1 1 TRP NE1 N 3.778 -0.964 -5.151 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_2md2 1
. 4 . 567 . 1 1 1 TRP O O 2.678 2.189 -0.742 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_2md2 1
. 4 . 568 . 1 1 2 LYS C C 4.809 3.264 -2.217 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2md2 1
. 4 . 569 . 1 1 2 LYS CA C 5.352 2.055 -1.460 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2md2 1
. 4 . 570 . 1 1 2 LYS CB C 6.689 1.621 -2.064 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2md2 1
. 4 . 571 . 1 1 2 LYS CD C 7.051 0.231 -0.003 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2md2 1
. 4 . 572 . 1 1 2 LYS CE C 7.709 -1.017 0.565 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2md2 1
. 4 . 573 . 1 1 2 LYS CG C 7.205 0.303 -1.513 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2md2 1
. 4 . 574 . 1 1 2 LYS H H 4.703 0.068 -1.791 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2md2 1
. 4 . 575 . 1 1 2 LYS HA H 5.505 2.331 -0.428 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2md2 1
. 4 . 576 . 1 1 2 LYS HB2 H 6.572 1.520 -3.133 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2md2 1
. 4 . 577 . 1 1 2 LYS HB3 H 7.426 2.385 -1.862 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2md2 1
. 4 . 578 . 1 1 2 LYS HD2 H 7.512 1.101 0.440 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2md2 1
. 4 . 579 . 1 1 2 LYS HD3 H 5.998 0.215 0.242 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2md2 1
. 4 . 580 . 1 1 2 LYS HE2 H 7.562 -1.833 -0.126 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2md2 1
. 4 . 581 . 1 1 2 LYS HE3 H 8.767 -0.829 0.680 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2md2 1
. 4 . 582 . 1 1 2 LYS HG2 H 6.648 -0.507 -1.960 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2md2 1
. 4 . 583 . 1 1 2 LYS HG3 H 8.252 0.204 -1.764 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2md2 1
. 4 . 584 . 1 1 2 LYS HZ1 H 7.534 -0.786 2.634 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2md2 1
. 4 . 585 . 1 1 2 LYS HZ2 H 7.363 -2.384 2.106 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2md2 1
. 4 . 586 . 1 1 2 LYS HZ3 H 6.104 -1.278 1.876 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2md2 1
. 4 . 587 . 1 1 2 LYS N N 4.400 0.951 -1.492 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2md2 1
. 4 . 588 . 1 1 2 LYS NZ N 7.137 -1.392 1.888 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2md2 1
. 4 . 589 . 1 1 2 LYS O O 4.881 4.395 -1.735 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2md2 1
. 4 . 590 . 1 1 3 LEU C C 2.471 4.690 -3.569 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . rr_2md2 1
. 4 . 591 . 1 1 3 LEU CA C 3.707 4.085 -4.226 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . rr_2md2 1
. 4 . 592 . 1 1 3 LEU CB C 3.351 3.552 -5.615 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . rr_2md2 1
. 4 . 593 . 1 1 3 LEU CD1 C 5.812 3.173 -5.898 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . rr_2md2 1
. 4 . 594 . 1 1 3 LEU CD2 C 4.219 2.397 -7.664 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . rr_2md2 1
. 4 . 595 . 1 1 3 LEU CG C 4.503 3.464 -6.616 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . rr_2md2 1
. 4 . 596 . 1 1 3 LEU H H 4.235 2.095 -3.734 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . rr_2md2 1
. 4 . 597 . 1 1 3 LEU HA H 4.460 4.853 -4.326 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . rr_2md2 1
. 4 . 598 . 1 1 3 LEU HB2 H 2.942 2.561 -5.494 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . rr_2md2 1
. 4 . 599 . 1 1 3 LEU HB3 H 2.596 4.202 -6.034 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . rr_2md2 1
. 4 . 600 . 1 1 3 LEU HD11 H 5.737 2.229 -5.381 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . rr_2md2 1
. 4 . 601 . 1 1 3 LEU HD12 H 6.014 3.959 -5.186 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . rr_2md2 1
. 4 . 602 . 1 1 3 LEU HD13 H 6.615 3.126 -6.620 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . rr_2md2 1
. 4 . 603 . 1 1 3 LEU HD21 H 4.637 2.703 -8.611 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . rr_2md2 1
. 4 . 604 . 1 1 3 LEU HD22 H 3.152 2.269 -7.765 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . rr_2md2 1
. 4 . 605 . 1 1 3 LEU HD23 H 4.667 1.463 -7.357 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . rr_2md2 1
. 4 . 606 . 1 1 3 LEU HG H 4.605 4.413 -7.123 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . rr_2md2 1
. 4 . 607 . 1 1 3 LEU N N 4.264 3.017 -3.403 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . rr_2md2 1
. 4 . 608 . 1 1 3 LEU O O 2.037 5.786 -3.929 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . rr_2md2 1
. 4 . 609 . 1 1 4 LEU C C 1.092 4.974 -0.512 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2md2 1
. 4 . 610 . 1 1 4 LEU CA C 0.724 4.440 -1.892 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2md2 1
. 4 . 611 . 1 1 4 LEU CB C -0.294 3.306 -1.758 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2md2 1
. 4 . 612 . 1 1 4 LEU CD1 C -2.656 2.618 -1.278 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2md2 1
. 4 . 613 . 1 1 4 LEU CD2 C -2.001 5.026 -1.117 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2md2 1
. 4 . 614 . 1 1 4 LEU CG C -1.766 3.712 -1.846 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2md2 1
. 4 . 615 . 1 1 4 LEU H H 2.300 3.107 -2.360 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2md2 1
. 4 . 616 . 1 1 4 LEU HA H 0.286 5.240 -2.470 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2md2 1
. 4 . 617 . 1 1 4 LEU HB2 H -0.101 2.593 -2.545 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2md2 1
. 4 . 618 . 1 1 4 LEU HB3 H -0.137 2.833 -0.799 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2md2 1
. 4 . 619 . 1 1 4 LEU HD11 H -3.523 3.064 -0.814 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2md2 1
. 4 . 620 . 1 1 4 LEU HD12 H -2.105 2.051 -0.542 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2md2 1
. 4 . 621 . 1 1 4 LEU HD13 H -2.972 1.960 -2.075 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2md2 1
. 4 . 622 . 1 1 4 LEU HD21 H -3.043 5.301 -1.197 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2md2 1
. 4 . 623 . 1 1 4 LEU HD22 H -1.390 5.798 -1.560 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2md2 1
. 4 . 624 . 1 1 4 LEU HD23 H -1.737 4.912 -0.075 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2md2 1
. 4 . 625 . 1 1 4 LEU HG H -2.033 3.852 -2.885 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2md2 1
. 4 . 626 . 1 1 4 LEU N N 1.909 3.972 -2.603 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2md2 1
. 4 . 627 . 1 1 4 LEU O O 0.370 5.791 0.061 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2md2 1
. 4 . 628 . 1 1 5 SER C C 3.681 6.088 1.205 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2md2 1
. 4 . 629 . 1 1 5 SER CA C 2.683 4.940 1.330 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2md2 1
. 4 . 630 . 1 1 5 SER CB C 3.325 3.769 2.076 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2md2 1
. 4 . 631 . 1 1 5 SER H H 2.752 3.860 -0.490 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2md2 1
. 4 . 632 . 1 1 5 SER HA H 1.825 5.284 1.887 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . rr_2md2 1
. 4 . 633 . 1 1 5 SER HB2 H 4.217 3.459 1.553 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2md2 1
. 4 . 634 . 1 1 5 SER HB3 H 3.585 4.083 3.077 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2md2 1
. 4 . 635 . 1 1 5 SER HG H 2.226 2.360 1.274 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . rr_2md2 1
. 4 . 636 . 1 1 5 SER N N 2.220 4.510 0.016 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2md2 1
. 4 . 637 . 1 1 5 SER O O 3.977 6.777 2.181 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . rr_2md2 1
. 4 . 638 . 1 1 5 SER OG O 2.437 2.668 2.158 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . rr_2md2 1
. 4 . 639 . 1 1 6 LYS C C 4.623 8.697 0.217 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . rr_2md2 1
. 4 . 640 . 1 1 6 LYS CA C 5.160 7.350 -0.259 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . rr_2md2 1
. 4 . 641 . 1 1 6 LYS CB C 5.490 7.419 -1.752 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . rr_2md2 1
. 4 . 642 . 1 1 6 LYS CD C 7.447 6.142 -2.673 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . rr_2md2 1
. 4 . 643 . 1 1 6 LYS CE C 7.158 6.109 -4.166 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . rr_2md2 1
. 4 . 644 . 1 1 6 LYS CG C 6.980 7.445 -2.044 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . rr_2md2 1
. 4 . 645 . 1 1 6 LYS H H 3.920 5.704 -0.742 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . rr_2md2 1
. 4 . 646 . 1 1 6 LYS HA H 6.060 7.121 0.290 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . rr_2md2 1
. 4 . 647 . 1 1 6 LYS HB2 H 5.062 6.558 -2.243 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . rr_2md2 1
. 4 . 648 . 1 1 6 LYS HB3 H 5.048 8.315 -2.165 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . rr_2md2 1
. 4 . 649 . 1 1 6 LYS HD2 H 8.512 6.041 -2.521 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . rr_2md2 1
. 4 . 650 . 1 1 6 LYS HD3 H 6.934 5.319 -2.197 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . rr_2md2 1
. 4 . 651 . 1 1 6 LYS HE2 H 7.486 5.160 -4.561 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . rr_2md2 1
. 4 . 652 . 1 1 6 LYS HE3 H 6.094 6.214 -4.315 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . rr_2md2 1
. 4 . 653 . 1 1 6 LYS HG2 H 7.191 8.256 -2.725 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . rr_2md2 1
. 4 . 654 . 1 1 6 LYS HG3 H 7.517 7.600 -1.119 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . rr_2md2 1
. 4 . 655 . 1 1 6 LYS HZ1 H 8.356 6.823 -5.721 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . rr_2md2 1
. 4 . 656 . 1 1 6 LYS HZ2 H 8.554 7.660 -4.264 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . rr_2md2 1
. 4 . 657 . 1 1 6 LYS HZ3 H 7.174 7.919 -5.208 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . rr_2md2 1
. 4 . 658 . 1 1 6 LYS N N 4.196 6.287 -0.003 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . rr_2md2 1
. 4 . 659 . 1 1 6 LYS NZ N 7.860 7.204 -4.891 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . rr_2md2 1
. 4 . 660 . 1 1 6 LYS O O 5.390 9.616 0.499 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . rr_2md2 1
. 4 . 661 . 1 1 7 ALA C C 3.027 10.353 2.195 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . rr_2md2 1
. 4 . 662 . 1 1 7 ALA CA C 2.663 10.037 0.749 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . rr_2md2 1
. 4 . 663 . 1 1 7 ALA CB C 1.153 9.935 0.593 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . rr_2md2 1
. 4 . 664 . 1 1 7 ALA H H 2.743 8.036 0.064 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . rr_2md2 1
. 4 . 665 . 1 1 7 ALA HA H 3.012 10.841 0.116 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . rr_2md2 1
. 4 . 666 . 1 1 7 ALA HB1 H 0.746 9.357 1.410 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . rr_2md2 1
. 4 . 667 . 1 1 7 ALA HB2 H 0.723 10.925 0.602 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . rr_2md2 1
. 4 . 668 . 1 1 7 ALA HB3 H 0.920 9.450 -0.343 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . rr_2md2 1
. 4 . 669 . 1 1 7 ALA N N 3.301 8.804 0.304 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . rr_2md2 1
. 4 . 670 . 1 1 7 ALA O O 2.992 11.509 2.615 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . rr_2md2 1
. 4 . 671 . 1 1 8 GLN C C 5.223 9.175 4.567 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2md2 1
. 4 . 672 . 1 1 8 GLN CA C 3.745 9.486 4.353 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2md2 1
. 4 . 673 . 1 1 8 GLN CB C 2.888 8.582 5.240 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2md2 1
. 4 . 674 . 1 1 8 GLN CD C 2.163 6.181 4.938 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2md2 1
. 4 . 675 . 1 1 8 GLN CG C 3.316 7.124 5.218 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2md2 1
. 4 . 676 . 1 1 8 GLN H H 3.385 8.420 2.560 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2md2 1
. 4 . 677 . 1 1 8 GLN HA H 3.564 10.515 4.622 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2md2 1
. 4 . 678 . 1 1 8 GLN HB2 H 2.946 8.937 6.259 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2md2 1
. 4 . 679 . 1 1 8 GLN HB3 H 1.862 8.638 4.907 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2md2 1
. 4 . 680 . 1 1 8 GLN HE21 H 2.621 5.104 6.545 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2md2 1
. 4 . 681 . 1 1 8 GLN HE22 H 1.260 4.553 5.635 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2md2 1
. 4 . 682 . 1 1 8 GLN HG2 H 4.063 6.993 4.449 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2md2 1
. 4 . 683 . 1 1 8 GLN HG3 H 3.743 6.873 6.179 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2md2 1
. 4 . 684 . 1 1 8 GLN N N 3.376 9.317 2.952 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2md2 1
. 4 . 685 . 1 1 8 GLN NE2 N 1.998 5.177 5.792 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2md2 1
. 4 . 686 . 1 1 8 GLN O O 5.740 9.310 5.676 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2md2 1
. 4 . 687 . 1 1 8 GLN OE1 O 1.429 6.352 3.965 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2md2 1
. 4 . 688 . 1 1 9 GLU C C 8.139 9.650 3.962 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . rr_2md2 1
. 4 . 689 . 1 1 9 GLU CA C 7.314 8.426 3.573 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . rr_2md2 1
. 4 . 690 . 1 1 9 GLU CB C 7.802 7.874 2.232 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . rr_2md2 1
. 4 . 691 . 1 1 9 GLU CD C 8.539 5.809 0.978 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . rr_2md2 1
. 4 . 692 . 1 1 9 GLU CG C 7.727 6.359 2.134 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . rr_2md2 1
. 4 . 693 . 1 1 9 GLU H H 5.428 8.669 2.643 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . rr_2md2 1
. 4 . 694 . 1 1 9 GLU HA H 7.439 7.668 4.331 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . rr_2md2 1
. 4 . 695 . 1 1 9 GLU HB2 H 7.198 8.295 1.442 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . rr_2md2 1
. 4 . 696 . 1 1 9 GLU HB3 H 8.829 8.173 2.086 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . rr_2md2 1
. 4 . 697 . 1 1 9 GLU HG2 H 8.103 5.933 3.052 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . rr_2md2 1
. 4 . 698 . 1 1 9 GLU HG3 H 6.695 6.070 2.000 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . rr_2md2 1
. 4 . 699 . 1 1 9 GLU N N 5.896 8.757 3.500 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . rr_2md2 1
. 4 . 700 . 1 1 9 GLU O O 9.155 9.536 4.647 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . rr_2md2 1
. 4 . 701 . 1 1 9 GLU OE1 O 9.746 6.122 0.899 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . rr_2md2 1
. 4 . 702 . 1 1 9 GLU OE2 O 7.969 5.066 0.152 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . rr_2md2 1
. 4 . 703 . 1 1 10 LYS C C 7.411 13.133 4.299 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2md2 1
. 4 . 704 . 1 1 10 LYS CA C 8.390 12.067 3.818 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2md2 1
. 4 . 705 . 1 1 10 LYS CB C 9.139 12.568 2.582 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2md2 1
. 4 . 706 . 1 1 10 LYS CD C 7.789 14.202 1.233 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2md2 1
. 4 . 707 . 1 1 10 LYS CE C 7.975 14.717 -0.186 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2md2 1
. 4 . 708 . 1 1 10 LYS CG C 8.248 12.759 1.366 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2md2 1
. 4 . 709 . 1 1 10 LYS H H 6.878 10.847 2.975 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2md2 1
. 4 . 710 . 1 1 10 LYS HA H 9.102 11.868 4.605 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2md2 1
. 4 . 711 . 1 1 10 LYS HB2 H 9.603 13.515 2.815 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2md2 1
. 4 . 712 . 1 1 10 LYS HB3 H 9.909 11.853 2.328 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2md2 1
. 4 . 713 . 1 1 10 LYS HD2 H 6.743 14.263 1.492 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2md2 1
. 4 . 714 . 1 1 10 LYS HD3 H 8.366 14.818 1.909 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2md2 1
. 4 . 715 . 1 1 10 LYS HE2 H 7.607 13.973 -0.876 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2md2 1
. 4 . 716 . 1 1 10 LYS HE3 H 7.405 15.628 -0.301 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2md2 1
. 4 . 717 . 1 1 10 LYS HG2 H 8.801 12.486 0.480 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2md2 1
. 4 . 718 . 1 1 10 LYS HG3 H 7.381 12.122 1.464 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2md2 1
. 4 . 719 . 1 1 10 LYS HZ1 H 9.514 15.248 -1.495 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2md2 1
. 4 . 720 . 1 1 10 LYS HZ2 H 9.984 14.158 -0.290 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_2md2 1
. 4 . 721 . 1 1 10 LYS HZ3 H 9.747 15.788 0.092 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2md2 1
. 4 . 722 . 1 1 10 LYS N N 7.695 10.821 3.518 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2md2 1
. 4 . 723 . 1 1 10 LYS NZ N 9.405 14.997 -0.491 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2md2 1
. 4 . 724 . 1 1 10 LYS O O 7.453 13.552 5.456 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2md2 1
. 5 . 725 . 1 1 1 TRP C C 3.118 0.957 -1.193 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_2md2 1
. 5 . 726 . 1 1 1 TRP CA C 2.136 -0.209 -1.236 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_2md2 1
. 5 . 727 . 1 1 1 TRP CB C 1.265 -0.113 -2.489 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_2md2 1
. 5 . 728 . 1 1 1 TRP CD1 C 3.193 -1.091 -3.866 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_2md2 1
. 5 . 729 . 1 1 1 TRP CD2 C 1.615 -0.071 -5.085 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_2md2 1
. 5 . 730 . 1 1 1 TRP CE2 C 2.609 -0.560 -5.955 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_2md2 1
. 5 . 731 . 1 1 1 TRP CE3 C 0.519 0.606 -5.628 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_2md2 1
. 5 . 732 . 1 1 1 TRP CG C 2.007 -0.422 -3.754 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_2md2 1
. 5 . 733 . 1 1 1 TRP CH2 C 1.455 0.276 -7.839 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_2md2 1
. 5 . 734 . 1 1 1 TRP CZ2 C 2.539 -0.391 -7.336 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_2md2 1
. 5 . 735 . 1 1 1 TRP CZ3 C 0.451 0.773 -6.998 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_2md2 1
. 5 . 736 . 1 1 1 TRP H1 H 1.730 -0.254 0.842 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_2md2 1
. 5 . 737 . 1 1 1 TRP HA H 2.694 -1.133 -1.266 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_2md2 1
. 5 . 738 . 1 1 1 TRP HB2 H 0.445 -0.811 -2.405 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_2md2 1
. 5 . 739 . 1 1 1 TRP HB3 H 0.872 0.890 -2.569 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_2md2 1
. 5 . 740 . 1 1 1 TRP HD1 H 3.749 -1.486 -3.030 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_2md2 1
. 5 . 741 . 1 1 1 TRP HE1 H 4.372 -1.612 -5.524 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_2md2 1
. 5 . 742 . 1 1 1 TRP HE3 H -0.265 0.997 -4.996 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_2md2 1
. 5 . 743 . 1 1 1 TRP HH2 H 1.361 0.430 -8.903 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_2md2 1
. 5 . 744 . 1 1 1 TRP HZ2 H 3.304 -0.769 -7.997 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_2md2 1
. 5 . 745 . 1 1 1 TRP HZ3 H -0.388 1.295 -7.435 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_2md2 1
. 5 . 746 . 1 1 1 TRP N N 1.302 -0.231 -0.040 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_2md2 1
. 5 . 747 . 1 1 1 TRP NE1 N 3.561 -1.177 -5.187 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_2md2 1
. 5 . 748 . 1 1 1 TRP O O 2.757 2.072 -0.815 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_2md2 1
. 5 . 749 . 1 1 2 LYS C C 4.923 2.961 -2.345 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2md2 1
. 5 . 750 . 1 1 2 LYS CA C 5.394 1.721 -1.591 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2md2 1
. 5 . 751 . 1 1 2 LYS CB C 6.676 1.180 -2.229 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2md2 1
. 5 . 752 . 1 1 2 LYS CD C 6.983 -0.159 -0.126 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2md2 1
. 5 . 753 . 1 1 2 LYS CE C 7.602 -1.409 0.482 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2md2 1
. 5 . 754 . 1 1 2 LYS CG C 7.138 -0.140 -1.638 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2md2 1
. 5 . 755 . 1 1 2 LYS H H 4.587 -0.215 -1.874 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2md2 1
. 5 . 756 . 1 1 2 LYS HA H 5.599 1.994 -0.567 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2md2 1
. 5 . 757 . 1 1 2 LYS HB2 H 6.505 1.037 -3.286 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2md2 1
. 5 . 758 . 1 1 2 LYS HB3 H 7.464 1.906 -2.096 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2md2 1
. 5 . 759 . 1 1 2 LYS HD2 H 7.474 0.709 0.288 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2md2 1
. 5 . 760 . 1 1 2 LYS HD3 H 5.931 -0.132 0.119 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2md2 1
. 5 . 761 . 1 1 2 LYS HE2 H 6.904 -1.832 1.188 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2md2 1
. 5 . 762 . 1 1 2 LYS HE3 H 7.792 -2.121 -0.308 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2md2 1
. 5 . 763 . 1 1 2 LYS HG2 H 6.548 -0.940 -2.059 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2md2 1
. 5 . 764 . 1 1 2 LYS HG3 H 8.180 -0.290 -1.886 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2md2 1
. 5 . 765 . 1 1 2 LYS HZ1 H 9.274 -1.979 1.596 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2md2 1
. 5 . 766 . 1 1 2 LYS HZ2 H 8.717 -0.420 1.945 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2md2 1
. 5 . 767 . 1 1 2 LYS HZ3 H 9.571 -0.713 0.515 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2md2 1
. 5 . 768 . 1 1 2 LYS N N 4.360 0.693 -1.583 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2md2 1
. 5 . 769 . 1 1 2 LYS NZ N 8.880 -1.110 1.184 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2md2 1
. 5 . 770 . 1 1 2 LYS O O 5.150 4.090 -1.907 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2md2 1
. 5 . 771 . 1 1 3 LEU C C 2.555 4.503 -3.631 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . rr_2md2 1
. 5 . 772 . 1 1 3 LEU CA C 3.761 3.844 -4.293 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . rr_2md2 1
. 5 . 773 . 1 1 3 LEU CB C 3.381 3.341 -5.687 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . rr_2md2 1
. 5 . 774 . 1 1 3 LEU CD1 C 5.794 2.726 -5.972 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . rr_2md2 1
. 5 . 775 . 1 1 3 LEU CD2 C 4.154 2.215 -7.789 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . rr_2md2 1
. 5 . 776 . 1 1 3 LEU CG C 4.532 3.189 -6.682 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . rr_2md2 1
. 5 . 777 . 1 1 3 LEU H H 4.116 1.823 -3.776 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . rr_2md2 1
. 5 . 778 . 1 1 3 LEU HA H 4.549 4.576 -4.386 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . rr_2md2 1
. 5 . 779 . 1 1 3 LEU HB2 H 2.913 2.375 -5.573 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . rr_2md2 1
. 5 . 780 . 1 1 3 LEU HB3 H 2.669 4.037 -6.106 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . rr_2md2 1
. 5 . 781 . 1 1 3 LEU HD11 H 6.607 2.674 -6.680 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . rr_2md2 1
. 5 . 782 . 1 1 3 LEU HD12 H 5.628 1.750 -5.542 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . rr_2md2 1
. 5 . 783 . 1 1 3 LEU HD13 H 6.043 3.427 -5.188 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . rr_2md2 1
. 5 . 784 . 1 1 3 LEU HD21 H 3.078 2.163 -7.871 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . rr_2md2 1
. 5 . 785 . 1 1 3 LEU HD22 H 4.545 1.236 -7.556 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . rr_2md2 1
. 5 . 786 . 1 1 3 LEU HD23 H 4.571 2.556 -8.726 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . rr_2md2 1
. 5 . 787 . 1 1 3 LEU HG H 4.737 4.149 -7.135 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . rr_2md2 1
. 5 . 788 . 1 1 3 LEU N N 4.266 2.744 -3.479 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . rr_2md2 1
. 5 . 789 . 1 1 3 LEU O O 2.162 5.612 -3.995 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . rr_2md2 1
. 5 . 790 . 1 1 4 LEU C C 1.214 4.884 -0.577 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2md2 1
. 5 . 791 . 1 1 4 LEU CA C 0.811 4.332 -1.941 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2md2 1
. 5 . 792 . 1 1 4 LEU CB C -0.239 3.233 -1.770 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2md2 1
. 5 . 793 . 1 1 4 LEU CD1 C -1.371 3.632 0.431 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2md2 1
