NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
514125 |
2lda   |
17657 | cing | 3-converted-DOCR | STAR | entry | full | 278 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_2lda
# This DOCR archive file contains, for PDB entry <2lda>:
#
# - 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_2lda
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2lda"
_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 2lda"
_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 2lda "Master copy" rr_2lda
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2lda
_Assembly.ID 1
_Assembly.Name 2lda
_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 1398.6238
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 "Estrogen receptor binding stapled peptide SP2" 1 $Estrogen_receptor_binding_stapled_peptide_SP2 A . no . . . . . . rr_2lda 1
stop_
save_
save_Estrogen_receptor_binding_stapled_peptide_SP2
_Entity.Sf_category entity
_Entity.Sf_framecode Estrogen_receptor_binding_stapled_peptide_SP2
_Entity.Entry_ID rr_2lda
_Entity.ID 1
_Entity.Name Estrogen_receptor_binding_stapled_peptide_SP2
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code XHKXLHQXLQDSX
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Number_of_monomers 13
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 1398.6238
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 . ACE . rr_2lda 1
2 . HIS . rr_2lda 1
3 . LYS . rr_2lda 1
4 . . . rr_2lda 1
5 . LEU . rr_2lda 1
6 . HIS . rr_2lda 1
7 . GLN . rr_2lda 1
8 . . . rr_2lda 1
9 . LEU . rr_2lda 1
10 . GLN . rr_2lda 1
11 . ASP . rr_2lda 1
12 . SER . rr_2lda 1
13 . NH2 . rr_2lda 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
. ACE 1 1 rr_2lda 1
. HIS 2 2 rr_2lda 1
. LYS 3 3 rr_2lda 1
. . 4 4 rr_2lda 1
. LEU 5 5 rr_2lda 1
. HIS 6 6 rr_2lda 1
. GLN 7 7 rr_2lda 1
. . 8 8 rr_2lda 1
. LEU 9 9 rr_2lda 1
. GLN 10 10 rr_2lda 1
. ASP 11 11 rr_2lda 1
. SER 12 12 rr_2lda 1
. NH2 13 13 rr_2lda 1
stop_
save_
save_chem_comp_ACE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ACE
_Chem_comp.Entry_ID rr_2lda
_Chem_comp.ID ACE
_Chem_comp.Name "ACETYL GROUP"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code ACE
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C2 H3 O"
_Chem_comp.Formula_weight 43.0451
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
acetaldehyde name rr_2lda ACE
stop_
save_
save_chem_comp_MK8
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_MK8
_Chem_comp.Entry_ID rr_2lda
_Chem_comp.ID 1
_Chem_comp.Name Mk8
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C7 H11 N O"
_Chem_comp.Formula_weight 125.17
save_
save_chem_comp_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_NH2
_Chem_comp.Entry_ID rr_2lda
_Chem_comp.ID NH2
_Chem_comp.Name "AMINO GROUP"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code NH2
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "H2 N"
_Chem_comp.Formula_weight 16.0225
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_2lda
_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_2lda
_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_2lda 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_2lda 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 ACE C C 5.305 5.315 3.608 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . rr_2lda 1
. 1 . 2 . 1 1 1 ACE CH3 C 6.587 5.077 4.382 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . rr_2lda 1
. 1 . 3 . 1 1 1 ACE H1 H 6.859 5.976 4.915 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . rr_2lda 1
. 1 . 4 . 1 1 1 ACE H2 H 7.377 4.812 3.696 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . rr_2lda 1
. 1 . 5 . 1 1 1 ACE H3 H 6.437 4.272 5.087 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . rr_2lda 1
. 1 . 6 . 1 1 1 ACE O O 4.232 4.864 4.050 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . rr_2lda 1
. 1 . 7 . 1 1 2 HIS C C 3.893 5.186 0.693 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2lda 1
. 1 . 8 . 1 1 2 HIS CA C 4.323 6.398 1.546 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2lda 1
. 1 . 9 . 1 1 2 HIS CB C 4.728 7.594 0.650 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2lda 1
. 1 . 10 . 1 1 2 HIS CD2 C 3.330 8.468 -1.364 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2lda 1
. 1 . 11 . 1 1 2 HIS CE1 C 1.684 9.384 -0.243 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2lda 1
. 1 . 12 . 1 1 2 HIS CG C 3.582 8.282 -0.046 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2lda 1
. 1 . 13 . 1 1 2 HIS H H 6.342 6.360 2.206 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H . . . . . . . . . rr_2lda 1
. 1 . 14 . 1 1 2 HIS HA H 3.489 6.698 2.165 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2lda 1
. 1 . 15 . 1 1 2 HIS HB2 H 5.227 8.333 1.259 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2lda 1
. 1 . 16 . 1 1 2 HIS HB3 H 5.414 7.250 -0.109 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2lda 1
. 1 . 17 . 1 1 2 HIS HD1 H 2.425 8.898 1.602 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2lda 1
. 1 . 18 . 1 1 2 HIS HD2 H 3.946 8.136 -2.189 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2lda 1
. 1 . 19 . 1 1 2 HIS HE1 H 0.771 9.908 -0.002 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2lda 1
. 1 . 20 . 1 1 2 HIS HE2 H 1.736 9.475 -2.289 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2lda 1
. 1 . 21 . 1 1 2 HIS N N 5.443 6.045 2.445 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2lda 1
. 1 . 22 . 1 1 2 HIS ND1 N 2.533 8.868 0.629 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2lda 1
. 1 . 23 . 1 1 2 HIS NE2 N 2.145 9.155 -1.458 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2lda 1
. 1 . 24 . 1 1 2 HIS O O 2.706 5.103 0.321 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2lda 1
. 1 . 25 . 1 1 3 LYS C C 3.839 1.989 0.262 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2lda 1
. 1 . 26 . 1 1 3 LYS CA C 4.669 3.055 -0.439 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2lda 1
. 1 . 27 . 1 1 3 LYS CB C 5.989 2.421 -0.896 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2lda 1
. 1 . 28 . 1 1 3 LYS CD C 7.961 2.460 -2.441 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2lda 1
. 1 . 29 . 1 1 3 LYS CE C 8.757 3.266 -3.459 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2lda 1
. 1 . 30 . 1 1 3 LYS CG C 6.736 3.217 -1.951 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2lda 1
. 1 . 31 . 1 1 3 LYS H H 5.787 4.444 0.729 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2lda 1
. 1 . 32 . 1 1 3 LYS HA H 4.125 3.368 -1.317 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2lda 1
. 1 . 33 . 1 1 3 LYS HB2 H 6.636 2.296 -0.045 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2lda 1
. 1 . 34 . 1 1 3 LYS HB3 H 5.772 1.446 -1.308 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2lda 1
. 1 . 35 . 1 1 3 LYS HD2 H 8.595 2.240 -1.596 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2lda 1
. 1 . 36 . 1 1 3 LYS HD3 H 7.638 1.536 -2.900 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2lda 1
. 1 . 37 . 1 1 3 LYS HE2 H 9.070 4.193 -3.001 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2lda 1
. 1 . 38 . 1 1 3 LYS HE3 H 9.630 2.696 -3.744 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2lda 1
. 1 . 39 . 1 1 3 LYS HG2 H 6.077 3.395 -2.789 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2lda 1
. 1 . 40 . 1 1 3 LYS HG3 H 7.052 4.158 -1.534 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2lda 1
. 1 . 41 . 1 1 3 LYS HZ1 H 8.431 3.188 -5.523 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2lda 1
. 1 . 42 . 1 1 3 LYS HZ2 H 7.860 4.603 -4.793 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2lda 1
. 1 . 43 . 1 1 3 LYS HZ3 H 7.011 3.153 -4.603 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2lda 1
. 1 . 44 . 1 1 3 LYS N N 4.887 4.272 0.388 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2lda 1
. 1 . 45 . 1 1 3 LYS NZ N 7.959 3.574 -4.681 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2lda 1
. 1 . 46 . 1 1 3 LYS O O 2.889 1.459 -0.334 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2lda 1
. 1 . 47 . 1 1 4 . C C 2.001 0.633 2.254 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 C . . . . . . . . . rr_2lda 1
. 1 . 48 . 1 1 4 . CA C 3.577 0.533 2.375 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CA . . . . . . . . . rr_2lda 1
. 1 . 49 . 1 1 4 . CB C 4.034 0.705 3.887 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB . . . . . . . . . rr_2lda 1
. 1 . 50 . 1 1 4 . CB1 C 4.157 -0.802 1.808 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB1 . . . . . . . . . rr_2lda 1
. 1 . 51 . 1 1 4 . CD C 2.023 0.196 5.428 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CD . . . . . . . . . rr_2lda 1
. 1 . 52 . 1 1 4 . CE C 1.154 -0.812 6.250 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CE . . . . . . . . . rr_2lda 1
. 1 . 53 . 1 1 4 . CG C 3.423 -0.224 5.000 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CG . . . . . . . . . rr_2lda 1
. 1 . 54 . 1 1 4 . HB H 3.824 1.727 4.174 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB . . . . . . . . . rr_2lda 1
. 1 . 55 . 1 1 4 . HB1 H 4.427 -0.664 0.771 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1 . . . . . . . . . rr_2lda 1
. 1 . 56 . 1 1 4 . HB1A H 3.417 -1.582 1.888 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1A . . . . . . . . . rr_2lda 1
. 1 . 57 . 1 1 4 . HB1B H 5.035 -1.079 2.375 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1B . . . . . . . . . rr_2lda 1
. 1 . 58 . 1 1 4 . HBA H 5.102 0.570 3.922 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HBA . . . . . . . . . rr_2lda 1
. 1 . 59 . 1 1 4 . HD H 1.479 0.451 4.531 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HD . . . . . . . . . rr_2lda 1
. 1 . 60 . 1 1 4 . HDA H 2.124 1.088 6.022 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HDA . . . . . . . . . rr_2lda 1
. 1 . 61 . 1 1 4 . HE H 1.311 -0.817 7.320 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HE . . . . . . . . . rr_2lda 1
. 1 . 62 . 1 1 4 . HG H 4.077 -0.201 5.862 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HG . . . . . . . . . rr_2lda 1
. 1 . 63 . 1 1 4 . HGA H 3.375 -1.232 4.619 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HGA . . . . . . . . . rr_2lda 1
. 1 . 64 . 1 1 4 . HN H 5.018 2.052 1.930 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HN . . . . . . . . . rr_2lda 1
. 1 . 65 . 1 1 4 . N N 4.234 1.616 1.549 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 N . . . . . . . . . rr_2lda 1
. 1 . 66 . 1 1 4 . O O 1.285 -0.393 2.287 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 O . . . . . . . . . rr_2lda 1
. 1 . 67 . 1 1 5 LEU C C -0.504 1.705 0.678 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2lda 1
. 1 . 68 . 1 1 5 LEU CA C 0.068 2.262 1.978 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2lda 1
. 1 . 69 . 1 1 5 LEU CB C -0.197 3.809 2.051 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2lda 1
. 1 . 70 . 1 1 5 LEU CD1 C -2.829 3.905 1.860 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2lda 1
. 1 . 71 . 1 1 5 LEU CD2 C -1.746 4.086 4.120 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2lda 1
. 1 . 72 . 1 1 5 LEU CG C -1.573 4.367 2.623 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2lda 1
. 1 . 73 . 1 1 5 LEU H H 2.159 2.671 2.081 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2lda 1
. 1 . 74 . 1 1 5 LEU HA H -0.443 1.787 2.798 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2lda 1
. 1 . 75 . 1 1 5 LEU HB2 H 0.588 4.240 2.651 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2lda 1
. 1 . 76 . 1 1 5 LEU HB3 H -0.087 4.196 1.048 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2lda 1
. 1 . 77 . 1 1 5 LEU HD11 H -3.658 4.551 2.107 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2lda 1
. 1 . 78 . 1 1 5 LEU HD12 H -3.066 2.890 2.147 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2lda 1
. 1 . 79 . 1 1 5 LEU HD13 H -2.640 3.944 0.800 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2lda 1
. 1 . 80 . 1 1 5 LEU HD21 H -2.449 3.275 4.254 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2lda 1
. 1 . 81 . 1 1 5 LEU HD22 H -2.125 4.972 4.610 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2lda 1
. 1 . 82 . 1 1 5 LEU HD23 H -0.795 3.815 4.550 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2lda 1
. 1 . 83 . 1 1 5 LEU HG H -1.543 5.443 2.518 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2lda 1
. 1 . 84 . 1 1 5 LEU N N 1.511 1.931 2.105 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2lda 1
. 1 . 85 . 1 1 5 LEU O O -1.522 0.991 0.722 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2lda 1
. 1 . 86 . 1 1 6 HIS C C -0.389 0.048 -1.881 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . rr_2lda 1
. 1 . 87 . 1 1 6 HIS CA C -0.212 1.575 -1.845 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . rr_2lda 1
. 1 . 88 . 1 1 6 HIS CB C 0.844 1.989 -2.871 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . rr_2lda 1
. 1 . 89 . 1 1 6 HIS CD2 C 0.646 4.138 -4.320 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . rr_2lda 1
. 1 . 90 . 1 1 6 HIS CE1 C 1.014 5.616 -2.743 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . rr_2lda 1
. 1 . 91 . 1 1 6 HIS CG C 0.848 3.458 -3.163 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . rr_2lda 1
. 1 . 92 . 1 1 6 HIS H H 0.983 2.604 -0.411 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . rr_2lda 1
. 1 . 93 . 1 1 6 HIS HA H -1.147 2.054 -2.105 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . rr_2lda 1
. 1 . 94 . 1 1 6 HIS HB2 H 1.821 1.723 -2.497 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . rr_2lda 1
. 1 . 95 . 1 1 6 HIS HB3 H 0.660 1.464 -3.796 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . rr_2lda 1
. 1 . 96 . 1 1 6 HIS HD1 H 1.259 4.237 -1.250 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . rr_2lda 1
. 1 . 97 . 1 1 6 HIS HD2 H 0.435 3.709 -5.291 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . rr_2lda 1
. 1 . 98 . 1 1 6 HIS HE1 H 1.153 6.554 -2.226 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . rr_2lda 1
. 1 . 99 . 1 1 6 HIS HE2 H 0.710 6.206 -4.681 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . rr_2lda 1