. 5 . 794 . 1 1 4 LEU CD2 C -1.977 5.028 -1.554 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2md2 1
. 5 . 795 . 1 1 4 LEU CG C -1.539 3.649 -1.080 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2md2 1
. 5 . 796 . 1 1 4 LEU H H 2.330 2.935 -2.411 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2md2 1
. 5 . 797 . 1 1 4 LEU HA H 0.390 5.133 -2.530 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2md2 1
. 5 . 798 . 1 1 4 LEU HB2 H -0.490 2.860 -2.751 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2md2 1
. 5 . 799 . 1 1 4 LEU HB3 H 0.206 2.439 -1.187 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2md2 1
. 5 . 800 . 1 1 4 LEU HD11 H -1.626 4.601 0.833 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2md2 1
. 5 . 801 . 1 1 4 LEU HD12 H -0.346 3.399 0.676 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2md2 1
. 5 . 802 . 1 1 4 LEU HD13 H -2.022 2.882 0.857 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2md2 1
. 5 . 803 . 1 1 4 LEU HD21 H -1.597 5.203 -2.550 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2md2 1
. 5 . 804 . 1 1 4 LEU HD22 H -1.588 5.779 -0.883 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2md2 1
. 5 . 805 . 1 1 4 LEU HD23 H -3.056 5.079 -1.565 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2md2 1
. 5 . 806 . 1 1 4 LEU HG H -2.317 2.944 -1.337 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2md2 1
. 5 . 807 . 1 1 4 LEU N N 1.972 3.813 -2.657 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2md2 1
. 5 . 808 . 1 1 4 LEU O O 0.515 5.720 -0.004 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2md2 1
. 5 . 809 . 1 1 5 SER C C 3.931 5.910 1.066 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2md2 1
. 5 . 810 . 1 1 5 SER CA C 2.840 4.857 1.233 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2md2 1
. 5 . 811 . 1 1 5 SER CB C 3.381 3.669 2.031 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2md2 1
. 5 . 812 . 1 1 5 SER H H 2.858 3.746 -0.569 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2md2 1
. 5 . 813 . 1 1 5 SER HA H 2.013 5.294 1.771 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . rr_2md2 1
. 5 . 814 . 1 1 5 SER HB2 H 4.103 3.135 1.433 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2md2 1
. 5 . 815 . 1 1 5 SER HB3 H 3.856 4.030 2.932 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2md2 1
. 5 . 816 . 1 1 5 SER HG H 2.121 2.898 3.317 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . rr_2md2 1
. 5 . 817 . 1 1 5 SER N N 2.345 4.412 -0.064 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2md2 1
. 5 . 818 . 1 1 5 SER O O 4.221 6.673 1.988 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . rr_2md2 1
. 5 . 819 . 1 1 5 SER OG O 2.339 2.779 2.390 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . rr_2md2 1
. 5 . 820 . 1 1 6 LYS C C 5.124 8.332 -0.134 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . rr_2md2 1
. 5 . 821 . 1 1 6 LYS CA C 5.592 6.906 -0.409 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . rr_2md2 1
. 5 . 822 . 1 1 6 LYS CB C 6.038 6.777 -1.867 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . rr_2md2 1
. 5 . 823 . 1 1 6 LYS CD C 5.807 8.891 -3.205 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . rr_2md2 1
. 5 . 824 . 1 1 6 LYS CE C 5.725 10.296 -2.628 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . rr_2md2 1
. 5 . 825 . 1 1 6 LYS CG C 6.747 8.011 -2.398 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . rr_2md2 1
. 5 . 826 . 1 1 6 LYS H H 4.259 5.312 -0.813 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . rr_2md2 1
. 5 . 827 . 1 1 6 LYS HA H 6.428 6.684 0.236 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . rr_2md2 1
. 5 . 828 . 1 1 6 LYS HB2 H 6.711 5.936 -1.952 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . rr_2md2 1
. 5 . 829 . 1 1 6 LYS HB3 H 5.169 6.595 -2.482 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . rr_2md2 1
. 5 . 830 . 1 1 6 LYS HD2 H 6.167 8.952 -4.221 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . rr_2md2 1
. 5 . 831 . 1 1 6 LYS HD3 H 4.820 8.450 -3.197 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . rr_2md2 1
. 5 . 832 . 1 1 6 LYS HE2 H 4.704 10.493 -2.339 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . rr_2md2 1
. 5 . 833 . 1 1 6 LYS HE3 H 6.362 10.350 -1.757 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . rr_2md2 1
. 5 . 834 . 1 1 6 LYS HG2 H 7.130 8.581 -1.565 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . rr_2md2 1
. 5 . 835 . 1 1 6 LYS HG3 H 7.566 7.700 -3.031 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . rr_2md2 1
. 5 . 836 . 1 1 6 LYS HZ1 H 6.100 10.945 -4.577 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . rr_2md2 1
. 5 . 837 . 1 1 6 LYS HZ2 H 7.142 11.609 -3.422 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . rr_2md2 1
. 5 . 838 . 1 1 6 LYS HZ3 H 5.549 12.165 -3.543 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . rr_2md2 1
. 5 . 839 . 1 1 6 LYS N N 4.533 5.947 -0.118 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . rr_2md2 1
. 5 . 840 . 1 1 6 LYS NZ N 6.159 11.325 -3.612 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . rr_2md2 1
. 5 . 841 . 1 1 6 LYS O O 5.931 9.213 0.161 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . rr_2md2 1
. 5 . 842 . 1 1 7 ALA C C 3.416 10.283 1.468 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . rr_2md2 1
. 5 . 843 . 1 1 7 ALA CA C 3.243 9.868 0.011 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . rr_2md2 1
. 5 . 844 . 1 1 7 ALA CB C 1.770 9.880 -0.371 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . rr_2md2 1
. 5 . 845 . 1 1 7 ALA H H 3.225 7.807 -0.469 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . rr_2md2 1
. 5 . 846 . 1 1 7 ALA HA H 3.759 10.578 -0.619 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . rr_2md2 1
. 5 . 847 . 1 1 7 ALA HB1 H 1.662 9.548 -1.394 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . rr_2md2 1
. 5 . 848 . 1 1 7 ALA HB2 H 1.223 9.217 0.283 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . rr_2md2 1
. 5 . 849 . 1 1 7 ALA HB3 H 1.382 10.883 -0.275 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . rr_2md2 1
. 5 . 850 . 1 1 7 ALA N N 3.817 8.550 -0.231 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . rr_2md2 1
. 5 . 851 . 1 1 7 ALA O O 3.338 11.466 1.799 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . rr_2md2 1
. 5 . 852 . 1 1 8 GLN C C 5.201 9.086 4.229 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2md2 1
. 5 . 853 . 1 1 8 GLN CA C 3.834 9.568 3.756 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2md2 1
. 5 . 854 . 1 1 8 GLN CB C 2.731 8.887 4.569 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2md2 1
. 5 . 855 . 1 1 8 GLN CD C 1.682 6.693 5.253 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2md2 1
. 5 . 856 . 1 1 8 GLN CG C 2.561 7.411 4.249 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2md2 1
. 5 . 857 . 1 1 8 GLN H H 3.702 8.380 2.010 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2md2 1
. 5 . 858 . 1 1 8 GLN HA H 3.771 10.635 3.905 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2md2 1
. 5 . 859 . 1 1 8 GLN HB2 H 2.964 8.981 5.619 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2md2 1
. 5 . 860 . 1 1 8 GLN HB3 H 1.794 9.386 4.371 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2md2 1
. 5 . 861 . 1 1 8 GLN HE21 H 1.939 4.975 4.286 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2md2 1
. 5 . 862 . 1 1 8 GLN HE22 H 0.937 4.903 5.692 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2md2 1
. 5 . 863 . 1 1 8 GLN HG2 H 2.114 7.317 3.270 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2md2 1
. 5 . 864 . 1 1 8 GLN HG3 H 3.535 6.943 4.244 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2md2 1
. 5 . 865 . 1 1 8 GLN N N 3.651 9.303 2.334 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2md2 1
. 5 . 866 . 1 1 8 GLN NE2 N 1.500 5.392 5.057 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2md2 1
. 5 . 867 . 1 1 8 GLN O O 5.588 9.314 5.374 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2md2 1
. 5 . 868 . 1 1 8 GLN OE1 O 1.171 7.300 6.195 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2md2 1
. 5 . 869 . 1 1 9 GLU C C 8.343 8.781 3.060 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . rr_2md2 1
. 5 . 870 . 1 1 9 GLU CA C 7.252 7.902 3.666 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . rr_2md2 1
. 5 . 871 . 1 1 9 GLU CB C 7.403 6.464 3.163 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . rr_2md2 1
. 5 . 872 . 1 1 9 GLU CD C 9.091 4.619 3.514 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . rr_2md2 1
. 5 . 873 . 1 1 9 GLU CG C 8.074 5.538 4.163 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . rr_2md2 1
. 5 . 874 . 1 1 9 GLU H H 5.564 8.267 2.440 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . rr_2md2 1
. 5 . 875 . 1 1 9 GLU HA H 7.354 7.910 4.740 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . rr_2md2 1
. 5 . 876 . 1 1 9 GLU HB2 H 6.423 6.069 2.939 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . rr_2md2 1
. 5 . 877 . 1 1 9 GLU HB3 H 7.993 6.472 2.259 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . rr_2md2 1
. 5 . 878 . 1 1 9 GLU HG2 H 8.577 6.136 4.908 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . rr_2md2 1
. 5 . 879 . 1 1 9 GLU HG3 H 7.317 4.933 4.639 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . rr_2md2 1
. 5 . 880 . 1 1 9 GLU N N 5.928 8.417 3.338 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . rr_2md2 1
. 5 . 881 . 1 1 9 GLU O O 9.457 8.852 3.578 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . rr_2md2 1
. 5 . 882 . 1 1 9 GLU OE1 O 8.878 4.225 2.348 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . rr_2md2 1
. 5 . 883 . 1 1 9 GLU OE2 O 10.101 4.293 4.173 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . rr_2md2 1
. 5 . 884 . 1 1 10 LYS C C 10.263 9.586 0.979 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2md2 1
. 5 . 885 . 1 1 10 LYS CA C 8.963 10.324 1.283 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2md2 1
. 5 . 886 . 1 1 10 LYS CB C 9.252 11.557 2.141 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2md2 1
. 5 . 887 . 1 1 10 LYS CD C 7.633 13.040 0.921 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2md2 1
. 5 . 888 . 1 1 10 LYS CE C 7.537 14.558 0.933 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2md2 1
. 5 . 889 . 1 1 10 LYS CG C 8.067 12.499 2.272 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2md2 1
. 5 . 890 . 1 1 10 LYS H H 7.109 9.351 1.594 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2md2 1
. 5 . 891 . 1 1 10 LYS HA H 8.517 10.640 0.352 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2md2 1
. 5 . 892 . 1 1 10 LYS HB2 H 9.540 11.233 3.130 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2md2 1
. 5 . 893 . 1 1 10 LYS HB3 H 10.072 12.104 1.698 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2md2 1
. 5 . 894 . 1 1 10 LYS HD2 H 8.354 12.743 0.174 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2md2 1
. 5 . 895 . 1 1 10 LYS HD3 H 6.665 12.629 0.672 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2md2 1
. 5 . 896 . 1 1 10 LYS HE2 H 6.888 14.871 0.129 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2md2 1
. 5 . 897 . 1 1 10 LYS HE3 H 7.116 14.871 1.877 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2md2 1
. 5 . 898 . 1 1 10 LYS HG2 H 7.241 11.963 2.716 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2md2 1
. 5 . 899 . 1 1 10 LYS HG3 H 8.346 13.326 2.909 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2md2 1
. 5 . 900 . 1 1 10 LYS HZ1 H 8.815 16.208 1.007 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2md2 1
. 5 . 901 . 1 1 10 LYS HZ2 H 9.182 15.112 -0.229 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_2md2 1
. 5 . 902 . 1 1 10 LYS HZ3 H 9.570 14.740 1.375 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2md2 1
. 5 . 903 . 1 1 10 LYS N N 8.013 9.448 1.960 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2md2 1
. 5 . 904 . 1 1 10 LYS NZ N 8.869 15.200 0.760 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2md2 1
. 5 . 905 . 1 1 10 LYS O O 11.217 10.173 0.471 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2md2 1
. 6 . 906 . 1 1 1 TRP C C 2.914 1.026 -1.420 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_2md2 1
. 6 . 907 . 1 1 1 TRP CA C 1.896 -0.108 -1.470 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_2md2 1
. 6 . 908 . 1 1 1 TRP CB C 0.991 0.055 -2.692 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_2md2 1
. 6 . 909 . 1 1 1 TRP CD1 C 2.841 -0.953 -4.151 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_2md2 1
. 6 . 910 . 1 1 1 TRP CD2 C 1.253 0.133 -5.298 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_2md2 1
. 6 . 911 . 1 1 1 TRP CE2 C 2.202 -0.369 -6.210 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_2md2 1
. 6 . 912 . 1 1 1 TRP CE3 C 0.160 0.852 -5.790 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_2md2 1
. 6 . 913 . 1 1 1 TRP CG C 1.680 -0.252 -3.987 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_2md2 1
. 6 . 914 . 1 1 1 TRP CH2 C 1.009 0.534 -8.038 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_2md2 1
. 6 . 915 . 1 1 1 TRP CZ2 C 2.089 -0.173 -7.583 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_2md2 1
. 6 . 916 . 1 1 1 TRP CZ3 C 0.050 1.046 -7.154 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_2md2 1
. 6 . 917 . 1 1 1 TRP H1 H 1.550 -0.215 0.617 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_2md2 1
. 6 . 918 . 1 1 1 TRP HA H 2.424 -1.047 -1.547 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_2md2 1
. 6 . 919 . 1 1 1 TRP HB2 H 0.146 -0.610 -2.598 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_2md2 1
. 6 . 920 . 1 1 1 TRP HB3 H 0.638 1.076 -2.735 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_2md2 1
. 6 . 921 . 1 1 1 TRP HD1 H 3.413 -1.379 -3.342 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_2md2 1
. 6 . 922 . 1 1 1 TRP HE1 H 3.947 -1.478 -5.858 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_2md2 1
. 6 . 923 . 1 1 1 TRP HE3 H -0.590 1.254 -5.125 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_2md2 1
. 6 . 924 . 1 1 1 TRP HH2 H 0.883 0.710 -9.095 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_2md2 1
. 6 . 925 . 1 1 1 TRP HZ2 H 2.820 -0.561 -8.278 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_2md2 1
. 6 . 926 . 1 1 1 TRP HZ3 H -0.788 1.599 -7.553 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_2md2 1
. 6 . 927 . 1 1 1 TRP N N 1.097 -0.144 -0.250 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_2md2 1
. 6 . 928 . 1 1 1 TRP NE1 N 3.160 -1.026 -5.485 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_2md2 1
. 6 . 929 . 1 1 1 TRP O O 2.596 2.142 -1.009 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_2md2 1
. 6 . 930 . 1 1 2 LYS C C 4.755 3.004 -2.554 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2md2 1
. 6 . 931 . 1 1 2 LYS CA C 5.205 1.729 -1.847 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2md2 1
. 6 . 932 . 1 1 2 LYS CB C 6.452 1.167 -2.533 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2md2 1
. 6 . 933 . 1 1 2 LYS CD C 6.776 -0.284 -0.508 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2md2 1
. 6 . 934 . 1 1 2 LYS CE C 7.336 -1.599 0.013 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2md2 1
. 6 . 935 . 1 1 2 LYS CG C 6.861 -0.204 -2.023 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2md2 1
. 6 . 936 . 1 1 2 LYS H H 4.332 -0.174 -2.159 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2md2 1
. 6 . 937 . 1 1 2 LYS HA H 5.443 1.965 -0.822 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2md2 1
. 6 . 938 . 1 1 2 LYS HB2 H 6.263 1.092 -3.593 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2md2 1
. 6 . 939 . 1 1 2 LYS HB3 H 7.275 1.848 -2.370 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2md2 1
. 6 . 940 . 1 1 2 LYS HD2 H 7.342 0.530 -0.081 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2md2 1
. 6 . 941 . 1 1 2 LYS HD3 H 5.740 -0.200 -0.209 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2md2 1
. 6 . 942 . 1 1 2 LYS HE2 H 6.534 -2.320 0.068 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2md2 1
. 6 . 943 . 1 1 2 LYS HE3 H 8.090 -1.951 -0.675 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2md2 1
. 6 . 944 . 1 1 2 LYS HG2 H 6.203 -0.947 -2.449 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2md2 1
. 6 . 945 . 1 1 2 LYS HG3 H 7.878 -0.404 -2.328 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2md2 1
. 6 . 946 . 1 1 2 LYS HZ1 H 7.292 -0.937 1.994 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2md2 1
. 6 . 947 . 1 1 2 LYS HZ2 H 8.833 -0.911 1.296 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2md2 1
. 6 . 948 . 1 1 2 LYS HZ3 H 8.146 -2.381 1.773 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2md2 1
. 6 . 949 . 1 1 2 LYS N N 4.139 0.734 -1.842 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2md2 1
. 6 . 950 . 1 1 2 LYS NZ N 7.944 -1.446 1.364 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2md2 1
. 6 . 951 . 1 1 2 LYS O O 4.947 4.109 -2.045 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2md2 1
. 6 . 952 . 1 1 3 LEU C C 2.548 4.704 -3.771 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . rr_2md2 1
. 6 . 953 . 1 1 3 LEU CA C 3.674 3.982 -4.503 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . rr_2md2 1
. 6 . 954 . 1 1 3 LEU CB C 3.190 3.520 -5.879 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . rr_2md2 1
. 6 . 955 . 1 1 3 LEU CD1 C 5.574 2.872 -6.300 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . rr_2md2 1
. 6 . 956 . 1 1 3 LEU CD2 C 3.815 2.324 -7.991 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . rr_2md2 1
. 6 . 957 . 1 1 3 LEU CG C 4.272 3.325 -6.941 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . rr_2md2 1
. 6 . 958 . 1 1 3 LEU H H 4.028 1.939 -4.082 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . rr_2md2 1
. 6 . 959 . 1 1 3 LEU HA H 4.500 4.666 -4.633 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . rr_2md2 1
. 6 . 960 . 1 1 3 LEU HB2 H 2.680 2.577 -5.750 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . rr_2md2 1
. 6 . 961 . 1 1 3 LEU HB3 H 2.491 4.257 -6.247 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . rr_2md2 1
. 6 . 962 . 1 1 3 LEU HD11 H 6.330 2.757 -7.062 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . rr_2md2 1
. 6 . 963 . 1 1 3 LEU HD12 H 5.419 1.926 -5.801 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . rr_2md2 1
. 6 . 964 . 1 1 3 LEU HD13 H 5.897 3.609 -5.580 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . rr_2md2 1
. 6 . 965 . 1 1 3 LEU HD21 H 4.199 2.614 -8.957 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . rr_2md2 1
. 6 . 966 . 1 1 3 LEU HD22 H 2.735 2.304 -8.024 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . rr_2md2 1
. 6 . 967 . 1 1 3 LEU HD23 H 4.184 1.341 -7.736 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . rr_2md2 1
. 6 . 968 . 1 1 3 LEU HG H 4.455 4.269 -7.436 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . rr_2md2 1
. 6 . 969 . 1 1 3 LEU N N 4.153 2.844 -3.727 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . rr_2md2 1
. 6 . 970 . 1 1 3 LEU O O 2.233 5.856 -4.075 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . rr_2md2 1
. 6 . 971 . 1 1 4 LEU C C 1.357 5.109 -0.678 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2md2 1
. 6 . 972 . 1 1 4 LEU CA C 0.854 4.599 -2.025 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2md2 1
. 6 . 973 . 1 1 4 LEU CB C -0.250 3.563 -1.812 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2md2 1
. 6 . 974 . 1 1 4 LEU CD1 C -2.556 3.139 -0.926 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2md2 1
. 6 . 975 . 1 1 4 LEU CD2 C -0.650 3.458 0.661 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2md2 1
. 6 . 976 . 1 1 4 LEU CG C -1.239 3.859 -0.684 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2md2 1
. 6 . 977 . 1 1 4 LEU H H 2.240 3.109 -2.607 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2md2 1
. 6 . 978 . 1 1 4 LEU HA H 0.453 5.431 -2.584 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2md2 1
. 6 . 979 . 1 1 4 LEU HB2 H -0.811 3.483 -2.730 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2md2 1
. 6 . 980 . 1 1 4 LEU HB3 H 0.224 2.615 -1.598 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2md2 1
. 6 . 981 . 1 1 4 LEU HD11 H -3.172 3.208 -0.042 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2md2 1
. 6 . 982 . 1 1 4 LEU HD12 H -2.363 2.100 -1.150 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2md2 1
. 6 . 983 . 1 1 4 LEU HD13 H -3.069 3.597 -1.760 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2md2 1
. 6 . 984 . 1 1 4 LEU HD21 H -0.137 4.303 1.096 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2md2 1
. 6 . 985 . 1 1 4 LEU HD22 H 0.049 2.646 0.520 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2md2 1
. 6 . 986 . 1 1 4 LEU HD23 H -1.443 3.138 1.321 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2md2 1
. 6 . 987 . 1 1 4 LEU HG H -1.440 4.921 -0.659 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2md2 1
. 6 . 988 . 1 1 4 LEU N N 1.945 4.022 -2.804 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2md2 1
. 6 . 989 . 1 1 4 LEU O O 0.773 6.019 -0.091 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2md2 1
. 6 . 990 . 1 1 5 SER C C 4.020 6.052 0.900 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2md2 1
. 6 . 991 . 1 1 5 SER CA C 3.025 4.909 1.083 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2md2 1
. 6 . 992 . 1 1 5 SER CB C 3.719 3.715 1.741 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2md2 1
. 6 . 993 . 1 1 5 SER H H 2.865 3.796 -0.711 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2md2 1
. 6 . 994 . 1 1 5 SER HA H 2.223 5.246 1.722 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . rr_2md2 1
. 6 . 995 . 1 1 5 SER HB2 H 4.452 3.308 1.061 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2md2 1
. 6 . 996 . 1 1 5 SER HB3 H 4.209 4.041 2.646 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2md2 1
. 6 . 997 . 1 1 5 SER HG H 3.181 2.089 2.693 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . rr_2md2 1
. 6 . 998 . 1 1 5 SER N N 2.445 4.517 -0.196 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2md2 1
. 6 . 999 . 1 1 5 SER O O 4.269 6.828 1.822 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . rr_2md2 1
. 6 . 1000 . 1 1 5 SER OG O 2.785 2.699 2.067 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . rr_2md2 1
. 6 . 1001 . 1 1 6 LYS C C 4.978 8.574 -0.303 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . rr_2md2 1
. 6 . 1002 . 1 1 6 LYS CA C 5.554 7.194 -0.606 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . rr_2md2 1
. 6 . 1003 . 1 1 6 LYS CB C 5.971 7.116 -2.076 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . rr_2md2 1
. 6 . 1004 . 1 1 6 LYS CD C 8.018 5.811 -2.723 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . rr_2md2 1
. 6 . 1005 . 1 1 6 LYS CE C 9.433 5.588 -2.212 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . rr_2md2 1
. 6 . 1006 . 1 1 6 LYS CG C 7.475 7.161 -2.285 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . rr_2md2 1
. 6 . 1007 . 1 1 6 LYS H H 4.348 5.498 -0.993 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . rr_2md2 1
. 6 . 1008 . 1 1 6 LYS HA H 6.423 7.036 0.015 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . rr_2md2 1
. 6 . 1009 . 1 1 6 LYS HB2 H 5.598 6.193 -2.495 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . rr_2md2 1
. 6 . 1010 . 1 1 6 LYS HB3 H 5.530 7.947 -2.608 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . rr_2md2 1
. 6 . 1011 . 1 1 6 LYS HD2 H 7.380 5.033 -2.332 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . rr_2md2 1
. 6 . 1012 . 1 1 6 LYS HD3 H 8.023 5.768 -3.803 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . rr_2md2 1
. 6 . 1013 . 1 1 6 LYS HE2 H 9.911 6.547 -2.084 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . rr_2md2 1
. 6 . 1014 . 1 1 6 LYS HE3 H 9.383 5.081 -1.260 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . rr_2md2 1
. 6 . 1015 . 1 1 6 LYS HG2 H 7.701 7.892 -3.047 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . rr_2md2 1
. 6 . 1016 . 1 1 6 LYS HG3 H 7.950 7.447 -1.357 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . rr_2md2 1
. 6 . 1017 . 1 1 6 LYS HZ1 H 10.576 5.356 -3.946 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . rr_2md2 1
. 6 . 1018 . 1 1 6 LYS HZ2 H 9.662 3.991 -3.539 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . rr_2md2 1
. 6 . 1019 . 1 1 6 LYS HZ3 H 11.063 4.362 -2.666 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . rr_2md2 1
. 6 . 1020 . 1 1 6 LYS N N 4.587 6.148 -0.298 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . rr_2md2 1
. 6 . 1021 . 1 1 6 LYS NZ N 10.240 4.767 -3.157 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . rr_2md2 1