. 1 . 100 . 1 1 6 HIS N N 0.182 2.036 -0.486 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . rr_2lda 1
. 1 . 101 . 1 1 6 HIS ND1 N 1.077 4.414 -2.196 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . rr_2lda 1
. 1 . 102 . 1 1 6 HIS NE2 N 0.755 5.475 -4.029 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . rr_2lda 1
. 1 . 103 . 1 1 6 HIS O O -1.198 -0.469 -2.670 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . rr_2lda 1
. 1 . 104 . 1 1 7 GLN C C -0.789 -2.740 -0.245 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2lda 1
. 1 . 105 . 1 1 7 GLN CA C 0.462 -2.117 -0.884 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2lda 1
. 1 . 106 . 1 1 7 GLN CB C 1.710 -2.587 -0.117 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2lda 1
. 1 . 107 . 1 1 7 GLN CD C 2.893 -3.933 -1.930 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2lda 1
. 1 . 108 . 1 1 7 GLN CG C 2.968 -2.753 -0.976 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2lda 1
. 1 . 109 . 1 1 7 GLN H H 1.048 -0.111 -0.465 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2lda 1
. 1 . 110 . 1 1 7 GLN HA H 0.536 -2.505 -1.890 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2lda 1
. 1 . 111 . 1 1 7 GLN HB2 H 1.929 -1.876 0.660 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2lda 1
. 1 . 112 . 1 1 7 GLN HB3 H 1.490 -3.539 0.341 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2lda 1
. 1 . 113 . 1 1 7 GLN HE21 H 4.515 -4.738 -1.110 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2lda 1
. 1 . 114 . 1 1 7 GLN HE22 H 3.804 -5.629 -2.404 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2lda 1
. 1 . 115 . 1 1 7 GLN HG2 H 3.117 -1.860 -1.557 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2lda 1
. 1 . 116 . 1 1 7 GLN HG3 H 3.814 -2.896 -0.321 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2lda 1
. 1 . 117 . 1 1 7 GLN N N 0.428 -0.640 -1.010 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2lda 1
. 1 . 118 . 1 1 7 GLN NE2 N 3.832 -4.860 -1.802 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2lda 1
. 1 . 119 . 1 1 7 GLN O O -1.435 -3.569 -0.909 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2lda 1
. 1 . 120 . 1 1 7 GLN OE1 O 2.002 -4.005 -2.776 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2lda 1
. 1 . 121 . 1 1 8 . C C -3.580 -2.948 0.972 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 C . . . . . . . . . rr_2lda 1
. 1 . 122 . 1 1 8 . CA C -2.273 -2.967 1.845 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CA . . . . . . . . . rr_2lda 1
. 1 . 123 . 1 1 8 . CB C -2.598 -2.192 3.173 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB . . . . . . . . . rr_2lda 1
. 1 . 124 . 1 1 8 . CB1 C -1.879 -4.388 2.283 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB1 . . . . . . . . . rr_2lda 1
. 1 . 125 . 1 1 8 . CD C -0.252 -1.935 4.298 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CD . . . . . . . . . rr_2lda 1
. 1 . 126 . 1 1 8 . CE C 0.199 -1.705 5.773 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CE . . . . . . . . . rr_2lda 1
. 1 . 127 . 1 1 8 . CG C -1.538 -1.250 3.813 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CG . . . . . . . . . rr_2lda 1
. 1 . 128 . 1 1 8 . HB H -2.859 -2.932 3.918 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB . . . . . . . . . rr_2lda 1
. 1 . 129 . 1 1 8 . HB1 H -2.323 -5.106 1.613 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1 . . . . . . . . . rr_2lda 1
. 1 . 130 . 1 1 8 . HB1A H -2.233 -4.564 3.289 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1A . . . . . . . . . rr_2lda 1
. 1 . 131 . 1 1 8 . HB1B H -0.804 -4.485 2.259 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1B . . . . . . . . . rr_2lda 1
. 1 . 132 . 1 1 8 . HBA H -3.475 -1.591 2.996 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HBA . . . . . . . . . rr_2lda 1
. 1 . 133 . 1 1 8 . HD H 0.551 -1.602 3.651 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HD . . . . . . . . . rr_2lda 1
. 1 . 134 . 1 1 8 . HDA H -0.373 -2.993 4.157 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HDA . . . . . . . . . rr_2lda 1
. 1 . 135 . 1 1 8 . HE H -0.291 -2.314 6.515 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HE . . . . . . . . . rr_2lda 1
. 1 . 136 . 1 1 8 . HG H -2.004 -0.771 4.663 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HG . . . . . . . . . rr_2lda 1
. 1 . 137 . 1 1 8 . HGA H -1.272 -0.502 3.100 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HGA . . . . . . . . . rr_2lda 1
. 1 . 138 . 1 1 8 . HN H -0.533 -1.754 1.556 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HN . . . . . . . . . rr_2lda 1
. 1 . 139 . 1 1 8 . N N -1.108 -2.387 1.075 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 N . . . . . . . . . rr_2lda 1
. 1 . 140 . 1 1 8 . O O -4.535 -3.723 1.215 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 O . . . . . . . . . rr_2lda 1
. 1 . 141 . 1 1 9 LEU C C -5.041 -2.932 -1.871 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_2lda 1
. 1 . 142 . 1 1 9 LEU CA C -4.743 -1.743 -0.944 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_2lda 1
. 1 . 143 . 1 1 9 LEU CB C -4.497 -0.463 -1.819 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_2lda 1
. 1 . 144 . 1 1 9 LEU CD1 C -6.836 -0.188 -3.017 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_2lda 1
. 1 . 145 . 1 1 9 LEU CD2 C -6.263 1.238 -1.011 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_2lda 1
. 1 . 146 . 1 1 9 LEU CG C -5.699 0.488 -2.221 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_2lda 1
. 1 . 147 . 1 1 9 LEU H H -2.823 -1.400 -0.099 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_2lda 1
. 1 . 148 . 1 1 9 LEU HA H -5.616 -1.570 -0.332 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_2lda 1
. 1 . 149 . 1 1 9 LEU HB2 H -3.785 0.149 -1.291 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_2lda 1
. 1 . 150 . 1 1 9 LEU HB3 H -4.027 -0.792 -2.735 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_2lda 1
. 1 . 151 . 1 1 9 LEU HD11 H -6.900 0.252 -4.001 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_2lda 1
. 1 . 152 . 1 1 9 LEU HD12 H -7.772 -0.046 -2.498 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_2lda 1
. 1 . 153 . 1 1 9 LEU HD13 H -6.632 -1.245 -3.107 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_2lda 1
. 1 . 154 . 1 1 9 LEU HD21 H -7.264 0.890 -0.806 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_2lda 1
. 1 . 155 . 1 1 9 LEU HD22 H -6.286 2.296 -1.224 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_2lda 1
. 1 . 156 . 1 1 9 LEU HD23 H -5.635 1.057 -0.151 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_2lda 1
. 1 . 157 . 1 1 9 LEU HG H -5.293 1.243 -2.879 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_2lda 1
. 1 . 158 . 1 1 9 LEU N N -3.600 -1.984 -0.020 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_2lda 1
. 1 . 159 . 1 1 9 LEU O O -6.229 -3.227 -2.107 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_2lda 1
. 1 . 160 . 1 1 10 GLN C C -4.284 -6.054 -2.686 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . rr_2lda 1
. 1 . 161 . 1 1 10 GLN CA C -4.035 -4.710 -3.376 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . rr_2lda 1
. 1 . 162 . 1 1 10 GLN CB C -2.768 -4.804 -4.252 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . rr_2lda 1
. 1 . 163 . 1 1 10 GLN CD C -3.630 -3.759 -6.418 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . rr_2lda 1
. 1 . 164 . 1 1 10 GLN CG C -2.614 -3.686 -5.284 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . rr_2lda 1
. 1 . 165 . 1 1 10 GLN H H -3.053 -3.238 -2.189 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . rr_2lda 1
. 1 . 166 . 1 1 10 GLN HA H -4.876 -4.511 -4.022 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . rr_2lda 1
. 1 . 167 . 1 1 10 GLN HB2 H -1.900 -4.783 -3.613 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . rr_2lda 1
. 1 . 168 . 1 1 10 GLN HB3 H -2.784 -5.747 -4.780 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . rr_2lda 1
. 1 . 169 . 1 1 10 GLN HE21 H -2.165 -3.770 -7.768 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . rr_2lda 1
. 1 . 170 . 1 1 10 GLN HE22 H -3.771 -3.838 -8.405 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . rr_2lda 1
. 1 . 171 . 1 1 10 GLN HG2 H -2.727 -2.737 -4.786 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . rr_2lda 1
. 1 . 172 . 1 1 10 GLN HG3 H -1.622 -3.748 -5.710 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . rr_2lda 1
. 1 . 173 . 1 1 10 GLN N N -3.942 -3.573 -2.420 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . rr_2lda 1
. 1 . 174 . 1 1 10 GLN NE2 N -3.139 -3.793 -7.655 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . rr_2lda 1
. 1 . 175 . 1 1 10 GLN O O -5.060 -6.868 -3.225 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . rr_2lda 1
. 1 . 176 . 1 1 10 GLN OE1 O -4.837 -3.774 -6.183 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . rr_2lda 1
. 1 . 177 . 1 1 11 ASP C C -5.131 -7.626 -0.080 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_2lda 1
. 1 . 178 . 1 1 11 ASP CA C -3.726 -7.506 -0.690 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_2lda 1
. 1 . 179 . 1 1 11 ASP CB C -2.631 -7.542 0.401 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_2lda 1
. 1 . 180 . 1 1 11 ASP CG C -2.647 -8.811 1.244 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_2lda 1
. 1 . 181 . 1 1 11 ASP H H -3.030 -5.554 -1.166 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_2lda 1
. 1 . 182 . 1 1 11 ASP HA H -3.576 -8.342 -1.362 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_2lda 1
. 1 . 183 . 1 1 11 ASP HB2 H -1.661 -7.476 -0.072 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_2lda 1
. 1 . 184 . 1 1 11 ASP HB3 H -2.758 -6.696 1.056 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_2lda 1
. 1 . 185 . 1 1 11 ASP N N -3.613 -6.266 -1.496 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_2lda 1
. 1 . 186 . 1 1 11 ASP O O -5.708 -8.730 -0.082 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_2lda 1
. 1 . 187 . 1 1 11 ASP OD1 O -2.495 -9.907 0.669 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_2lda 1
. 1 . 188 . 1 1 11 ASP OD2 O -2.815 -8.702 2.476 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD2 . . . . . . . . . rr_2lda 1
. 1 . 189 . 1 1 12 SER C C -8.083 -6.169 0.025 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_2lda 1
. 1 . 190 . 1 1 12 SER CA C -6.978 -6.347 1.080 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_2lda 1
. 1 . 191 . 1 1 12 SER CB C -6.967 -5.176 2.083 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_2lda 1
. 1 . 192 . 1 1 12 SER H H -5.097 -5.655 0.386 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_2lda 1
. 1 . 193 . 1 1 12 SER HA H -7.165 -7.267 1.620 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_2lda 1
. 1 . 194 . 1 1 12 SER HB2 H -6.956 -4.238 1.547 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_2lda 1
. 1 . 195 . 1 1 12 SER HB3 H -7.845 -5.220 2.715 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_2lda 1
. 1 . 196 . 1 1 12 SER HG H -5.984 -5.819 3.653 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_2lda 1
. 1 . 197 . 1 1 12 SER N N -5.648 -6.461 0.441 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_2lda 1
. 1 . 198 . 1 1 12 SER O O -9.250 -5.956 0.361 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_2lda 1
. 1 . 199 . 1 1 12 SER OG O -5.816 -5.235 2.910 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_2lda 1
. 1 . 200 . 1 1 13 NH2 HN1 H -6.804 -6.577 -1.457 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2lda 1
. 1 . 201 . 1 1 13 NH2 HN2 H -8.431 -6.257 -1.945 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2lda 1
. 1 . 202 . 1 1 13 NH2 N N -7.735 -6.349 -1.255 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2lda 1
. 2 . 203 . 1 1 1 ACE C C 4.927 5.568 3.396 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . rr_2lda 1
. 2 . 204 . 1 1 1 ACE CH3 C 6.201 5.531 4.214 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . rr_2lda 1
. 2 . 205 . 1 1 1 ACE H1 H 6.367 4.527 4.575 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . rr_2lda 1
. 2 . 206 . 1 1 1 ACE H2 H 6.111 6.206 5.052 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . rr_2lda 1
. 2 . 207 . 1 1 1 ACE H3 H 7.034 5.834 3.596 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . rr_2lda 1
. 2 . 208 . 1 1 1 ACE O O 3.912 4.982 3.820 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . rr_2lda 1
. 2 . 209 . 1 1 2 HIS C C 3.655 5.169 0.448 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2lda 1
. 2 . 210 . 1 1 2 HIS CA C 3.879 6.450 1.275 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2lda 1
. 2 . 211 . 1 1 2 HIS CB C 4.147 7.659 0.356 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2lda 1
. 2 . 212 . 1 1 2 HIS CD2 C 2.635 8.304 -1.661 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2lda 1
. 2 . 213 . 1 1 2 HIS CE1 C 0.926 9.099 -0.542 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2lda 1
. 2 . 214 . 1 1 2 HIS CG C 2.927 8.194 -0.342 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2lda 1
. 2 . 215 . 1 1 2 HIS H H 5.858 6.708 1.996 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H . . . . . . . . . rr_2lda 1
. 2 . 216 . 1 1 2 HIS HA H 2.992 6.647 1.858 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2lda 1
. 2 . 217 . 1 1 2 HIS HB2 H 4.562 8.462 0.947 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2lda 1
. 2 . 218 . 1 1 2 HIS HB3 H 4.863 7.378 -0.402 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2lda 1
. 2 . 219 . 1 1 2 HIS HD1 H 1.741 8.763 1.305 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2lda 1
. 2 . 220 . 1 1 2 HIS HD2 H 3.267 8.004 -2.485 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2lda 1
. 2 . 221 . 1 1 2 HIS HE1 H -0.032 9.540 -0.302 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2lda 1
. 2 . 222 . 1 1 2 HIS HE2 H 0.881 8.994 -2.586 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2lda 1
. 2 . 223 . 1 1 2 HIS N N 5.004 6.279 2.217 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2lda 1
. 2 . 224 . 1 1 2 HIS ND1 N 1.835 8.702 0.332 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2lda 1