. 6 . 1022 . 1 1 6 LYS O O 5.718 9.538 -0.110 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . rr_2md2 1
. 6 . 1023 . 1 1 7 ALA C C 3.250 10.380 1.451 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . rr_2md2 1
. 6 . 1024 . 1 1 7 ALA CA C 2.977 9.920 0.023 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . rr_2md2 1
. 6 . 1025 . 1 1 7 ALA CB C 1.480 9.782 -0.212 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . rr_2md2 1
. 6 . 1026 . 1 1 7 ALA H H 3.116 7.856 -0.422 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . rr_2md2 1
. 6 . 1027 . 1 1 7 ALA HA H 3.357 10.664 -0.663 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . rr_2md2 1
. 6 . 1028 . 1 1 7 ALA HB1 H 0.947 10.404 0.492 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . rr_2md2 1
. 6 . 1029 . 1 1 7 ALA HB2 H 1.244 10.093 -1.219 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . rr_2md2 1
. 6 . 1030 . 1 1 7 ALA HB3 H 1.189 8.752 -0.076 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . rr_2md2 1
. 6 . 1031 . 1 1 7 ALA N N 3.652 8.660 -0.260 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . rr_2md2 1
. 6 . 1032 . 1 1 7 ALA O O 3.148 11.567 1.760 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . rr_2md2 1
. 6 . 1033 . 1 1 8 GLN C C 5.359 9.533 4.026 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2md2 1
. 6 . 1034 . 1 1 8 GLN CA C 3.881 9.742 3.713 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2md2 1
. 6 . 1035 . 1 1 8 GLN CB C 3.024 8.873 4.635 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2md2 1
. 6 . 1036 . 1 1 8 GLN CD C 0.778 7.795 5.055 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2md2 1
. 6 . 1037 . 1 1 8 GLN CG C 1.595 8.697 4.150 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2md2 1
. 6 . 1038 . 1 1 8 GLN H H 3.660 8.505 2.010 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2md2 1
. 6 . 1039 . 1 1 8 GLN HA H 3.634 10.780 3.880 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2md2 1
. 6 . 1040 . 1 1 8 GLN HB2 H 3.478 7.896 4.714 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2md2 1
. 6 . 1041 . 1 1 8 GLN HB3 H 2.996 9.328 5.615 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2md2 1
. 6 . 1042 . 1 1 8 GLN HE21 H 0.167 9.366 6.110 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2md2 1
. 6 . 1043 . 1 1 8 GLN HE22 H -0.434 7.832 6.630 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2md2 1
. 6 . 1044 . 1 1 8 GLN HG2 H 1.119 9.666 4.110 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2md2 1
. 6 . 1045 . 1 1 8 GLN HG3 H 1.615 8.266 3.160 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2md2 1
. 6 . 1046 . 1 1 8 GLN N N 3.596 9.433 2.317 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2md2 1
. 6 . 1047 . 1 1 8 GLN NE2 N 0.102 8.390 6.031 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2md2 1
. 6 . 1048 . 1 1 8 GLN O O 5.812 9.805 5.137 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2md2 1
. 6 . 1049 . 1 1 8 GLN OE1 O 0.755 6.576 4.880 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2md2 1
. 6 . 1050 . 1 1 9 GLU C C 8.355 9.956 2.650 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . rr_2md2 1
. 6 . 1051 . 1 1 9 GLU CA C 7.532 8.800 3.210 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . rr_2md2 1
. 6 . 1052 . 1 1 9 GLU CB C 7.932 7.493 2.521 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . rr_2md2 1
. 6 . 1053 . 1 1 9 GLU CD C 9.800 5.849 2.090 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . rr_2md2 1
. 6 . 1054 . 1 1 9 GLU CG C 9.263 6.936 2.999 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . rr_2md2 1
. 6 . 1055 . 1 1 9 GLU H H 5.686 8.849 2.175 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . rr_2md2 1
. 6 . 1056 . 1 1 9 GLU HA H 7.728 8.713 4.268 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . rr_2md2 1
. 6 . 1057 . 1 1 9 GLU HB2 H 7.168 6.754 2.706 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . rr_2md2 1
. 6 . 1058 . 1 1 9 GLU HB3 H 8.001 7.668 1.457 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . rr_2md2 1
. 6 . 1059 . 1 1 9 GLU HG2 H 9.982 7.740 3.037 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . rr_2md2 1
. 6 . 1060 . 1 1 9 GLU HG3 H 9.131 6.525 3.989 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . rr_2md2 1
. 6 . 1061 . 1 1 9 GLU N N 6.105 9.046 3.038 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . rr_2md2 1
. 6 . 1062 . 1 1 9 GLU O O 9.443 10.255 3.143 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . rr_2md2 1
. 6 . 1063 . 1 1 9 GLU OE1 O 10.269 6.182 0.981 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . rr_2md2 1
. 6 . 1064 . 1 1 9 GLU OE2 O 9.752 4.666 2.486 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . rr_2md2 1
. 6 . 1065 . 1 1 10 LYS C C 9.905 11.323 0.516 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2md2 1
. 6 . 1066 . 1 1 10 LYS CA C 8.512 11.728 0.988 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2md2 1
. 6 . 1067 . 1 1 10 LYS CB C 8.614 12.900 1.966 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2md2 1
. 6 . 1068 . 1 1 10 LYS CD C 6.418 14.117 1.888 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2md2 1
. 6 . 1069 . 1 1 10 LYS CE C 6.053 15.294 2.779 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2md2 1
. 6 . 1070 . 1 1 10 LYS CG C 7.886 14.148 1.497 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2md2 1
. 6 . 1071 . 1 1 10 LYS H H 6.957 10.318 1.267 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2md2 1
. 6 . 1072 . 1 1 10 LYS HA H 7.930 12.033 0.132 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2md2 1
. 6 . 1073 . 1 1 10 LYS HB2 H 8.195 12.599 2.915 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2md2 1
. 6 . 1074 . 1 1 10 LYS HB3 H 9.656 13.148 2.104 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2md2 1
. 6 . 1075 . 1 1 10 LYS HD2 H 5.815 14.158 0.993 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2md2 1
. 6 . 1076 . 1 1 10 LYS HD3 H 6.215 13.198 2.419 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2md2 1
. 6 . 1077 . 1 1 10 LYS HE2 H 6.226 16.209 2.233 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2md2 1
. 6 . 1078 . 1 1 10 LYS HE3 H 5.007 15.222 3.038 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2md2 1
. 6 . 1079 . 1 1 10 LYS HG2 H 8.348 15.014 1.946 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2md2 1
. 6 . 1080 . 1 1 10 LYS HG3 H 7.961 14.215 0.421 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2md2 1
. 6 . 1081 . 1 1 10 LYS HZ1 H 6.243 15.210 4.858 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2md2 1
. 6 . 1082 . 1 1 10 LYS HZ2 H 7.377 16.215 4.106 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_2md2 1
. 6 . 1083 . 1 1 10 LYS HZ3 H 7.550 14.535 4.023 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2md2 1
. 6 . 1084 . 1 1 10 LYS N N 7.828 10.603 1.616 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2md2 1
. 6 . 1085 . 1 1 10 LYS NZ N 6.862 15.315 4.029 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2md2 1
. 6 . 1086 . 1 1 10 LYS O O 10.756 12.175 0.260 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2md2 1
. 7 . 1087 . 1 1 1 TRP C C 3.600 1.316 -0.918 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_2md2 1
. 7 . 1088 . 1 1 1 TRP CA C 2.834 -0.002 -0.945 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_2md2 1
. 7 . 1089 . 1 1 1 TRP CB C 1.987 -0.087 -2.216 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_2md2 1
. 7 . 1090 . 1 1 1 TRP CD1 C 4.084 -0.753 -3.531 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_2md2 1
. 7 . 1091 . 1 1 1 TRP CD2 C 2.382 -0.050 -4.806 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_2md2 1
. 7 . 1092 . 1 1 1 TRP CE2 C 3.464 -0.382 -5.644 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_2md2 1
. 7 . 1093 . 1 1 1 TRP CE3 C 1.199 0.415 -5.386 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_2md2 1
. 7 . 1094 . 1 1 1 TRP CG C 2.799 -0.295 -3.459 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_2md2 1
. 7 . 1095 . 1 1 1 TRP CH2 C 2.226 0.196 -7.571 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_2md2 1
. 7 . 1096 . 1 1 1 TRP CZ2 C 3.397 -0.262 -7.030 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_2md2 1
. 7 . 1097 . 1 1 1 TRP CZ3 C 1.134 0.535 -6.761 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_2md2 1
. 7 . 1098 . 1 1 1 TRP H1 H 2.397 -0.068 1.125 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_2md2 1
. 7 . 1099 . 1 1 1 TRP HA H 3.543 -0.817 -0.941 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_2md2 1
. 7 . 1100 . 1 1 1 TRP HB2 H 1.298 -0.914 -2.127 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_2md2 1
. 7 . 1101 . 1 1 1 TRP HB3 H 1.430 0.831 -2.331 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_2md2 1
. 7 . 1102 . 1 1 1 TRP HD1 H 4.681 -1.026 -2.675 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_2md2 1
. 7 . 1103 . 1 1 1 TRP HE1 H 5.372 -1.105 -5.153 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_2md2 1
. 7 . 1104 . 1 1 1 TRP HE3 H 0.346 0.681 -4.779 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_2md2 1
. 7 . 1105 . 1 1 1 TRP HH2 H 2.131 0.306 -8.640 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_2md2 1
. 7 . 1106 . 1 1 1 TRP HZ2 H 4.230 -0.519 -7.667 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_2md2 1
. 7 . 1107 . 1 1 1 TRP HZ3 H 0.228 0.893 -7.228 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_2md2 1
. 7 . 1108 . 1 1 1 TRP N N 1.990 -0.138 0.236 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_2md2 1
. 7 . 1109 . 1 1 1 TRP NE1 N 4.490 -0.808 -4.843 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_2md2 1
. 7 . 1110 . 1 1 1 TRP O O 3.046 2.361 -0.578 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_2md2 1
. 7 . 1111 . 1 1 2 LYS C C 5.061 3.572 -2.094 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2md2 1
. 7 . 1112 . 1 1 2 LYS CA C 5.721 2.450 -1.297 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2md2 1
. 7 . 1113 . 1 1 2 LYS CB C 7.090 2.122 -1.897 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2md2 1
. 7 . 1114 . 1 1 2 LYS CD C 7.576 0.907 0.247 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2md2 1
. 7 . 1115 . 1 1 2 LYS CE C 8.385 -0.202 0.901 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2md2 1
. 7 . 1116 . 1 1 2 LYS CG C 7.758 0.915 -1.261 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2md2 1
. 7 . 1117 . 1 1 2 LYS H H 5.264 0.398 -1.540 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2md2 1
. 7 . 1118 . 1 1 2 LYS HA H 5.853 2.779 -0.278 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2md2 1
. 7 . 1119 . 1 1 2 LYS HB2 H 6.970 1.926 -2.952 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2md2 1
. 7 . 1120 . 1 1 2 LYS HB3 H 7.739 2.976 -1.770 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2md2 1
. 7 . 1121 . 1 1 2 LYS HD2 H 7.901 1.857 0.646 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2md2 1
. 7 . 1122 . 1 1 2 LYS HD3 H 6.529 0.759 0.474 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2md2 1
. 7 . 1123 . 1 1 2 LYS HE2 H 9.383 -0.192 0.490 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2md2 1
. 7 . 1124 . 1 1 2 LYS HE3 H 8.432 -0.018 1.964 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2md2 1
. 7 . 1125 . 1 1 2 LYS HG2 H 7.323 0.016 -1.670 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2md2 1
. 7 . 1126 . 1 1 2 LYS HG3 H 8.815 0.941 -1.486 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2md2 1
. 7 . 1127 . 1 1 2 LYS HZ1 H 7.984 -2.172 1.470 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2md2 1
. 7 . 1128 . 1 1 2 LYS HZ2 H 8.168 -1.964 -0.199 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2md2 1
. 7 . 1129 . 1 1 2 LYS HZ3 H 6.748 -1.455 0.564 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2md2 1
. 7 . 1130 . 1 1 2 LYS N N 4.878 1.261 -1.279 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2md2 1
. 7 . 1131 . 1 1 2 LYS NZ N 7.779 -1.542 0.668 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2md2 1
. 7 . 1132 . 1 1 2 LYS O O 5.081 4.733 -1.683 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2md2 1
. 7 . 1133 . 1 1 3 LEU C C 2.494 4.652 -3.465 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . rr_2md2 1
. 7 . 1134 . 1 1 3 LEU CA C 3.810 4.194 -4.087 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . rr_2md2 1
. 7 . 1135 . 1 1 3 LEU CB C 3.552 3.599 -5.472 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . rr_2md2 1
. 7 . 1136 . 1 1 3 LEU CD1 C 6.040 3.398 -5.698 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . rr_2md2 1
. 7 . 1137 . 1 1 3 LEU CD2 C 4.551 2.572 -7.529 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . rr_2md2 1
. 7 . 1138 . 1 1 3 LEU CG C 4.733 3.621 -6.442 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . rr_2md2 1
. 7 . 1139 . 1 1 3 LEU H H 4.494 2.278 -3.508 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . rr_2md2 1
. 7 . 1140 . 1 1 3 LEU HA H 4.463 5.048 -4.187 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . rr_2md2 1
. 7 . 1141 . 1 1 3 LEU HB2 H 3.253 2.571 -5.339 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . rr_2md2 1
. 7 . 1142 . 1 1 3 LEU HB3 H 2.741 4.153 -5.923 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . rr_2md2 1
. 7 . 1143 . 1 1 3 LEU HD11 H 6.866 3.472 -6.389 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . rr_2md2 1
. 7 . 1144 . 1 1 3 LEU HD12 H 6.035 2.416 -5.247 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . rr_2md2 1
. 7 . 1145 . 1 1 3 LEU HD13 H 6.148 4.147 -4.927 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . rr_2md2 1
. 7 . 1146 . 1 1 3 LEU HD21 H 4.921 2.957 -8.468 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . rr_2md2 1
. 7 . 1147 . 1 1 3 LEU HD22 H 3.502 2.333 -7.626 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . rr_2md2 1
. 7 . 1148 . 1 1 3 LEU HD23 H 5.099 1.679 -7.264 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . rr_2md2 1
. 7 . 1149 . 1 1 3 LEU HG H 4.782 4.591 -6.918 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . rr_2md2 1
. 7 . 1150 . 1 1 3 LEU N N 4.477 3.218 -3.233 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . rr_2md2 1
. 7 . 1151 . 1 1 3 LEU O O 1.926 5.669 -3.866 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . rr_2md2 1
. 7 . 1152 . 1 1 4 LEU C C 1.041 4.876 -0.448 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2md2 1
. 7 . 1153 . 1 1 4 LEU CA C 0.768 4.227 -1.802 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2md2 1
. 7 . 1154 . 1 1 4 LEU CB C -0.081 2.968 -1.615 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2md2 1
. 7 . 1155 . 1 1 4 LEU CD1 C -1.401 3.292 0.491 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2md2 1
. 7 . 1156 . 1 1 4 LEU CD2 C -2.123 4.422 -1.620 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2md2 1
. 7 . 1157 . 1 1 4 LEU CG C -1.475 3.181 -1.024 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2md2 1
. 7 . 1158 . 1 1 4 LEU H H 2.513 3.100 -2.206 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2md2 1
. 7 . 1159 . 1 1 4 LEU HA H 0.229 4.927 -2.421 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2md2 1
. 7 . 1160 . 1 1 4 LEU HB2 H -0.200 2.503 -2.582 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2md2 1
. 7 . 1161 . 1 1 4 LEU HB3 H 0.459 2.300 -0.960 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2md2 1
. 7 . 1162 . 1 1 4 LEU HD11 H -0.369 3.248 0.805 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2md2 1
. 7 . 1163 . 1 1 4 LEU HD12 H -1.948 2.475 0.938 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2md2 1
. 7 . 1164 . 1 1 4 LEU HD13 H -1.835 4.230 0.805 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2md2 1
. 7 . 1165 . 1 1 4 LEU HD21 H -3.130 4.520 -1.241 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2md2 1
. 7 . 1166 . 1 1 4 LEU HD22 H -2.150 4.332 -2.696 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2md2 1
. 7 . 1167 . 1 1 4 LEU HD23 H -1.549 5.295 -1.346 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2md2 1
. 7 . 1168 . 1 1 4 LEU HG H -2.096 2.329 -1.266 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2md2 1
. 7 . 1169 . 1 1 4 LEU N N 2.016 3.897 -2.482 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2md2 1
. 7 . 1170 . 1 1 4 LEU O O 0.198 5.597 0.086 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2md2 1
. 7 . 1171 . 1 1 5 SER C C 3.504 6.393 1.212 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2md2 1
. 7 . 1172 . 1 1 5 SER CA C 2.606 5.173 1.392 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2md2 1
. 7 . 1173 . 1 1 5 SER CB C 3.324 4.116 2.234 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2md2 1
. 7 . 1174 . 1 1 5 SER H H 2.852 4.032 -0.375 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2md2 1
. 7 . 1175 . 1 1 5 SER HA H 1.704 5.476 1.902 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . rr_2md2 1
. 7 . 1176 . 1 1 5 SER HB2 H 4.136 3.695 1.662 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2md2 1
. 7 . 1177 . 1 1 5 SER HB3 H 3.715 4.578 3.129 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2md2 1
. 7 . 1178 . 1 1 5 SER HG H 2.683 2.267 2.148 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . rr_2md2 1
. 7 . 1179 . 1 1 5 SER N N 2.223 4.615 0.100 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2md2 1
. 7 . 1180 . 1 1 5 SER O O 3.641 7.216 2.117 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . rr_2md2 1
. 7 . 1181 . 1 1 5 SER OG O 2.439 3.074 2.607 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . rr_2md2 1
. 7 . 1182 . 1 1 6 LYS C C 4.292 8.952 -0.036 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . rr_2md2 1
. 7 . 1183 . 1 1 6 LYS CA C 5.001 7.621 -0.264 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . rr_2md2 1
. 7 . 1184 . 1 1 6 LYS CB C 5.492 7.534 -1.711 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . rr_2md2 1
. 7 . 1185 . 1 1 6 LYS CD C 4.930 9.543 -3.110 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . rr_2md2 1
. 7 . 1186 . 1 1 6 LYS CE C 4.599 10.927 -2.574 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . rr_2md2 1
. 7 . 1187 . 1 1 6 LYS CG C 5.990 8.857 -2.264 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . rr_2md2 1
. 7 . 1188 . 1 1 6 LYS H H 3.967 5.813 -0.644 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . rr_2md2 1
. 7 . 1189 . 1 1 6 LYS HA H 5.850 7.560 0.400 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . rr_2md2 1
. 7 . 1190 . 1 1 6 LYS HB2 H 6.300 6.818 -1.762 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . rr_2md2 1
. 7 . 1191 . 1 1 6 LYS HB3 H 4.679 7.190 -2.334 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . rr_2md2 1
. 7 . 1192 . 1 1 6 LYS HD2 H 5.296 9.639 -4.122 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . rr_2md2 1
. 7 . 1193 . 1 1 6 LYS HD3 H 4.033 8.940 -3.105 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . rr_2md2 1
. 7 . 1194 . 1 1 6 LYS HE2 H 3.554 10.954 -2.307 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . rr_2md2 1
. 7 . 1195 . 1 1 6 LYS HE3 H 5.199 11.111 -1.695 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . rr_2md2 1
. 7 . 1196 . 1 1 6 LYS HG2 H 6.254 9.505 -1.442 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . rr_2md2 1
. 7 . 1197 . 1 1 6 LYS HG3 H 6.863 8.675 -2.875 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . rr_2md2 1
. 7 . 1198 . 1 1 6 LYS HZ1 H 4.040 12.128 -4.189 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . rr_2md2 1
. 7 . 1199 . 1 1 6 LYS HZ2 H 5.683 11.723 -4.172 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . rr_2md2 1
. 7 . 1200 . 1 1 6 LYS HZ3 H 5.088 12.888 -3.100 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . rr_2md2 1
. 7 . 1201 . 1 1 6 LYS N N 4.116 6.502 0.038 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . rr_2md2 1
. 7 . 1202 . 1 1 6 LYS NZ N 4.871 11.991 -3.579 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . rr_2md2 1
. 7 . 1203 . 1 1 6 LYS O O 4.930 9.965 0.247 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . rr_2md2 1
. 7 . 1204 . 1 1 7 ALA C C 2.244 10.622 1.484 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . rr_2md2 1
. 7 . 1205 . 1 1 7 ALA CA C 2.173 10.147 0.037 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . rr_2md2 1
. 7 . 1206 . 1 1 7 ALA CB C 0.728 9.898 -0.369 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . rr_2md2 1
. 7 . 1207 . 1 1 7 ALA H H 2.516 8.102 -0.386 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . rr_2md2 1
. 7 . 1208 . 1 1 7 ALA HA H 2.573 10.919 -0.605 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . rr_2md2 1
. 7 . 1209 . 1 1 7 ALA HB1 H 0.693 9.602 -1.407 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . rr_2md2 1
. 7 . 1210 . 1 1 7 ALA HB2 H 0.313 9.112 0.244 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . rr_2md2 1
. 7 . 1211 . 1 1 7 ALA HB3 H 0.155 10.803 -0.232 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . rr_2md2 1
. 7 . 1212 . 1 1 7 ALA N N 2.968 8.941 -0.159 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . rr_2md2 1
. 7 . 1213 . 1 1 7 ALA O O 1.959 11.782 1.781 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . rr_2md2 1
. 7 . 1214 . 1 1 8 GLN C C 4.152 9.816 4.304 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2md2 1
. 7 . 1215 . 1 1 8 GLN CA C 2.732 10.045 3.798 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2md2 1
. 7 . 1216 . 1 1 8 GLN CB C 1.746 9.206 4.612 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2md2 1
. 7 . 1217 . 1 1 8 GLN CD C 1.016 6.888 5.305 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2md2 1
. 7 . 1218 . 1 1 8 GLN CG C 1.852 7.713 4.346 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2md2 1
. 7 . 1219 . 1 1 8 GLN H H 2.839 8.809 2.083 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2md2 1
. 7 . 1220 . 1 1 8 GLN HA H 2.485 11.089 3.916 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2md2 1
. 7 . 1221 . 1 1 8 GLN HB2 H 1.928 9.377 5.663 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2md2 1
. 7 . 1222 . 1 1 8 GLN HB3 H 0.740 9.521 4.374 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2md2 1
. 7 . 1223 . 1 1 8 GLN HE21 H 1.047 5.349 4.046 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2md2 1
. 7 . 1224 . 1 1 8 GLN HE22 H 0.177 5.099 5.518 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2md2 1
. 7 . 1225 . 1 1 8 GLN HG2 H 1.516 7.515 3.339 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2md2 1
. 7 . 1226 . 1 1 8 GLN HG3 H 2.885 7.416 4.444 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2md2 1
. 7 . 1227 . 1 1 8 GLN N N 2.625 9.718 2.381 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2md2 1
. 7 . 1228 . 1 1 8 GLN NE2 N 0.716 5.654 4.917 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2md2 1
. 7 . 1229 . 1 1 8 GLN O O 4.471 10.137 5.448 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2md2 1
. 7 . 1230 . 1 1 8 GLN OE1 O 0.644 7.355 6.382 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2md2 1
. 7 . 1231 . 1 1 9 GLU C C 7.317 10.049 3.231 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . rr_2md2 1
. 7 . 1232 . 1 1 9 GLU CA C 6.385 8.987 3.806 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . rr_2md2 1
. 7 . 1233 . 1 1 9 GLU CB C 6.803 7.602 3.307 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . rr_2md2 1
. 7 . 1234 . 1 1 9 GLU CD C 6.695 5.454 4.632 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . rr_2md2 1
. 7 . 1235 . 1 1 9 GLU CG C 5.921 6.477 3.824 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . rr_2md2 1
. 7 . 1236 . 1 1 9 GLU H H 4.685 9.026 2.546 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . rr_2md2 1
. 7 . 1237 . 1 1 9 GLU HA H 6.457 9.008 4.883 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . rr_2md2 1
. 7 . 1238 . 1 1 9 GLU HB2 H 6.765 7.595 2.228 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . rr_2md2 1
. 7 . 1239 . 1 1 9 GLU HB3 H 7.817 7.410 3.624 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . rr_2md2 1
. 7 . 1240 . 1 1 9 GLU HG2 H 5.151 6.900 4.451 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . rr_2md2 1
. 7 . 1241 . 1 1 9 GLU HG3 H 5.465 5.979 2.982 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . rr_2md2 1
. 7 . 1242 . 1 1 9 GLU N N 4.999 9.259 3.444 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . rr_2md2 1
. 7 . 1243 . 1 1 9 GLU O O 7.925 10.824 3.969 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . rr_2md2 1
. 7 . 1244 . 1 1 9 GLU OE1 O 7.328 5.844 5.636 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . rr_2md2 1
. 7 . 1245 . 1 1 9 GLU OE2 O 6.668 4.262 4.261 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . rr_2md2 1
. 7 . 1246 . 1 1 10 LYS C C 7.491 12.289 0.835 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2md2 1
. 7 . 1247 . 1 1 10 LYS CA C 8.281 11.045 1.230 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2md2 1