. 2 . 225 . 1 1 2 HIS NE2 N 1.387 8.869 -1.756 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2lda 1
. 2 . 226 . 1 1 2 HIS O O 2.524 4.935 -0.013 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2lda 1
. 2 . 227 . 1 1 3 LYS C C 3.999 1.941 0.182 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2lda 1
. 2 . 228 . 1 1 3 LYS CA C 4.760 3.092 -0.510 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2lda 1
. 2 . 229 . 1 1 3 LYS CB C 6.191 2.626 -0.845 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2lda 1
. 2 . 230 . 1 1 3 LYS CD C 8.270 2.872 -2.243 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2lda 1
. 2 . 231 . 1 1 3 LYS CE C 9.028 3.712 -3.267 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2lda 1
. 2 . 232 . 1 1 3 LYS CG C 6.918 3.478 -1.884 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2lda 1
. 2 . 233 . 1 1 3 LYS H H 5.609 4.654 0.672 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2lda 1
. 2 . 234 . 1 1 3 LYS HA H 4.255 3.304 -1.439 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2lda 1
. 2 . 235 . 1 1 3 LYS HB2 H 6.781 2.623 0.057 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2lda 1
. 2 . 236 . 1 1 3 LYS HB3 H 6.140 1.617 -1.223 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2lda 1
. 2 . 237 . 1 1 3 LYS HD2 H 8.867 2.796 -1.347 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2lda 1
. 2 . 238 . 1 1 3 LYS HD3 H 8.110 1.885 -2.652 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2lda 1
. 2 . 239 . 1 1 3 LYS HE2 H 9.195 4.697 -2.858 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2lda 1
. 2 . 240 . 1 1 3 LYS HE3 H 9.982 3.241 -3.461 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2lda 1
. 2 . 241 . 1 1 3 LYS HG2 H 6.313 3.536 -2.777 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2lda 1
. 2 . 242 . 1 1 3 LYS HG3 H 7.075 4.469 -1.488 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2lda 1
. 2 . 243 . 1 1 3 LYS HZ1 H 8.939 4.101 -5.319 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2lda 1
. 2 . 244 . 1 1 3 LYS HZ2 H 7.553 4.574 -4.471 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2lda 1
. 2 . 245 . 1 1 3 LYS HZ3 H 7.830 2.936 -4.793 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2lda 1
. 2 . 246 . 1 1 3 LYS N N 4.766 4.363 0.268 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2lda 1
. 2 . 247 . 1 1 3 LYS NZ N 8.285 3.840 -4.553 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2lda 1
. 2 . 248 . 1 1 3 LYS O O 3.224 1.219 -0.479 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2lda 1
. 2 . 249 . 1 1 4 . C C 2.088 0.512 2.066 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 C . . . . . . . . . rr_2lda 1
. 2 . 250 . 1 1 4 . CA C 3.646 0.606 2.363 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CA . . . . . . . . . rr_2lda 1
. 2 . 251 . 1 1 4 . CB C 3.862 0.929 3.906 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB . . . . . . . . . rr_2lda 1
. 2 . 252 . 1 1 4 . CB1 C 4.461 -0.681 1.970 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB1 . . . . . . . . . rr_2lda 1
. 2 . 253 . 1 1 4 . CD C 1.785 -0.031 5.194 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CD . . . . . . . . . rr_2lda 1
. 2 . 254 . 1 1 4 . CE C 1.184 -0.738 6.430 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CE . . . . . . . . . rr_2lda 1
. 2 . 255 . 1 1 4 . CG C 3.307 -0.046 5.022 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CG . . . . . . . . . rr_2lda 1
. 2 . 256 . 1 1 4 . HB H 3.429 1.903 4.092 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB . . . . . . . . . rr_2lda 1
. 2 . 257 . 1 1 4 . HB1 H 3.876 -1.284 1.291 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1 . . . . . . . . . rr_2lda 1
. 2 . 258 . 1 1 4 . HB1A H 4.682 -1.253 2.858 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1A . . . . . . . . . rr_2lda 1
. 2 . 259 . 1 1 4 . HB1B H 5.385 -0.390 1.491 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1B . . . . . . . . . rr_2lda 1
. 2 . 260 . 1 1 4 . HBA H 4.923 1.009 4.072 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HBA . . . . . . . . . rr_2lda 1
. 2 . 261 . 1 1 4 . HD H 1.361 -0.499 4.314 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HD . . . . . . . . . rr_2lda 1
. 2 . 262 . 1 1 4 . HDA H 1.461 0.994 5.215 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HDA . . . . . . . . . rr_2lda 1
. 2 . 263 . 1 1 4 . HE H 1.798 -0.758 7.319 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HE . . . . . . . . . rr_2lda 1
. 2 . 264 . 1 1 4 . HG H 3.765 0.222 5.965 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HG . . . . . . . . . rr_2lda 1
. 2 . 265 . 1 1 4 . HGA H 3.601 -1.052 4.768 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HGA . . . . . . . . . rr_2lda 1
. 2 . 266 . 1 1 4 . HN H 4.902 2.308 1.982 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HN . . . . . . . . . rr_2lda 1
. 2 . 267 . 1 1 4 . N N 4.256 1.724 1.539 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 N . . . . . . . . . rr_2lda 1
. 2 . 268 . 1 1 4 . O O 1.552 -0.544 1.647 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 O . . . . . . . . . rr_2lda 1
. 2 . 269 . 1 1 5 LEU C C -0.589 1.414 0.826 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2lda 1
. 2 . 270 . 1 1 5 LEU CA C -0.102 1.808 2.219 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2lda 1
. 2 . 271 . 1 1 5 LEU CB C -0.591 3.227 2.599 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2lda 1
. 2 . 272 . 1 1 5 LEU CD1 C -2.533 2.895 4.244 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2lda 1
. 2 . 273 . 1 1 5 LEU CD2 C -2.532 4.837 2.660 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2lda 1
. 2 . 274 . 1 1 5 LEU CG C -2.116 3.387 2.850 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2lda 1
. 2 . 275 . 1 1 5 LEU H H 1.874 2.440 2.716 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2lda 1
. 2 . 276 . 1 1 5 LEU HA H -0.537 1.112 2.915 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2lda 1
. 2 . 277 . 1 1 5 LEU HB2 H -0.074 3.530 3.498 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2lda 1
. 2 . 278 . 1 1 5 LEU HB3 H -0.312 3.902 1.803 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2lda 1
. 2 . 279 . 1 1 5 LEU HD11 H -1.718 3.039 4.937 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2lda 1
. 2 . 280 . 1 1 5 LEU HD12 H -2.779 1.843 4.194 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2lda 1
. 2 . 281 . 1 1 5 LEU HD13 H -3.397 3.449 4.579 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2lda 1
. 2 . 282 . 1 1 5 LEU HD21 H -2.419 5.110 1.621 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2lda 1
. 2 . 283 . 1 1 5 LEU HD22 H -1.909 5.474 3.270 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2lda 1
. 2 . 284 . 1 1 5 LEU HD23 H -3.565 4.956 2.952 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2lda 1
. 2 . 285 . 1 1 5 LEU HG H -2.652 2.795 2.124 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2lda 1
. 2 . 286 . 1 1 5 LEU N N 1.375 1.674 2.361 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2lda 1
. 2 . 287 . 1 1 5 LEU O O -1.730 0.921 0.711 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2lda 1
. 2 . 288 . 1 1 6 HIS C C -0.210 -0.233 -1.730 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . rr_2lda 1
. 2 . 289 . 1 1 6 HIS CA C 0.007 1.280 -1.626 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . rr_2lda 1
. 2 . 290 . 1 1 6 HIS CB C 1.150 1.748 -2.534 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . rr_2lda 1
. 2 . 291 . 1 1 6 HIS CD2 C 0.761 3.313 -4.571 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . rr_2lda 1
. 2 . 292 . 1 1 6 HIS CE1 C -0.097 1.845 -5.951 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . rr_2lda 1
. 2 . 293 . 1 1 6 HIS CG C 0.723 2.120 -3.923 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . rr_2lda 1
. 2 . 294 . 1 1 6 HIS H H 1.176 2.004 -0.007 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . rr_2lda 1
. 2 . 295 . 1 1 6 HIS HA H -0.903 1.784 -1.908 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . rr_2lda 1
. 2 . 296 . 1 1 6 HIS HB2 H 1.612 2.618 -2.090 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . rr_2lda 1
. 2 . 297 . 1 1 6 HIS HB3 H 1.883 0.960 -2.609 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . rr_2lda 1
. 2 . 298 . 1 1 6 HIS HD1 H 0.023 0.268 -4.648 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . rr_2lda 1
. 2 . 299 . 1 1 6 HIS HD2 H 1.129 4.250 -4.174 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . rr_2lda 1
. 2 . 300 . 1 1 6 HIS HE1 H -0.530 1.396 -6.832 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . rr_2lda 1
. 2 . 301 . 1 1 6 HIS HE2 H 0.033 3.818 -6.471 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . rr_2lda 1
. 2 . 302 . 1 1 6 HIS N N 0.299 1.622 -0.216 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . rr_2lda 1
. 2 . 303 . 1 1 6 HIS ND1 N 0.180 1.221 -4.817 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . rr_2lda 1
. 2 . 304 . 1 1 6 HIS NE2 N 0.245 3.112 -5.826 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . rr_2lda 1
. 2 . 305 . 1 1 6 HIS O O -1.136 -0.689 -2.422 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . rr_2lda 1
. 2 . 306 . 1 1 7 GLN C C -0.591 -3.020 -0.220 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2lda 1
. 2 . 307 . 1 1 7 GLN CA C 0.664 -2.465 -0.916 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2lda 1
. 2 . 308 . 1 1 7 GLN CB C 1.916 -2.977 -0.189 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2lda 1
. 2 . 309 . 1 1 7 GLN CD C 3.178 -4.127 -2.054 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2lda 1
. 2 . 310 . 1 1 7 GLN CG C 3.172 -2.991 -1.050 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2lda 1
. 2 . 311 . 1 1 7 GLN H H 1.371 -0.492 -0.497 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2lda 1
. 2 . 312 . 1 1 7 GLN HA H 0.678 -2.844 -1.926 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2lda 1
. 2 . 313 . 1 1 7 GLN HB2 H 2.104 -2.354 0.670 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2lda 1
. 2 . 314 . 1 1 7 GLN HB3 H 1.730 -3.984 0.149 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2lda 1
. 2 . 315 . 1 1 7 GLN HE21 H 4.902 -4.799 -1.326 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2lda 1
. 2 . 316 . 1 1 7 GLN HE22 H 4.235 -5.700 -2.638 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2lda 1
. 2 . 317 . 1 1 7 GLN HG2 H 3.236 -2.063 -1.590 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2lda 1
. 2 . 318 . 1 1 7 GLN HG3 H 4.034 -3.091 -0.407 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2lda 1
. 2 . 319 . 1 1 7 GLN N N 0.678 -0.983 -0.995 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2lda 1
. 2 . 320 . 1 1 7 GLN NE2 N 4.209 -4.960 -2.001 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2lda 1
. 2 . 321 . 1 1 7 GLN O O -1.274 -3.879 -0.797 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2lda 1
. 2 . 322 . 1 1 7 GLN OE1 O 2.266 -4.253 -2.869 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2lda 1
. 2 . 323 . 1 1 8 . C C -3.363 -2.829 1.059 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 C . . . . . . . . . rr_2lda 1
. 2 . 324 . 1 1 8 . CA C -2.031 -2.969 1.900 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CA . . . . . . . . . rr_2lda 1
. 2 . 325 . 1 1 8 . CB C -2.172 -2.021 3.147 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB . . . . . . . . . rr_2lda 1
. 2 . 326 . 1 1 8 . CB1 C -1.791 -4.438 2.394 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB1 . . . . . . . . . rr_2lda 1
. 2 . 327 . 1 1 8 . CD C -1.180 -1.511 5.443 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CD . . . . . . . . . rr_2lda 1
. 2 . 328 . 1 1 8 . CE C -0.049 -1.356 6.529 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CE . . . . . . . . . rr_2lda 1
. 2 . 329 . 1 1 8 . CG C -0.881 -1.629 3.933 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CG . . . . . . . . . rr_2lda 1
. 2 . 330 . 1 1 8 . HB H -2.853 -2.489 3.843 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB . . . . . . . . . rr_2lda 1
. 2 . 331 . 1 1 8 . HB1 H -2.736 -4.886 2.666 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1 . . . . . . . . . rr_2lda 1
. 2 . 332 . 1 1 8 . HB1A H -1.141 -4.424 3.257 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1A . . . . . . . . . rr_2lda 1
. 2 . 333 . 1 1 8 . HB1B H -1.330 -5.014 1.607 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1B . . . . . . . . . rr_2lda 1
. 2 . 334 . 1 1 8 . HBA H -2.624 -1.101 2.809 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HBA . . . . . . . . . rr_2lda 1
. 2 . 335 . 1 1 8 . HD H -1.754 -2.395 5.706 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HD . . . . . . . . . rr_2lda 1
. 2 . 336 . 1 1 8 . HDA H -1.830 -0.665 5.569 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HDA . . . . . . . . . rr_2lda 1
. 2 . 337 . 1 1 8 . HE H -0.269 -1.788 7.497 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HE . . . . . . . . . rr_2lda 1
. 2 . 338 . 1 1 8 . HG H -0.523 -0.673 3.575 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HG . . . . . . . . . rr_2lda 1
. 2 . 339 . 1 1 8 . HGA H -0.128 -2.386 3.766 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HGA . . . . . . . . . rr_2lda 1
. 2 . 340 . 1 1 8 . HN H -0.272 -1.874 1.427 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HN . . . . . . . . . rr_2lda 1
. 2 . 341 . 1 1 8 . N N -0.871 -2.533 1.050 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 N . . . . . . . . . rr_2lda 1
. 2 . 342 . 1 1 8 . O O -4.345 -3.613 1.218 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 O . . . . . . . . . rr_2lda 1
. 2 . 343 . 1 1 9 LEU C C -4.814 -2.498 -1.739 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_2lda 1
. 2 . 344 . 1 1 9 LEU CA C -4.515 -1.400 -0.700 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_2lda 1
. 2 . 345 . 1 1 9 LEU CB C -4.257 -0.045 -1.403 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_2lda 1
. 2 . 346 . 1 1 9 LEU CD1 C -6.365 1.365 -1.104 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_2lda 1
. 2 . 347 . 1 1 9 LEU CD2 C -4.995 1.575 -3.186 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_2lda 1