. 7 . 1248 . 1 1 10 LYS CB C 8.914 10.414 -0.012 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2md2 1
. 7 . 1249 . 1 1 10 LYS CD C 11.014 9.557 1.066 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2md2 1
. 7 . 1250 . 1 1 10 LYS CE C 12.273 9.222 0.280 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2md2 1
. 7 . 1251 . 1 1 10 LYS CG C 9.760 9.190 0.291 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2md2 1
. 7 . 1252 . 1 1 10 LYS H H 6.915 9.435 1.372 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2md2 1
. 7 . 1253 . 1 1 10 LYS HA H 9.063 11.333 1.916 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2md2 1
. 7 . 1254 . 1 1 10 LYS HB2 H 8.129 10.124 -0.694 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2md2 1
. 7 . 1255 . 1 1 10 LYS HB3 H 9.543 11.149 -0.494 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2md2 1
. 7 . 1256 . 1 1 10 LYS HD2 H 11.003 10.617 1.272 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2md2 1
. 7 . 1257 . 1 1 10 LYS HD3 H 11.025 9.008 1.997 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2md2 1
. 7 . 1258 . 1 1 10 LYS HE2 H 13.117 9.243 0.952 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2md2 1
. 7 . 1259 . 1 1 10 LYS HE3 H 12.169 8.230 -0.135 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2md2 1
. 7 . 1260 . 1 1 10 LYS HG2 H 9.176 8.497 0.880 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2md2 1
. 7 . 1261 . 1 1 10 LYS HG3 H 10.047 8.722 -0.640 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2md2 1
. 7 . 1262 . 1 1 10 LYS HZ1 H 11.687 10.817 -0.935 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2md2 1
. 7 . 1263 . 1 1 10 LYS HZ2 H 12.662 9.679 -1.720 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_2md2 1
. 7 . 1264 . 1 1 10 LYS HZ3 H 13.348 10.768 -0.623 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2md2 1
. 7 . 1265 . 1 1 10 LYS N N 7.425 10.079 1.907 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2md2 1
. 7 . 1266 . 1 1 10 LYS NZ N 12.509 10.189 -0.827 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2md2 1
. 7 . 1267 . 1 1 10 LYS O O 6.364 12.490 1.287 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2md2 1
. 8 . 1268 . 1 1 1 TRP C C 2.908 1.247 -1.177 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_2md2 1
. 8 . 1269 . 1 1 1 TRP CA C 1.876 0.128 -1.264 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_2md2 1
. 8 . 1270 . 1 1 1 TRP CB C 1.024 0.300 -2.523 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_2md2 1
. 8 . 1271 . 1 1 1 TRP CD1 C 2.924 -0.722 -3.907 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_2md2 1
. 8 . 1272 . 1 1 1 TRP CD2 C 1.405 0.397 -5.113 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_2md2 1
. 8 . 1273 . 1 1 1 TRP CE2 C 2.386 -0.111 -5.986 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_2md2 1
. 8 . 1274 . 1 1 1 TRP CE3 C 0.345 1.136 -5.648 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_2md2 1
. 8 . 1275 . 1 1 1 TRP CG C 1.767 -0.006 -3.788 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_2md2 1
. 8 . 1276 . 1 1 1 TRP CH2 C 1.291 0.825 -7.858 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_2md2 1
. 8 . 1277 . 1 1 1 TRP CZ2 C 2.339 0.099 -7.362 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_2md2 1
. 8 . 1278 . 1 1 1 TRP CZ3 C 0.300 1.343 -7.013 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_2md2 1
. 8 . 1279 . 1 1 1 TRP H1 H 1.443 0.039 0.807 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_2md2 1
. 8 . 1280 . 1 1 1 TRP HA H 2.392 -0.819 -1.315 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_2md2 1
. 8 . 1281 . 1 1 1 TRP HB2 H 0.173 -0.362 -2.467 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_2md2 1
. 8 . 1282 . 1 1 1 TRP HB3 H 0.678 1.322 -2.578 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_2md2 1
. 8 . 1283 . 1 1 1 TRP HD1 H 3.453 -1.164 -3.077 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_2md2 1
. 8 . 1284 . 1 1 1 TRP HE1 H 4.098 -1.249 -5.567 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_2md2 1
. 8 . 1285 . 1 1 1 TRP HE3 H -0.428 1.542 -5.013 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_2md2 1
. 8 . 1286 . 1 1 1 TRP HH2 H 1.215 1.012 -8.918 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_2md2 1
. 8 . 1287 . 1 1 1 TRP HZ2 H 3.095 -0.294 -8.027 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_2md2 1
. 8 . 1288 . 1 1 1 TRP HZ3 H -0.511 1.912 -7.444 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_2md2 1
. 8 . 1289 . 1 1 1 TRP N N 1.027 0.111 -0.078 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_2md2 1
. 8 . 1290 . 1 1 1 TRP NE1 N 3.302 -0.789 -5.226 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_2md2 1
. 8 . 1291 . 1 1 1 TRP O O 2.593 2.368 -0.778 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_2md2 1
. 8 . 1292 . 1 1 2 LYS C C 4.818 3.197 -2.239 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2md2 1
. 8 . 1293 . 1 1 2 LYS CA C 5.224 1.915 -1.520 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2md2 1
. 8 . 1294 . 1 1 2 LYS CB C 6.486 1.335 -2.163 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2md2 1
. 8 . 1295 . 1 1 2 LYS CD C 6.597 -0.257 -0.224 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2md2 1
. 8 . 1296 . 1 1 2 LYS CE C 7.511 -1.091 0.662 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2md2 1
. 8 . 1297 . 1 1 2 LYS CG C 7.393 0.614 -1.181 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2md2 1
. 8 . 1298 . 1 1 2 LYS H H 4.334 0.024 -1.863 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2md2 1
. 8 . 1299 . 1 1 2 LYS HA H 5.431 2.145 -0.486 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2md2 1
. 8 . 1300 . 1 1 2 LYS HB2 H 6.194 0.635 -2.933 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2md2 1
. 8 . 1301 . 1 1 2 LYS HB3 H 7.047 2.140 -2.615 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2md2 1
. 8 . 1302 . 1 1 2 LYS HD2 H 5.987 0.376 0.403 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2md2 1
. 8 . 1303 . 1 1 2 LYS HD3 H 5.963 -0.920 -0.796 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2md2 1
. 8 . 1304 . 1 1 2 LYS HE2 H 8.300 -0.458 1.039 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2md2 1
. 8 . 1305 . 1 1 2 LYS HE3 H 6.934 -1.478 1.489 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2md2 1
. 8 . 1306 . 1 1 2 LYS HG2 H 8.081 -0.011 -1.732 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2md2 1
. 8 . 1307 . 1 1 2 LYS HG3 H 7.946 1.347 -0.611 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2md2 1
. 8 . 1308 . 1 1 2 LYS HZ1 H 7.875 -2.166 -1.091 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2md2 1
. 8 . 1309 . 1 1 2 LYS HZ2 H 7.759 -3.131 0.294 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2md2 1
. 8 . 1310 . 1 1 2 LYS HZ3 H 9.152 -2.211 0.018 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2md2 1
. 8 . 1311 . 1 1 2 LYS N N 4.144 0.936 -1.554 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2md2 1
. 8 . 1312 . 1 1 2 LYS NZ N 8.117 -2.230 -0.082 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2md2 1
. 8 . 1313 . 1 1 2 LYS O O 5.028 4.299 -1.730 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2md2 1
. 8 . 1314 . 1 1 3 LEU C C 2.636 4.912 -3.531 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . rr_2md2 1
. 8 . 1315 . 1 1 3 LEU CA C 3.798 4.194 -4.211 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . rr_2md2 1
. 8 . 1316 . 1 1 3 LEU CB C 3.383 3.746 -5.614 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . rr_2md2 1
. 8 . 1317 . 1 1 3 LEU CD1 C 5.757 3.002 -5.924 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . rr_2md2 1
. 8 . 1318 . 1 1 3 LEU CD2 C 4.082 2.620 -7.742 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . rr_2md2 1
. 8 . 1319 . 1 1 3 LEU CG C 4.519 3.549 -6.618 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . rr_2md2 1
. 8 . 1320 . 1 1 3 LEU H H 4.095 2.145 -3.777 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . rr_2md2 1
. 8 . 1321 . 1 1 3 LEU HA H 4.630 4.878 -4.292 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . rr_2md2 1
. 8 . 1322 . 1 1 3 LEU HB2 H 2.859 2.808 -5.520 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . rr_2md2 1
. 8 . 1323 . 1 1 3 LEU HB3 H 2.712 4.493 -6.014 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . rr_2md2 1
. 8 . 1324 . 1 1 3 LEU HD11 H 6.045 3.669 -5.125 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . rr_2md2 1
. 8 . 1325 . 1 1 3 LEU HD12 H 6.564 2.924 -6.637 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . rr_2md2 1
. 8 . 1326 . 1 1 3 LEU HD13 H 5.540 2.025 -5.518 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . rr_2md2 1
. 8 . 1327 . 1 1 3 LEU HD21 H 4.431 1.619 -7.538 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . rr_2md2 1
. 8 . 1328 . 1 1 3 LEU HD22 H 4.501 2.964 -8.676 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . rr_2md2 1
. 8 . 1329 . 1 1 3 LEU HD23 H 3.004 2.620 -7.810 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . rr_2md2 1
. 8 . 1330 . 1 1 3 LEU HG H 4.776 4.504 -7.054 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . rr_2md2 1
. 8 . 1331 . 1 1 3 LEU N N 4.235 3.047 -3.423 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . rr_2md2 1
. 8 . 1332 . 1 1 3 LEU O O 2.336 6.065 -3.843 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . rr_2md2 1
. 8 . 1333 . 1 1 4 LEU C C 1.294 5.289 -0.494 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2md2 1
. 8 . 1334 . 1 1 4 LEU CA C 0.860 4.796 -1.870 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2md2 1
. 8 . 1335 . 1 1 4 LEU CB C -0.257 3.761 -1.725 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2md2 1
. 8 . 1336 . 1 1 4 LEU CD1 C -1.378 4.183 0.477 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2md2 1
. 8 . 1337 . 1 1 4 LEU CD2 C -1.880 5.655 -1.482 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2md2 1
. 8 . 1338 . 1 1 4 LEU CG C -1.533 4.243 -1.035 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2md2 1
. 8 . 1339 . 1 1 4 LEU H H 2.273 3.309 -2.393 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2md2 1
. 8 . 1340 . 1 1 4 LEU HA H 0.490 5.635 -2.440 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2md2 1
. 8 . 1341 . 1 1 4 LEU HB2 H -0.524 3.421 -2.714 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2md2 1
. 8 . 1342 . 1 1 4 LEU HB3 H 0.136 2.930 -1.155 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2md2 1
. 8 . 1343 . 1 1 4 LEU HD11 H -0.370 3.887 0.724 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2md2 1
. 8 . 1344 . 1 1 4 LEU HD12 H -2.074 3.465 0.882 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2md2 1
. 8 . 1345 . 1 1 4 LEU HD13 H -1.580 5.157 0.898 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2md2 1
. 8 . 1346 . 1 1 4 LEU HD21 H -1.493 5.823 -2.476 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2md2 1
. 8 . 1347 . 1 1 4 LEU HD22 H -1.442 6.367 -0.799 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2md2 1
. 8 . 1348 . 1 1 4 LEU HD23 H -2.954 5.777 -1.488 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2md2 1
. 8 . 1349 . 1 1 4 LEU HG H -2.352 3.592 -1.311 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2md2 1
. 8 . 1350 . 1 1 4 LEU N N 1.988 4.224 -2.598 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2md2 1
. 8 . 1351 . 1 1 4 LEU O O 0.649 6.153 0.099 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2md2 1
. 8 . 1352 . 1 1 5 SER C C 4.005 6.173 1.179 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2md2 1
. 8 . 1353 . 1 1 5 SER CA C 2.913 5.117 1.316 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2md2 1
. 8 . 1354 . 1 1 5 SER CB C 3.462 3.891 2.048 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2md2 1
. 8 . 1355 . 1 1 5 SER H H 2.864 4.051 -0.512 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2md2 1
. 8 . 1356 . 1 1 5 SER HA H 2.097 5.532 1.889 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . rr_2md2 1
. 8 . 1357 . 1 1 5 SER HB2 H 4.268 3.462 1.473 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2md2 1
. 8 . 1358 . 1 1 5 SER HB3 H 3.832 4.191 3.018 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2md2 1
. 8 . 1359 . 1 1 5 SER HG H 2.438 2.632 3.145 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . rr_2md2 1
. 8 . 1360 . 1 1 5 SER N N 2.393 4.735 0.008 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2md2 1
. 8 . 1361 . 1 1 5 SER O O 4.299 6.907 2.123 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . rr_2md2 1
. 8 . 1362 . 1 1 5 SER OG O 2.455 2.910 2.226 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . rr_2md2 1
. 8 . 1363 . 1 1 6 LYS C C 5.227 8.619 0.120 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . rr_2md2 1
. 8 . 1364 . 1 1 6 LYS CA C 5.665 7.211 -0.269 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . rr_2md2 1
. 8 . 1365 . 1 1 6 LYS CB C 6.056 7.177 -1.748 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . rr_2md2 1
. 8 . 1366 . 1 1 6 LYS CD C 7.857 5.612 -2.533 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . rr_2md2 1
. 8 . 1367 . 1 1 6 LYS CE C 7.615 5.546 -4.033 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . rr_2md2 1
. 8 . 1368 . 1 1 6 LYS CG C 7.546 6.992 -1.979 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . rr_2md2 1
. 8 . 1369 . 1 1 6 LYS H H 4.327 5.633 -0.719 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . rr_2md2 1
. 8 . 1370 . 1 1 6 LYS HA H 6.521 6.935 0.327 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . rr_2md2 1
. 8 . 1371 . 1 1 6 LYS HB2 H 5.534 6.362 -2.228 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . rr_2md2 1
. 8 . 1372 . 1 1 6 LYS HB3 H 5.754 8.107 -2.209 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . rr_2md2 1
. 8 . 1373 . 1 1 6 LYS HD2 H 8.893 5.380 -2.337 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . rr_2md2 1
. 8 . 1374 . 1 1 6 LYS HD3 H 7.224 4.886 -2.043 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . rr_2md2 1
. 8 . 1375 . 1 1 6 LYS HE2 H 6.565 5.368 -4.208 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . rr_2md2 1
. 8 . 1376 . 1 1 6 LYS HE3 H 7.898 6.491 -4.472 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . rr_2md2 1
. 8 . 1377 . 1 1 6 LYS HG2 H 7.887 7.736 -2.684 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . rr_2md2 1
. 8 . 1378 . 1 1 6 LYS HG3 H 8.065 7.119 -1.040 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . rr_2md2 1
. 8 . 1379 . 1 1 6 LYS HZ1 H 8.118 4.347 -5.668 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . rr_2md2 1
. 8 . 1380 . 1 1 6 LYS HZ2 H 8.244 3.559 -4.176 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . rr_2md2 1
. 8 . 1381 . 1 1 6 LYS HZ3 H 9.419 4.684 -4.641 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . rr_2md2 1
. 8 . 1382 . 1 1 6 LYS N N 4.605 6.245 -0.005 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . rr_2md2 1
. 8 . 1383 . 1 1 6 LYS NZ N 8.404 4.458 -4.675 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . rr_2md2 1
. 8 . 1384 . 1 1 6 LYS O O 6.057 9.479 0.411 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . rr_2md2 1
. 8 . 1385 . 1 1 7 ALA C C 3.727 10.521 1.916 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . rr_2md2 1
. 8 . 1386 . 1 1 7 ALA CA C 3.369 10.149 0.481 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . rr_2md2 1
. 8 . 1387 . 1 1 7 ALA CB C 1.860 10.157 0.292 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . rr_2md2 1
. 8 . 1388 . 1 1 7 ALA H H 3.305 8.120 -0.118 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . rr_2md2 1
. 8 . 1389 . 1 1 7 ALA HA H 3.794 10.884 -0.188 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . rr_2md2 1
. 8 . 1390 . 1 1 7 ALA HB1 H 1.602 10.820 -0.521 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . rr_2md2 1
. 8 . 1391 . 1 1 7 ALA HB2 H 1.521 9.157 0.063 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . rr_2md2 1
. 8 . 1392 . 1 1 7 ALA HB3 H 1.385 10.499 1.200 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . rr_2md2 1
. 8 . 1393 . 1 1 7 ALA N N 3.917 8.847 0.124 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . rr_2md2 1
. 8 . 1394 . 1 1 7 ALA O O 3.810 11.700 2.258 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . rr_2md2 1
. 8 . 1395 . 1 1 8 GLN C C 5.738 9.351 4.415 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2md2 1
. 8 . 1396 . 1 1 8 GLN CA C 4.284 9.729 4.148 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2md2 1
. 8 . 1397 . 1 1 8 GLN CB C 3.359 8.921 5.060 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2md2 1
. 8 . 1398 . 1 1 8 GLN CD C 2.499 6.556 4.831 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2md2 1
. 8 . 1399 . 1 1 8 GLN CG C 3.698 7.440 5.113 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2md2 1
. 8 . 1400 . 1 1 8 GLN H H 3.856 8.590 2.417 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2md2 1
. 8 . 1401 . 1 1 8 GLN HA H 4.155 10.780 4.359 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2md2 1
. 8 . 1402 . 1 1 8 GLN HB2 H 3.422 9.319 6.061 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2md2 1
. 8 . 1403 . 1 1 8 GLN HB3 H 2.344 9.023 4.704 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2md2 1
. 8 . 1404 . 1 1 8 GLN HE21 H 3.044 5.313 6.284 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2md2 1
. 8 . 1405 . 1 1 8 GLN HE22 H 1.602 4.887 5.433 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2md2 1
. 8 . 1406 . 1 1 8 GLN HG2 H 4.460 7.232 4.376 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2md2 1
. 8 . 1407 . 1 1 8 GLN HG3 H 4.077 7.206 6.096 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2md2 1
. 8 . 1408 . 1 1 8 GLN N N 3.937 9.507 2.750 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2md2 1
. 8 . 1409 . 1 1 8 GLN NE2 N 2.369 5.476 5.592 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2md2 1
. 8 . 1410 . 1 1 8 GLN O O 6.242 9.532 5.523 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2md2 1
. 8 . 1411 . 1 1 8 GLN OE1 O 1.699 6.841 3.940 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2md2 1
. 8 . 1412 . 1 1 9 GLU C C 8.717 9.393 2.784 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . rr_2md2 1
. 8 . 1413 . 1 1 9 GLU CA C 7.799 8.419 3.518 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . rr_2md2 1
. 8 . 1414 . 1 1 9 GLU CB C 7.995 7.005 2.968 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . rr_2md2 1
. 8 . 1415 . 1 1 9 GLU CD C 10.206 5.797 3.141 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . rr_2md2 1
. 8 . 1416 . 1 1 9 GLU CG C 8.898 6.137 3.827 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . rr_2md2 1
. 8 . 1417 . 1 1 9 GLU H H 5.947 8.705 2.534 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . rr_2md2 1
. 8 . 1418 . 1 1 9 GLU HA H 8.053 8.425 4.567 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . rr_2md2 1
. 8 . 1419 . 1 1 9 GLU HB2 H 7.030 6.524 2.894 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . rr_2md2 1
. 8 . 1420 . 1 1 9 GLU HB3 H 8.429 7.073 1.981 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . rr_2md2 1
. 8 . 1421 . 1 1 9 GLU HG2 H 9.116 6.664 4.744 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . rr_2md2 1
. 8 . 1422 . 1 1 9 GLU HG3 H 8.380 5.217 4.057 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . rr_2md2 1
. 8 . 1423 . 1 1 9 GLU N N 6.404 8.824 3.392 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . rr_2md2 1
. 8 . 1424 . 1 1 9 GLU O O 9.808 9.027 2.347 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . rr_2md2 1
. 8 . 1425 . 1 1 9 GLU OE1 O 10.177 5.041 2.148 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . rr_2md2 1
. 8 . 1426 . 1 1 9 GLU OE2 O 11.260 6.289 3.597 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . rr_2md2 1
. 8 . 1427 . 1 1 10 LYS C C 10.373 11.900 2.684 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2md2 1
. 8 . 1428 . 1 1 10 LYS CA C 9.044 11.665 1.973 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2md2 1
. 8 . 1429 . 1 1 10 LYS CB C 8.252 12.972 1.906 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2md2 1
. 8 . 1430 . 1 1 10 LYS CD C 6.059 13.997 1.235 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2md2 1
. 8 . 1431 . 1 1 10 LYS CE C 5.193 14.308 0.023 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2md2 1
. 8 . 1432 . 1 1 10 LYS CG C 7.098 12.935 0.919 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2md2 1
. 8 . 1433 . 1 1 10 LYS H H 7.388 10.868 3.022 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2md2 1
. 8 . 1434 . 1 1 10 LYS HA H 9.242 11.322 0.969 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2md2 1
. 8 . 1435 . 1 1 10 LYS HB2 H 7.852 13.188 2.887 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2md2 1
. 8 . 1436 . 1 1 10 LYS HB3 H 8.920 13.770 1.616 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2md2 1
. 8 . 1437 . 1 1 10 LYS HD2 H 5.425 13.642 2.034 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2md2 1
. 8 . 1438 . 1 1 10 LYS HD3 H 6.563 14.900 1.548 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2md2 1
. 8 . 1439 . 1 1 10 LYS HE2 H 5.624 15.145 -0.505 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2md2 1
. 8 . 1440 . 1 1 10 LYS HE3 H 5.179 13.443 -0.623 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2md2 1
. 8 . 1441 . 1 1 10 LYS HG2 H 7.482 13.107 -0.076 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2md2 1
. 8 . 1442 . 1 1 10 LYS HG3 H 6.630 11.961 0.963 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2md2 1
. 8 . 1443 . 1 1 10 LYS HZ1 H 3.141 14.394 -0.355 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2md2 1
. 8 . 1444 . 1 1 10 LYS HZ2 H 3.716 15.667 0.601 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_2md2 1
. 8 . 1445 . 1 1 10 LYS HZ3 H 3.527 14.125 1.270 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2md2 1
. 8 . 1446 . 1 1 10 LYS N N 8.266 10.636 2.653 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2md2 1
. 8 . 1447 . 1 1 10 LYS NZ N 3.796 14.647 0.412 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2md2 1
. 8 . 1448 . 1 1 10 LYS O O 11.091 12.853 2.379 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2md2 1
. 9 . 1449 . 1 1 1 TRP C C 3.596 1.285 -1.045 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_2md2 1
. 9 . 1450 . 1 1 1 TRP CA C 2.830 -0.033 -1.089 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_2md2 1
. 9 . 1451 . 1 1 1 TRP CB C 1.963 -0.091 -2.348 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_2md2 1
. 9 . 1452 . 1 1 1 TRP CD1 C 4.039 -0.726 -3.710 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_2md2 1
. 9 . 1453 . 1 1 1 TRP CD2 C 2.317 0.004 -4.942 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_2md2 1
. 9 . 1454 . 1 1 1 TRP CE2 C 3.386 -0.308 -5.805 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_2md2 1
. 9 . 1455 . 1 1 1 TRP CE3 C 1.125 0.482 -5.493 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_2md2 1
. 9 . 1456 . 1 1 1 TRP CG C 2.756 -0.270 -3.607 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_2md2 1
. 9 . 1457 . 1 1 1 TRP CH2 C 2.118 0.312 -7.698 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_2md2 1
. 9 . 1458 . 1 1 1 TRP CZ2 C 3.297 -0.157 -7.186 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_2md2 1
. 9 . 1459 . 1 1 1 TRP CZ3 C 1.038 0.632 -6.864 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_2md2 1
. 9 . 1460 . 1 1 1 TRP H1 H 2.425 -0.145 0.986 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_2md2 1
. 9 . 1461 . 1 1 1 TRP HA H 3.539 -0.847 -1.113 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_2md2 1
. 9 . 1462 . 1 1 1 TRP HB2 H 1.276 -0.920 -2.266 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_2md2 1
. 9 . 1463 . 1 1 1 TRP HB3 H 1.404 0.829 -2.433 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_2md2 1
. 9 . 1464 . 1 1 1 TRP HD1 H 4.650 -1.017 -2.870 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_2md2 1
. 9 . 1465 . 1 1 1 TRP HE1 H 5.301 -1.040 -5.360 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_2md2 1
. 9 . 1466 . 1 1 1 TRP HE3 H 0.282 0.733 -4.867 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_2md2 1
. 9 . 1467 . 1 1 1 TRP HH2 H 2.005 0.445 -8.763 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_2md2 1
. 9 . 1468 . 1 1 1 TRP HZ2 H 4.120 -0.399 -7.842 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_2md2 1
. 9 . 1469 . 1 1 1 TRP HZ3 H 0.124 1.000 -7.308 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_2md2 1
. 9 . 1470 . 1 1 1 TRP N N 2.004 -0.195 0.102 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_2md2 1
. 9 . 1471 . 1 1 1 TRP NE1 N 4.425 -0.750 -5.029 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_2md2 1
. 9 . 1472 . 1 1 1 TRP O O 3.047 2.322 -0.673 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_2md2 1
. 9 . 1473 . 1 1 2 LYS C C 5.037 3.567 -2.193 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2md2 1
. 9 . 1474 . 1 1 2 LYS CA C 5.710 2.428 -1.433 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2md2 1
. 9 . 1475 . 1 1 2 LYS CB C 7.069 2.114 -2.062 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2md2 1
. 9 . 1476 . 1 1 2 LYS CD C 7.590 0.853 0.048 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2md2 1
. 9 . 1477 . 1 1 2 LYS CE C 8.410 -0.271 0.664 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2md2 1
. 9 . 1478 . 1 1 2 LYS CG C 7.749 0.894 -1.463 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2md2 1
. 9 . 1479 . 1 1 2 LYS H H 5.250 0.381 -1.713 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2md2 1
. 9 . 1480 . 1 1 2 LYS HA H 5.859 2.734 -0.408 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2md2 1
. 9 . 1481 . 1 1 2 LYS HB2 H 6.932 1.941 -3.119 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2md2 1
. 9 . 1482 . 1 1 2 LYS HB3 H 7.721 2.965 -1.926 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2md2 1
. 9 . 1483 . 1 1 2 LYS HD2 H 7.921 1.793 0.462 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2md2 1
. 9 . 1484 . 1 1 2 LYS HD3 H 6.547 0.699 0.287 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2md2 1
. 9 . 1485 . 1 1 2 LYS HE2 H 7.793 -0.801 1.373 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2md2 1
. 9 . 1486 . 1 1 2 LYS HE3 H 8.717 -0.946 -0.121 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2md2 1
. 9 . 1487 . 1 1 2 LYS HG2 H 7.307 0.004 -1.885 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2md2 1
. 9 . 1488 . 1 1 2 LYS HG3 H 8.802 0.925 -1.705 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2md2 1
. 9 . 1489 . 1 1 2 LYS HZ1 H 10.478 -0.054 0.857 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2md2 1
. 9 . 1490 . 1 1 2 LYS HZ2 H 9.656 -0.126 2.334 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2md2 1
. 9 . 1491 . 1 1 2 LYS HZ3 H 9.596 1.283 1.400 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2md2 1
. 9 . 1492 . 1 1 2 LYS N N 4.868 1.238 -1.427 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2md2 1
. 9 . 1493 . 1 1 2 LYS NZ N 9.620 0.244 1.362 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2md2 1
. 9 . 1494 . 1 1 2 LYS O O 5.064 4.719 -1.758 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2md2 1
. 9 . 1495 . 1 1 3 LEU C C 2.447 4.675 -3.498 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . rr_2md2 1
. 9 . 1496 . 1 1 3 LEU CA C 3.753 4.232 -4.151 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . rr_2md2 1
. 9 . 1497 . 1 1 3 LEU CB C 3.473 3.668 -5.545 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . rr_2md2 1
. 9 . 1498 . 1 1 3 LEU CD1 C 5.958 3.471 -5.815 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . rr_2md2 1
. 9 . 1499 . 1 1 3 LEU CD2 C 4.438 2.690 -7.642 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . rr_2md2 1
. 9 . 1500 . 1 1 3 LEU CG C 4.639 3.713 -6.533 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . rr_2md2 1
. 9 . 1501 . 1 1 3 LEU H H 4.447 2.303 -3.625 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . rr_2md2 1
. 9 . 1502 . 1 1 3 LEU HA H 4.404 5.089 -4.242 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . rr_2md2 1
. 9 . 1503 . 1 1 3 LEU HB2 H 3.177 2.636 -5.430 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . rr_2md2 1
. 9 . 1504 . 1 1 3 LEU HB3 H 2.655 4.230 -5.971 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . rr_2md2 1
. 9 . 1505 . 1 1 3 LEU HD11 H 5.960 2.478 -5.392 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . rr_2md2 1
. 9 . 1506 . 1 1 3 LEU HD12 H 6.076 4.199 -5.026 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . rr_2md2 1
. 9 . 1507 . 1 1 3 LEU HD13 H 6.773 3.566 -6.518 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . rr_2md2 1
. 9 . 1508 . 1 1 3 LEU HD21 H 4.992 1.793 -7.408 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . rr_2md2 1
. 9 . 1509 . 1 1 3 LEU HD22 H 4.793 3.099 -8.577 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . rr_2md2 1
. 9 . 1510 . 1 1 3 LEU HD23 H 3.387 2.454 -7.728 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . rr_2md2 1
. 9 . 1511 . 1 1 3 LEU HG H 4.681 4.694 -6.986 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . rr_2md2 1
. 9 . 1512 . 1 1 3 LEU N N 4.434 3.237 -3.330 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . rr_2md2 1
. 9 . 1513 . 1 1 3 LEU O O 1.872 5.699 -3.868 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . rr_2md2 1
. 9 . 1514 . 1 1 4 LEU C C 1.042 4.827 -0.453 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2md2 1
. 9 . 1515 . 1 1 4 LEU CA C 0.748 4.211 -1.817 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2md2 1
. 9 . 1516 . 1 1 4 LEU CB C -0.099 2.949 -1.648 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2md2 1
. 9 . 1517 . 1 1 4 LEU CD1 C -1.295 3.152 0.546 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2md2 1
. 9 . 1518 . 1 1 4 LEU CD2 C -2.120 4.418 -1.447 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2md2 1
. 9 . 1519 . 1 1 4 LEU CG C -1.455 3.136 -0.967 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2md2 1
. 9 . 1520 . 1 1 4 LEU H H 2.488 3.095 -2.274 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2md2 1
. 9 . 1521 . 1 1 4 LEU HA H 0.199 4.926 -2.412 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2md2 1
. 9 . 1522 . 1 1 4 LEU HB2 H -0.276 2.535 -2.629 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2md2 1
. 9 . 1523 . 1 1 4 LEU HB3 H 0.473 2.244 -1.061 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2md2 1
. 9 . 1524 . 1 1 4 LEU HD11 H -0.246 3.099 0.797 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2md2 1
. 9 . 1525 . 1 1 4 LEU HD12 H -1.810 2.303 0.970 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2md2 1
. 9 . 1526 . 1 1 4 LEU HD13 H -1.716 4.064 0.943 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2md2 1
. 9 . 1527 . 1 1 4 LEU HD21 H -1.871 5.226 -0.776 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2md2 1
. 9 . 1528 . 1 1 4 LEU HD22 H -3.191 4.282 -1.466 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2md2 1
. 9 . 1529 . 1 1 4 LEU HD23 H -1.770 4.654 -2.442 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2md2 1
. 9 . 1530 . 1 1 4 LEU HG H -2.098 2.307 -1.225 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2md2 1
. 9 . 1531 . 1 1 4 LEU N N 1.986 3.898 -2.524 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2md2 1
. 9 . 1532 . 1 1 4 LEU O O 0.207 5.532 0.113 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2md2 1
. 9 . 1533 . 1 1 5 SER C C 3.532 6.310 1.202 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2md2 1
. 9 . 1534 . 1 1 5 SER CA C 2.638 5.085 1.366 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2md2 1
. 9 . 1535 . 1 1 5 SER CB C 3.370 4.009 2.172 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2md2 1
. 9 . 1536 . 1 1 5 SER H H 2.857 3.989 -0.432 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2md2 1
. 9 . 1537 . 1 1 5 SER HA H 1.744 5.374 1.899 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . rr_2md2 1
. 9 . 1538 . 1 1 5 SER HB2 H 4.174 3.603 1.577 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2md2 1
. 9 . 1539 . 1 1 5 SER HB3 H 3.774 4.450 3.071 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2md2 1
. 9 . 1540 . 1 1 5 SER HG H 2.925 2.384 3.171 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . rr_2md2 1
. 9 . 1541 . 1 1 5 SER N N 2.235 4.558 0.068 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2md2 1
. 9 . 1542 . 1 1 5 SER O O 3.680 7.113 2.123 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . rr_2md2 1
. 9 . 1543 . 1 1 5 SER OG O 2.493 2.956 2.532 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . rr_2md2 1
. 9 . 1544 . 1 1 6 LYS C C 4.298 8.897 0.000 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . rr_2md2 1
. 9 . 1545 . 1 1 6 LYS CA C 5.006 7.573 -0.267 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . rr_2md2 1
. 9 . 1546 . 1 1 6 LYS CB C 5.477 7.519 -1.722 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . rr_2md2 1
. 9 . 1547 . 1 1 6 LYS CD C 4.895 9.557 -3.070 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . rr_2md2 1
. 9 . 1548 . 1 1 6 LYS CE C 4.568 10.928 -2.498 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . rr_2md2 1
. 9 . 1549 . 1 1 6 LYS CG C 5.967 8.855 -2.253 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . rr_2md2 1
. 9 . 1550 . 1 1 6 LYS H H 3.969 5.772 -0.673 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . rr_2md2 1
. 9 . 1551 . 1 1 6 LYS HA H 5.864 7.499 0.383 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . rr_2md2 1
. 9 . 1552 . 1 1 6 LYS HB2 H 6.285 6.806 -1.800 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . rr_2md2 1
. 9 . 1553 . 1 1 6 LYS HB3 H 4.656 7.188 -2.342 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . rr_2md2 1
. 9 . 1554 . 1 1 6 LYS HD2 H 5.248 9.677 -4.083 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . rr_2md2 1
. 9 . 1555 . 1 1 6 LYS HD3 H 3.999 8.952 -3.068 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . rr_2md2 1
. 9 . 1556 . 1 1 6 LYS HE2 H 3.526 10.947 -2.217 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . rr_2md2 1
. 9 . 1557 . 1 1 6 LYS HE3 H 5.180 11.094 -1.624 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . rr_2md2 1
. 9 . 1558 . 1 1 6 LYS HG2 H 6.240 9.485 -1.420 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . rr_2md2 1
. 9 . 1559 . 1 1 6 LYS HG3 H 6.832 8.688 -2.879 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . rr_2md2 1
. 9 . 1560 . 1 1 6 LYS HZ1 H 5.513 11.698 -4.195 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . rr_2md2 1
. 9 . 1561 . 1 1 6 LYS HZ2 H 5.202 12.854 -2.999 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . rr_2md2 1
. 9 . 1562 . 1 1 6 LYS HZ3 H 3.940 12.276 -3.965 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . rr_2md2 1
. 9 . 1563 . 1 1 6 LYS N N 4.127 6.446 0.021 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . rr_2md2 1
. 9 . 1564 . 1 1 6 LYS NZ N 4.823 12.015 -3.483 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . rr_2md2 1
. 9 . 1565 . 1 1 6 LYS O O 4.939 9.905 0.296 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . rr_2md2 1
. 9 . 1566 . 1 1 7 ALA C C 2.271 10.531 1.584 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . rr_2md2 1
. 9 . 1567 . 1 1 7 ALA CA C 2.179 10.087 0.128 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . rr_2md2 1
. 9 . 1568 . 1 1 7 ALA CB C 0.729 9.844 -0.262 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . rr_2md2 1
. 9 . 1569 . 1 1 7 ALA H H 2.520 8.053 -0.345 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . rr_2md2 1
. 9 . 1570 . 1 1 7 ALA HA H 2.569 10.873 -0.502 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . rr_2md2 1
. 9 . 1571 . 1 1 7 ALA HB1 H 0.133 10.699 0.022 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . rr_2md2 1
. 9 . 1572 . 1 1 7 ALA HB2 H 0.663 9.697 -1.330 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . rr_2md2 1
. 9 . 1573 . 1 1 7 ALA HB3 H 0.362 8.965 0.246 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . rr_2md2 1
. 9 . 1574 . 1 1 7 ALA N N 2.973 8.887 -0.106 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . rr_2md2 1
. 9 . 1575 . 1 1 7 ALA O O 1.984 11.682 1.910 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . rr_2md2 1
. 9 . 1576 . 1 1 8 GLN C C 4.228 9.679 4.354 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2md2 1
. 9 . 1577 . 1 1 8 GLN CA C 2.798 9.907 3.876 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2md2 1
. 9 . 1578 . 1 1 8 GLN CB C 1.832 9.041 4.688 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2md2 1
. 9 . 1579 . 1 1 8 GLN CD C -0.277 10.176 3.886 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2md2 1
. 9 . 1580 . 1 1 8 GLN CG C 0.473 8.867 4.032 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2md2 1
. 9 . 1581 . 1 1 8 GLN H H 2.885 8.709 2.133 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2md2 1
. 9 . 1582 . 1 1 8 GLN HA H 2.544 10.946 4.022 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2md2 1
. 9 . 1583 . 1 1 8 GLN HB2 H 2.271 8.064 4.824 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2md2 1
. 9 . 1584 . 1 1 8 GLN HB3 H 1.685 9.498 5.656 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2md2 1
. 9 . 1585 . 1 1 8 GLN HE21 H -0.389 10.360 5.862 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2md2 1
. 9 . 1586 . 1 1 8 GLN HE22 H -1.116 11.633 4.947 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2md2 1
. 9 . 1587 . 1 1 8 GLN HG2 H 0.613 8.439 3.050 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2md2 1
. 9 . 1588 . 1 1 8 GLN HG3 H -0.120 8.194 4.634 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2md2 1
. 9 . 1589 . 1 1 8 GLN N N 2.671 9.609 2.455 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2md2 1
. 9 . 1590 . 1 1 8 GLN NE2 N -0.631 10.785 5.012 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2md2 1
. 9 . 1591 . 1 1 8 GLN O O 4.569 9.996 5.494 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2md2 1
. 9 . 1592 . 1 1 8 GLN OE1 O -0.537 10.636 2.773 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2md2 1
. 9 . 1593 . 1 1 9 GLU C C 7.387 9.790 3.045 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . rr_2md2 1
. 9 . 1594 . 1 1 9 GLU CA C 6.453 8.858 3.810 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . rr_2md2 1
. 9 . 1595 . 1 1 9 GLU CB C 6.802 7.401 3.499 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . rr_2md2 1
. 9 . 1596 . 1 1 9 GLU CD C 8.770 6.933 5.012 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . rr_2md2 1
. 9 . 1597 . 1 1 9 GLU CG C 7.317 6.628 4.701 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . rr_2md2 1
. 9 . 1598 . 1 1 9 GLU H H 4.729 8.898 2.583 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . rr_2md2 1
. 9 . 1599 . 1 1 9 GLU HA H 6.580 9.030 4.868 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . rr_2md2 1
. 9 . 1600 . 1 1 9 GLU HB2 H 5.918 6.903 3.128 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . rr_2md2 1
. 9 . 1601 . 1 1 9 GLU HB3 H 7.563 7.382 2.732 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . rr_2md2 1
. 9 . 1602 . 1 1 9 GLU HG2 H 6.720 6.886 5.562 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . rr_2md2 1
. 9 . 1603 . 1 1 9 GLU HG3 H 7.222 5.571 4.502 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . rr_2md2 1
. 9 . 1604 . 1 1 9 GLU N N 5.060 9.128 3.476 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . rr_2md2 1
. 9 . 1605 . 1 1 9 GLU O O 8.099 10.600 3.639 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . rr_2md2 1
. 9 . 1606 . 1 1 9 GLU OE1 O 9.369 7.760 4.293 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . rr_2md2 1
. 9 . 1607 . 1 1 9 GLU OE2 O 9.308 6.344 5.972 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . rr_2md2 1
. 9 . 1608 . 1 1 10 LYS C C 7.421 11.644 0.258 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2md2 1
. 9 . 1609 . 1 1 10 LYS CA C 8.224 10.502 0.872 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2md2 1
. 9 . 1610 . 1 1 10 LYS CB C 8.859 9.657 -0.235 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2md2 1
. 9 . 1611 . 1 1 10 LYS CD C 10.211 7.541 -0.181 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2md2 1
. 9 . 1612 . 1 1 10 LYS CE C 11.058 6.755 0.808 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2md2 1
. 9 . 1613 . 1 1 10 LYS CG C 10.177 9.020 0.167 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2md2 1
. 9 . 1614 . 1 1 10 LYS H H 6.790 9.007 1.305 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2md2 1
. 9 . 1615 . 1 1 10 LYS HA H 9.006 10.919 1.489 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2md2 1
. 9 . 1616 . 1 1 10 LYS HB2 H 8.171 8.871 -0.510 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2md2 1
. 9 . 1617 . 1 1 10 LYS HB3 H 9.035 10.287 -1.095 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2md2 1
. 9 . 1618 . 1 1 10 LYS HD2 H 9.203 7.153 -0.162 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2md2 1
. 9 . 1619 . 1 1 10 LYS HD3 H 10.626 7.422 -1.171 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2md2 1
. 9 . 1620 . 1 1 10 LYS HE2 H 10.822 7.087 1.808 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2md2 1
. 9 . 1621 . 1 1 10 LYS HE3 H 10.819 5.706 0.712 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2md2 1
. 9 . 1622 . 1 1 10 LYS HG2 H 10.982 9.519 -0.353 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2md2 1
. 9 . 1623 . 1 1 10 LYS HG3 H 10.311 9.132 1.234 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2md2 1
. 9 . 1624 . 1 1 10 LYS HZ1 H 12.970 6.027 0.389 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2md2 1
. 9 . 1625 . 1 1 10 LYS HZ2 H 12.960 7.388 1.393 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_2md2 1
. 9 . 1626 . 1 1 10 LYS HZ3 H 12.661 7.557 -0.263 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2md2 1
. 9 . 1627 . 1 1 10 LYS N N 7.379 9.671 1.722 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2md2 1
. 9 . 1628 . 1 1 10 LYS NZ N 12.514 6.945 0.565 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2md2 1
. 9 . 1629 . 1 1 10 LYS O O 7.980 12.670 -0.131 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2md2 1
. 10 . 1630 . 1 1 1 TRP C C 3.247 1.448 -1.043 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . rr_2md2 1
. 10 . 1631 . 1 1 1 TRP CA C 2.473 0.140 -1.171 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . rr_2md2 1
. 10 . 1632 . 1 1 1 TRP CB C 1.644 0.148 -2.457 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . rr_2md2 1
. 10 . 1633 . 1 1 1 TRP CD1 C 3.748 -0.490 -3.773 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . rr_2md2 1
. 10 . 1634 . 1 1 1 TRP CD2 C 2.074 0.295 -5.037 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . rr_2md2 1
. 10 . 1635 . 1 1 1 TRP CE2 C 3.162 -0.016 -5.876 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . rr_2md2 1
. 10 . 1636 . 1 1 1 TRP CE3 C 0.905 0.803 -5.611 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . rr_2md2 1
. 10 . 1637 . 1 1 1 TRP CG C 2.469 -0.016 -3.697 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . rr_2md2 1
. 10 . 1638 . 1 1 1 TRP CH2 C 1.959 0.667 -7.790 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . rr_2md2 1
. 10 . 1639 . 1 1 1 TRP CZ2 C 3.115 0.167 -7.255 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . rr_2md2 1
. 10 . 1640 . 1 1 1 TRP CZ3 C 0.860 0.985 -6.980 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . rr_2md2 1
. 10 . 1641 . 1 1 1 TRP H1 H 2.004 -0.066 0.883 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . rr_2md2 1
. 10 . 1642 . 1 1 1 TRP HA H 3.176 -0.678 -1.212 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . rr_2md2 1
. 10 . 1643 . 1 1 1 TRP HB2 H 0.930 -0.662 -2.422 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . rr_2md2 1
. 10 . 1644 . 1 1 1 TRP HB3 H 1.115 1.087 -2.530 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . rr_2md2 1
. 10 . 1645 . 1 1 1 TRP HD1 H 4.330 -0.810 -2.923 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . rr_2md2 1
. 10 . 1646 . 1 1 1 TRP HE1 H 5.052 -0.788 -5.393 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . rr_2md2 1
. 10 . 1647 . 1 1 1 TRP HE3 H 0.048 1.055 -5.004 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . rr_2md2 1
. 10 . 1648 . 1 1 1 TRP HH2 H 1.879 0.825 -8.854 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . rr_2md2 1
. 10 . 1649 . 1 1 1 TRP HZ2 H 3.953 -0.074 -7.893 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . rr_2md2 1
. 10 . 1650 . 1 1 1 TRP HZ3 H -0.034 1.378 -7.441 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . rr_2md2 1
. 10 . 1651 . 1 1 1 TRP N N 1.610 -0.069 -0.014 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . rr_2md2 1
. 10 . 1652 . 1 1 1 TRP NE1 N 4.171 -0.492 -5.081 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . rr_2md2 1
. 10 . 1653 . 1 1 1 TRP O O 2.690 2.475 -0.655 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . rr_2md2 1
. 10 . 1654 . 1 1 2 LYS C C 4.759 3.755 -2.049 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2md2 1
. 10 . 1655 . 1 1 2 LYS CA C 5.384 2.585 -1.297 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2md2 1
. 10 . 1656 . 1 1 2 LYS CB C 6.770 2.278 -1.869 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2md2 1
. 10 . 1657 . 1 1 2 LYS CD C 7.111 0.657 0.019 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2md2 1
. 10 . 1658 . 1 1 2 LYS CE C 8.121 0.033 0.969 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2md2 1
. 10 . 1659 . 1 1 2 LYS CG C 7.747 1.737 -0.840 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2md2 1
. 10 . 1660 . 1 1 2 LYS H H 4.920 0.555 -1.676 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2md2 1
. 10 . 1661 . 1 1 2 LYS HA H 5.485 2.854 -0.256 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2md2 1
. 10 . 1662 . 1 1 2 LYS HB2 H 6.667 1.547 -2.657 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2md2 1
. 10 . 1663 . 1 1 2 LYS HB3 H 7.183 3.186 -2.284 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2md2 1
. 10 . 1664 . 1 1 2 LYS HD2 H 6.311 1.094 0.598 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2md2 1
. 10 . 1665 . 1 1 2 LYS HD3 H 6.711 -0.114 -0.625 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2md2 1
. 10 . 1666 . 1 1 2 LYS HE2 H 8.240 -1.009 0.714 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2md2 1
. 10 . 1667 . 1 1 2 LYS HE3 H 9.067 0.542 0.852 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2md2 1
. 10 . 1668 . 1 1 2 LYS HG2 H 8.600 1.318 -1.353 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2md2 1
. 10 . 1669 . 1 1 2 LYS HG3 H 8.070 2.548 -0.202 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2md2 1
. 10 . 1670 . 1 1 2 LYS HZ1 H 7.206 1.046 2.549 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2md2 1
. 10 . 1671 . 1 1 2 LYS HZ2 H 8.510 0.077 3.020 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2md2 1
. 10 . 1672 . 1 1 2 LYS HZ3 H 7.029 -0.635 2.619 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2md2 1
. 10 . 1673 . 1 1 2 LYS N N 4.533 1.403 -1.373 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2md2 1
. 10 . 1674 . 1 1 2 LYS NZ N 7.686 0.138 2.389 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2md2 1
. 10 . 1675 . 1 1 2 LYS O O 4.711 4.877 -1.543 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2md2 1
. 10 . 1676 . 1 1 3 LEU C C 2.359 5.009 -3.446 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . rr_2md2 1
. 10 . 1677 . 1 1 3 LEU CA C 3.656 4.518 -4.081 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . rr_2md2 1
. 10 . 1678 . 1 1 3 LEU CB C 3.377 3.979 -5.485 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . rr_2md2 1
. 10 . 1679 . 1 1 3 LEU CD1 C 5.867 3.799 -5.716 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . rr_2md2 1
. 10 . 1680 . 1 1 3 LEU CD2 C 4.380 2.942 -7.535 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . rr_2md2 1
. 10 . 1681 . 1 1 3 LEU CG C 4.556 4.003 -6.459 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . rr_2md2 1
. 10 . 1682 . 1 1 3 LEU H H 4.347 2.574 -3.608 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . rr_2md2 1
. 10 . 1683 . 1 1 3 LEU HA H 4.345 5.347 -4.152 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . rr_2md2 1
. 10 . 1684 . 1 1 3 LEU HB2 H 3.050 2.956 -5.387 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . rr_2md2 1
. 10 . 1685 . 1 1 3 LEU HB3 H 2.581 4.571 -5.913 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . rr_2md2 1
. 10 . 1686 . 1 1 3 LEU HD11 H 5.858 2.835 -5.229 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . rr_2md2 1
. 10 . 1687 . 1 1 3 LEU HD12 H 5.986 4.575 -4.975 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . rr_2md2 1
. 10 . 1688 . 1 1 3 LEU HD13 H 6.688 3.841 -6.416 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . rr_2md2 1
. 10 . 1689 . 1 1 3 LEU HD21 H 3.329 2.724 -7.658 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . rr_2md2 1
. 10 . 1690 . 1 1 3 LEU HD22 H 4.902 2.043 -7.243 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . rr_2md2 1
. 10 . 1691 . 1 1 3 LEU HD23 H 4.784 3.305 -8.469 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . rr_2md2 1
. 10 . 1692 . 1 1 3 LEU HG H 4.595 4.969 -6.944 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . rr_2md2 1
. 10 . 1693 . 1 1 3 LEU N N 4.280 3.487 -3.259 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . rr_2md2 1
. 10 . 1694 . 1 1 3 LEU O O 1.848 6.074 -3.797 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . rr_2md2 1
. 10 . 1695 . 1 1 4 LEU C C 0.885 5.123 -0.423 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2md2 1
. 10 . 1696 . 1 1 4 LEU CA C 0.596 4.586 -1.821 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2md2 1
. 10 . 1697 . 1 1 4 LEU CB C -0.329 3.371 -1.732 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2md2 1
. 10 . 1698 . 1 1 4 LEU CD1 C -2.639 2.486 -1.325 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2md2 1
. 10 . 1699 . 1 1 4 LEU CD2 C -2.187 4.937 -1.112 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2md2 1