. 2 . 348 . 1 1 9 LEU CG C -5.470 0.623 -2.099 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_2lda 1
. 2 . 349 . 1 1 9 LEU H H -2.573 -1.183 0.154 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_2lda 1
. 2 . 350 . 1 1 9 LEU HA H -5.382 -1.293 -0.066 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_2lda 1
. 2 . 351 . 1 1 9 LEU HB2 H -3.877 0.645 -0.664 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_2lda 1
. 2 . 352 . 1 1 9 LEU HB3 H -3.491 -0.198 -2.148 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_2lda 1
. 2 . 353 . 1 1 9 LEU HD11 H -5.819 1.543 -0.191 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_2lda 1
. 2 . 354 . 1 1 9 LEU HD12 H -7.238 0.765 -0.891 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_2lda 1
. 2 . 355 . 1 1 9 LEU HD13 H -6.673 2.308 -1.531 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_2lda 1
. 2 . 356 . 1 1 9 LEU HD21 H -5.159 2.594 -2.868 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_2lda 1
. 2 . 357 . 1 1 9 LEU HD22 H -5.548 1.388 -4.095 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_2lda 1
. 2 . 358 . 1 1 9 LEU HD23 H -3.942 1.419 -3.367 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_2lda 1
. 2 . 359 . 1 1 9 LEU HG H -6.067 -0.143 -2.570 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_2lda 1
. 2 . 360 . 1 1 9 LEU N N -3.370 -1.757 0.181 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_2lda 1
. 2 . 361 . 1 1 9 LEU O O -5.983 -2.636 -2.150 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_2lda 1
. 2 . 362 . 1 1 10 GLN C C -4.297 -5.675 -2.652 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . rr_2lda 1
. 2 . 363 . 1 1 10 GLN CA C -3.816 -4.318 -3.198 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . rr_2lda 1
. 2 . 364 . 1 1 10 GLN CB C -2.479 -4.498 -3.932 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . rr_2lda 1
. 2 . 365 . 1 1 10 GLN CD C -1.348 -4.177 -6.182 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . rr_2lda 1
. 2 . 366 . 1 1 10 GLN CG C -2.360 -3.637 -5.184 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . rr_2lda 1
. 2 . 367 . 1 1 10 GLN H H -2.848 -3.028 -1.796 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . rr_2lda 1
. 2 . 368 . 1 1 10 GLN HA H -4.541 -3.982 -3.928 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . rr_2lda 1
. 2 . 369 . 1 1 10 GLN HB2 H -1.673 -4.235 -3.263 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . rr_2lda 1
. 2 . 370 . 1 1 10 GLN HB3 H -2.374 -5.534 -4.221 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . rr_2lda 1
. 2 . 371 . 1 1 10 GLN HE21 H -0.379 -2.438 -6.205 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . rr_2lda 1
. 2 . 372 . 1 1 10 GLN HE22 H 0.277 -3.672 -7.220 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . rr_2lda 1
. 2 . 373 . 1 1 10 GLN HG2 H -3.326 -3.594 -5.665 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . rr_2lda 1
. 2 . 374 . 1 1 10 GLN HG3 H -2.061 -2.641 -4.892 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . rr_2lda 1
. 2 . 375 . 1 1 10 GLN N N -3.728 -3.242 -2.171 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . rr_2lda 1
. 2 . 376 . 1 1 10 GLN NE2 N -0.386 -3.344 -6.574 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . rr_2lda 1
. 2 . 377 . 1 1 10 GLN O O -5.231 -6.253 -3.242 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . rr_2lda 1
. 2 . 378 . 1 1 10 GLN OE1 O -1.440 -5.325 -6.611 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . rr_2lda 1
. 2 . 379 . 1 1 11 ASP C C -5.306 -7.563 -0.241 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_2lda 1
. 2 . 380 . 1 1 11 ASP CA C -3.922 -7.515 -0.936 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_2lda 1
. 2 . 381 . 1 1 11 ASP CB C -2.803 -7.917 0.054 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_2lda 1
. 2 . 382 . 1 1 11 ASP CG C -2.952 -9.341 0.572 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_2lda 1
. 2 . 383 . 1 1 11 ASP H H -2.870 -5.667 -1.191 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_2lda 1
. 2 . 384 . 1 1 11 ASP HA H -3.928 -8.242 -1.739 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_2lda 1
. 2 . 385 . 1 1 11 ASP HB2 H -1.847 -7.845 -0.445 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_2lda 1
. 2 . 386 . 1 1 11 ASP HB3 H -2.808 -7.247 0.900 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_2lda 1
. 2 . 387 . 1 1 11 ASP N N -3.618 -6.189 -1.557 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_2lda 1
. 2 . 388 . 1 1 11 ASP O O -5.858 -8.669 -0.085 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_2lda 1
. 2 . 389 . 1 1 11 ASP OD1 O -2.903 -10.279 -0.250 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_2lda 1
. 2 . 390 . 1 1 11 ASP OD2 O -3.119 -9.514 1.797 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD2 . . . . . . . . . rr_2lda 1
. 2 . 391 . 1 1 12 SER C C -8.354 -6.160 -0.059 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_2lda 1
. 2 . 392 . 1 1 12 SER CA C -7.129 -6.212 0.906 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_2lda 1
. 2 . 393 . 1 1 12 SER CB C -7.052 -4.960 1.810 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_2lda 1
. 2 . 394 . 1 1 12 SER H H -5.300 -5.549 0.038 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_2lda 1
. 2 . 395 . 1 1 12 SER HA H -7.244 -7.081 1.541 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_2lda 1
. 2 . 396 . 1 1 12 SER HB2 H -6.961 -4.077 1.197 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_2lda 1
. 2 . 397 . 1 1 12 SER HB3 H -7.951 -4.893 2.406 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_2lda 1
. 2 . 398 . 1 1 12 SER HG H -6.237 -5.122 3.586 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_2lda 1
. 2 . 399 . 1 1 12 SER N N -5.828 -6.358 0.192 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_2lda 1
. 2 . 400 . 1 1 12 SER O O -9.467 -5.792 0.351 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_2lda 1
. 2 . 401 . 1 1 12 SER OG O -5.934 -5.029 2.680 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_2lda 1
. 2 . 402 . 1 1 13 NH2 HN1 H -7.478 -7.440 -1.306 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2lda 1
. 2 . 403 . 1 1 13 NH2 HN2 H -9.035 -6.891 -1.782 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2lda 1
. 2 . 404 . 1 1 13 NH2 N N -8.275 -6.907 -1.160 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2lda 1
. 3 . 405 . 1 1 1 ACE C C 5.061 5.458 3.343 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . rr_2lda 1
. 3 . 406 . 1 1 1 ACE CH3 C 6.347 5.396 4.146 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . rr_2lda 1
. 3 . 407 . 1 1 1 ACE H1 H 6.123 5.529 5.195 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . rr_2lda 1
. 3 . 408 . 1 1 1 ACE H2 H 7.014 6.181 3.820 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . rr_2lda 1
. 3 . 409 . 1 1 1 ACE H3 H 6.820 4.437 3.998 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . rr_2lda 1
. 3 . 410 . 1 1 1 ACE O O 4.032 4.922 3.796 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . rr_2lda 1
. 3 . 411 . 1 1 2 HIS C C 3.717 5.052 0.413 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2lda 1
. 3 . 412 . 1 1 2 HIS CA C 4.010 6.331 1.217 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2lda 1
. 3 . 413 . 1 1 2 HIS CB C 4.302 7.516 0.274 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2lda 1
. 3 . 414 . 1 1 2 HIS CD2 C 2.582 9.356 -0.375 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2lda 1
. 3 . 415 . 1 1 2 HIS CE1 C 1.268 8.136 -1.637 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2lda 1
. 3 . 416 . 1 1 2 HIS CG C 3.084 8.097 -0.389 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2lda 1
. 3 . 417 . 1 1 2 HIS H H 6.009 6.531 1.904 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H . . . . . . . . . rr_2lda 1
. 3 . 418 . 1 1 2 HIS HA H 3.140 6.567 1.812 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2lda 1
. 3 . 419 . 1 1 2 HIS HB2 H 4.775 8.304 0.839 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2lda 1
. 3 . 420 . 1 1 2 HIS HB3 H 4.977 7.192 -0.504 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2lda 1
. 3 . 421 . 1 1 2 HIS HD1 H 2.332 6.405 -1.395 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2lda 1
. 3 . 422 . 1 1 2 HIS HD2 H 2.993 10.207 0.150 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2lda 1
. 3 . 423 . 1 1 2 HIS HE1 H 0.461 7.830 -2.286 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2lda 1
. 3 . 424 . 1 1 2 HIS HE2 H 0.948 10.147 -1.428 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2lda 1
. 3 . 425 . 1 1 2 HIS N N 5.144 6.138 2.147 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2lda 1
. 3 . 426 . 1 1 2 HIS ND1 N 2.237 7.358 -1.188 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2lda 1
. 3 . 427 . 1 1 2 HIS NE2 N 1.453 9.352 -1.158 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2lda 1
. 3 . 428 . 1 1 2 HIS O O 2.550 4.829 0.039 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2lda 1
. 3 . 429 . 1 1 3 LYS C C 3.992 1.860 0.182 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2lda 1
. 3 . 430 . 1 1 3 LYS CA C 4.721 2.957 -0.604 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2lda 1
. 3 . 431 . 1 1 3 LYS CB C 6.113 2.450 -1.033 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2lda 1
. 3 . 432 . 1 1 3 LYS CD C 8.150 2.717 -2.494 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2lda 1
. 3 . 433 . 1 1 3 LYS CE C 8.934 3.632 -3.433 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2lda 1
. 3 . 434 . 1 1 3 LYS CG C 6.818 3.326 -2.068 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2lda 1
. 3 . 435 . 1 1 3 LYS H H 5.675 4.510 0.506 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2lda 1
. 3 . 436 . 1 1 3 LYS HA H 4.147 3.164 -1.493 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2lda 1
. 3 . 437 . 1 1 3 LYS HB2 H 6.747 2.378 -0.164 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2lda 1
. 3 . 438 . 1 1 3 LYS HB3 H 5.999 1.464 -1.456 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2lda 1
. 3 . 439 . 1 1 3 LYS HD2 H 8.746 2.534 -1.613 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2lda 1
. 3 . 440 . 1 1 3 LYS HD3 H 7.958 1.782 -2.999 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2lda 1
. 3 . 441 . 1 1 3 LYS HE2 H 9.851 3.134 -3.711 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2lda 1
. 3 . 442 . 1 1 3 LYS HE3 H 8.346 3.814 -4.321 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2lda 1
. 3 . 443 . 1 1 3 LYS HG2 H 6.183 3.419 -2.936 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2lda 1
. 3 . 444 . 1 1 3 LYS HG3 H 7.000 4.301 -1.648 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2lda 1
. 3 . 445 . 1 1 3 LYS HZ1 H 10.237 4.905 -2.410 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2lda 1
. 3 . 446 . 1 1 3 LYS HZ2 H 8.607 5.143 -2.026 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2lda 1
. 3 . 447 . 1 1 3 LYS HZ3 H 9.218 5.702 -3.500 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2lda 1
. 3 . 448 . 1 1 3 LYS N N 4.804 4.232 0.160 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2lda 1
. 3 . 449 . 1 1 3 LYS NZ N 9.272 4.937 -2.798 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2lda 1
. 3 . 450 . 1 1 3 LYS O O 3.217 1.092 -0.402 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2lda 1
. 3 . 451 . 1 1 4 . C C 2.087 0.717 2.268 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 C . . . . . . . . . rr_2lda 1
. 3 . 452 . 1 1 4 . CA C 3.674 0.798 2.492 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CA . . . . . . . . . rr_2lda 1
. 3 . 453 . 1 1 4 . CB C 4.073 1.296 3.936 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB . . . . . . . . . rr_2lda 1
. 3 . 454 . 1 1 4 . CB1 C 4.412 -0.551 2.262 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB1 . . . . . . . . . rr_2lda 1
. 3 . 455 . 1 1 4 . CD C 2.022 1.413 5.406 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CD . . . . . . . . . rr_2lda 1
. 3 . 456 . 1 1 4 . CE C 0.907 0.729 6.260 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CE . . . . . . . . . rr_2lda 1
. 3 . 457 . 1 1 4 . CG C 3.356 0.707 5.185 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CG . . . . . . . . . rr_2lda 1
. 3 . 458 . 1 1 4 . HB H 3.936 2.367 3.959 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB . . . . . . . . . rr_2lda 1
. 3 . 459 . 1 1 4 . HB1 H 5.035 -0.772 3.117 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1 . . . . . . . . . rr_2lda 1
. 3 . 460 . 1 1 4 . HB1A H 5.028 -0.478 1.379 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1A . . . . . . . . . rr_2lda 1
. 3 . 461 . 1 1 4 . HB1B H 3.687 -1.341 2.130 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1B . . . . . . . . . rr_2lda 1
. 3 . 462 . 1 1 4 . HBA H 5.125 1.099 4.065 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HBA . . . . . . . . . rr_2lda 1
. 3 . 463 . 1 1 4 . HD H 1.612 1.623 4.430 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HD . . . . . . . . . rr_2lda 1
. 3 . 464 . 1 1 4 . HDA H 2.240 2.358 5.880 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HDA . . . . . . . . . rr_2lda 1
. 3 . 465 . 1 1 4 . HE H 0.951 0.887 7.331 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HE . . . . . . . . . rr_2lda 1
. 3 . 466 . 1 1 4 . HG H 3.989 0.857 6.048 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HG . . . . . . . . . rr_2lda 1
. 3 . 467 . 1 1 4 . HGA H 3.183 -0.349 5.035 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HGA . . . . . . . . . rr_2lda 1
. 3 . 468 . 1 1 4 . HN H 4.893 2.444 1.907 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HN . . . . . . . . . rr_2lda 1
. 3 . 469 . 1 1 4 . N N 4.263 1.795 1.538 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 N . . . . . . . . . rr_2lda 1
. 3 . 470 . 1 1 4 . O O 1.495 -0.378 2.040 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 O . . . . . . . . . rr_2lda 1
. 3 . 471 . 1 1 5 LEU C C -0.564 1.594 0.921 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2lda 1
. 3 . 472 . 1 1 5 LEU CA C -0.035 2.118 2.257 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2lda 1
. 3 . 473 . 1 1 5 LEU CB C -0.434 3.602 2.444 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2lda 1