. 10 . 1700 . 1 1 4 LEU CG C -1.827 3.658 -1.854 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2md2 1
. 10 . 1701 . 1 1 4 LEU H H 2.286 3.393 -2.271 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2md2 1
. 10 . 1702 . 1 1 4 LEU HA H 0.108 5.358 -2.397 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2md2 1
. 10 . 1703 . 1 1 4 LEU HB2 H -0.058 2.690 -2.524 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2md2 1
. 10 . 1704 . 1 1 4 LEU HB3 H -0.159 2.896 -0.777 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2md2 1
. 10 . 1705 . 1 1 4 LEU HD11 H -2.899 1.830 -2.141 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2md2 1
. 10 . 1706 . 1 1 4 LEU HD12 H -3.541 2.855 -0.858 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2md2 1
. 10 . 1707 . 1 1 4 LEU HD13 H -2.054 1.942 -0.597 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2md2 1
. 10 . 1708 . 1 1 4 LEU HD21 H -1.940 4.829 -0.067 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2md2 1
. 10 . 1709 . 1 1 4 LEU HD22 H -3.245 5.126 -1.215 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2md2 1
. 10 . 1710 . 1 1 4 LEU HD23 H -1.631 5.764 -1.531 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2md2 1
. 10 . 1711 . 1 1 4 LEU HG H -2.077 3.793 -2.897 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2md2 1
. 10 . 1712 . 1 1 4 LEU N N 1.833 4.229 -2.508 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2md2 1
. 10 . 1713 . 1 1 4 LEU O O 0.086 5.869 0.143 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2md2 1
. 10 . 1714 . 1 1 5 SER C C 3.330 6.409 1.380 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2md2 1
. 10 . 1715 . 1 1 5 SER CA C 2.427 5.182 1.459 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2md2 1
. 10 . 1716 . 1 1 5 SER CB C 3.144 4.054 2.203 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2md2 1
. 10 . 1717 . 1 1 5 SER H H 2.628 4.144 -0.375 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2md2 1
. 10 . 1718 . 1 1 5 SER HA H 1.530 5.445 2.000 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . rr_2md2 1
. 10 . 1719 . 1 1 5 SER HB2 H 4.065 3.819 1.692 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2md2 1
. 10 . 1720 . 1 1 5 SER HB3 H 3.362 4.373 3.211 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2md2 1
. 10 . 1721 . 1 1 5 SER HG H 2.804 2.160 1.834 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . rr_2md2 1
. 10 . 1722 . 1 1 5 SER N N 2.033 4.740 0.127 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2md2 1
. 10 . 1723 . 1 1 5 SER O O 3.542 7.105 2.373 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . rr_2md2 1
. 10 . 1724 . 1 1 5 SER OG O 2.341 2.887 2.256 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . rr_2md2 1
. 10 . 1725 . 1 1 6 LYS C C 4.083 9.102 0.454 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . rr_2md2 1
. 10 . 1726 . 1 1 6 LYS CA C 4.742 7.811 -0.023 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . rr_2md2 1
. 10 . 1727 . 1 1 6 LYS CB C 5.108 7.930 -1.504 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . rr_2md2 1
. 10 . 1728 . 1 1 6 LYS CD C 7.178 6.812 -2.384 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . rr_2md2 1
. 10 . 1729 . 1 1 6 LYS CE C 6.943 6.785 -3.887 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . rr_2md2 1
. 10 . 1730 . 1 1 6 LYS CG C 6.600 8.067 -1.753 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . rr_2md2 1
. 10 . 1731 . 1 1 6 LYS H H 3.655 6.077 -0.565 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . rr_2md2 1
. 10 . 1732 . 1 1 6 LYS HA H 5.642 7.648 0.549 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . rr_2md2 1
. 10 . 1733 . 1 1 6 LYS HB2 H 4.757 7.049 -2.021 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . rr_2md2 1
. 10 . 1734 . 1 1 6 LYS HB3 H 4.614 8.799 -1.916 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . rr_2md2 1
. 10 . 1735 . 1 1 6 LYS HD2 H 8.241 6.782 -2.197 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . rr_2md2 1
. 10 . 1736 . 1 1 6 LYS HD3 H 6.707 5.946 -1.939 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . rr_2md2 1
. 10 . 1737 . 1 1 6 LYS HE2 H 7.347 5.866 -4.284 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . rr_2md2 1
. 10 . 1738 . 1 1 6 LYS HE3 H 5.880 6.820 -4.072 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . rr_2md2 1
. 10 . 1739 . 1 1 6 LYS HG2 H 6.770 8.902 -2.417 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . rr_2md2 1
. 10 . 1740 . 1 1 6 LYS HG3 H 7.097 8.248 -0.810 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . rr_2md2 1
. 10 . 1741 . 1 1 6 LYS HZ1 H 6.914 8.716 -4.681 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . rr_2md2 1
. 10 . 1742 . 1 1 6 LYS HZ2 H 7.931 7.649 -5.511 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . rr_2md2 1
. 10 . 1743 . 1 1 6 LYS HZ3 H 8.403 8.273 -4.012 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . rr_2md2 1
. 10 . 1744 . 1 1 6 LYS N N 3.861 6.669 0.190 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . rr_2md2 1
. 10 . 1745 . 1 1 6 LYS NZ N 7.593 7.937 -4.570 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . rr_2md2 1
. 10 . 1746 . 1 1 6 LYS O O 4.764 10.076 0.773 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . rr_2md2 1
. 10 . 1747 . 1 1 7 ALA C C 2.297 10.589 2.404 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . rr_2md2 1
. 10 . 1748 . 1 1 7 ALA CA C 2.005 10.270 0.942 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . rr_2md2 1
. 10 . 1749 . 1 1 7 ALA CB C 0.514 10.050 0.735 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . rr_2md2 1
. 10 . 1750 . 1 1 7 ALA H H 2.268 8.294 0.233 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . rr_2md2 1
. 10 . 1751 . 1 1 7 ALA HA H 2.308 11.110 0.334 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . rr_2md2 1
. 10 . 1752 . 1 1 7 ALA HB1 H -0.033 10.518 1.540 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . rr_2md2 1
. 10 . 1753 . 1 1 7 ALA HB2 H 0.213 10.485 -0.206 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . rr_2md2 1
. 10 . 1754 . 1 1 7 ALA HB3 H 0.305 8.991 0.726 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . rr_2md2 1
. 10 . 1755 . 1 1 7 ALA N N 2.755 9.101 0.501 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . rr_2md2 1
. 10 . 1756 . 1 1 7 ALA O O 2.150 11.731 2.841 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . rr_2md2 1
. 10 . 1757 . 1 1 8 GLN C C 4.500 9.502 4.837 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2md2 1
. 10 . 1758 . 1 1 8 GLN CA C 3.019 9.747 4.570 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2md2 1
. 10 . 1759 . 1 1 8 GLN CB C 2.172 8.797 5.420 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2md2 1
. 10 . 1760 . 1 1 8 GLN CD C 1.321 6.443 5.762 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2md2 1
. 10 . 1761 . 1 1 8 GLN CG C 2.095 7.386 4.861 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2md2 1
. 10 . 1762 . 1 1 8 GLN H H 2.805 8.687 2.751 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2md2 1
. 10 . 1763 . 1 1 8 GLN HA H 2.781 10.765 4.839 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2md2 1
. 10 . 1764 . 1 1 8 GLN HB2 H 2.596 8.746 6.412 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2md2 1
. 10 . 1765 . 1 1 8 GLN HB3 H 1.168 9.190 5.486 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2md2 1
. 10 . 1766 . 1 1 8 GLN HE21 H 1.758 4.910 4.574 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2md2 1
. 10 . 1767 . 1 1 8 GLN HE22 H 0.795 4.536 5.958 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2md2 1
. 10 . 1768 . 1 1 8 GLN HG2 H 1.607 7.420 3.898 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2md2 1
. 10 . 1769 . 1 1 8 GLN HG3 H 3.098 7.004 4.742 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2md2 1
. 10 . 1770 . 1 1 8 GLN N N 2.708 9.573 3.156 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2md2 1
. 10 . 1771 . 1 1 8 GLN NE2 N 1.287 5.168 5.394 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2md2 1
. 10 . 1772 . 1 1 8 GLN O O 4.963 9.617 5.971 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2md2 1
. 10 . 1773 . 1 1 8 GLN OE1 O 0.760 6.857 6.777 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2md2 1
. 10 . 1774 . 1 1 9 GLU C C 7.481 10.133 3.516 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . rr_2md2 1
. 10 . 1775 . 1 1 9 GLU CA C 6.667 8.902 3.905 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . rr_2md2 1
. 10 . 1776 . 1 1 9 GLU CB C 7.067 7.715 3.027 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . rr_2md2 1
. 10 . 1777 . 1 1 9 GLU CD C 8.510 6.101 4.329 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . rr_2md2 1
. 10 . 1778 . 1 1 9 GLU CG C 8.475 7.208 3.294 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . rr_2md2 1
. 10 . 1779 . 1 1 9 GLU H H 4.811 9.089 2.905 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . rr_2md2 1
. 10 . 1780 . 1 1 9 GLU HA H 6.873 8.661 4.937 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . rr_2md2 1
. 10 . 1781 . 1 1 9 GLU HB2 H 6.375 6.904 3.203 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . rr_2md2 1
. 10 . 1782 . 1 1 9 GLU HB3 H 7.004 8.012 1.991 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . rr_2md2 1
. 10 . 1783 . 1 1 9 GLU HG2 H 8.888 6.830 2.371 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . rr_2md2 1
. 10 . 1784 . 1 1 9 GLU HG3 H 9.079 8.031 3.647 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . rr_2md2 1
. 10 . 1785 . 1 1 9 GLU N N 5.238 9.164 3.783 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . rr_2md2 1
. 10 . 1786 . 1 1 9 GLU O O 8.306 10.617 4.291 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . rr_2md2 1
. 10 . 1787 . 1 1 9 GLU OE1 O 7.830 5.074 4.122 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . rr_2md2 1
. 10 . 1788 . 1 1 9 GLU OE2 O 9.217 6.261 5.346 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . rr_2md2 1
. 10 . 1789 . 1 1 10 LYS C C 7.314 13.092 2.342 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2md2 1
. 10 . 1790 . 1 1 10 LYS CA C 7.951 11.810 1.815 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2md2 1
. 10 . 1791 . 1 1 10 LYS CB C 7.956 11.822 0.285 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2md2 1
. 10 . 1792 . 1 1 10 LYS CD C 10.145 10.683 -0.185 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2md2 1
. 10 . 1793 . 1 1 10 LYS CE C 10.850 10.242 -1.459 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2md2 1
. 10 . 1794 . 1 1 10 LYS CG C 8.634 10.610 -0.331 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2md2 1
. 10 . 1795 . 1 1 10 LYS H H 6.572 10.206 1.737 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2md2 1
. 10 . 1796 . 1 1 10 LYS HA H 8.969 11.757 2.169 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2md2 1
. 10 . 1797 . 1 1 10 LYS HB2 H 6.935 11.854 -0.066 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2md2 1
. 10 . 1798 . 1 1 10 LYS HB3 H 8.472 12.708 -0.055 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2md2 1
. 10 . 1799 . 1 1 10 LYS HD2 H 10.428 11.702 0.035 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2md2 1
. 10 . 1800 . 1 1 10 LYS HD3 H 10.451 10.039 0.627 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2md2 1
. 10 . 1801 . 1 1 10 LYS HE2 H 10.215 10.467 -2.302 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2md2 1
. 10 . 1802 . 1 1 10 LYS HE3 H 11.776 10.789 -1.550 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2md2 1
. 10 . 1803 . 1 1 10 LYS HG2 H 8.278 9.719 0.165 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2md2 1
. 10 . 1804 . 1 1 10 LYS HG3 H 8.385 10.564 -1.381 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2md2 1
. 10 . 1805 . 1 1 10 LYS HZ1 H 10.277 8.240 -1.620 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2md2 1
. 10 . 1806 . 1 1 10 LYS HZ2 H 11.544 8.504 -0.532 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_2md2 1
. 10 . 1807 . 1 1 10 LYS HZ3 H 11.835 8.555 -2.197 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2md2 1
. 10 . 1808 . 1 1 10 LYS N N 7.242 10.635 2.309 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2md2 1
. 10 . 1809 . 1 1 10 LYS NZ N 11.147 8.783 -1.452 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2md2 1
. 10 . 1810 . 1 1 10 LYS O O 7.829 13.717 3.269 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2md2 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_2md2
_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 2md2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2md2 1
1 2md2.mr . . DYANA/DIANA 2 distance NOE simple 101 rr_2md2 1
1 2md2.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 16 rr_2md2 1
1 2md2.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2md2 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_2md2
_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: '2md2'" . . . . distance "general distance" . 101 rr_2md2 1
2 "From CCPN project: '2md2'" . . . . "dihedral angle" "Not applicable" . 16 rr_2md2 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 2md2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2md2 1
1 2md2.mr . . DYANA/DIANA 2 distance NOE simple 101 rr_2md2 1
1 2md2.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 16 rr_2md2 1
1 2md2.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2md2 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_2md2
_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_2md2 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 1 1 TRP HA H . . . 1 1 2 2 LYS H H . . . . . . . 3.3 . . . . . A . 1 TRP HA . . A . 2 LYS H . . . 1 TRP HA . . . . . 2 LYS H . . rr_2md2 1
2 1 OR . 1 1 1 1 TRP H1 H . . . 1 1 1 1 TRP HB2 H . . . . . . . 3.5 . . . . . A . 1 TRP H1 . . A . 1 TRP HB2 . . . 1 TRP H . . . . . 1 TRP QB . . rr_2md2 1
2 2 OR . 1 1 1 1 TRP HB3 H . . . 1 1 1 1 TRP H1 H . . . . . . . 3.5 . . . . . A . 1 TRP HB3 . . A . 1 TRP H1 . . . 1 TRP QB . . . . . 1 TRP H . . rr_2md2 1
3 1 OR . 1 1 2 2 LYS H H . . . 1 1 1 1 TRP HB2 H . . . . . . . 3.3 . . . . . A . 2 LYS H . . A . 1 TRP HB2 . . . 2 LYS H . . . . . 1 TRP QB . . rr_2md2 1
3 2 OR . 1 1 2 2 LYS H H . . . 1 1 1 1 TRP HB3 H . . . . . . . 3.3 . . . . . A . 2 LYS H . . A . 1 TRP HB3 . . . 2 LYS H . . . . . 1 TRP QB . . rr_2md2 1
4 1 . . 1 1 1 1 TRP HA H . . . 1 1 3 3 LEU H H . . . . . . . 4.4 . . . . . A . 1 TRP HA . . A . 3 LEU H . . . 1 TRP HA . . . . . 3 LEU H . . rr_2md2 1
5 1 . . 1 1 1 1 TRP HA H . . . 1 1 4 4 LEU H H . . . . . . . 4.0 . . . . . A . 1 TRP HA . . A . 4 LEU H . . . 1 TRP HA . . . . . 4 LEU H . . rr_2md2 1
6 1 . . 1 1 1 1 TRP HA H . . . 1 1 5 5 SER H H . . . . . . . 4.4 . . . . . A . 1 TRP HA . . A . 5 SER H . . . 1 TRP HA . . . . . 5 SER H . . rr_2md2 1
7 1 OR . 1 1 3 3 LEU H H . . . 1 1 1 1 TRP HB2 H . . . . . . . 4.1 . . . . . A . 3 LEU H . . A . 1 TRP HB2 . . . 3 LEU H . . . . . 1 TRP QB . . rr_2md2 1
7 2 OR . 1 1 1 1 TRP HB3 H . . . 1 1 3 3 LEU H H . . . . . . . 4.1 . . . . . A . 1 TRP HB3 . . A . 3 LEU H . . . 1 TRP QB . . . . . 3 LEU H . . rr_2md2 1
8 1 OR . 1 1 4 4 LEU H H . . . 1 1 1 1 TRP HB2 H . . . . . . . 4.6 . . . . . A . 4 LEU H . . A . 1 TRP HB2 . . . 4 LEU H . . . . . 1 TRP QB . . rr_2md2 1
8 2 OR . 1 1 1 1 TRP HB3 H . . . 1 1 4 4 LEU H H . . . . . . . 4.6 . . . . . A . 1 TRP HB3 . . A . 4 LEU H . . . 1 TRP QB . . . . . 4 LEU H . . rr_2md2 1
9 1 OR . 1 1 5 5 SER H H . . . 1 1 1 1 TRP HB2 H . . . . . . . 4.9 . . . . . A . 5 SER H . . A . 1 TRP HB2 . . . 5 SER H . . . . . 1 TRP QB . . rr_2md2 1
9 2 OR . 1 1 1 1 TRP HB3 H . . . 1 1 5 5 SER H H . . . . . . . 4.9 . . . . . A . 1 TRP HB3 . . A . 5 SER H . . . 1 TRP QB . . . . . 5 SER H . . rr_2md2 1
10 1 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HB2 H . . . . . . . 3.8 . . . . . A . 2 LYS H . . A . 2 LYS HB2 . . . 2 LYS H . . . . . 2 LYS QB . . rr_2md2 1
10 2 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HB3 H . . . . . . . 3.8 . . . . . A . 2 LYS H . . A . 2 LYS HB3 . . . 2 LYS H . . . . . 2 LYS QB . . rr_2md2 1
11 1 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HD2 H . . . . . . . 3.8 . . . . . A . 2 LYS H . . A . 2 LYS HD2 . . . 2 LYS H . . . . . 2 LYS QD . . rr_2md2 1
11 2 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HD3 H . . . . . . . 3.8 . . . . . A . 2 LYS H . . A . 2 LYS HD3 . . . 2 LYS H . . . . . 2 LYS QD . . rr_2md2 1
12 1 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HG2 H . . . . . . . 3.8 . . . . . A . 2 LYS H . . A . 2 LYS HG2 . . . 2 LYS H . . . . . 2 LYS QG . . rr_2md2 1
12 2 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HG3 H . . . . . . . 3.8 . . . . . A . 2 LYS H . . A . 2 LYS HG3 . . . 2 LYS H . . . . . 2 LYS QG . . rr_2md2 1
13 1 . . 1 1 3 3 LEU H H . . . 1 1 2 2 LYS HA H . . . . . . . 4.4 . . . . . A . 3 LEU H . . A . 2 LYS HA . . . 3 LEU H . . . . . 2 LYS HA . . rr_2md2 1
14 1 . . 1 1 4 4 LEU H H . . . 1 1 2 2 LYS HA H . . . . . . . 3.6 . . . . . A . 4 LEU H . . A . 2 LYS HA . . . 4 LEU H . . . . . 2 LYS HA . . rr_2md2 1
15 1 . . 1 1 5 5 SER H H . . . 1 1 2 2 LYS HA H . . . . . . . 4.2 . . . . . A . 5 SER H . . A . 2 LYS HA . . . 5 SER H . . . . . 2 LYS HA . . rr_2md2 1
16 1 OR . 1 1 3 3 LEU H H . . . 1 1 2 2 LYS HB2 H . . . . . . . 4.1 . . . . . A . 3 LEU H . . A . 2 LYS HB2 . . . 3 LEU H . . . . . 2 LYS QB . . rr_2md2 1
16 2 OR . 1 1 3 3 LEU H H . . . 1 1 2 2 LYS HB3 H . . . . . . . 4.1 . . . . . A . 3 LEU H . . A . 2 LYS HB3 . . . 3 LEU H . . . . . 2 LYS QB . . rr_2md2 1
17 1 OR . 1 1 4 4 LEU H H . . . 1 1 2 2 LYS HB2 H . . . . . . . 4.2 . . . . . A . 4 LEU H . . A . 2 LYS HB2 . . . 4 LEU H . . . . . 2 LYS QB . . rr_2md2 1
17 2 OR . 1 1 4 4 LEU H H . . . 1 1 2 2 LYS HB3 H . . . . . . . 4.2 . . . . . A . 4 LEU H . . A . 2 LYS HB3 . . . 4 LEU H . . . . . 2 LYS QB . . rr_2md2 1
18 1 OR . 1 1 5 5 SER H H . . . 1 1 2 2 LYS HB2 H . . . . . . . 4.7 . . . . . A . 5 SER H . . A . 2 LYS HB2 . . . 5 SER H . . . . . 2 LYS QB . . rr_2md2 1
18 2 OR . 1 1 5 5 SER H H . . . 1 1 2 2 LYS HB3 H . . . . . . . 4.7 . . . . . A . 5 SER H . . A . 2 LYS HB3 . . . 5 SER H . . . . . 2 LYS QB . . rr_2md2 1
19 1 OR . 1 1 6 6 LYS H H . . . 1 1 2 2 LYS HB2 H . . . . . . . 4.4 . . . . . A . 6 LYS H . . A . 2 LYS HB2 . . . 6 LYS H . . . . . 2 LYS QB . . rr_2md2 1
19 2 OR . 1 1 2 2 LYS HB3 H . . . 1 1 6 6 LYS H H . . . . . . . 4.4 . . . . . A . 2 LYS HB3 . . A . 6 LYS H . . . 2 LYS QB . . . . . 6 LYS H . . rr_2md2 1
20 1 OR . 1 1 3 3 LEU H H . . . 1 1 2 2 LYS HD2 H . . . . . . . 4.4 . . . . . A . 3 LEU H . . A . 2 LYS HD2 . . . 3 LEU H . . . . . 2 LYS QD . . rr_2md2 1
20 2 OR . 1 1 3 3 LEU H H . . . 1 1 2 2 LYS HD3 H . . . . . . . 4.4 . . . . . A . 3 LEU H . . A . 2 LYS HD3 . . . 3 LEU H . . . . . 2 LYS QD . . rr_2md2 1
21 1 OR . 1 1 5 5 SER H H . . . 1 1 2 2 LYS HD2 H . . . . . . . 4.6 . . . . . A . 5 SER H . . A . 2 LYS HD2 . . . 5 SER H . . . . . 2 LYS QD . . rr_2md2 1
21 2 OR . 1 1 5 5 SER H H . . . 1 1 2 2 LYS HD3 H . . . . . . . 4.6 . . . . . A . 5 SER H . . A . 2 LYS HD3 . . . 5 SER H . . . . . 2 LYS QD . . rr_2md2 1
22 1 OR . 1 1 3 3 LEU H H . . . 1 1 2 2 LYS HG2 H . . . . . . . 4.6 . . . . . A . 3 LEU H . . A . 2 LYS HG2 . . . 3 LEU H . . . . . 2 LYS QG . . rr_2md2 1
22 2 OR . 1 1 3 3 LEU H H . . . 1 1 2 2 LYS HG3 H . . . . . . . 4.6 . . . . . A . 3 LEU H . . A . 2 LYS HG3 . . . 3 LEU H . . . . . 2 LYS QG . . rr_2md2 1
23 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 LEU HA H . . . . . . . 3.3 . . . . . A . 4 LEU H . . A . 3 LEU HA . . . 4 LEU H . . . . . 3 LEU HA . . rr_2md2 1
24 1 . . 1 1 5 5 SER H H . . . 1 1 3 3 LEU HA H . . . . . . . 4.4 . . . . . A . 5 SER H . . A . 3 LEU HA . . . 5 SER H . . . . . 3 LEU HA . . rr_2md2 1
25 1 . . 1 1 6 6 LYS H H . . . 1 1 3 3 LEU HA H . . . . . . . 3.6 . . . . . A . 6 LYS H . . A . 3 LEU HA . . . 6 LYS H . . . . . 3 LEU HA . . rr_2md2 1
26 1 OR . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU HB2 H . . . . . . . 3.8 . . . . . A . 3 LEU H . . A . 3 LEU HB2 . . . 3 LEU H . . . . . 3 LEU QB . . rr_2md2 1
26 2 OR . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU HB3 H . . . . . . . 3.8 . . . . . A . 3 LEU H . . A . 3 LEU HB3 . . . 3 LEU H . . . . . 3 LEU QB . . rr_2md2 1
27 1 OR . 1 1 5 5 SER H H . . . 1 1 3 3 LEU HB2 H . . . . . . . 4.7 . . . . . A . 5 SER H . . A . 3 LEU HB2 . . . 5 SER H . . . . . 3 LEU QB . . rr_2md2 1
27 2 OR . 1 1 5 5 SER H H . . . 1 1 3 3 LEU HB3 H . . . . . . . 4.7 . . . . . A . 5 SER H . . A . 3 LEU HB3 . . . 5 SER H . . . . . 3 LEU QB . . rr_2md2 1
28 1 OR . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU MD1 H . . . . . . . 3.8 . . . . . A . 3 LEU H . . A . 3 LEU MD1 . . . 3 LEU H . . . . . 3 LEU QQD . . rr_2md2 1
28 2 OR . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU MD2 H . . . . . . . 3.8 . . . . . A . 3 LEU H . . A . 3 LEU MD2 . . . 3 LEU H . . . . . 3 LEU QQD . . rr_2md2 1
29 1 OR . 1 1 4 4 LEU H H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.2 . . . . . A . 4 LEU H . . A . 3 LEU MD1 . . . 4 LEU H . . . . . 3 LEU QQD . . rr_2md2 1
29 2 OR . 1 1 4 4 LEU H H . . . 1 1 3 3 LEU MD2 H . . . . . . . 4.2 . . . . . A . 4 LEU H . . A . 3 LEU MD2 . . . 4 LEU H . . . . . 3 LEU QQD . . rr_2md2 1
30 1 OR . 1 1 5 5 SER H H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.5 . . . . . A . 5 SER H . . A . 3 LEU MD1 . . . 5 SER H . . . . . 3 LEU QQD . . rr_2md2 1
30 2 OR . 1 1 5 5 SER H H . . . 1 1 3 3 LEU MD2 H . . . . . . . 4.5 . . . . . A . 5 SER H . . A . 3 LEU MD2 . . . 5 SER H . . . . . 3 LEU QQD . . rr_2md2 1
31 1 OR . 1 1 6 6 LYS H H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.4 . . . . . A . 6 LYS H . . A . 3 LEU MD1 . . . 6 LYS H . . . . . 3 LEU QQD . . rr_2md2 1
31 2 OR . 1 1 6 6 LYS H H . . . 1 1 3 3 LEU MD2 H . . . . . . . 4.4 . . . . . A . 6 LYS H . . A . 3 LEU MD2 . . . 6 LYS H . . . . . 3 LEU QQD . . rr_2md2 1
32 1 . . 1 1 5 5 SER H H . . . 1 1 4 4 LEU HA H . . . . . . . 3.3 . . . . . A . 5 SER H . . A . 4 LEU HA . . . 5 SER H . . . . . 4 LEU HA . . rr_2md2 1
33 1 . . 1 1 6 6 LYS H H . . . 1 1 4 4 LEU HA H . . . . . . . 4.2 . . . . . A . 6 LYS H . . A . 4 LEU HA . . . 6 LYS H . . . . . 4 LEU HA . . rr_2md2 1
34 1 OR . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HB2 H . . . . . . . 3.8 . . . . . A . 4 LEU H . . A . 4 LEU HB2 . . . 4 LEU H . . . . . 4 LEU QB . . rr_2md2 1
34 2 OR . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HB3 H . . . . . . . 3.8 . . . . . A . 4 LEU H . . A . 4 LEU HB3 . . . 4 LEU H . . . . . 4 LEU QB . . rr_2md2 1
35 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HG H . . . . . . . 4.4 . . . . . A . 4 LEU H . . A . 4 LEU HG . . . 4 LEU H . . . . . 4 LEU HG . . rr_2md2 1
36 1 OR . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU MD1 H . . . . . . . 3.8 . . . . . A . 4 LEU H . . A . 4 LEU MD1 . . . 4 LEU H . . . . . 4 LEU QQD . . rr_2md2 1
36 2 OR . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU MD2 H . . . . . . . 3.8 . . . . . A . 4 LEU H . . A . 4 LEU MD2 . . . 4 LEU H . . . . . 4 LEU QQD . . rr_2md2 1
37 1 OR . 1 1 5 5 SER H H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.0 . . . . . A . 5 SER H . . A . 4 LEU MD1 . . . 5 SER H . . . . . 4 LEU QQD . . rr_2md2 1
37 2 OR . 1 1 5 5 SER H H . . . 1 1 4 4 LEU MD2 H . . . . . . . 4.0 . . . . . A . 5 SER H . . A . 4 LEU MD2 . . . 5 SER H . . . . . 4 LEU QQD . . rr_2md2 1
38 1 OR . 1 1 6 6 LYS H H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.4 . . . . . A . 6 LYS H . . A . 4 LEU MD1 . . . 6 LYS H . . . . . 4 LEU QQD . . rr_2md2 1
38 2 OR . 1 1 6 6 LYS H H . . . 1 1 4 4 LEU MD2 H . . . . . . . 4.4 . . . . . A . 6 LYS H . . A . 4 LEU MD2 . . . 6 LYS H . . . . . 4 LEU QQD . . rr_2md2 1
39 1 OR . 1 1 7 7 ALA H H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.4 . . . . . A . 7 ALA H . . A . 4 LEU MD1 . . . 7 ALA H . . . . . 4 LEU QQD . . rr_2md2 1
39 2 OR . 1 1 4 4 LEU MD2 H . . . 1 1 7 7 ALA H H . . . . . . . 4.4 . . . . . A . 4 LEU MD2 . . A . 7 ALA H . . . 4 LEU QQD . . . . . 7 ALA H . . rr_2md2 1
40 1 . . 1 1 6 6 LYS H H . . . 1 1 5 5 SER HA H . . . . . . . 3.3 . . . . . A . 6 LYS H . . A . 5 SER HA . . . 6 LYS H . . . . . 5 SER HA . . rr_2md2 1
41 1 . . 1 1 7 7 ALA H H . . . 1 1 5 5 SER HA H . . . . . . . 4.4 . . . . . A . 7 ALA H . . A . 5 SER HA . . . 7 ALA H . . . . . 5 SER HA . . rr_2md2 1
42 1 . . 1 1 5 5 SER HA H . . . 1 1 8 8 GLN H H . . . . . . . 3.4 . . . . . A . 5 SER HA . . A . 8 GLN H . . . 5 SER HA . . . . . 8 GLN H . . rr_2md2 1
43 1 OR . 1 1 5 5 SER H H . . . 1 1 5 5 SER HB2 H . . . . . . . 3.3 . . . . . A . 5 SER H . . A . 5 SER HB2 . . . 5 SER H . . . . . 5 SER QB . . rr_2md2 1
43 2 OR . 1 1 5 5 SER H H . . . 1 1 5 5 SER HB3 H . . . . . . . 3.3 . . . . . A . 5 SER H . . A . 5 SER HB3 . . . 5 SER H . . . . . 5 SER QB . . rr_2md2 1
44 1 OR . 1 1 6 6 LYS H H . . . 1 1 5 5 SER HB2 H . . . . . . . 3.8 . . . . . A . 6 LYS H . . A . 5 SER HB2 . . . 6 LYS H . . . . . 5 SER QB . . rr_2md2 1
44 2 OR . 1 1 6 6 LYS H H . . . 1 1 5 5 SER HB3 H . . . . . . . 3.8 . . . . . A . 6 LYS H . . A . 5 SER HB3 . . . 6 LYS H . . . . . 5 SER QB . . rr_2md2 1
45 1 OR . 1 1 7 7 ALA H H . . . 1 1 5 5 SER HB2 H . . . . . . . 4.4 . . . . . A . 7 ALA H . . A . 5 SER HB2 . . . 7 ALA H . . . . . 5 SER QB . . rr_2md2 1
45 2 OR . 1 1 7 7 ALA H H . . . 1 1 5 5 SER HB3 H . . . . . . . 4.4 . . . . . A . 7 ALA H . . A . 5 SER HB3 . . . 7 ALA H . . . . . 5 SER QB . . rr_2md2 1
46 1 . . 1 1 7 7 ALA H H . . . 1 1 6 6 LYS HA H . . . . . . . 3.3 . . . . . A . 7 ALA H . . A . 6 LYS HA . . . 7 ALA H . . . . . 6 LYS HA . . rr_2md2 1
47 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HB2 H . . . . . . . 3.8 . . . . . A . 6 LYS H . . A . 6 LYS HB2 . . . 6 LYS H . . . . . 6 LYS QB . . rr_2md2 1
47 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HB3 H . . . . . . . 3.8 . . . . . A . 6 LYS H . . A . 6 LYS HB3 . . . 6 LYS H . . . . . 6 LYS QB . . rr_2md2 1
48 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HD2 H . . . . . . . 3.8 . . . . . A . 6 LYS H . . A . 6 LYS HD2 . . . 6 LYS H . . . . . 6 LYS QD . . rr_2md2 1
48 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HD3 H . . . . . . . 3.8 . . . . . A . 6 LYS H . . A . 6 LYS HD3 . . . 6 LYS H . . . . . 6 LYS QD . . rr_2md2 1
49 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HG2 H . . . . . . . 4.0 . . . . . A . 6 LYS H . . A . 6 LYS HG2 . . . 6 LYS H . . . . . 6 LYS QG . . rr_2md2 1
49 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HG3 H . . . . . . . 4.0 . . . . . A . 6 LYS H . . A . 6 LYS HG3 . . . 6 LYS H . . . . . 6 LYS QG . . rr_2md2 1
50 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HE2 H . . . . . . . 4.8 . . . . . A . 6 LYS H . . A . 6 LYS HE2 . . . 6 LYS H . . . . . 6 LYS QE . . rr_2md2 1
50 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HE3 H . . . . . . . 4.8 . . . . . A . 6 LYS H . . A . 6 LYS HE3 . . . 6 LYS H . . . . . 6 LYS QE . . rr_2md2 1
51 1 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 LYS HB2 H . . . . . . . 4.6 . . . . . A . 7 ALA H . . A . 6 LYS HB2 . . . 7 ALA H . . . . . 6 LYS QB . . rr_2md2 1
51 2 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 LYS HB3 H . . . . . . . 4.6 . . . . . A . 7 ALA H . . A . 6 LYS HB3 . . . 7 ALA H . . . . . 6 LYS QB . . rr_2md2 1
52 1 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 LYS HG2 H . . . . . . . 4.8 . . . . . A . 7 ALA H . . A . 6 LYS HG2 . . . 7 ALA H . . . . . 6 LYS QG . . rr_2md2 1
52 2 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 LYS HG3 H . . . . . . . 4.8 . . . . . A . 7 ALA H . . A . 6 LYS HG3 . . . 7 ALA H . . . . . 6 LYS QG . . rr_2md2 1
53 1 OR . 1 1 8 8 GLN H H . . . 1 1 6 6 LYS HB2 H . . . . . . . 4.6 . . . . . A . 8 GLN H . . A . 6 LYS HB2 . . . 8 GLN H . . . . . 6 LYS QB . . rr_2md2 1
53 2 OR . 1 1 8 8 GLN H H . . . 1 1 6 6 LYS HB3 H . . . . . . . 4.6 . . . . . A . 8 GLN H . . A . 6 LYS HB3 . . . 8 GLN H . . . . . 6 LYS QB . . rr_2md2 1
54 1 . . 1 1 6 6 LYS HA H . . . 1 1 9 9 GLU H H . . . . . . . 3.4 . . . . . A . 6 LYS HA . . A . 9 GLU H . . . 6 LYS HA . . . . . 9 GLU H . . rr_2md2 1
55 1 OR . 1 1 9 9 GLU H H . . . 1 1 6 6 LYS HG2 H . . . . . . . 4.2 . . . . . A . 9 GLU H . . A . 6 LYS HG2 . . . 9 GLU H . . . . . 6 LYS QG . . rr_2md2 1
55 2 OR . 1 1 6 6 LYS HG3 H . . . 1 1 9 9 GLU H H . . . . . . . 4.2 . . . . . A . 6 LYS HG3 . . A . 9 GLU H . . . 6 LYS QG . . . . . 9 GLU H . . rr_2md2 1
56 1 OR . 1 1 9 9 GLU H H . . . 1 1 6 6 LYS HB2 H . . . . . . . 4.4 . . . . . A . 9 GLU H . . A . 6 LYS HB2 . . . 9 GLU H . . . . . 6 LYS QB . . rr_2md2 1
56 2 OR . 1 1 6 6 LYS HB3 H . . . 1 1 9 9 GLU H H . . . . . . . 4.4 . . . . . A . 6 LYS HB3 . . A . 9 GLU H . . . 6 LYS QB . . . . . 9 GLU H . . rr_2md2 1
57 1 . . 1 1 8 8 GLN H H . . . 1 1 7 7 ALA HA H . . . . . . . 3.3 . . . . . A . 8 GLN H . . A . 7 ALA HA . . . 8 GLN H . . . . . 7 ALA HA . . rr_2md2 1
58 1 . . 1 1 9 9 GLU H H . . . 1 1 7 7 ALA HA H . . . . . . . 4.4 . . . . . A . 9 GLU H . . A . 7 ALA HA . . . 9 GLU H . . . . . 7 ALA HA . . rr_2md2 1
59 1 . . 1 1 7 7 ALA H H . . . 1 1 7 7 ALA MB H . . . . . . . 3.3 . . . . . A . 7 ALA H . . A . 7 ALA MB . . . 7 ALA H . . . . . 7 ALA QB . . rr_2md2 1
60 1 . . 1 1 8 8 GLN H H . . . 1 1 7 7 ALA MB H . . . . . . . 4.4 . . . . . A . 8 GLN H . . A . 7 ALA MB . . . 8 GLN H . . . . . 7 ALA QB . . rr_2md2 1
61 1 . . 1 1 9 9 GLU H H . . . 1 1 8 8 GLN HA H . . . . . . . 3.3 . . . . . A . 9 GLU H . . A . 8 GLN HA . . . 9 GLU H . . . . . 8 GLN HA . . rr_2md2 1
62 1 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HB2 H . . . . . . . 3.3 . . . . . A . 8 GLN H . . A . 8 GLN HB2 . . . 8 GLN H . . . . . 8 GLN QB . . rr_2md2 1
62 2 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HB3 H . . . . . . . 3.3 . . . . . A . 8 GLN H . . A . 8 GLN HB3 . . . 8 GLN H . . . . . 8 GLN QB . . rr_2md2 1
63 1 OR . 1 1 9 9 GLU H H . . . 1 1 8 8 GLN HB2 H . . . . . . . 3.8 . . . . . A . 9 GLU H . . A . 8 GLN HB2 . . . 9 GLU H . . . . . 8 GLN QB . . rr_2md2 1
63 2 OR . 1 1 9 9 GLU H H . . . 1 1 8 8 GLN HB3 H . . . . . . . 3.8 . . . . . A . 9 GLU H . . A . 8 GLN HB3 . . . 9 GLU H . . . . . 8 GLN QB . . rr_2md2 1
64 1 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HG2 H . . . . . . . 3.8 . . . . . A . 8 GLN H . . A . 8 GLN HG2 . . . 8 GLN H . . . . . 8 GLN QG . . rr_2md2 1
64 2 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HG3 H . . . . . . . 3.8 . . . . . A . 8 GLN H . . A . 8 GLN HG3 . . . 8 GLN H . . . . . 8 GLN QG . . rr_2md2 1
65 1 OR . 1 1 9 9 GLU H H . . . 1 1 8 8 GLN HG2 H . . . . . . . 4.0 . . . . . A . 9 GLU H . . A . 8 GLN HG2 . . . 9 GLU H . . . . . 8 GLN QG . . rr_2md2 1
65 2 OR . 1 1 9 9 GLU H H . . . 1 1 8 8 GLN HG3 H . . . . . . . 4.0 . . . . . A . 9 GLU H . . A . 8 GLN HG3 . . . 9 GLU H . . . . . 8 GLN QG . . rr_2md2 1
66 1 . . 1 1 9 9 GLU HA H . . . 1 1 10 10 LYS H H . . . . . . . 3.8 . . . . . A . 9 GLU HA . . A . 10 LYS H . . . 9 GLU HA . . . . . 10 LYS H . . rr_2md2 1
67 1 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HB2 H . . . . . . . 3.8 . . . . . A . 9 GLU H . . A . 9 GLU HB2 . . . 9 GLU H . . . . . 9 GLU QB . . rr_2md2 1
67 2 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HB3 H . . . . . . . 3.8 . . . . . A . 9 GLU H . . A . 9 GLU HB3 . . . 9 GLU H . . . . . 9 GLU QB . . rr_2md2 1
68 1 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HG2 H . . . . . . . 4.1 . . . . . A . 9 GLU H . . A . 9 GLU HG2 . . . 9 GLU H . . . . . 9 GLU QG . . rr_2md2 1
68 2 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HG3 H . . . . . . . 4.1 . . . . . A . 9 GLU H . . A . 9 GLU HG3 . . . 9 GLU H . . . . . 9 GLU QG . . rr_2md2 1
69 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB2 H . . . . . . . 4.0 . . . . . A . 10 LYS H . . A . 10 LYS HB2 . . . 10 LYS H . . . . . 10 LYS QB . . rr_2md2 1
69 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB3 H . . . . . . . 4.0 . . . . . A . 10 LYS H . . A . 10 LYS HB3 . . . 10 LYS H . . . . . 10 LYS QB . . rr_2md2 1
70 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HD2 H . . . . . . . 4.0 . . . . . A . 10 LYS H . . A . 10 LYS HD2 . . . 10 LYS H . . . . . 10 LYS QD . . rr_2md2 1
70 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HD3 H . . . . . . . 4.0 . . . . . A . 10 LYS H . . A . 10 LYS HD3 . . . 10 LYS H . . . . . 10 LYS QD . . rr_2md2 1
71 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG2 H . . . . . . . 4.0 . . . . . A . 10 LYS H . . A . 10 LYS HG2 . . . 10 LYS H . . . . . 10 LYS QG . . rr_2md2 1
71 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG3 H . . . . . . . 4.0 . . . . . A . 10 LYS H . . A . 10 LYS HG3 . . . 10 LYS H . . . . . 10 LYS QG . . rr_2md2 1
72 1 OR . 1 1 1 1 TRP HE3 H . . . 1 1 1 1 TRP HB2 H . . . . . . . 4.0 . . . . . A . 1 TRP HE3 . . A . 1 TRP HB2 . . . 1 TRP HE3 . . . . . 1 TRP QB . . rr_2md2 1
72 2 OR . 1 1 1 1 TRP HB3 H . . . 1 1 1 1 TRP HE3 H . . . . . . . 4.0 . . . . . A . 1 TRP HB3 . . A . 1 TRP HE3 . . . 1 TRP QB . . . . . 1 TRP HE3 . . rr_2md2 1
73 1 . . 1 1 1 1 TRP HA H . . . 1 1 1 1 TRP HD1 H . . . . . . . 4.2 . . . . . A . 1 TRP HA . . A . 1 TRP HD1 . . . 1 TRP HA . . . . . 1 TRP HD1 . . rr_2md2 1
74 1 OR . 1 1 1 1 TRP HD1 H . . . 1 1 1 1 TRP HB2 H . . . . . . . 4.0 . . . . . A . 1 TRP HD1 . . A . 1 TRP HB2 . . . 1 TRP HD1 . . . . . 1 TRP QB . . rr_2md2 1
74 2 OR . 1 1 1 1 TRP HB3 H . . . 1 1 1 1 TRP HD1 H . . . . . . . 4.0 . . . . . A . 1 TRP HB3 . . A . 1 TRP HD1 . . . 1 TRP QB . . . . . 1 TRP HD1 . . rr_2md2 1
75 1 . . 1 1 1 1 TRP HZ2 H . . . 1 1 1 1 TRP HE1 H . . . . . . . 4.0 . . . . . A . 1 TRP HZ2 . . A . 1 TRP HE1 . . . 1 TRP HZ2 . . . . . 1 TRP HE1 . . rr_2md2 1
76 1 . . 1 1 1 1 TRP HD1 H . . . 1 1 1 1 TRP HE1 H . . . . . . . 4.0 . . . . . A . 1 TRP HD1 . . A . 1 TRP HE1 . . . 1 TRP HD1 . . . . . 1 TRP HE1 . . rr_2md2 1
77 1 . . 1 1 1 1 TRP HA H . . . 1 1 1 1 TRP HE1 H . . . . . . . 4.9 . . . . . A . 1 TRP HA . . A . 1 TRP HE1 . . . 1 TRP HA . . . . . 1 TRP HE1 . . rr_2md2 1
78 1 OR . 1 1 1 1 TRP HE1 H . . . 1 1 1 1 TRP HB2 H . . . . . . . 4.4 . . . . . A . 1 TRP HE1 . . A . 1 TRP HB2 . . . 1 TRP HE1 . . . . . 1 TRP QB . . rr_2md2 1
78 2 OR . 1 1 1 1 TRP HB3 H . . . 1 1 1 1 TRP HE1 H . . . . . . . 4.4 . . . . . A . 1 TRP HB3 . . A . 1 TRP HE1 . . . 1 TRP QB . . . . . 1 TRP HE1 . . rr_2md2 1
79 1 . . 1 1 2 2 LYS H H . . . 1 1 1 1 TRP HD1 H . . . . . . . 3.2 . . . . . A . 2 LYS H . . A . 1 TRP HD1 . . . 2 LYS H . . . . . 1 TRP HD1 . . rr_2md2 1
80 1 . . 1 1 2 2 LYS H H . . . 1 1 1 1 TRP H1 H . . . . . . . 3.8 . . . . . A . 2 LYS H . . A . 1 TRP H1 . . . 2 LYS H . . . . . 1 TRP H . . rr_2md2 1
81 1 . . 1 1 2 2 LYS H H . . . 1 1 3 3 LEU H H . . . . . . . 2.8 . . . . . A . 2 LYS H . . A . 3 LEU H . . . 2 LYS H . . . . . 3 LEU H . . rr_2md2 1
82 1 . . 1 1 3 3 LEU H H . . . 1 1 4 4 LEU H H . . . . . . . 3.8 . . . . . A . 3 LEU H . . A . 4 LEU H . . . 3 LEU H . . . . . 4 LEU H . . rr_2md2 1
83 1 . . 1 1 4 4 LEU H H . . . 1 1 5 5 SER H H . . . . . . . 2.8 . . . . . A . 4 LEU H . . A . 5 SER H . . . 4 LEU H . . . . . 5 SER H . . rr_2md2 1
84 1 . . 1 1 5 5 SER H H . . . 1 1 6 6 LYS H H . . . . . . . 2.8 . . . . . A . 5 SER H . . A . 6 LYS H . . . 5 SER H . . . . . 6 LYS H . . rr_2md2 1
85 1 . . 1 1 6 6 LYS H H . . . 1 1 7 7 ALA H H . . . . . . . 2.8 . . . . . A . 6 LYS H . . A . 7 ALA H . . . 6 LYS H . . . . . 7 ALA H . . rr_2md2 1
86 1 . . 1 1 7 7 ALA H H . . . 1 1 8 8 GLN H H . . . . . . . 2.8 . . . . . A . 7 ALA H . . A . 8 GLN H . . . 7 ALA H . . . . . 8 GLN H . . rr_2md2 1
87 1 . . 1 1 8 8 GLN H H . . . 1 1 9 9 GLU H H . . . . . . . 2.8 . . . . . A . 8 GLN H . . A . 9 GLU H . . . 8 GLN H . . . . . 9 GLU H . . rr_2md2 1
88 1 . . 1 1 9 9 GLU H H . . . 1 1 10 10 LYS H H . . . . . . . 2.8 . . . . . A . 9 GLU H . . A . 10 LYS H . . . 9 GLU H . . . . . 10 LYS H . . rr_2md2 1
89 1 OR . 1 1 1 1 TRP HE1 H . . . 1 1 3 3 LEU HB2 H . . . . . . . 4.0 . . . . . A . 1 TRP HE1 . . A . 3 LEU HB2 . . . 1 TRP HE1 . . . . . 3 LEU QB . . rr_2md2 1
89 2 OR . 1 1 3 3 LEU HB3 H . . . 1 1 1 1 TRP HE1 H . . . . . . . 4.0 . . . . . A . 3 LEU HB3 . . A . 1 TRP HE1 . . . 3 LEU QB . . . . . 1 TRP HE1 . . rr_2md2 1
90 1 OR . 1 1 1 1 TRP HE3 H . . . 1 1 3 3 LEU MD1 H . . . . . . . 3.8 . . . . . A . 1 TRP HE3 . . A . 3 LEU MD1 . . . 1 TRP HE3 . . . . . 3 LEU QQD . . rr_2md2 1
90 2 OR . 1 1 3 3 LEU MD2 H . . . 1 1 1 1 TRP HE3 H . . . . . . . 3.8 . . . . . A . 3 LEU MD2 . . A . 1 TRP HE3 . . . 3 LEU QQD . . . . . 1 TRP HE3 . . rr_2md2 1
91 1 OR . 1 1 1 1 TRP HE3 H . . . 1 1 3 3 LEU HB2 H . . . . . . . 3.8 . . . . . A . 1 TRP HE3 . . A . 3 LEU HB2 . . . 1 TRP HE3 . . . . . 3 LEU QB . . rr_2md2 1
91 2 OR . 1 1 3 3 LEU HB3 H . . . 1 1 1 1 TRP HE3 H . . . . . . . 3.8 . . . . . A . 3 LEU HB3 . . A . 1 TRP HE3 . . . 3 LEU QB . . . . . 1 TRP HE3 . . rr_2md2 1
92 1 OR . 1 1 1 1 TRP HZ3 H . . . 1 1 3 3 LEU HB2 H . . . . . . . 4.0 . . . . . A . 1 TRP HZ3 . . A . 3 LEU HB2 . . . 1 TRP HZ3 . . . . . 3 LEU QB . . rr_2md2 1
92 2 OR . 1 1 3 3 LEU HB3 H . . . 1 1 1 1 TRP HZ3 H . . . . . . . 4.0 . . . . . A . 3 LEU HB3 . . A . 1 TRP HZ3 . . . 3 LEU QB . . . . . 1 TRP HZ3 . . rr_2md2 1
93 1 OR . 1 1 1 1 TRP HZ3 H . . . 1 1 3 3 LEU HB2 H . . . . . . . 4.0 . . . . . A . 1 TRP HZ3 . . A . 3 LEU HB2 . . . 1 TRP HZ3 . . . . . 3 LEU QB . . rr_2md2 1
93 2 OR . 1 1 3 3 LEU HB3 H . . . 1 1 1 1 TRP HZ3 H . . . . . . . 4.0 . . . . . A . 3 LEU HB3 . . A . 1 TRP HZ3 . . . 3 LEU QB . . . . . 1 TRP HZ3 . . rr_2md2 1
94 1 OR . 1 1 1 1 TRP HZ3 H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.0 . . . . . A . 1 TRP HZ3 . . A . 3 LEU MD1 . . . 1 TRP HZ3 . . . . . 3 LEU QQD . . rr_2md2 1
94 2 OR . 1 1 3 3 LEU MD2 H . . . 1 1 1 1 TRP HZ3 H . . . . . . . 4.0 . . . . . A . 3 LEU MD2 . . A . 1 TRP HZ3 . . . 3 LEU QQD . . . . . 1 TRP HZ3 . . rr_2md2 1
95 1 OR . 1 1 1 1 TRP HH2 H . . . 1 1 3 3 LEU HB2 H . . . . . . . 3.8 . . . . . A . 1 TRP HH2 . . A . 3 LEU HB2 . . . 1 TRP HH2 . . . . . 3 LEU QB . . rr_2md2 1
95 2 OR . 1 1 3 3 LEU HB3 H . . . 1 1 1 1 TRP HH2 H . . . . . . . 3.8 . . . . . A . 3 LEU HB3 . . A . 1 TRP HH2 . . . 3 LEU QB . . . . . 1 TRP HH2 . . rr_2md2 1
96 1 OR . 1 1 1 1 TRP HH2 H . . . 1 1 3 3 LEU MD1 H . . . . . . . 3.8 . . . . . A . 1 TRP HH2 . . A . 3 LEU MD1 . . . 1 TRP HH2 . . . . . 3 LEU QQD . . rr_2md2 1
96 2 OR . 1 1 3 3 LEU MD2 H . . . 1 1 1 1 TRP HH2 H . . . . . . . 3.8 . . . . . A . 3 LEU MD2 . . A . 1 TRP HH2 . . . 3 LEU QQD . . . . . 1 TRP HH2 . . rr_2md2 1
97 1 OR . 1 1 1 1 TRP HD1 H . . . 1 1 3 3 LEU HB2 H . . . . . . . 4.5 . . . . . A . 1 TRP HD1 . . A . 3 LEU HB2 . . . 1 TRP HD1 . . . . . 3 LEU QB . . rr_2md2 1
97 2 OR . 1 1 3 3 LEU HB3 H . . . 1 1 1 1 TRP HD1 H . . . . . . . 4.5 . . . . . A . 3 LEU HB3 . . A . 1 TRP HD1 . . . 3 LEU QB . . . . . 1 TRP HD1 . . rr_2md2 1
98 1 OR . 1 1 1 1 TRP HD1 H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.0 . . . . . A . 1 TRP HD1 . . A . 3 LEU MD1 . . . 1 TRP HD1 . . . . . 3 LEU QQD . . rr_2md2 1
98 2 OR . 1 1 3 3 LEU MD2 H . . . 1 1 1 1 TRP HD1 H . . . . . . . 4.0 . . . . . A . 3 LEU MD2 . . A . 1 TRP HD1 . . . 3 LEU QQD . . . . . 1 TRP HD1 . . rr_2md2 1
99 1 OR . 1 1 1 1 TRP HD1 H . . . 1 1 2 2 LYS HB2 H . . . . . . . 3.8 . . . . . A . 1 TRP HD1 . . A . 2 LYS HB2 . . . 1 TRP HD1 . . . . . 2 LYS QB . . rr_2md2 1
99 2 OR . 1 1 2 2 LYS HB3 H . . . 1 1 1 1 TRP HD1 H . . . . . . . 3.8 . . . . . A . 2 LYS HB3 . . A . 1 TRP HD1 . . . 2 LYS QB . . . . . 1 TRP HD1 . . rr_2md2 1
100 1 OR . 1 1 1 1 TRP HZ2 H . . . 1 1 3 3 LEU MD1 H . . . . . . . 3.8 . . . . . A . 1 TRP HZ2 . . A . 3 LEU MD1 . . . 1 TRP HZ2 . . . . . 3 LEU QQD . . rr_2md2 1
100 2 OR . 1 1 3 3 LEU MD2 H . . . 1 1 1 1 TRP HZ2 H . . . . . . . 3.8 . . . . . A . 3 LEU MD2 . . A . 1 TRP HZ2 . . . 3 LEU QQD . . . . . 1 TRP HZ2 . . rr_2md2 1
101 1 OR . 1 1 1 1 TRP HZ2 H . . . 1 1 3 3 LEU HB2 H . . . . . . . 4.0 . . . . . A . 1 TRP HZ2 . . A . 3 LEU HB2 . . . 1 TRP HZ2 . . . . . 3 LEU QB . . rr_2md2 1
101 2 OR . 1 1 3 3 LEU HB3 H . . . 1 1 1 1 TRP HZ2 H . . . . . . . 4.0 . . . . . A . 3 LEU HB3 . . A . 1 TRP HZ2 . . . 3 LEU QB . . . . . 1 TRP HZ2 . . rr_2md2 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_2md2
_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_2md2 1
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_2md2 1
2 1 2 . OR rr_2md2 1
2 2 . 3 . rr_2md2 1
2 3 . . . rr_2md2 1
3 1 2 . OR rr_2md2 1
3 2 . 3 . rr_2md2 1
3 3 . . . rr_2md2 1
4 1 . . . rr_2md2 1
5 1 . . . rr_2md2 1
6 1 . . . rr_2md2 1
7 1 2 . OR rr_2md2 1
7 2 . 3 . rr_2md2 1
7 3 . . . rr_2md2 1
8 1 2 . OR rr_2md2 1
8 2 . 3 . rr_2md2 1
8 3 . . . rr_2md2 1
9 1 2 . OR rr_2md2 1
9 2 . 3 . rr_2md2 1
9 3 . . . rr_2md2 1
10 1 2 . OR rr_2md2 1
10 2 . 3 . rr_2md2 1
10 3 . . . rr_2md2 1
11 1 2 . OR rr_2md2 1
11 2 . 3 . rr_2md2 1
11 3 . . . rr_2md2 1
12 1 2 . OR rr_2md2 1
12 2 . 3 . rr_2md2 1
12 3 . . . rr_2md2 1
13 1 . . . rr_2md2 1
14 1 . . . rr_2md2 1
15 1 . . . rr_2md2 1
16 1 2 . OR rr_2md2 1
16 2 . 3 . rr_2md2 1
16 3 . . . rr_2md2 1
17 1 2 . OR rr_2md2 1
17 2 . 3 . rr_2md2 1
17 3 . . . rr_2md2 1
18 1 2 . OR rr_2md2 1
18 2 . 3 . rr_2md2 1
18 3 . . . rr_2md2 1
19 1 2 . OR rr_2md2 1
19 2 . 3 . rr_2md2 1
19 3 . . . rr_2md2 1
20 1 2 . OR rr_2md2 1
20 2 . 3 . rr_2md2 1
20 3 . . . rr_2md2 1
21 1 2 . OR rr_2md2 1
21 2 . 3 . rr_2md2 1
21 3 . . . rr_2md2 1
22 1 2 . OR rr_2md2 1
22 2 . 3 . rr_2md2 1
22 3 . . . rr_2md2 1
23 1 . . . rr_2md2 1
24 1 . . . rr_2md2 1
25 1 . . . rr_2md2 1
26 1 2 . OR rr_2md2 1
26 2 . 3 . rr_2md2 1
26 3 . . . rr_2md2 1
27 1 2 . OR rr_2md2 1
27 2 . 3 . rr_2md2 1
27 3 . . . rr_2md2 1
28 1 2 . OR rr_2md2 1
28 2 . 3 . rr_2md2 1
28 3 . . . rr_2md2 1
29 1 2 . OR rr_2md2 1
29 2 . 3 . rr_2md2 1
29 3 . . . rr_2md2 1
30 1 2 . OR rr_2md2 1
30 2 . 3 . rr_2md2 1
30 3 . . . rr_2md2 1
31 1 2 . OR rr_2md2 1
31 2 . 3 . rr_2md2 1
31 3 . . . rr_2md2 1
32 1 . . . rr_2md2 1
33 1 . . . rr_2md2 1
34 1 2 . OR rr_2md2 1
34 2 . 3 . rr_2md2 1
34 3 . . . rr_2md2 1
35 1 . . . rr_2md2 1
36 1 2 . OR rr_2md2 1
36 2 . 3 . rr_2md2 1
36 3 . . . rr_2md2 1
37 1 2 . OR rr_2md2 1
37 2 . 3 . rr_2md2 1
37 3 . . . rr_2md2 1
38 1 2 . OR rr_2md2 1
38 2 . 3 . rr_2md2 1
38 3 . . . rr_2md2 1
39 1 2 . OR rr_2md2 1
39 2 . 3 . rr_2md2 1
39 3 . . . rr_2md2 1
40 1 . . . rr_2md2 1
41 1 . . . rr_2md2 1
42 1 . . . rr_2md2 1
43 1 2 . OR rr_2md2 1
43 2 . 3 . rr_2md2 1
43 3 . . . rr_2md2 1
44 1 2 . OR rr_2md2 1
44 2 . 3 . rr_2md2 1
44 3 . . . rr_2md2 1
45 1 2 . OR rr_2md2 1
45 2 . 3 . rr_2md2 1
45 3 . . . rr_2md2 1
46 1 . . . rr_2md2 1
47 1 2 . OR rr_2md2 1
47 2 . 3 . rr_2md2 1
47 3 . . . rr_2md2 1
48 1 2 . OR rr_2md2 1
48 2 . 3 . rr_2md2 1
48 3 . . . rr_2md2 1
49 1 2 . OR rr_2md2 1
49 2 . 3 . rr_2md2 1
49 3 . . . rr_2md2 1
50 1 2 . OR rr_2md2 1
50 2 . 3 . rr_2md2 1
50 3 . . . rr_2md2 1
51 1 2 . OR rr_2md2 1
51 2 . 3 . rr_2md2 1
51 3 . . . rr_2md2 1
52 1 2 . OR rr_2md2 1
52 2 . 3 . rr_2md2 1
52 3 . . . rr_2md2 1
53 1 2 . OR rr_2md2 1
53 2 . 3 . rr_2md2 1
53 3 . . . rr_2md2 1
54 1 . . . rr_2md2 1
55 1 2 . OR rr_2md2 1
55 2 . 3 . rr_2md2 1
55 3 . . . rr_2md2 1
56 1 2 . OR rr_2md2 1
56 2 . 3 . rr_2md2 1
56 3 . . . rr_2md2 1
57 1 . . . rr_2md2 1
58 1 . . . rr_2md2 1
59 1 . . . rr_2md2 1
60 1 . . . rr_2md2 1
61 1 . . . rr_2md2 1
62 1 2 . OR rr_2md2 1
62 2 . 3 . rr_2md2 1
62 3 . . . rr_2md2 1
63 1 2 . OR rr_2md2 1
63 2 . 3 . rr_2md2 1
63 3 . . . rr_2md2 1
64 1 2 . OR rr_2md2 1
64 2 . 3 . rr_2md2 1
64 3 . . . rr_2md2 1
65 1 2 . OR rr_2md2 1
65 2 . 3 . rr_2md2 1
65 3 . . . rr_2md2 1
66 1 . . . rr_2md2 1
67 1 2 . OR rr_2md2 1
67 2 . 3 . rr_2md2 1
67 3 . . . rr_2md2 1
68 1 2 . OR rr_2md2 1
68 2 . 3 . rr_2md2 1
68 3 . . . rr_2md2 1
69 1 2 . OR rr_2md2 1
69 2 . 3 . rr_2md2 1
69 3 . . . rr_2md2 1
70 1 2 . OR rr_2md2 1
70 2 . 3 . rr_2md2 1
70 3 . . . rr_2md2 1
71 1 2 . OR rr_2md2 1
71 2 . 3 . rr_2md2 1
71 3 . . . rr_2md2 1
72 1 2 . OR rr_2md2 1
72 2 . 3 . rr_2md2 1
72 3 . . . rr_2md2 1
73 1 . . . rr_2md2 1
74 1 2 . OR rr_2md2 1
74 2 . 3 . rr_2md2 1
74 3 . . . rr_2md2 1
75 1 . . . rr_2md2 1
76 1 . . . rr_2md2 1
77 1 . . . rr_2md2 1
78 1 2 . OR rr_2md2 1
78 2 . 3 . rr_2md2 1
78 3 . . . rr_2md2 1
79 1 . . . rr_2md2 1
80 1 . . . rr_2md2 1
81 1 . . . rr_2md2 1
82 1 . . . rr_2md2 1
83 1 . . . rr_2md2 1
84 1 . . . rr_2md2 1
85 1 . . . rr_2md2 1
86 1 . . . rr_2md2 1
87 1 . . . rr_2md2 1
88 1 . . . rr_2md2 1
89 1 2 . OR rr_2md2 1
89 2 . 3 . rr_2md2 1
89 3 . . . rr_2md2 1
90 1 2 . OR rr_2md2 1
90 2 . 3 . rr_2md2 1
90 3 . . . rr_2md2 1
91 1 2 . OR rr_2md2 1
91 2 . 3 . rr_2md2 1
91 3 . . . rr_2md2 1
92 1 2 . OR rr_2md2 1
92 2 . 3 . rr_2md2 1
92 3 . . . rr_2md2 1
93 1 2 . OR rr_2md2 1
93 2 . 3 . rr_2md2 1
93 3 . . . rr_2md2 1
94 1 2 . OR rr_2md2 1
94 2 . 3 . rr_2md2 1
94 3 . . . rr_2md2 1
95 1 2 . OR rr_2md2 1
95 2 . 3 . rr_2md2 1
95 3 . . . rr_2md2 1
96 1 2 . OR rr_2md2 1
96 2 . 3 . rr_2md2 1
96 3 . . . rr_2md2 1
97 1 2 . OR rr_2md2 1
97 2 . 3 . rr_2md2 1
97 3 . . . rr_2md2 1
98 1 2 . OR rr_2md2 1
98 2 . 3 . rr_2md2 1
98 3 . . . rr_2md2 1
99 1 2 . OR rr_2md2 1
99 2 . 3 . rr_2md2 1
99 3 . . . rr_2md2 1
100 1 2 . OR rr_2md2 1
100 2 . 3 . rr_2md2 1
100 3 . . . rr_2md2 1
101 1 2 . OR rr_2md2 1
101 2 . 3 . rr_2md2 1
101 3 . . . rr_2md2 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 1 1 TRP HA H . . . . 1 TRP HA rr_2md2 1
1 1 . 2 . 1 1 2 2 LYS H H . . . . 2 LYS H rr_2md2 1
2 2 . 1 . 1 1 1 1 TRP HB2 H . . . . 1 TRP QB rr_2md2 1
2 2 . 2 . 1 1 1 1 TRP H1 H . . . . 1 TRP H rr_2md2 1
2 3 . 1 . 1 1 1 1 TRP HB3 H . . . . 1 TRP QB rr_2md2 1
2 3 . 2 . 1 1 1 1 TRP H1 H . . . . 1 TRP H rr_2md2 1
3 2 . 1 . 1 1 1 1 TRP HB2 H . . . . 1 TRP QB rr_2md2 1
3 2 . 2 . 1 1 2 2 LYS H H . . . . 2 LYS H rr_2md2 1
3 3 . 1 . 1 1 1 1 TRP HB3 H . . . . 1 TRP QB rr_2md2 1
3 3 . 2 . 1 1 2 2 LYS H H . . . . 2 LYS H rr_2md2 1
4 1 . 1 . 1 1 1 1 TRP HA H . . . . 1 TRP HA rr_2md2 1
4 1 . 2 . 1 1 3 3 LEU H H . . . . 3 LEU H rr_2md2 1
5 1 . 1 . 1 1 1 1 TRP HA H . . . . 1 TRP HA rr_2md2 1
5 1 . 2 . 1 1 4 4 LEU H H . . . . 4 LEU H rr_2md2 1
6 1 . 1 . 1 1 1 1 TRP HA H . . . . 1 TRP HA rr_2md2 1
6 1 . 2 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
7 2 . 1 . 1 1 1 1 TRP HB2 H . . . . 1 TRP QB rr_2md2 1
7 2 . 2 . 1 1 3 3 LEU H H . . . . 3 LEU H rr_2md2 1
7 3 . 1 . 1 1 1 1 TRP HB3 H . . . . 1 TRP QB rr_2md2 1
7 3 . 2 . 1 1 3 3 LEU H H . . . . 3 LEU H rr_2md2 1
8 2 . 1 . 1 1 1 1 TRP HB2 H . . . . 1 TRP QB rr_2md2 1
8 2 . 2 . 1 1 4 4 LEU H H . . . . 4 LEU H rr_2md2 1
8 3 . 1 . 1 1 1 1 TRP HB3 H . . . . 1 TRP QB rr_2md2 1
8 3 . 2 . 1 1 4 4 LEU H H . . . . 4 LEU H rr_2md2 1
9 2 . 1 . 1 1 1 1 TRP HB2 H . . . . 1 TRP QB rr_2md2 1
9 2 . 2 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
9 3 . 1 . 1 1 1 1 TRP HB3 H . . . . 1 TRP QB rr_2md2 1
9 3 . 2 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
10 2 . 1 . 1 1 2 2 LYS HB2 H . . . . 2 LYS QB rr_2md2 1
10 2 . 2 . 1 1 2 2 LYS H H . . . . 2 LYS H rr_2md2 1
10 3 . 1 . 1 1 2 2 LYS HB3 H . . . . 2 LYS QB rr_2md2 1
10 3 . 2 . 1 1 2 2 LYS H H . . . . 2 LYS H rr_2md2 1
11 2 . 1 . 1 1 2 2 LYS HD2 H . . . . 2 LYS QD rr_2md2 1
11 2 . 2 . 1 1 2 2 LYS H H . . . . 2 LYS H rr_2md2 1
11 3 . 1 . 1 1 2 2 LYS HD3 H . . . . 2 LYS QD rr_2md2 1
11 3 . 2 . 1 1 2 2 LYS H H . . . . 2 LYS H rr_2md2 1
12 2 . 1 . 1 1 2 2 LYS HG2 H . . . . 2 LYS QG rr_2md2 1
12 2 . 2 . 1 1 2 2 LYS H H . . . . 2 LYS H rr_2md2 1
12 3 . 1 . 1 1 2 2 LYS HG3 H . . . . 2 LYS QG rr_2md2 1
12 3 . 2 . 1 1 2 2 LYS H H . . . . 2 LYS H rr_2md2 1
13 1 . 1 . 1 1 2 2 LYS HA H . . . . 2 LYS HA rr_2md2 1
13 1 . 2 . 1 1 3 3 LEU H H . . . . 3 LEU H rr_2md2 1
14 1 . 1 . 1 1 2 2 LYS HA H . . . . 2 LYS HA rr_2md2 1
14 1 . 2 . 1 1 4 4 LEU H H . . . . 4 LEU H rr_2md2 1
15 1 . 1 . 1 1 2 2 LYS HA H . . . . 2 LYS HA rr_2md2 1
15 1 . 2 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
16 2 . 1 . 1 1 2 2 LYS HB2 H . . . . 2 LYS QB rr_2md2 1
16 2 . 2 . 1 1 3 3 LEU H H . . . . 3 LEU H rr_2md2 1
16 3 . 1 . 1 1 2 2 LYS HB3 H . . . . 2 LYS QB rr_2md2 1
16 3 . 2 . 1 1 3 3 LEU H H . . . . 3 LEU H rr_2md2 1
17 2 . 1 . 1 1 2 2 LYS HB2 H . . . . 2 LYS QB rr_2md2 1
17 2 . 2 . 1 1 4 4 LEU H H . . . . 4 LEU H rr_2md2 1
17 3 . 1 . 1 1 2 2 LYS HB3 H . . . . 2 LYS QB rr_2md2 1
17 3 . 2 . 1 1 4 4 LEU H H . . . . 4 LEU H rr_2md2 1
18 2 . 1 . 1 1 2 2 LYS HB2 H . . . . 2 LYS QB rr_2md2 1
18 2 . 2 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
18 3 . 1 . 1 1 2 2 LYS HB3 H . . . . 2 LYS QB rr_2md2 1
18 3 . 2 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
19 2 . 1 . 1 1 2 2 LYS HB2 H . . . . 2 LYS QB rr_2md2 1
19 2 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
19 3 . 1 . 1 1 2 2 LYS HB3 H . . . . 2 LYS QB rr_2md2 1
19 3 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
20 2 . 1 . 1 1 2 2 LYS HD2 H . . . . 2 LYS QD rr_2md2 1
20 2 . 2 . 1 1 3 3 LEU H H . . . . 3 LEU H rr_2md2 1
20 3 . 1 . 1 1 2 2 LYS HD3 H . . . . 2 LYS QD rr_2md2 1
20 3 . 2 . 1 1 3 3 LEU H H . . . . 3 LEU H rr_2md2 1
21 2 . 1 . 1 1 2 2 LYS HD2 H . . . . 2 LYS QD rr_2md2 1
21 2 . 2 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
21 3 . 1 . 1 1 2 2 LYS HD3 H . . . . 2 LYS QD rr_2md2 1
21 3 . 2 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
22 2 . 1 . 1 1 2 2 LYS HG2 H . . . . 2 LYS QG rr_2md2 1
22 2 . 2 . 1 1 3 3 LEU H H . . . . 3 LEU H rr_2md2 1
22 3 . 1 . 1 1 2 2 LYS HG3 H . . . . 2 LYS QG rr_2md2 1
22 3 . 2 . 1 1 3 3 LEU H H . . . . 3 LEU H rr_2md2 1
23 1 . 1 . 1 1 3 3 LEU HA H . . . . 3 LEU HA rr_2md2 1
23 1 . 2 . 1 1 4 4 LEU H H . . . . 4 LEU H rr_2md2 1
24 1 . 1 . 1 1 3 3 LEU HA H . . . . 3 LEU HA rr_2md2 1
24 1 . 2 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
25 1 . 1 . 1 1 3 3 LEU HA H . . . . 3 LEU HA rr_2md2 1
25 1 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
26 2 . 1 . 1 1 3 3 LEU HB2 H . . . . 3 LEU QB rr_2md2 1
26 2 . 2 . 1 1 3 3 LEU H H . . . . 3 LEU H rr_2md2 1
26 3 . 1 . 1 1 3 3 LEU HB3 H . . . . 3 LEU QB rr_2md2 1
26 3 . 2 . 1 1 3 3 LEU H H . . . . 3 LEU H rr_2md2 1
27 2 . 1 . 1 1 3 3 LEU HB2 H . . . . 3 LEU QB rr_2md2 1
27 2 . 2 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