. 3 . 474 . 1 1 5 LEU CD1 C -2.319 3.628 4.180 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2lda 1
. 3 . 475 . 1 1 5 LEU CD2 C -2.273 5.322 2.350 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2lda 1
. 3 . 476 . 1 1 5 LEU CG C -1.935 3.888 2.720 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2lda 1
. 3 . 477 . 1 1 5 LEU H H 1.979 2.728 2.588 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2lda 1
. 3 . 478 . 1 1 5 LEU HA H -0.494 1.544 3.047 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2lda 1
. 3 . 479 . 1 1 5 LEU HB2 H 0.139 4.003 3.266 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2lda 1
. 3 . 480 . 1 1 5 LEU HB3 H -0.156 4.135 1.547 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2lda 1
. 3 . 481 . 1 1 5 LEU HD11 H -3.341 3.284 4.227 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2lda 1
. 3 . 482 . 1 1 5 LEU HD12 H -2.220 4.542 4.744 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2lda 1
. 3 . 483 . 1 1 5 LEU HD13 H -1.665 2.875 4.595 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2lda 1
. 3 . 484 . 1 1 5 LEU HD21 H -3.111 5.331 1.669 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2lda 1
. 3 . 485 . 1 1 5 LEU HD22 H -1.419 5.782 1.879 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2lda 1
. 3 . 486 . 1 1 5 LEU HD23 H -2.531 5.870 3.245 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2lda 1
. 3 . 487 . 1 1 5 LEU HG H -2.538 3.239 2.103 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2lda 1
. 3 . 488 . 1 1 5 LEU N N 1.436 1.937 2.385 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2lda 1
. 3 . 489 . 1 1 5 LEU O O -1.701 1.083 0.876 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2lda 1
. 3 . 490 . 1 1 6 HIS C C -0.220 -0.203 -1.618 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . rr_2lda 1
. 3 . 491 . 1 1 6 HIS CA C -0.039 1.321 -1.533 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . rr_2lda 1
. 3 . 492 . 1 1 6 HIS CB C 1.059 1.808 -2.497 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . rr_2lda 1
. 3 . 493 . 1 1 6 HIS CD2 C 0.495 2.849 -4.813 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . rr_2lda 1
. 3 . 494 . 1 1 6 HIS CE1 C 0.113 0.998 -5.920 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . rr_2lda 1
. 3 . 495 . 1 1 6 HIS CG C 0.668 1.817 -3.950 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . rr_2lda 1
. 3 . 496 . 1 1 6 HIS H H 1.153 2.170 0.003 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . rr_2lda 1
. 3 . 497 . 1 1 6 HIS HA H -0.969 1.789 -1.806 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . rr_2lda 1
. 3 . 498 . 1 1 6 HIS HB2 H 1.333 2.817 -2.230 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . rr_2lda 1
. 3 . 499 . 1 1 6 HIS HB3 H 1.924 1.171 -2.392 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . rr_2lda 1
. 3 . 500 . 1 1 6 HIS HD1 H 0.458 -0.246 -4.331 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . rr_2lda 1
. 3 . 501 . 1 1 6 HIS HD2 H 0.602 3.902 -4.586 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . rr_2lda 1
. 3 . 502 . 1 1 6 HIS HE1 H -0.120 0.309 -6.716 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . rr_2lda 1
. 3 . 503 . 1 1 6 HIS HE2 H 0.094 2.809 -6.870 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . rr_2lda 1
. 3 . 504 . 1 1 6 HIS N N 0.284 1.745 -0.154 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . rr_2lda 1
. 3 . 505 . 1 1 6 HIS ND1 N 0.418 0.671 -4.675 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . rr_2lda 1
. 3 . 506 . 1 1 6 HIS NE2 N 0.151 2.312 -6.028 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . rr_2lda 1
. 3 . 507 . 1 1 6 HIS O O -1.150 -0.667 -2.304 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . rr_2lda 1
. 3 . 508 . 1 1 7 GLN C C -0.485 -3.051 -0.169 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2lda 1
. 3 . 509 . 1 1 7 GLN CA C 0.725 -2.436 -0.895 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2lda 1
. 3 . 510 . 1 1 7 GLN CB C 2.033 -2.984 -0.283 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2lda 1
. 3 . 511 . 1 1 7 GLN CD C 3.771 -4.705 -0.960 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2lda 1
. 3 . 512 . 1 1 7 GLN CG C 3.081 -3.398 -1.314 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2lda 1
. 3 . 513 . 1 1 7 GLN H H 1.405 -0.474 -0.439 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2lda 1
. 3 . 514 . 1 1 7 GLN HA H 0.683 -2.759 -1.925 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2lda 1
. 3 . 515 . 1 1 7 GLN HB2 H 2.473 -2.231 0.347 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2lda 1
. 3 . 516 . 1 1 7 GLN HB3 H 1.797 -3.847 0.319 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2lda 1
. 3 . 517 . 1 1 7 GLN HE21 H 5.560 -3.856 -1.176 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2lda 1
. 3 . 518 . 1 1 7 GLN HE22 H 5.570 -5.523 -0.727 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2lda 1
. 3 . 519 . 1 1 7 GLN HG2 H 2.605 -3.508 -2.273 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2lda 1
. 3 . 520 . 1 1 7 GLN HG3 H 3.834 -2.625 -1.374 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2lda 1
. 3 . 521 . 1 1 7 GLN N N 0.707 -0.954 -0.922 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2lda 1
. 3 . 522 . 1 1 7 GLN NE2 N 5.101 -4.693 -0.954 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2lda 1
. 3 . 523 . 1 1 7 GLN O O -1.075 -4.005 -0.697 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2lda 1
. 3 . 524 . 1 1 7 GLN OE1 O 3.119 -5.719 -0.712 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2lda 1
. 3 . 525 . 1 1 8 . C C -3.345 -2.813 1.109 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 C . . . . . . . . . rr_2lda 1
. 3 . 526 . 1 1 8 . CA C -2.007 -3.016 1.918 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CA . . . . . . . . . rr_2lda 1
. 3 . 527 . 1 1 8 . CB C -2.136 -2.130 3.226 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB . . . . . . . . . rr_2lda 1
. 3 . 528 . 1 1 8 . CB1 C -1.809 -4.541 2.315 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB1 . . . . . . . . . rr_2lda 1
. 3 . 529 . 1 1 8 . CD C -0.494 -0.475 4.351 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CD . . . . . . . . . rr_2lda 1
. 3 . 530 . 1 1 8 . CE C -0.143 -0.055 5.811 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CE . . . . . . . . . rr_2lda 1
. 3 . 531 . 1 1 8 . CG C -0.885 -1.930 4.146 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CG . . . . . . . . . rr_2lda 1
. 3 . 532 . 1 1 8 . HB H -2.916 -2.566 3.835 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB . . . . . . . . . rr_2lda 1
. 3 . 533 . 1 1 8 . HB1 H -2.624 -5.124 1.918 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1 . . . . . . . . . rr_2lda 1
. 3 . 534 . 1 1 8 . HB1A H -1.791 -4.632 3.392 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1A . . . . . . . . . rr_2lda 1
. 3 . 535 . 1 1 8 . HB1B H -0.873 -4.895 1.910 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1B . . . . . . . . . rr_2lda 1
. 3 . 536 . 1 1 8 . HBA H -2.466 -1.147 2.929 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HBA . . . . . . . . . rr_2lda 1
. 3 . 537 . 1 1 8 . HD H -1.315 0.140 4.007 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HD . . . . . . . . . rr_2lda 1
. 3 . 538 . 1 1 8 . HDA H 0.368 -0.270 3.728 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HDA . . . . . . . . . rr_2lda 1
. 3 . 539 . 1 1 8 . HE H -0.806 -0.431 6.573 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HE . . . . . . . . . rr_2lda 1
. 3 . 540 . 1 1 8 . HG H -0.052 -2.468 3.719 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HG . . . . . . . . . rr_2lda 1
. 3 . 541 . 1 1 8 . HGA H -1.116 -2.352 5.117 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HGA . . . . . . . . . rr_2lda 1
. 3 . 542 . 1 1 8 . HN H -0.345 -1.752 1.413 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HN . . . . . . . . . rr_2lda 1
. 3 . 543 . 1 1 8 . N N -0.854 -2.512 1.069 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 N . . . . . . . . . rr_2lda 1
. 3 . 544 . 1 1 8 . O O -4.380 -3.500 1.364 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 O . . . . . . . . . rr_2lda 1
. 3 . 545 . 1 1 9 LEU C C -4.911 -2.519 -1.643 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_2lda 1
. 3 . 546 . 1 1 9 LEU CA C -4.470 -1.402 -0.681 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_2lda 1
. 3 . 547 . 1 1 9 LEU CB C -4.171 -0.097 -1.462 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_2lda 1
. 3 . 548 . 1 1 9 LEU CD1 C -6.201 1.433 -1.101 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_2lda 1
. 3 . 549 . 1 1 9 LEU CD2 C -4.920 1.519 -3.246 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_2lda 1
. 3 . 550 . 1 1 9 LEU CG C -5.386 0.619 -2.114 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_2lda 1
. 3 . 551 . 1 1 9 LEU H H -2.478 -1.287 0.074 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_2lda 1
. 3 . 552 . 1 1 9 LEU HA H -5.291 -1.206 -0.007 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_2lda 1
. 3 . 553 . 1 1 9 LEU HB2 H -3.701 0.599 -0.783 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_2lda 1
. 3 . 554 . 1 1 9 LEU HB3 H -3.468 -0.333 -2.245 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_2lda 1
. 3 . 555 . 1 1 9 LEU HD11 H -6.858 0.772 -0.554 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_2lda 1
. 3 . 556 . 1 1 9 LEU HD12 H -6.790 2.172 -1.624 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_2lda 1
. 3 . 557 . 1 1 9 LEU HD13 H -5.532 1.927 -0.413 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_2lda 1
. 3 . 558 . 1 1 9 LEU HD21 H -4.025 1.107 -3.688 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_2lda 1
. 3 . 559 . 1 1 9 LEU HD22 H -4.710 2.504 -2.858 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_2lda 1
. 3 . 560 . 1 1 9 LEU HD23 H -5.695 1.584 -3.995 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_2lda 1
. 3 . 561 . 1 1 9 LEU HG H -6.043 -0.127 -2.538 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_2lda 1
. 3 . 562 . 1 1 9 LEU N N -3.310 -1.797 0.166 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_2lda 1
. 3 . 563 . 1 1 9 LEU O O -6.128 -2.697 -1.843 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_2lda 1
. 3 . 564 . 1 1 10 GLN C C -4.457 -5.675 -2.603 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . rr_2lda 1
. 3 . 565 . 1 1 10 GLN CA C -4.122 -4.321 -3.245 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . rr_2lda 1
. 3 . 566 . 1 1 10 GLN CB C -2.896 -4.488 -4.162 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . rr_2lda 1
. 3 . 567 . 1 1 10 GLN CD C -3.693 -3.301 -6.270 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . rr_2lda 1
. 3 . 568 . 1 1 10 GLN CG C -2.669 -3.344 -5.147 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . rr_2lda 1
. 3 . 569 . 1 1 10 GLN H H -2.973 -2.989 -2.039 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . rr_2lda 1
. 3 . 570 . 1 1 10 GLN HA H -4.962 -4.024 -3.855 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . rr_2lda 1
. 3 . 571 . 1 1 10 GLN HB2 H -2.012 -4.575 -3.550 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . rr_2lda 1
. 3 . 572 . 1 1 10 GLN HB3 H -3.013 -5.400 -4.730 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . rr_2lda 1
. 3 . 573 . 1 1 10 GLN HE21 H -2.253 -3.550 -7.625 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . rr_2lda 1
. 3 . 574 . 1 1 10 GLN HE22 H -3.857 -3.403 -8.255 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . rr_2lda 1
. 3 . 575 . 1 1 10 GLN HG2 H -2.712 -2.411 -4.609 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . rr_2lda 1
. 3 . 576 . 1 1 10 GLN HG3 H -1.687 -3.459 -5.583 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . rr_2lda 1
. 3 . 577 . 1 1 10 GLN N N -3.896 -3.233 -2.254 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . rr_2lda 1
. 3 . 578 . 1 1 10 GLN NE2 N -3.220 -3.433 -7.508 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . rr_2lda 1
. 3 . 579 . 1 1 10 GLN O O -5.342 -6.382 -3.124 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . rr_2lda 1
. 3 . 580 . 1 1 10 GLN OE1 O -4.890 -3.154 -6.029 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . rr_2lda 1
. 3 . 581 . 1 1 11 ASP C C -5.219 -7.392 -0.029 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_2lda 1
. 3 . 582 . 1 1 11 ASP CA C -3.870 -7.310 -0.758 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_2lda 1
. 3 . 583 . 1 1 11 ASP CB C -2.695 -7.518 0.219 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_2lda 1
. 3 . 584 . 1 1 11 ASP CG C -2.713 -8.878 0.899 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_2lda 1
. 3 . 585 . 1 1 11 ASP H H -3.033 -5.399 -1.179 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_2lda 1
. 3 . 586 . 1 1 11 ASP HA H -3.844 -8.099 -1.496 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_2lda 1
. 3 . 587 . 1 1 11 ASP HB2 H -1.765 -7.434 -0.325 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_2lda 1
. 3 . 588 . 1 1 11 ASP HB3 H -2.726 -6.755 0.980 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_2lda 1
. 3 . 589 . 1 1 11 ASP N N -3.714 -6.027 -1.491 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_2lda 1
. 3 . 590 . 1 1 11 ASP O O -5.526 -8.447 0.560 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_2lda 1
. 3 . 591 . 1 1 11 ASP OD1 O -2.667 -9.899 0.183 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_2lda 1
. 3 . 592 . 1 1 11 ASP OD2 O -2.772 -8.918 2.145 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD2 . . . . . . . . . rr_2lda 1
. 3 . 593 . 1 1 12 SER C C -8.429 -6.758 -0.373 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_2lda 1
. 3 . 594 . 1 1 12 SER CA C -7.345 -6.142 0.525 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_2lda 1
. 3 . 595 . 1 1 12 SER CB C -7.639 -4.663 0.862 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_2lda 1
. 3 . 596 . 1 1 12 SER H H -5.665 -5.495 -0.599 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_2lda 1
. 3 . 597 . 1 1 12 SER HA H -7.321 -6.706 1.449 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_2lda 1
. 3 . 598 . 1 1 12 SER HB2 H -7.124 -4.409 1.777 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_2lda 1
. 3 . 599 . 1 1 12 SER HB3 H -7.274 -4.027 0.067 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_2lda 1
. 3 . 600 . 1 1 12 SER HG H -9.366 -5.011 1.732 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_2lda 1
. 3 . 601 . 1 1 12 SER N N -6.008 -6.262 -0.098 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_2lda 1
. 3 . 602 . 1 1 12 SER O O -9.150 -7.659 0.056 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_2lda 1
. 3 . 603 . 1 1 12 SER OG O -9.026 -4.417 1.058 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_2lda 1
. 3 . 604 . 1 1 13 NH2 HN1 H -7.710 -5.811 -1.972 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2lda 1
. 3 . 605 . 1 1 13 NH2 HN2 H -9.081 -6.822 -2.255 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2lda 1
. 3 . 606 . 1 1 13 NH2 N N -8.404 -6.426 -1.663 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2lda 1
. 4 . 607 . 1 1 1 ACE C C 5.066 5.653 3.226 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . rr_2lda 1
. 4 . 608 . 1 1 1 ACE CH3 C 6.346 5.642 4.034 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . rr_2lda 1
. 4 . 609 . 1 1 1 ACE H1 H 6.174 6.121 4.986 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . rr_2lda 1
. 4 . 610 . 1 1 1 ACE H2 H 7.116 6.176 3.497 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . rr_2lda 1
. 4 . 611 . 1 1 1 ACE H3 H 6.661 4.622 4.196 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . rr_2lda 1
. 4 . 612 . 1 1 1 ACE O O 4.050 5.095 3.685 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . rr_2lda 1
. 4 . 613 . 1 1 2 HIS C C 3.748 5.131 0.316 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2lda 1
. 4 . 614 . 1 1 2 HIS CA C 3.999 6.448 1.078 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2lda 1
. 4 . 615 . 1 1 2 HIS CB C 4.266 7.606 0.096 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2lda 1
. 4 . 616 . 1 1 2 HIS CD2 C 2.475 9.361 -0.602 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2lda 1
. 4 . 617 . 1 1 2 HIS CE1 C 1.225 8.061 -1.848 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2lda 1
. 4 . 618 . 1 1 2 HIS CG C 3.034 8.126 -0.592 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2lda 1
. 4 . 619 . 1 1 2 HIS H H 5.990 6.725 1.765 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H . . . . . . . . . rr_2lda 1
. 4 . 620 . 1 1 2 HIS HA H 3.122 6.687 1.662 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2lda 1
. 4 . 621 . 1 1 2 HIS HB2 H 4.713 8.427 0.635 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2lda 1
. 4 . 622 . 1 1 2 HIS HB3 H 4.953 7.273 -0.667 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2lda 1
. 4 . 623 . 1 1 2 HIS HD1 H 2.367 6.385 -1.574 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2lda 1
. 4 . 624 . 1 1 2 HIS HD2 H 2.846 10.239 -0.091 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2lda 1
. 4 . 625 . 1 1 2 HIS HE1 H 0.437 7.707 -2.496 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2lda 1
. 4 . 626 . 1 1 2 HIS HE2 H 0.680 9.999 -1.481 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2lda 1
. 4 . 627 . 1 1 2 HIS N N 5.135 6.310 2.014 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2lda 1
. 4 . 628 . 1 1 2 HIS ND1 N 2.226 7.336 -1.382 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2lda 1
. 4 . 629 . 1 1 2 HIS NE2 N 1.352 9.292 -1.389 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2lda 1
. 4 . 630 . 1 1 2 HIS O O 2.612 4.903 -0.140 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2lda 1
. 4 . 631 . 1 1 3 LYS C C 4.004 1.891 0.218 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2lda 1
. 4 . 632 . 1 1 3 LYS CA C 4.801 2.979 -0.527 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2lda 1
. 4 . 633 . 1 1 3 LYS CB C 6.218 2.457 -0.829 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2lda 1
. 4 . 634 . 1 1 3 LYS CD C 8.281 2.546 -2.275 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2lda 1
. 4 . 635 . 1 1 3 LYS CE C 9.057 3.324 -3.333 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2lda 1
. 4 . 636 . 1 1 3 LYS CG C 6.937 3.193 -1.959 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2lda 1
. 4 . 637 . 1 1 3 LYS H H 5.687 4.576 0.579 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2lda 1
. 4 . 638 . 1 1 3 LYS HA H 4.305 3.157 -1.469 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2lda 1
. 4 . 639 . 1 1 3 LYS HB2 H 6.820 2.537 0.060 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2lda 1
. 4 . 640 . 1 1 3 LYS HB3 H 6.147 1.416 -1.103 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2lda 1
. 4 . 641 . 1 1 3 LYS HD2 H 8.870 2.506 -1.372 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2lda 1
. 4 . 642 . 1 1 3 LYS HD3 H 8.107 1.542 -2.636 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2lda 1
. 4 . 643 . 1 1 3 LYS HE2 H 8.454 3.401 -4.225 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2lda 1
. 4 . 644 . 1 1 3 LYS HE3 H 9.269 4.314 -2.955 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2lda 1
. 4 . 645 . 1 1 3 LYS HG2 H 6.318 3.163 -2.843 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2lda 1
. 4 . 646 . 1 1 3 LYS HG3 H 7.104 4.217 -1.668 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2lda 1
. 4 . 647 . 1 1 3 LYS HZ1 H 10.179 1.910 -4.386 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2lda 1
. 4 . 648 . 1 1 3 LYS HZ2 H 10.766 2.229 -2.832 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2lda 1
. 4 . 649 . 1 1 3 LYS HZ3 H 11.010 3.351 -4.075 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2lda 1
. 4 . 650 . 1 1 3 LYS N N 4.838 4.288 0.185 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2lda 1
. 4 . 651 . 1 1 3 LYS NZ N 10.343 2.657 -3.680 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2lda 1
. 4 . 652 . 1 1 3 LYS O O 3.190 1.180 -0.405 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2lda 1
. 4 . 653 . 1 1 4 . C C 2.066 0.572 2.145 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 C . . . . . . . . . rr_2lda 1
. 4 . 654 . 1 1 4 . CA C 3.621 0.658 2.455 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CA . . . . . . . . . rr_2lda 1
. 4 . 655 . 1 1 4 . CB C 3.824 1.052 3.983 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB . . . . . . . . . rr_2lda 1
. 4 . 656 . 1 1 4 . CB1 C 4.421 -0.653 2.139 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB1 . . . . . . . . . rr_2lda 1
. 4 . 657 . 1 1 4 . CD C 1.702 0.203 5.288 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CD . . . . . . . . . rr_2lda 1
. 4 . 658 . 1 1 4 . CE C 1.058 -0.401 6.560 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CE . . . . . . . . . rr_2lda 1
. 4 . 659 . 1 1 4 . CG C 3.228 0.150 5.139 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CG . . . . . . . . . rr_2lda 1
. 4 . 660 . 1 1 4 . HB H 3.416 2.045 4.115 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB . . . . . . . . . rr_2lda 1
. 4 . 661 . 1 1 4 . HB1 H 5.168 -0.812 2.903 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1 . . . . . . . . . rr_2lda 1
. 4 . 662 . 1 1 4 . HB1A H 4.904 -0.557 1.179 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1A . . . . . . . . . rr_2lda 1
. 4 . 663 . 1 1 4 . HB1B H 3.741 -1.492 2.117 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1B . . . . . . . . . rr_2lda 1
. 4 . 664 . 1 1 4 . HBA H 4.884 1.111 4.161 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HBA . . . . . . . . . rr_2lda 1
. 4 . 665 . 1 1 4 . HD H 1.285 -0.323 4.437 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HD . . . . . . . . . rr_2lda 1
. 4 . 666 . 1 1 4 . HDA H 1.394 1.232 5.223 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HDA . . . . . . . . . rr_2lda 1
. 4 . 667 . 1 1 4 . HE H 1.651 -0.367 7.464 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HE . . . . . . . . . rr_2lda 1
. 4 . 668 . 1 1 4 . HG H 3.678 0.458 6.074 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HG . . . . . . . . . rr_2lda 1
. 4 . 669 . 1 1 4 . HGA H 3.505 -0.874 4.945 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HGA . . . . . . . . . rr_2lda 1
. 4 . 670 . 1 1 4 . HN H 4.946 2.284 1.993 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HN . . . . . . . . . rr_2lda 1
. 4 . 671 . 1 1 4 . N N 4.269 1.715 1.581 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 N . . . . . . . . . rr_2lda 1
. 4 . 672 . 1 1 4 . O O 1.516 -0.495 1.782 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 O . . . . . . . . . rr_2lda 1
. 4 . 673 . 1 1 5 LEU C C -0.575 1.412 0.830 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2lda 1
. 4 . 674 . 1 1 5 LEU CA C -0.101 1.917 2.191 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2lda 1
. 4 . 675 . 1 1 5 LEU CB C -0.561 3.377 2.433 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2lda 1
. 4 . 676 . 1 1 5 LEU CD1 C -2.557 3.242 4.039 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2lda 1
. 4 . 677 . 1 1 5 LEU CD2 C -2.455 5.042 2.300 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2lda 1
. 4 . 678 . 1 1 5 LEU CG C -2.088 3.602 2.623 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2lda 1
. 4 . 679 . 1 1 5 LEU H H 1.881 2.539 2.675 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2lda 1
. 4 . 680 . 1 1 5 LEU HA H -0.560 1.296 2.940 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2lda 1
. 4 . 681 . 1 1 5 LEU HB2 H -0.063 3.741 3.319 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2lda 1
. 4 . 682 . 1 1 5 LEU HB3 H -0.238 3.974 1.593 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2lda 1
. 4 . 683 . 1 1 5 LEU HD11 H -2.297 2.214 4.254 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2lda 1
. 4 . 684 . 1 1 5 LEU HD12 H -3.628 3.361 4.105 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2lda 1
. 4 . 685 . 1 1 5 LEU HD13 H -2.076 3.891 4.755 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2lda 1
. 4 . 686 . 1 1 5 LEU HD21 H -3.363 5.059 1.715 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2lda 1
. 4 . 687 . 1 1 5 LEU HD22 H -1.656 5.500 1.737 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2lda 1
. 4 . 688 . 1 1 5 LEU HD23 H -2.609 5.589 3.219 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2lda 1
. 4 . 689 . 1 1 5 LEU HG H -2.620 2.964 1.932 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2lda 1
. 4 . 690 . 1 1 5 LEU N N 1.371 1.763 2.361 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2lda 1
. 4 . 691 . 1 1 5 LEU O O -1.678 0.834 0.754 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2lda 1
. 4 . 692 . 1 1 6 HIS C C -0.176 -0.341 -1.645 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . rr_2lda 1
. 4 . 693 . 1 1 6 HIS CA C 0.015 1.187 -1.618 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . rr_2lda 1
. 4 . 694 . 1 1 6 HIS CB C 1.155 1.643 -2.545 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . rr_2lda 1
. 4 . 695 . 1 1 6 HIS CD2 C 1.429 0.934 -5.035 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . rr_2lda 1
. 4 . 696 . 1 1 6 HIS CE1 C -0.282 2.025 -5.866 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . rr_2lda 1
. 4 . 697 . 1 1 6 HIS CG C 0.825 1.585 -4.011 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . rr_2lda 1
. 4 . 698 . 1 1 6 HIS H H 1.137 2.078 -0.053 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . rr_2lda 1
. 4 . 699 . 1 1 6 HIS HA H -0.903 1.655 -1.933 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . rr_2lda 1
. 4 . 700 . 1 1 6 HIS HB2 H 1.403 2.669 -2.308 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . rr_2lda 1
. 4 . 701 . 1 1 6 HIS HB3 H 2.018 1.023 -2.371 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . rr_2lda 1
. 4 . 702 . 1 1 6 HIS HD1 H -0.873 2.830 -4.080 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . rr_2lda 1
. 4 . 703 . 1 1 6 HIS HD2 H 2.309 0.310 -4.970 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . rr_2lda 1
. 4 . 704 . 1 1 6 HIS HE1 H -1.011 2.420 -6.558 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . rr_2lda 1
. 4 . 705 . 1 1 6 HIS HE2 H 0.861 0.810 -7.052 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . rr_2lda 1
. 4 . 706 . 1 1 6 HIS N N 0.289 1.623 -0.231 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . rr_2lda 1
. 4 . 707 . 1 1 6 HIS ND1 N -0.242 2.260 -4.566 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . rr_2lda 1
. 4 . 708 . 1 1 6 HIS NE2 N 0.721 1.225 -6.176 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . rr_2lda 1
. 4 . 709 . 1 1 6 HIS O O -1.073 -0.843 -2.344 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . rr_2lda 1
. 4 . 710 . 1 1 7 GLN C C -0.580 -3.042 0.005 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2lda 1
. 4 . 711 . 1 1 7 GLN CA C 0.692 -2.521 -0.695 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2lda 1
. 4 . 712 . 1 1 7 GLN CB C 1.934 -3.017 0.072 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2lda 1
. 4 . 713 . 1 1 7 GLN CD C 4.294 -3.932 -0.054 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2lda 1
. 4 . 714 . 1 1 7 GLN CG C 3.190 -3.185 -0.782 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2lda 1
. 4 . 715 . 1 1 7 GLN H H 1.367 -0.524 -0.349 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2lda 1
. 4 . 716 . 1 1 7 GLN HA H 0.716 -2.939 -1.691 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2lda 1
. 4 . 717 . 1 1 7 GLN HB2 H 2.161 -2.317 0.859 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2lda 1
. 4 . 718 . 1 1 7 GLN HB3 H 1.702 -3.972 0.517 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2lda 1
. 4 . 719 . 1 1 7 GLN HE21 H 4.419 -5.262 -1.530 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2lda 1
. 4 . 720 . 1 1 7 GLN HE22 H 5.500 -5.508 -0.206 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2lda 1
. 4 . 721 . 1 1 7 GLN HG2 H 2.933 -3.730 -1.674 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2lda 1
. 4 . 722 . 1 1 7 GLN HG3 H 3.568 -2.215 -1.054 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2lda 1
. 4 . 723 . 1 1 7 GLN N N 0.697 -1.043 -0.843 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2lda 1
. 4 . 724 . 1 1 7 GLN NE2 N 4.787 -5.010 -0.658 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2lda 1
. 4 . 725 . 1 1 7 GLN O O -1.246 -3.936 -0.538 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2lda 1