27 3 . 1 . 1 1 3 3 LEU HB3 H . . . . 3 LEU QB rr_2md2 1
27 3 . 2 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
28 2 . 1 . 1 1 3 3 LEU MD1 H . . . . 3 LEU QQD rr_2md2 1
28 2 . 2 . 1 1 3 3 LEU H H . . . . 3 LEU H rr_2md2 1
28 3 . 1 . 1 1 3 3 LEU MD2 H . . . . 3 LEU QQD rr_2md2 1
28 3 . 2 . 1 1 3 3 LEU H H . . . . 3 LEU H rr_2md2 1
29 2 . 1 . 1 1 3 3 LEU MD1 H . . . . 3 LEU QQD rr_2md2 1
29 2 . 2 . 1 1 4 4 LEU H H . . . . 4 LEU H rr_2md2 1
29 3 . 1 . 1 1 3 3 LEU MD2 H . . . . 3 LEU QQD rr_2md2 1
29 3 . 2 . 1 1 4 4 LEU H H . . . . 4 LEU H rr_2md2 1
30 2 . 1 . 1 1 3 3 LEU MD1 H . . . . 3 LEU QQD rr_2md2 1
30 2 . 2 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
30 3 . 1 . 1 1 3 3 LEU MD2 H . . . . 3 LEU QQD rr_2md2 1
30 3 . 2 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
31 2 . 1 . 1 1 3 3 LEU MD1 H . . . . 3 LEU QQD rr_2md2 1
31 2 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
31 3 . 1 . 1 1 3 3 LEU MD2 H . . . . 3 LEU QQD rr_2md2 1
31 3 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
32 1 . 1 . 1 1 4 4 LEU HA H . . . . 4 LEU HA rr_2md2 1
32 1 . 2 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
33 1 . 1 . 1 1 4 4 LEU HA H . . . . 4 LEU HA rr_2md2 1
33 1 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
34 2 . 1 . 1 1 4 4 LEU HB2 H . . . . 4 LEU QB rr_2md2 1
34 2 . 2 . 1 1 4 4 LEU H H . . . . 4 LEU H rr_2md2 1
34 3 . 1 . 1 1 4 4 LEU HB3 H . . . . 4 LEU QB rr_2md2 1
34 3 . 2 . 1 1 4 4 LEU H H . . . . 4 LEU H rr_2md2 1
35 1 . 1 . 1 1 4 4 LEU HG H . . . . 4 LEU HG rr_2md2 1
35 1 . 2 . 1 1 4 4 LEU H H . . . . 4 LEU H rr_2md2 1
36 2 . 1 . 1 1 4 4 LEU MD1 H . . . . 4 LEU QQD rr_2md2 1
36 2 . 2 . 1 1 4 4 LEU H H . . . . 4 LEU H rr_2md2 1
36 3 . 1 . 1 1 4 4 LEU MD2 H . . . . 4 LEU QQD rr_2md2 1
36 3 . 2 . 1 1 4 4 LEU H H . . . . 4 LEU H rr_2md2 1
37 2 . 1 . 1 1 4 4 LEU MD1 H . . . . 4 LEU QQD rr_2md2 1
37 2 . 2 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
37 3 . 1 . 1 1 4 4 LEU MD2 H . . . . 4 LEU QQD rr_2md2 1
37 3 . 2 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
38 2 . 1 . 1 1 4 4 LEU MD1 H . . . . 4 LEU QQD rr_2md2 1
38 2 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
38 3 . 1 . 1 1 4 4 LEU MD2 H . . . . 4 LEU QQD rr_2md2 1
38 3 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
39 2 . 1 . 1 1 4 4 LEU MD1 H . . . . 4 LEU QQD rr_2md2 1
39 2 . 2 . 1 1 7 7 ALA H H . . . . 7 ALA H rr_2md2 1
39 3 . 1 . 1 1 4 4 LEU MD2 H . . . . 4 LEU QQD rr_2md2 1
39 3 . 2 . 1 1 7 7 ALA H H . . . . 7 ALA H rr_2md2 1
40 1 . 1 . 1 1 5 5 SER HA H . . . . 5 SER HA rr_2md2 1
40 1 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
41 1 . 1 . 1 1 5 5 SER HA H . . . . 5 SER HA rr_2md2 1
41 1 . 2 . 1 1 7 7 ALA H H . . . . 7 ALA H rr_2md2 1
42 1 . 1 . 1 1 5 5 SER HA H . . . . 5 SER HA rr_2md2 1
42 1 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2md2 1
43 2 . 1 . 1 1 5 5 SER HB2 H . . . . 5 SER QB rr_2md2 1
43 2 . 2 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
43 3 . 1 . 1 1 5 5 SER HB3 H . . . . 5 SER QB rr_2md2 1
43 3 . 2 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
44 2 . 1 . 1 1 5 5 SER HB2 H . . . . 5 SER QB rr_2md2 1
44 2 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
44 3 . 1 . 1 1 5 5 SER HB3 H . . . . 5 SER QB rr_2md2 1
44 3 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
45 2 . 1 . 1 1 5 5 SER HB2 H . . . . 5 SER QB rr_2md2 1
45 2 . 2 . 1 1 7 7 ALA H H . . . . 7 ALA H rr_2md2 1
45 3 . 1 . 1 1 5 5 SER HB3 H . . . . 5 SER QB rr_2md2 1
45 3 . 2 . 1 1 7 7 ALA H H . . . . 7 ALA H rr_2md2 1
46 1 . 1 . 1 1 6 6 LYS HA H . . . . 6 LYS HA rr_2md2 1
46 1 . 2 . 1 1 7 7 ALA H H . . . . 7 ALA H rr_2md2 1
47 2 . 1 . 1 1 6 6 LYS HB2 H . . . . 6 LYS QB rr_2md2 1
47 2 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
47 3 . 1 . 1 1 6 6 LYS HB3 H . . . . 6 LYS QB rr_2md2 1
47 3 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
48 2 . 1 . 1 1 6 6 LYS HD2 H . . . . 6 LYS QD rr_2md2 1
48 2 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
48 3 . 1 . 1 1 6 6 LYS HD3 H . . . . 6 LYS QD rr_2md2 1
48 3 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
49 2 . 1 . 1 1 6 6 LYS HG2 H . . . . 6 LYS QG rr_2md2 1
49 2 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
49 3 . 1 . 1 1 6 6 LYS HG3 H . . . . 6 LYS QG rr_2md2 1
49 3 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
50 2 . 1 . 1 1 6 6 LYS HE2 H . . . . 6 LYS QE rr_2md2 1
50 2 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
50 3 . 1 . 1 1 6 6 LYS HE3 H . . . . 6 LYS QE rr_2md2 1
50 3 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
51 2 . 1 . 1 1 6 6 LYS HB2 H . . . . 6 LYS QB rr_2md2 1
51 2 . 2 . 1 1 7 7 ALA H H . . . . 7 ALA H rr_2md2 1
51 3 . 1 . 1 1 6 6 LYS HB3 H . . . . 6 LYS QB rr_2md2 1
51 3 . 2 . 1 1 7 7 ALA H H . . . . 7 ALA H rr_2md2 1
52 2 . 1 . 1 1 6 6 LYS HG2 H . . . . 6 LYS QG rr_2md2 1
52 2 . 2 . 1 1 7 7 ALA H H . . . . 7 ALA H rr_2md2 1
52 3 . 1 . 1 1 6 6 LYS HG3 H . . . . 6 LYS QG rr_2md2 1
52 3 . 2 . 1 1 7 7 ALA H H . . . . 7 ALA H rr_2md2 1
53 2 . 1 . 1 1 6 6 LYS HB2 H . . . . 6 LYS QB rr_2md2 1
53 2 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2md2 1
53 3 . 1 . 1 1 6 6 LYS HB3 H . . . . 6 LYS QB rr_2md2 1
53 3 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2md2 1
54 1 . 1 . 1 1 6 6 LYS HA H . . . . 6 LYS HA rr_2md2 1
54 1 . 2 . 1 1 9 9 GLU H H . . . . 9 GLU H rr_2md2 1
55 2 . 1 . 1 1 6 6 LYS HG2 H . . . . 6 LYS QG rr_2md2 1
55 2 . 2 . 1 1 9 9 GLU H H . . . . 9 GLU H rr_2md2 1
55 3 . 1 . 1 1 6 6 LYS HG3 H . . . . 6 LYS QG rr_2md2 1
55 3 . 2 . 1 1 9 9 GLU H H . . . . 9 GLU H rr_2md2 1
56 2 . 1 . 1 1 6 6 LYS HB2 H . . . . 6 LYS QB rr_2md2 1
56 2 . 2 . 1 1 9 9 GLU H H . . . . 9 GLU H rr_2md2 1
56 3 . 1 . 1 1 6 6 LYS HB3 H . . . . 6 LYS QB rr_2md2 1
56 3 . 2 . 1 1 9 9 GLU H H . . . . 9 GLU H rr_2md2 1
57 1 . 1 . 1 1 7 7 ALA HA H . . . . 7 ALA HA rr_2md2 1
57 1 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2md2 1
58 1 . 1 . 1 1 7 7 ALA HA H . . . . 7 ALA HA rr_2md2 1
58 1 . 2 . 1 1 9 9 GLU H H . . . . 9 GLU H rr_2md2 1
59 1 . 1 . 1 1 7 7 ALA MB H . . . . 7 ALA QB rr_2md2 1
59 1 . 2 . 1 1 7 7 ALA H H . . . . 7 ALA H rr_2md2 1
60 1 . 1 . 1 1 7 7 ALA MB H . . . . 7 ALA QB rr_2md2 1
60 1 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2md2 1
61 1 . 1 . 1 1 8 8 GLN HA H . . . . 8 GLN HA rr_2md2 1
61 1 . 2 . 1 1 9 9 GLU H H . . . . 9 GLU H rr_2md2 1
62 2 . 1 . 1 1 8 8 GLN HB2 H . . . . 8 GLN QB rr_2md2 1
62 2 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2md2 1
62 3 . 1 . 1 1 8 8 GLN HB3 H . . . . 8 GLN QB rr_2md2 1
62 3 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2md2 1
63 2 . 1 . 1 1 8 8 GLN HB2 H . . . . 8 GLN QB rr_2md2 1
63 2 . 2 . 1 1 9 9 GLU H H . . . . 9 GLU H rr_2md2 1
63 3 . 1 . 1 1 8 8 GLN HB3 H . . . . 8 GLN QB rr_2md2 1
63 3 . 2 . 1 1 9 9 GLU H H . . . . 9 GLU H rr_2md2 1
64 2 . 1 . 1 1 8 8 GLN HG2 H . . . . 8 GLN QG rr_2md2 1
64 2 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2md2 1
64 3 . 1 . 1 1 8 8 GLN HG3 H . . . . 8 GLN QG rr_2md2 1
64 3 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2md2 1
65 2 . 1 . 1 1 8 8 GLN HG2 H . . . . 8 GLN QG rr_2md2 1
65 2 . 2 . 1 1 9 9 GLU H H . . . . 9 GLU H rr_2md2 1
65 3 . 1 . 1 1 8 8 GLN HG3 H . . . . 8 GLN QG rr_2md2 1
65 3 . 2 . 1 1 9 9 GLU H H . . . . 9 GLU H rr_2md2 1
66 1 . 1 . 1 1 9 9 GLU HA H . . . . 9 GLU HA rr_2md2 1
66 1 . 2 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_2md2 1
67 2 . 1 . 1 1 9 9 GLU HB2 H . . . . 9 GLU QB rr_2md2 1
67 2 . 2 . 1 1 9 9 GLU H H . . . . 9 GLU H rr_2md2 1
67 3 . 1 . 1 1 9 9 GLU HB3 H . . . . 9 GLU QB rr_2md2 1
67 3 . 2 . 1 1 9 9 GLU H H . . . . 9 GLU H rr_2md2 1
68 2 . 1 . 1 1 9 9 GLU HG2 H . . . . 9 GLU QG rr_2md2 1
68 2 . 2 . 1 1 9 9 GLU H H . . . . 9 GLU H rr_2md2 1
68 3 . 1 . 1 1 9 9 GLU HG3 H . . . . 9 GLU QG rr_2md2 1
68 3 . 2 . 1 1 9 9 GLU H H . . . . 9 GLU H rr_2md2 1
69 2 . 1 . 1 1 10 10 LYS HB2 H . . . . 10 LYS QB rr_2md2 1
69 2 . 2 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_2md2 1
69 3 . 1 . 1 1 10 10 LYS HB3 H . . . . 10 LYS QB rr_2md2 1
69 3 . 2 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_2md2 1
70 2 . 1 . 1 1 10 10 LYS HD2 H . . . . 10 LYS QD rr_2md2 1
70 2 . 2 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_2md2 1
70 3 . 1 . 1 1 10 10 LYS HD3 H . . . . 10 LYS QD rr_2md2 1
70 3 . 2 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_2md2 1
71 2 . 1 . 1 1 10 10 LYS HG2 H . . . . 10 LYS QG rr_2md2 1
71 2 . 2 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_2md2 1
71 3 . 1 . 1 1 10 10 LYS HG3 H . . . . 10 LYS QG rr_2md2 1
71 3 . 2 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_2md2 1
72 2 . 1 . 1 1 1 1 TRP HB2 H . . . . 1 TRP QB rr_2md2 1
72 2 . 2 . 1 1 1 1 TRP HE3 H . . . . 1 TRP HE3 rr_2md2 1
72 3 . 1 . 1 1 1 1 TRP HB3 H . . . . 1 TRP QB rr_2md2 1
72 3 . 2 . 1 1 1 1 TRP HE3 H . . . . 1 TRP HE3 rr_2md2 1
73 1 . 1 . 1 1 1 1 TRP HA H . . . . 1 TRP HA rr_2md2 1
73 1 . 2 . 1 1 1 1 TRP HD1 H . . . . 1 TRP HD1 rr_2md2 1
74 2 . 1 . 1 1 1 1 TRP HB2 H . . . . 1 TRP QB rr_2md2 1
74 2 . 2 . 1 1 1 1 TRP HD1 H . . . . 1 TRP HD1 rr_2md2 1
74 3 . 1 . 1 1 1 1 TRP HB3 H . . . . 1 TRP QB rr_2md2 1
74 3 . 2 . 1 1 1 1 TRP HD1 H . . . . 1 TRP HD1 rr_2md2 1
75 1 . 1 . 1 1 1 1 TRP HZ2 H . . . . 1 TRP HZ2 rr_2md2 1
75 1 . 2 . 1 1 1 1 TRP HE1 H . . . . 1 TRP HE1 rr_2md2 1
76 1 . 1 . 1 1 1 1 TRP HD1 H . . . . 1 TRP HD1 rr_2md2 1
76 1 . 2 . 1 1 1 1 TRP HE1 H . . . . 1 TRP HE1 rr_2md2 1
77 1 . 1 . 1 1 1 1 TRP HA H . . . . 1 TRP HA rr_2md2 1
77 1 . 2 . 1 1 1 1 TRP HE1 H . . . . 1 TRP HE1 rr_2md2 1
78 2 . 1 . 1 1 1 1 TRP HB2 H . . . . 1 TRP QB rr_2md2 1
78 2 . 2 . 1 1 1 1 TRP HE1 H . . . . 1 TRP HE1 rr_2md2 1
78 3 . 1 . 1 1 1 1 TRP HB3 H . . . . 1 TRP QB rr_2md2 1
78 3 . 2 . 1 1 1 1 TRP HE1 H . . . . 1 TRP HE1 rr_2md2 1
79 1 . 1 . 1 1 1 1 TRP HD1 H . . . . 1 TRP HD1 rr_2md2 1
79 1 . 2 . 1 1 2 2 LYS H H . . . . 2 LYS H rr_2md2 1
80 1 . 1 . 1 1 1 1 TRP H1 H . . . . 1 TRP H rr_2md2 1
80 1 . 2 . 1 1 2 2 LYS H H . . . . 2 LYS H rr_2md2 1
81 1 . 1 . 1 1 2 2 LYS H H . . . . 2 LYS H rr_2md2 1
81 1 . 2 . 1 1 3 3 LEU H H . . . . 3 LEU H rr_2md2 1
82 1 . 1 . 1 1 3 3 LEU H H . . . . 3 LEU H rr_2md2 1
82 1 . 2 . 1 1 4 4 LEU H H . . . . 4 LEU H rr_2md2 1
83 1 . 1 . 1 1 4 4 LEU H H . . . . 4 LEU H rr_2md2 1
83 1 . 2 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
84 1 . 1 . 1 1 5 5 SER H H . . . . 5 SER H rr_2md2 1
84 1 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
85 1 . 1 . 1 1 6 6 LYS H H . . . . 6 LYS H rr_2md2 1
85 1 . 2 . 1 1 7 7 ALA H H . . . . 7 ALA H rr_2md2 1
86 1 . 1 . 1 1 7 7 ALA H H . . . . 7 ALA H rr_2md2 1
86 1 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2md2 1
87 1 . 1 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2md2 1
87 1 . 2 . 1 1 9 9 GLU H H . . . . 9 GLU H rr_2md2 1
88 1 . 1 . 1 1 9 9 GLU H H . . . . 9 GLU H rr_2md2 1
88 1 . 2 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_2md2 1
89 2 . 1 . 1 1 3 3 LEU HB2 H . . . . 3 LEU QB rr_2md2 1
89 2 . 2 . 1 1 1 1 TRP HE1 H . . . . 1 TRP HE1 rr_2md2 1
89 3 . 1 . 1 1 3 3 LEU HB3 H . . . . 3 LEU QB rr_2md2 1
89 3 . 2 . 1 1 1 1 TRP HE1 H . . . . 1 TRP HE1 rr_2md2 1
90 2 . 1 . 1 1 1 1 TRP HE3 H . . . . 1 TRP HE3 rr_2md2 1
90 2 . 2 . 1 1 3 3 LEU MD1 H . . . . 3 LEU QQD rr_2md2 1
90 3 . 1 . 1 1 1 1 TRP HE3 H . . . . 1 TRP HE3 rr_2md2 1
90 3 . 2 . 1 1 3 3 LEU MD2 H . . . . 3 LEU QQD rr_2md2 1
91 2 . 1 . 1 1 1 1 TRP HE3 H . . . . 1 TRP HE3 rr_2md2 1
91 2 . 2 . 1 1 3 3 LEU HB2 H . . . . 3 LEU QB rr_2md2 1
91 3 . 1 . 1 1 1 1 TRP HE3 H . . . . 1 TRP HE3 rr_2md2 1
91 3 . 2 . 1 1 3 3 LEU HB3 H . . . . 3 LEU QB rr_2md2 1
92 2 . 1 . 1 1 1 1 TRP HZ3 H . . . . 1 TRP HZ3 rr_2md2 1
92 2 . 2 . 1 1 3 3 LEU HB2 H . . . . 3 LEU QB rr_2md2 1
92 3 . 1 . 1 1 1 1 TRP HZ3 H . . . . 1 TRP HZ3 rr_2md2 1
92 3 . 2 . 1 1 3 3 LEU HB3 H . . . . 3 LEU QB rr_2md2 1
93 2 . 1 . 1 1 1 1 TRP HZ3 H . . . . 1 TRP HZ3 rr_2md2 1
93 2 . 2 . 1 1 3 3 LEU HB2 H . . . . 3 LEU QB rr_2md2 1
93 3 . 1 . 1 1 1 1 TRP HZ3 H . . . . 1 TRP HZ3 rr_2md2 1
93 3 . 2 . 1 1 3 3 LEU HB3 H . . . . 3 LEU QB rr_2md2 1
94 2 . 1 . 1 1 1 1 TRP HZ3 H . . . . 1 TRP HZ3 rr_2md2 1
94 2 . 2 . 1 1 3 3 LEU MD1 H . . . . 3 LEU QQD rr_2md2 1
94 3 . 1 . 1 1 1 1 TRP HZ3 H . . . . 1 TRP HZ3 rr_2md2 1
94 3 . 2 . 1 1 3 3 LEU MD2 H . . . . 3 LEU QQD rr_2md2 1
95 2 . 1 . 1 1 1 1 TRP HH2 H . . . . 1 TRP HH2 rr_2md2 1
95 2 . 2 . 1 1 3 3 LEU HB2 H . . . . 3 LEU QB rr_2md2 1
95 3 . 1 . 1 1 1 1 TRP HH2 H . . . . 1 TRP HH2 rr_2md2 1
95 3 . 2 . 1 1 3 3 LEU HB3 H . . . . 3 LEU QB rr_2md2 1
96 2 . 1 . 1 1 1 1 TRP HH2 H . . . . 1 TRP HH2 rr_2md2 1
96 2 . 2 . 1 1 3 3 LEU MD1 H . . . . 3 LEU QQD rr_2md2 1
96 3 . 1 . 1 1 1 1 TRP HH2 H . . . . 1 TRP HH2 rr_2md2 1
96 3 . 2 . 1 1 3 3 LEU MD2 H . . . . 3 LEU QQD rr_2md2 1
97 2 . 1 . 1 1 1 1 TRP HD1 H . . . . 1 TRP HD1 rr_2md2 1
97 2 . 2 . 1 1 3 3 LEU HB2 H . . . . 3 LEU QB rr_2md2 1
97 3 . 1 . 1 1 1 1 TRP HD1 H . . . . 1 TRP HD1 rr_2md2 1
97 3 . 2 . 1 1 3 3 LEU HB3 H . . . . 3 LEU QB rr_2md2 1
98 2 . 1 . 1 1 1 1 TRP HD1 H . . . . 1 TRP HD1 rr_2md2 1
98 2 . 2 . 1 1 3 3 LEU MD1 H . . . . 3 LEU QQD rr_2md2 1
98 3 . 1 . 1 1 1 1 TRP HD1 H . . . . 1 TRP HD1 rr_2md2 1
98 3 . 2 . 1 1 3 3 LEU MD2 H . . . . 3 LEU QQD rr_2md2 1
99 2 . 1 . 1 1 1 1 TRP HD1 H . . . . 1 TRP HD1 rr_2md2 1
99 2 . 2 . 1 1 2 2 LYS HB2 H . . . . 2 LYS QB rr_2md2 1
99 3 . 1 . 1 1 1 1 TRP HD1 H . . . . 1 TRP HD1 rr_2md2 1
99 3 . 2 . 1 1 2 2 LYS HB3 H . . . . 2 LYS QB rr_2md2 1
100 2 . 1 . 1 1 1 1 TRP HZ2 H . . . . 1 TRP HZ2 rr_2md2 1
100 2 . 2 . 1 1 3 3 LEU MD1 H . . . . 3 LEU QQD rr_2md2 1
100 3 . 1 . 1 1 1 1 TRP HZ2 H . . . . 1 TRP HZ2 rr_2md2 1
100 3 . 2 . 1 1 3 3 LEU MD2 H . . . . 3 LEU QQD rr_2md2 1
101 2 . 1 . 1 1 1 1 TRP HZ2 H . . . . 1 TRP HZ2 rr_2md2 1
101 2 . 2 . 1 1 3 3 LEU HB2 H . . . . 3 LEU QB rr_2md2 1
101 3 . 1 . 1 1 1 1 TRP HZ2 H . . . . 1 TRP HZ2 rr_2md2 1
101 3 . 2 . 1 1 3 3 LEU HB3 H . . . . 3 LEU QB rr_2md2 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . . 3.3 rr_2md2 1
2 2 . . . . . . . . 3.5 rr_2md2 1
2 3 . . . . . . . . 3.5 rr_2md2 1
3 2 . . . . . . . . 3.3 rr_2md2 1
3 3 . . . . . . . . 3.3 rr_2md2 1
4 1 . . . . . . . . 4.4 rr_2md2 1
5 1 . . . . . . . . 4.0 rr_2md2 1
6 1 . . . . . . . . 4.4 rr_2md2 1
7 2 . . . . . . . . 4.1 rr_2md2 1
7 3 . . . . . . . . 4.1 rr_2md2 1
8 2 . . . . . . . . 4.6 rr_2md2 1
8 3 . . . . . . . . 4.6 rr_2md2 1
9 2 . . . . . . . . 4.9 rr_2md2 1
9 3 . . . . . . . . 4.9 rr_2md2 1
10 2 . . . . . . . . 3.8 rr_2md2 1
10 3 . . . . . . . . 3.8 rr_2md2 1
11 2 . . . . . . . . 3.8 rr_2md2 1
11 3 . . . . . . . . 3.8 rr_2md2 1
12 2 . . . . . . . . 3.8 rr_2md2 1
12 3 . . . . . . . . 3.8 rr_2md2 1
13 1 . . . . . . . . 4.4 rr_2md2 1
14 1 . . . . . . . . 3.6 rr_2md2 1
15 1 . . . . . . . . 4.2 rr_2md2 1
16 2 . . . . . . . . 4.1 rr_2md2 1
16 3 . . . . . . . . 4.1 rr_2md2 1
17 2 . . . . . . . . 4.2 rr_2md2 1
17 3 . . . . . . . . 4.2 rr_2md2 1
18 2 . . . . . . . . 4.7 rr_2md2 1
18 3 . . . . . . . . 4.7 rr_2md2 1
19 2 . . . . . . . . 4.4 rr_2md2 1
19 3 . . . . . . . . 4.4 rr_2md2 1
20 2 . . . . . . . . 4.4 rr_2md2 1
20 3 . . . . . . . . 4.4 rr_2md2 1
21 2 . . . . . . . . 4.6 rr_2md2 1
21 3 . . . . . . . . 4.6 rr_2md2 1
22 2 . . . . . . . . 4.6 rr_2md2 1
22 3 . . . . . . . . 4.6 rr_2md2 1
23 1 . . . . . . . . 3.3 rr_2md2 1
24 1 . . . . . . . . 4.4 rr_2md2 1
25 1 . . . . . . . . 3.6 rr_2md2 1
26 2 . . . . . . . . 3.8 rr_2md2 1
26 3 . . . . . . . . 3.8 rr_2md2 1
27 2 . . . . . . . . 4.7 rr_2md2 1
27 3 . . . . . . . . 4.7 rr_2md2 1
28 2 . . . . . . . . 3.8 rr_2md2 1
28 3 . . . . . . . . 3.8 rr_2md2 1
29 2 . . . . . . . . 4.2 rr_2md2 1
29 3 . . . . . . . . 4.2 rr_2md2 1
30 2 . . . . . . . . 4.5 rr_2md2 1
30 3 . . . . . . . . 4.5 rr_2md2 1
31 2 . . . . . . . . 4.4 rr_2md2 1
31 3 . . . . . . . . 4.4 rr_2md2 1
32 1 . . . . . . . . 3.3 rr_2md2 1
33 1 . . . . . . . . 4.2 rr_2md2 1
34 2 . . . . . . . . 3.8 rr_2md2 1
34 3 . . . . . . . . 3.8 rr_2md2 1
35 1 . . . . . . . . 4.4 rr_2md2 1
36 2 . . . . . . . . 3.8 rr_2md2 1
36 3 . . . . . . . . 3.8 rr_2md2 1
37 2 . . . . . . . . 4.0 rr_2md2 1
37 3 . . . . . . . . 4.0 rr_2md2 1
38 2 . . . . . . . . 4.4 rr_2md2 1
38 3 . . . . . . . . 4.4 rr_2md2 1
39 2 . . . . . . . . 4.4 rr_2md2 1
39 3 . . . . . . . . 4.4 rr_2md2 1
40 1 . . . . . . . . 3.3 rr_2md2 1
41 1 . . . . . . . . 4.4 rr_2md2 1
42 1 . . . . . . . . 3.4 rr_2md2 1
43 2 . . . . . . . . 3.3 rr_2md2 1
43 3 . . . . . . . . 3.3 rr_2md2 1
44 2 . . . . . . . . 3.8 rr_2md2 1
44 3 . . . . . . . . 3.8 rr_2md2 1
45 2 . . . . . . . . 4.4 rr_2md2 1
45 3 . . . . . . . . 4.4 rr_2md2 1
46 1 . . . . . . . . 3.3 rr_2md2 1
47 2 . . . . . . . . 3.8 rr_2md2 1
47 3 . . . . . . . . 3.8 rr_2md2 1
48 2 . . . . . . . . 3.8 rr_2md2 1
48 3 . . . . . . . . 3.8 rr_2md2 1
49 2 . . . . . . . . 4.0 rr_2md2 1
49 3 . . . . . . . . 4.0 rr_2md2 1
50 2 . . . . . . . . 4.8 rr_2md2 1
50 3 . . . . . . . . 4.8 rr_2md2 1
51 2 . . . . . . . . 4.6 rr_2md2 1
51 3 . . . . . . . . 4.6 rr_2md2 1
52 2 . . . . . . . . 4.8 rr_2md2 1
52 3 . . . . . . . . 4.8 rr_2md2 1
53 2 . . . . . . . . 4.6 rr_2md2 1
53 3 . . . . . . . . 4.6 rr_2md2 1
54 1 . . . . . . . . 3.4 rr_2md2 1
55 2 . . . . . . . . 4.2 rr_2md2 1
55 3 . . . . . . . . 4.2 rr_2md2 1
56 2 . . . . . . . . 4.4 rr_2md2 1
56 3 . . . . . . . . 4.4 rr_2md2 1
57 1 . . . . . . . . 3.3 rr_2md2 1
58 1 . . . . . . . . 4.4 rr_2md2 1
59 1 . . . . . . . . 3.3 rr_2md2 1
60 1 . . . . . . . . 4.4 rr_2md2 1
61 1 . . . . . . . . 3.3 rr_2md2 1
62 2 . . . . . . . . 3.3 rr_2md2 1
62 3 . . . . . . . . 3.3 rr_2md2 1
63 2 . . . . . . . . 3.8 rr_2md2 1
63 3 . . . . . . . . 3.8 rr_2md2 1
64 2 . . . . . . . . 3.8 rr_2md2 1
64 3 . . . . . . . . 3.8 rr_2md2 1
65 2 . . . . . . . . 4.0 rr_2md2 1
65 3 . . . . . . . . 4.0 rr_2md2 1
66 1 . . . . . . . . 3.8 rr_2md2 1
67 2 . . . . . . . . 3.8 rr_2md2 1
67 3 . . . . . . . . 3.8 rr_2md2 1
68 2 . . . . . . . . 4.1 rr_2md2 1
68 3 . . . . . . . . 4.1 rr_2md2 1
69 2 . . . . . . . . 4.0 rr_2md2 1
69 3 . . . . . . . . 4.0 rr_2md2 1
70 2 . . . . . . . . 4.0 rr_2md2 1
70 3 . . . . . . . . 4.0 rr_2md2 1
71 2 . . . . . . . . 4.0 rr_2md2 1
71 3 . . . . . . . . 4.0 rr_2md2 1
72 2 . . . . . . . . 4.0 rr_2md2 1
72 3 . . . . . . . . 4.0 rr_2md2 1
73 1 . . . . . . . . 4.2 rr_2md2 1
74 2 . . . . . . . . 4.0 rr_2md2 1
74 3 . . . . . . . . 4.0 rr_2md2 1
75 1 . . . . . . . . 4.0 rr_2md2 1
76 1 . . . . . . . . 4.0 rr_2md2 1
77 1 . . . . . . . . 4.9 rr_2md2 1
78 2 . . . . . . . . 4.4 rr_2md2 1
78 3 . . . . . . . . 4.4 rr_2md2 1
79 1 . . . . . . . . 3.2 rr_2md2 1
80 1 . . . . . . . . 3.8 rr_2md2 1
81 1 . . . . . . . . 2.8 rr_2md2 1
82 1 . . . . . . . . 3.8 rr_2md2 1
83 1 . . . . . . . . 2.8 rr_2md2 1
84 1 . . . . . . . . 2.8 rr_2md2 1
85 1 . . . . . . . . 2.8 rr_2md2 1
86 1 . . . . . . . . 2.8 rr_2md2 1
87 1 . . . . . . . . 2.8 rr_2md2 1
88 1 . . . . . . . . 2.8 rr_2md2 1
89 2 . . . . . . . . 4.0 rr_2md2 1
89 3 . . . . . . . . 4.0 rr_2md2 1
90 2 . . . . . . . . 3.8 rr_2md2 1
90 3 . . . . . . . . 3.8 rr_2md2 1
91 2 . . . . . . . . 3.8 rr_2md2 1
91 3 . . . . . . . . 3.8 rr_2md2 1
92 2 . . . . . . . . 4.0 rr_2md2 1
92 3 . . . . . . . . 4.0 rr_2md2 1
93 2 . . . . . . . . 4.0 rr_2md2 1
93 3 . . . . . . . . 4.0 rr_2md2 1
94 2 . . . . . . . . 4.0 rr_2md2 1
94 3 . . . . . . . . 4.0 rr_2md2 1
95 2 . . . . . . . . 3.8 rr_2md2 1
95 3 . . . . . . . . 3.8 rr_2md2 1
96 2 . . . . . . . . 3.8 rr_2md2 1
96 3 . . . . . . . . 3.8 rr_2md2 1
97 2 . . . . . . . . 4.5 rr_2md2 1
97 3 . . . . . . . . 4.5 rr_2md2 1
98 2 . . . . . . . . 4.0 rr_2md2 1
98 3 . . . . . . . . 4.0 rr_2md2 1
99 2 . . . . . . . . 3.8 rr_2md2 1
99 3 . . . . . . . . 3.8 rr_2md2 1
100 2 . . . . . . . . 3.8 rr_2md2 1
100 3 . . . . . . . . 3.8 rr_2md2 1
101 2 . . . . . . . . 4.0 rr_2md2 1
101 3 . . . . . . . . 4.0 rr_2md2 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Entry_ID rr_2md2
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_2md2 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 PHI . 1 1 1 1 TRP C C . . 1 1 2 2 LYS N N . . 1 1 2 2 LYS CA C . . 1 1 2 2 LYS C C . -120.0 -30.0 . . . A . 1 TRP C . . A . 2 LYS N . . A . 2 LYS CA . . A . 2 LYS C . . . 2 LYS . . . . . . 2 LYS . . . . . . 2 LYS . . . . . . 2 LYS . . . rr_2md2 1
2 PSI . 1 1 2 2 LYS N N . . 1 1 2 2 LYS CA C . . 1 1 2 2 LYS C C . . 1 1 3 3 LEU N N . -120.0 120.0 . . . A . 2 LYS N . . A . 2 LYS CA . . A . 2 LYS C . . A . 3 LEU N . . . 2 LYS . . . . . . 2 LYS . . . . . . 2 LYS . . . . . . 2 LYS . . . rr_2md2 1
3 PHI . 1 1 2 2 LYS C C . . 1 1 3 3 LEU N N . . 1 1 3 3 LEU CA C . . 1 1 3 3 LEU C C . -120.0 -30.0 . . . A . 2 LYS C . . A . 3 LEU N . . A . 3 LEU CA . . A . 3 LEU C . . . 3 LEU . . . . . . 3 LEU . . . . . . 3 LEU . . . . . . 3 LEU . . . rr_2md2 1
4 PSI . 1 1 3 3 LEU N N . . 1 1 3 3 LEU CA C . . 1 1 3 3 LEU C C . . 1 1 4 4 LEU N N . -120.0 120.0 . . . A . 3 LEU N . . A . 3 LEU CA . . A . 3 LEU C . . A . 4 LEU N . . . 3 LEU . . . . . . 3 LEU . . . . . . 3 LEU . . . . . . 3 LEU . . . rr_2md2 1
5 PHI . 1 1 3 3 LEU C C . . 1 1 4 4 LEU N N . . 1 1 4 4 LEU CA C . . 1 1 4 4 LEU C C . -120.0 -30.0 . . . A . 3 LEU C . . A . 4 LEU N . . A . 4 LEU CA . . A . 4 LEU C . . . 4 LEU . . . . . . 4 LEU . . . . . . 4 LEU . . . . . . 4 LEU . . . rr_2md2 1
6 PSI . 1 1 4 4 LEU N N . . 1 1 4 4 LEU CA C . . 1 1 4 4 LEU C C . . 1 1 5 5 SER N N . -120.0 120.0 . . . A . 4 LEU N . . A . 4 LEU CA . . A . 4 LEU C . . A . 5 SER N . . . 4 LEU . . . . . . 4 LEU . . . . . . 4 LEU . . . . . . 4 LEU . . . rr_2md2 1
7 PHI . 1 1 4 4 LEU C C . . 1 1 5 5 SER N N . . 1 1 5 5 SER CA C . . 1 1 5 5 SER C C . -120.0 -30.0 . . . A . 4 LEU C . . A . 5 SER N . . A . 5 SER CA . . A . 5 SER C . . . 5 SER . . . . . . 5 SER . . . . . . 5 SER . . . . . . 5 SER . . . rr_2md2 1
8 PSI . 1 1 5 5 SER N N . . 1 1 5 5 SER CA C . . 1 1 5 5 SER C C . . 1 1 6 6 LYS N N . -120.0 120.0 . . . A . 5 SER N . . A . 5 SER CA . . A . 5 SER C . . A . 6 LYS N . . . 5 SER . . . . . . 5 SER . . . . . . 5 SER . . . . . . 5 SER . . . rr_2md2 1
9 PHI . 1 1 5 5 SER C C . . 1 1 6 6 LYS N N . . 1 1 6 6 LYS CA C . . 1 1 6 6 LYS C C . -120.0 -30.0 . . . A . 5 SER C . . A . 6 LYS N . . A . 6 LYS CA . . A . 6 LYS C . . . 6 LYS . . . . . . 6 LYS . . . . . . 6 LYS . . . . . . 6 LYS . . . rr_2md2 1
10 PSI . 1 1 6 6 LYS N N . . 1 1 6 6 LYS CA C . . 1 1 6 6 LYS C C . . 1 1 7 7 ALA N N . -120.0 120.0 . . . A . 6 LYS N . . A . 6 LYS CA . . A . 6 LYS C . . A . 7 ALA N . . . 6 LYS . . . . . . 6 LYS . . . . . . 6 LYS . . . . . . 6 LYS . . . rr_2md2 1
11 PHI . 1 1 6 6 LYS C C . . 1 1 7 7 ALA N N . . 1 1 7 7 ALA CA C . . 1 1 7 7 ALA C C . -120.0 -30.0 . . . A . 6 LYS C . . A . 7 ALA N . . A . 7 ALA CA . . A . 7 ALA C . . . 7 ALA . . . . . . 7 ALA . . . . . . 7 ALA . . . . . . 7 ALA . . . rr_2md2 1
12 PSI . 1 1 7 7 ALA N N . . 1 1 7 7 ALA CA C . . 1 1 7 7 ALA C C . . 1 1 8 8 GLN N N . -120.0 120.0 . . . A . 7 ALA N . . A . 7 ALA CA . . A . 7 ALA C . . A . 8 GLN N . . . 7 ALA . . . . . . 7 ALA . . . . . . 7 ALA . . . . . . 7 ALA . . . rr_2md2 1
13 PHI . 1 1 7 7 ALA C C . . 1 1 8 8 GLN N N . . 1 1 8 8 GLN CA C . . 1 1 8 8 GLN C C . -120.0 -30.0 . . . A . 7 ALA C . . A . 8 GLN N . . A . 8 GLN CA . . A . 8 GLN C . . . 8 GLN . . . . . . 8 GLN . . . . . . 8 GLN . . . . . . 8 GLN . . . rr_2md2 1
14 PSI . 1 1 8 8 GLN N N . . 1 1 8 8 GLN CA C . . 1 1 8 8 GLN C C . . 1 1 9 9 GLU N N . -120.0 120.0 . . . A . 8 GLN N . . A . 8 GLN CA . . A . 8 GLN C . . A . 9 GLU N . . . 8 GLN . . . . . . 8 GLN . . . . . . 8 GLN . . . . . . 8 GLN . . . rr_2md2 1
15 PHI . 1 1 8 8 GLN C C . . 1 1 9 9 GLU N N . . 1 1 9 9 GLU CA C . . 1 1 9 9 GLU C C . -120.0 -30.0 . . . A . 8 GLN C . . A . 9 GLU N . . A . 9 GLU CA . . A . 9 GLU C . . . 9 GLU . . . . . . 9 GLU . . . . . . 9 GLU . . . . . . 9 GLU . . . rr_2md2 1
16 PSI . 1 1 9 9 GLU N N . . 1 1 9 9 GLU CA C . . 1 1 9 9 GLU C C . . 1 1 10 10 LYS N N . -120.0 120.0 . . . A . 9 GLU N . . A . 9 GLU CA . . A . 9 GLU C . . A . 10 LYS N . . . 9 GLU . . . . . . 9 GLU . . . . . . 9 GLU . . . . . . 9 GLU . . . rr_2md2 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "Torsion angle constraints" 1 1 1 28 rr_2md2 1
2 "generated from HA secondary chemical shifts" 2 1 2 48 rr_2md2 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_2md2
_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 ANTIMICROBIAL PROTEIN 29-AUG-13 2MD2 *TITLE FRAGMENT BASED APPROACH AND BINDING BEHAVIOR OF LFAMPINB WITH *TITLE 2 LIPOPOLYSACCHARIDE: BIOPHYSICAL ASPECTS *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: LACTOTRANSFERRIN; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: LACTOFERRIN, LACTOFERRICIN-B, LFCIN-B; *COMPND 5 EC: 3.4.21.-; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: BOS TAURUS; *SOURCE 4 ORGANISM_COMMON: BOVINE,COW,DOMESTIC CATTLE,DOMESTIC COW; *SOURCE 5 ORGANISM_TAXID: 9913; *SOURCE 6 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. *KEYWDS ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR A.BHUNIA, S.CHATTERJEE, A.GHOSH, J.JANA *REVDAT 1 25-SEP-13 2MD2 0"
save_
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