. 4 . 726 . 1 1 7 GLN OE1 O 4.709 -3.538 1.034 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2lda 1
. 4 . 727 . 1 1 8 . C C -3.386 -2.749 1.228 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 C . . . . . . . . . rr_2lda 1
. 4 . 728 . 1 1 8 . CA C -2.067 -2.882 2.086 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CA . . . . . . . . . rr_2lda 1
. 4 . 729 . 1 1 8 . CB C -2.224 -1.895 3.298 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB . . . . . . . . . rr_2lda 1
. 4 . 730 . 1 1 8 . CB1 C -1.853 -4.333 2.643 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB1 . . . . . . . . . rr_2lda 1
. 4 . 731 . 1 1 8 . CD C -1.297 -1.199 5.564 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CD . . . . . . . . . rr_2lda 1
. 4 . 732 . 1 1 8 . CE C -0.192 -0.988 6.670 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CE . . . . . . . . . rr_2lda 1
. 4 . 733 . 1 1 8 . CG C -0.950 -1.466 4.084 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CG . . . . . . . . . rr_2lda 1
. 4 . 734 . 1 1 8 . HB H -2.907 -2.346 4.004 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB . . . . . . . . . rr_2lda 1
. 4 . 735 . 1 1 8 . HB1 H -1.239 -4.288 3.532 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1 . . . . . . . . . rr_2lda 1
. 4 . 736 . 1 1 8 . HB1A H -1.361 -4.938 1.898 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1A . . . . . . . . . rr_2lda 1
. 4 . 737 . 1 1 8 . HB1B H -2.810 -4.768 2.888 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1B . . . . . . . . . rr_2lda 1
. 4 . 738 . 1 1 8 . HBA H -2.680 -0.992 2.927 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HBA . . . . . . . . . rr_2lda 1
. 4 . 739 . 1 1 8 . HD H -1.914 -2.031 5.888 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HD . . . . . . . . . rr_2lda 1
. 4 . 740 . 1 1 8 . HDA H -1.914 -0.319 5.589 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HDA . . . . . . . . . rr_2lda 1
. 4 . 741 . 1 1 8 . HE H -0.448 -1.345 7.659 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HE . . . . . . . . . rr_2lda 1
. 4 . 742 . 1 1 8 . HG H -0.559 -0.554 3.650 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HG . . . . . . . . . rr_2lda 1
. 4 . 743 . 1 1 8 . HGA H -0.210 -2.252 4.012 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HGA . . . . . . . . . rr_2lda 1
. 4 . 744 . 1 1 8 . HN H -0.306 -1.803 1.594 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HN . . . . . . . . . rr_2lda 1
. 4 . 745 . 1 1 8 . N N -0.892 -2.486 1.241 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 N . . . . . . . . . rr_2lda 1
. 4 . 746 . 1 1 8 . O O -4.373 -3.531 1.383 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 O . . . . . . . . . rr_2lda 1
. 4 . 747 . 1 1 9 LEU C C -4.865 -2.387 -1.572 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_2lda 1
. 4 . 748 . 1 1 9 LEU CA C -4.540 -1.307 -0.522 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_2lda 1
. 4 . 749 . 1 1 9 LEU CB C -4.293 0.053 -1.217 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_2lda 1
. 4 . 750 . 1 1 9 LEU CD1 C -6.367 1.486 -0.806 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_2lda 1
. 4 . 751 . 1 1 9 LEU CD2 C -5.107 1.690 -2.958 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_2lda 1
. 4 . 752 . 1 1 9 LEU CG C -5.532 0.740 -1.849 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_2lda 1
. 4 . 753 . 1 1 9 LEU H H -2.600 -1.091 0.340 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_2lda 1
. 4 . 754 . 1 1 9 LEU HA H -5.400 -1.198 0.123 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_2lda 1
. 4 . 755 . 1 1 9 LEU HB2 H -3.871 0.730 -0.488 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_2lda 1
. 4 . 756 . 1 1 9 LEU HB3 H -3.565 -0.101 -1.997 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_2lda 1
. 4 . 757 . 1 1 9 LEU HD11 H -7.409 1.224 -0.923 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_2lda 1
. 4 . 758 . 1 1 9 LEU HD12 H -6.247 2.550 -0.942 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_2lda 1
. 4 . 759 . 1 1 9 LEU HD13 H -6.036 1.209 0.184 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_2lda 1
. 4 . 760 . 1 1 9 LEU HD21 H -5.392 1.276 -3.914 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_2lda 1
. 4 . 761 . 1 1 9 LEU HD22 H -4.037 1.825 -2.927 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_2lda 1
. 4 . 762 . 1 1 9 LEU HD23 H -5.596 2.644 -2.820 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_2lda 1
. 4 . 763 . 1 1 9 LEU HG H -6.163 -0.019 -2.289 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_2lda 1
. 4 . 764 . 1 1 9 LEU N N -3.392 -1.672 0.354 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_2lda 1
. 4 . 765 . 1 1 9 LEU O O -6.052 -2.547 -1.916 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_2lda 1
. 4 . 766 . 1 1 10 GLN C C -4.325 -5.512 -2.637 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . rr_2lda 1
. 4 . 767 . 1 1 10 GLN CA C -3.909 -4.124 -3.157 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . rr_2lda 1
. 4 . 768 . 1 1 10 GLN CB C -2.597 -4.246 -3.957 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . rr_2lda 1
. 4 . 769 . 1 1 10 GLN CD C -3.310 -3.088 -6.132 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . rr_2lda 1
. 4 . 770 . 1 1 10 GLN CG C -2.344 -3.105 -4.949 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . rr_2lda 1
. 4 . 771 . 1 1 10 GLN H H -2.892 -2.847 -1.775 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . rr_2lda 1
. 4 . 772 . 1 1 10 GLN HA H -4.672 -3.783 -3.840 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . rr_2lda 1
. 4 . 773 . 1 1 10 GLN HB2 H -1.770 -4.272 -3.264 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . rr_2lda 1
. 4 . 774 . 1 1 10 GLN HB3 H -2.615 -5.175 -4.508 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . rr_2lda 1
. 4 . 775 . 1 1 10 GLN HE21 H -1.789 -3.071 -7.420 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . rr_2lda 1
. 4 . 776 . 1 1 10 GLN HE22 H -3.368 -3.058 -8.125 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . rr_2lda 1
. 4 . 777 . 1 1 10 GLN HG2 H -2.433 -2.168 -4.425 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . rr_2lda 1
. 4 . 778 . 1 1 10 GLN HG3 H -1.338 -3.205 -5.332 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . rr_2lda 1
. 4 . 779 . 1 1 10 GLN N N -3.788 -3.082 -2.096 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . rr_2lda 1
. 4 . 780 . 1 1 10 GLN NE2 N -2.767 -3.071 -7.348 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . rr_2lda 1
. 4 . 781 . 1 1 10 GLN O O -5.225 -6.129 -3.243 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . rr_2lda 1
. 4 . 782 . 1 1 10 GLN OE1 O -4.526 -3.075 -5.951 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . rr_2lda 1
. 4 . 783 . 1 1 11 ASP C C -5.225 -7.503 -0.254 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_2lda 1
. 4 . 784 . 1 1 11 ASP CA C -3.854 -7.350 -0.950 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_2lda 1
. 4 . 785 . 1 1 11 ASP CB C -2.710 -7.702 0.027 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_2lda 1
. 4 . 786 . 1 1 11 ASP CG C -2.758 -9.146 0.504 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_2lda 1
. 4 . 787 . 1 1 11 ASP H H -2.909 -5.453 -1.176 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_2lda 1
. 4 . 788 . 1 1 11 ASP HA H -3.823 -8.060 -1.765 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_2lda 1
. 4 . 789 . 1 1 11 ASP HB2 H -1.761 -7.547 -0.466 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_2lda 1
. 4 . 790 . 1 1 11 ASP HB3 H -2.764 -7.059 0.893 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_2lda 1
. 4 . 791 . 1 1 11 ASP N N -3.626 -6.005 -1.550 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_2lda 1
. 4 . 792 . 1 1 11 ASP O O -5.556 -8.644 0.131 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_2lda 1
. 4 . 793 . 1 1 11 ASP OD1 O -2.692 -10.054 -0.350 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_2lda 1
. 4 . 794 . 1 1 11 ASP OD2 O -2.862 -9.364 1.728 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD2 . . . . . . . . . rr_2lda 1
. 4 . 795 . 1 1 12 SER C C -8.477 -6.804 -0.430 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_2lda 1
. 4 . 796 . 1 1 12 SER CA C -7.348 -6.361 0.556 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_2lda 1
. 4 . 797 . 1 1 12 SER CB C -7.619 -5.005 1.257 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_2lda 1
. 4 . 798 . 1 1 12 SER H H -5.654 -5.510 -0.435 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_2lda 1
. 4 . 799 . 1 1 12 SER HA H -7.300 -7.123 1.326 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_2lda 1
. 4 . 800 . 1 1 12 SER HB2 H -8.661 -4.951 1.530 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_2lda 1
. 4 . 801 . 1 1 12 SER HB3 H -7.014 -4.932 2.150 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_2lda 1
. 4 . 802 . 1 1 12 SER HG H -8.106 -3.667 -0.088 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_2lda 1
. 4 . 803 . 1 1 12 SER N N -6.006 -6.361 -0.100 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_2lda 1
. 4 . 804 . 1 1 12 SER O O -8.732 -8.002 -0.539 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_2lda 1
. 4 . 805 . 1 1 12 SER OG O -7.319 -3.917 0.401 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_2lda 1
. 4 . 806 . 1 1 13 NH2 HN1 H -8.966 -4.941 -1.015 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2lda 1
. 4 . 807 . 1 1 13 NH2 HN2 H -9.874 -6.211 -1.742 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2lda 1
. 4 . 808 . 1 1 13 NH2 N N -9.175 -5.888 -1.135 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2lda 1
. 5 . 809 . 1 1 1 ACE C C 5.139 5.539 3.380 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . rr_2lda 1
. 5 . 810 . 1 1 1 ACE CH3 C 6.354 5.362 4.266 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . rr_2lda 1
. 5 . 811 . 1 1 1 ACE H1 H 7.076 4.735 3.763 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . rr_2lda 1
. 5 . 812 . 1 1 1 ACE H2 H 6.058 4.897 5.194 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . rr_2lda 1
. 5 . 813 . 1 1 1 ACE H3 H 6.794 6.326 4.469 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . rr_2lda 1
. 5 . 814 . 1 1 1 ACE O O 4.030 5.126 3.774 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . rr_2lda 1
. 5 . 815 . 1 1 2 HIS C C 3.957 5.183 0.369 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2lda 1
. 5 . 816 . 1 1 2 HIS CA C 4.335 6.443 1.166 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2lda 1
. 5 . 817 . 1 1 2 HIS CB C 4.788 7.564 0.213 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2lda 1
. 5 . 818 . 1 1 2 HIS CD2 C 5.545 9.997 0.760 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2lda 1
. 5 . 819 . 1 1 2 HIS CE1 C 3.794 10.614 1.927 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2lda 1
. 5 . 820 . 1 1 2 HIS CG C 4.696 8.937 0.813 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2lda 1
. 5 . 821 . 1 1 2 HIS H H 6.293 6.451 1.985 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H . . . . . . . . . rr_2lda 1
. 5 . 822 . 1 1 2 HIS HA H 3.459 6.786 1.698 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2lda 1
. 5 . 823 . 1 1 2 HIS HB2 H 5.816 7.399 -0.067 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2lda 1
. 5 . 824 . 1 1 2 HIS HB3 H 4.174 7.547 -0.674 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2lda 1
. 5 . 825 . 1 1 2 HIS HD1 H 2.822 8.820 1.771 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2lda 1
. 5 . 826 . 1 1 2 HIS HD2 H 6.496 10.036 0.245 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2lda 1
. 5 . 827 . 1 1 2 HIS HE1 H 3.107 11.205 2.516 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2lda 1
. 5 . 828 . 1 1 2 HIS HE2 H 5.374 11.888 1.657 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2lda 1
. 5 . 829 . 1 1 2 HIS N N 5.375 6.166 2.177 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2lda 1
. 5 . 830 . 1 1 2 HIS ND1 N 3.610 9.360 1.553 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2lda 1
. 5 . 831 . 1 1 2 HIS NE2 N 4.959 11.022 1.460 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2lda 1
. 5 . 832 . 1 1 2 HIS O O 2.793 5.061 -0.053 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2lda 1
. 5 . 833 . 1 1 3 LYS C C 3.963 1.929 0.134 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2lda 1
. 5 . 834 . 1 1 3 LYS CA C 4.809 2.992 -0.595 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2lda 1
. 5 . 835 . 1 1 3 LYS CB C 6.171 2.386 -0.981 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2lda 1
. 5 . 836 . 1 1 3 LYS CD C 8.206 2.443 -2.461 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2lda 1
. 5 . 837 . 1 1 3 LYS CE C 8.974 3.199 -3.543 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2lda 1
. 5 . 838 . 1 1 3 LYS CG C 6.912 3.149 -2.074 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2lda 1
. 5 . 839 . 1 1 3 LYS H H 5.854 4.471 0.536 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2lda 1
. 5 . 840 . 1 1 3 LYS HA H 4.291 3.246 -1.508 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2lda 1
. 5 . 841 . 1 1 3 LYS HB2 H 6.803 2.347 -0.109 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2lda 1
. 5 . 842 . 1 1 3 LYS HB3 H 6.008 1.378 -1.331 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2lda 1
. 5 . 843 . 1 1 3 LYS HD2 H 8.832 2.361 -1.586 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2lda 1
. 5 . 844 . 1 1 3 LYS HD3 H 7.967 1.455 -2.826 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2lda 1
. 5 . 845 . 1 1 3 LYS HE2 H 9.220 4.184 -3.175 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2lda 1
. 5 . 846 . 1 1 3 LYS HE3 H 9.887 2.660 -3.756 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2lda 1
. 5 . 847 . 1 1 3 LYS HG2 H 6.277 3.217 -2.946 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2lda 1
. 5 . 848 . 1 1 3 LYS HG3 H 7.148 4.140 -1.721 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2lda 1
. 5 . 849 . 1 1 3 LYS HZ1 H 8.831 3.373 -5.622 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2lda 1
. 5 . 850 . 1 1 3 LYS HZ2 H 7.625 4.209 -4.781 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2lda 1
. 5 . 851 . 1 1 3 LYS HZ3 H 7.548 2.525 -4.916 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2lda 1
. 5 . 852 . 1 1 3 LYS N N 4.972 4.264 0.165 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2lda 1
. 5 . 853 . 1 1 3 LYS NZ N 8.189 3.336 -4.804 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2lda 1
. 5 . 854 . 1 1 3 LYS O O 3.128 1.257 -0.504 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2lda 1
. 5 . 855 . 1 1 4 . C C 1.945 0.688 2.036 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 C . . . . . . . . . rr_2lda 1
. 5 . 856 . 1 1 4 . CA C 3.506 0.696 2.355 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CA . . . . . . . . . rr_2lda 1
. 5 . 857 . 1 1 4 . CB C 3.729 1.070 3.886 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB . . . . . . . . . rr_2lda 1
. 5 . 858 . 1 1 4 . CB1 C 4.240 -0.653 2.032 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB1 . . . . . . . . . rr_2lda 1
. 5 . 859 . 1 1 4 . CD C 1.563 0.320 5.177 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CD . . . . . . . . . rr_2lda 1
. 5 . 860 . 1 1 4 . CE C 0.911 -0.208 6.474 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CE . . . . . . . . . rr_2lda 1
. 5 . 861 . 1 1 4 . CG C 3.084 0.192 5.033 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CG . . . . . . . . . rr_2lda 1
. 5 . 862 . 1 1 4 . HB H 3.371 2.082 4.023 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB . . . . . . . . . rr_2lda 1
. 5 . 863 . 1 1 4 . HB1 H 3.757 -1.460 2.564 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1 . . . . . . . . . rr_2lda 1
. 5 . 864 . 1 1 4 . HB1A H 5.272 -0.587 2.342 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1A . . . . . . . . . rr_2lda 1
. 5 . 865 . 1 1 4 . HB1B H 4.195 -0.845 0.969 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1B . . . . . . . . . rr_2lda 1
. 5 . 866 . 1 1 4 . HBA H 4.790 1.075 4.065 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HBA . . . . . . . . . rr_2lda 1
. 5 . 867 . 1 1 4 . HD H 1.120 -0.219 4.347 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HD . . . . . . . . . rr_2lda 1
. 5 . 868 . 1 1 4 . HDA H 1.300 1.359 5.073 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HDA . . . . . . . . . rr_2lda 1
. 5 . 869 . 1 1 4 . HE H 1.490 -0.101 7.378 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HE . . . . . . . . . rr_2lda 1
. 5 . 870 . 1 1 4 . HG H 3.544 0.470 5.971 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HG . . . . . . . . . rr_2lda 1
. 5 . 871 . 1 1 4 . HGA H 3.309 -0.842 4.831 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HGA . . . . . . . . . rr_2lda 1
. 5 . 872 . 1 1 4 . HN H 4.899 2.272 1.923 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HN . . . . . . . . . rr_2lda 1
. 5 . 873 . 1 1 4 . N N 4.205 1.732 1.497 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 N . . . . . . . . . rr_2lda 1
. 5 . 874 . 1 1 4 . O O 1.358 -0.333 1.607 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 O . . . . . . . . . rr_2lda 1
. 5 . 875 . 1 1 5 LEU C C -0.699 1.634 0.810 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2lda 1
. 5 . 876 . 1 1 5 LEU CA C -0.174 2.106 2.169 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2lda 1
. 5 . 877 . 1 1 5 LEU CB C -0.555 3.580 2.434 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2lda 1
. 5 . 878 . 1 1 5 LEU CD1 C -2.478 3.543 4.122 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2lda 1
. 5 . 879 . 1 1 5 LEU CD2 C -2.379 5.318 2.353 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2lda 1
. 5 . 880 . 1 1 5 LEU CG C -2.059 3.868 2.682 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2lda 1
. 5 . 881 . 1 1 5 LEU H H 1.826 2.620 2.693 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2lda 1
. 5 . 882 . 1 1 5 LEU HA H -0.649 1.502 2.924 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2lda 1
. 5 . 883 . 1 1 5 LEU HB2 H -0.008 3.913 3.303 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2lda 1
. 5 . 884 . 1 1 5 LEU HB3 H -0.237 4.166 1.586 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2lda 1
. 5 . 885 . 1 1 5 LEU HD11 H -2.172 2.534 4.367 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2lda 1
. 5 . 886 . 1 1 5 LEU HD12 H -3.550 3.624 4.213 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2lda 1
. 5 . 887 . 1 1 5 LEU HD13 H -2.004 4.236 4.800 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2lda 1
. 5 . 888 . 1 1 5 LEU HD21 H -1.518 5.783 1.896 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2lda 1
. 5 . 889 . 1 1 5 LEU HD22 H -2.634 5.845 3.260 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2lda 1
. 5 . 890 . 1 1 5 LEU HD23 H -3.213 5.355 1.668 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2lda 1
. 5 . 891 . 1 1 5 LEU HG H -2.646 3.245 2.024 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2lda 1
. 5 . 892 . 1 1 5 LEU N N 1.290 1.886 2.325 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2lda 1
. 5 . 893 . 1 1 5 LEU O O -1.864 1.188 0.740 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2lda 1
. 5 . 894 . 1 1 6 HIS C C -0.327 -0.249 -1.615 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . rr_2lda 1
. 5 . 895 . 1 1 6 HIS CA C -0.119 1.265 -1.617 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . rr_2lda 1
. 5 . 896 . 1 1 6 HIS CB C 0.997 1.667 -2.587 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . rr_2lda 1
. 5 . 897 . 1 1 6 HIS CD2 C 0.729 3.401 -4.508 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . rr_2lda 1
. 5 . 898 . 1 1 6 HIS CE1 C 0.415 5.192 -3.286 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . rr_2lda 1
. 5 . 899 . 1 1 6 HIS CG C 0.788 3.019 -3.207 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . rr_2lda 1
. 5 . 900 . 1 1 6 HIS H H 1.094 2.053 -0.065 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . rr_2lda 1
. 5 . 901 . 1 1 6 HIS HA H -1.038 1.746 -1.919 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . rr_2lda 1
. 5 . 902 . 1 1 6 HIS HB2 H 1.935 1.688 -2.054 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . rr_2lda 1
. 5 . 903 . 1 1 6 HIS HB3 H 1.054 0.940 -3.382 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . rr_2lda 1
. 5 . 904 . 1 1 6 HIS HD1 H 0.585 4.225 -1.489 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . rr_2lda 1
. 5 . 905 . 1 1 6 HIS HD2 H 0.845 2.760 -5.372 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . rr_2lda 1
. 5 . 906 . 1 1 6 HIS HE1 H 0.222 6.212 -2.990 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . rr_2lda 1
. 5 . 907 . 1 1 6 HIS HE2 H 0.263 5.277 -5.324 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . rr_2lda 1
. 5 . 908 . 1 1 6 HIS N N 0.194 1.710 -0.244 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . rr_2lda 1
. 5 . 909 . 1 1 6 HIS ND1 N 0.591 4.167 -2.467 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . rr_2lda 1
. 5 . 910 . 1 1 6 HIS NE2 N 0.497 4.754 -4.528 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . rr_2lda 1
. 5 . 911 . 1 1 6 HIS O O -1.278 -0.751 -2.239 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . rr_2lda 1
. 5 . 912 . 1 1 7 GLN C C -0.668 -2.968 -0.036 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2lda 1
. 5 . 913 . 1 1 7 GLN CA C 0.608 -2.423 -0.721 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2lda 1
. 5 . 914 . 1 1 7 GLN CB C 1.858 -2.873 0.058 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2lda 1
. 5 . 915 . 1 1 7 GLN CD C 3.096 -4.200 -1.726 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2lda 1
. 5 . 916 . 1 1 7 GLN CG C 3.122 -3.002 -0.794 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2lda 1
. 5 . 917 . 1 1 7 GLN H H 1.310 -0.428 -0.442 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2lda 1
. 5 . 918 . 1 1 7 GLN HA H 0.660 -2.846 -1.713 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2lda 1
. 5 . 919 . 1 1 7 GLN HB2 H 2.058 -2.160 0.841 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2lda 1
. 5 . 920 . 1 1 7 GLN HB3 H 1.657 -3.832 0.508 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2lda 1
. 5 . 921 . 1 1 7 GLN HE21 H 4.676 -4.988 -0.810 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2lda 1
. 5 . 922 . 1 1 7 GLN HE22 H 4.030 -5.907 -2.120 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2lda 1
. 5 . 923 . 1 1 7 GLN HG2 H 3.231 -2.115 -1.394 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2lda 1
. 5 . 924 . 1 1 7 GLN HG3 H 3.975 -3.094 -0.138 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2lda 1
. 5 . 925 . 1 1 7 GLN N N 0.600 -0.948 -0.880 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2lda 1
. 5 . 926 . 1 1 7 GLN NE2 N 4.029 -5.125 -1.532 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2lda 1
. 5 . 927 . 1 1 7 GLN O O -1.363 -3.805 -0.631 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2lda 1
. 5 . 928 . 1 1 7 GLN OE1 O 2.247 -4.292 -2.612 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2lda 1
. 5 . 929 . 1 1 8 . C C -3.446 -2.919 1.249 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 C . . . . . . . . . rr_2lda 1
. 5 . 930 . 1 1 8 . CA C -2.098 -2.951 2.090 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CA . . . . . . . . . rr_2lda 1
. 5 . 931 . 1 1 8 . CB C -2.314 -1.978 3.303 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB . . . . . . . . . rr_2lda 1
. 5 . 932 . 1 1 8 . CB1 C -1.773 -4.371 2.645 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB1 . . . . . . . . . rr_2lda 1
. 5 . 933 . 1 1 8 . CD C -1.415 -1.118 5.518 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CD . . . . . . . . . rr_2lda 1
. 5 . 934 . 1 1 8 . CE C -0.326 -0.809 6.611 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CE . . . . . . . . . rr_2lda 1
. 5 . 935 . 1 1 8 . CG C -1.066 -1.431 4.052 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CG . . . . . . . . . rr_2lda 1
. 5 . 936 . 1 1 8 . HB H -2.932 -2.490 4.028 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB . . . . . . . . . rr_2lda 1
. 5 . 937 . 1 1 8 . HB1 H -0.744 -4.616 2.423 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1 . . . . . . . . . rr_2lda 1
. 5 . 938 . 1 1 8 . HB1A H -2.424 -5.096 2.186 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1A . . . . . . . . . rr_2lda 1
. 5 . 939 . 1 1 8 . HB1B H -1.922 -4.381 3.717 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1B . . . . . . . . . rr_2lda 1
. 5 . 940 . 1 1 8 . HBA H -2.865 -1.123 2.945 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HBA . . . . . . . . . rr_2lda 1
. 5 . 941 . 1 1 8 . HD H -1.992 -1.964 5.877 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HD . . . . . . . . . rr_2lda 1
. 5 . 942 . 1 1 8 . HDA H -2.074 -0.270 5.507 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HDA . . . . . . . . . rr_2lda 1
. 5 . 943 . 1 1 8 . HE H -0.584 -1.101 7.619 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HE . . . . . . . . . rr_2lda 1
. 5 . 944 . 1 1 8 . HG H -0.739 -0.518 3.575 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HG . . . . . . . . . rr_2lda 1
. 5 . 945 . 1 1 8 . HGA H -0.277 -2.168 4.008 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HGA . . . . . . . . . rr_2lda 1
. 5 . 946 . 1 1 8 . HN H -0.310 -1.878 1.639 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HN . . . . . . . . . rr_2lda 1
. 5 . 947 . 1 1 8 . N N -0.936 -2.507 1.244 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 N . . . . . . . . . rr_2lda 1
. 5 . 948 . 1 1 8 . O O -4.370 -3.768 1.431 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 O . . . . . . . . . rr_2lda 1
. 5 . 949 . 1 1 9 LEU C C -5.035 -2.683 -1.524 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_2lda 1
. 5 . 950 . 1 1 9 LEU CA C -4.750 -1.578 -0.484 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_2lda 1
. 5 . 951 . 1 1 9 LEU CB C -4.600 -0.210 -1.194 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_2lda 1
. 5 . 952 . 1 1 9 LEU CD1 C -6.742 1.104 -0.768 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_2lda 1
. 5 . 953 . 1 1 9 LEU CD2 C -5.521 1.364 -2.935 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_2lda 1
. 5 . 954 . 1 1 9 LEU CG C -5.882 0.398 -1.816 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_2lda 1
. 5 . 955 . 1 1 9 LEU H H -2.816 -1.213 0.337 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_2lda 1
. 5 . 956 . 1 1 9 LEU HA H -5.601 -1.521 0.178 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_2lda 1
. 5 . 957 . 1 1 9 LEU HB2 H -4.212 0.498 -0.478 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_2lda 1
. 5 . 958 . 1 1 9 LEU HB3 H -3.874 -0.325 -1.983 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_2lda 1
. 5 . 959 . 1 1 9 LEU HD11 H -6.605 2.172 -0.852 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_2lda 1
. 5 . 960 . 1 1 9 LEU HD12 H -6.448 0.780 0.218 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_2lda 1
. 5 . 961 . 1 1 9 LEU HD13 H -7.781 0.860 -0.933 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_2lda 1
. 5 . 962 . 1 1 9 LEU HD21 H -4.452 1.517 -2.949 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_2lda 1
. 5 . 963 . 1 1 9 LEU HD22 H -6.018 2.309 -2.769 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_2lda 1
. 5 . 964 . 1 1 9 LEU HD23 H -5.839 0.952 -3.882 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_2lda 1
. 5 . 965 . 1 1 9 LEU HG H -6.474 -0.397 -2.244 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_2lda 1
. 5 . 966 . 1 1 9 LEU N N -3.555 -1.854 0.369 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_2lda 1
. 5 . 967 . 1 1 9 LEU O O -6.221 -2.956 -1.791 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_2lda 1
. 5 . 968 . 1 1 10 GLN C C -4.261 -5.720 -2.657 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . rr_2lda 1
. 5 . 969 . 1 1 10 GLN CA C -4.024 -4.306 -3.195 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . rr_2lda 1
. 5 . 970 . 1 1 10 GLN CB C -2.771 -4.286 -4.081 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . rr_2lda 1
. 5 . 971 . 1 1 10 GLN CD C -1.392 -3.002 -5.780 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . rr_2lda 1
. 5 . 972 . 1 1 10 GLN CG C -2.694 -3.073 -5.000 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . rr_2lda 1
. 5 . 973 . 1 1 10 GLN H H -3.047 -2.951 -1.867 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . rr_2lda 1
. 5 . 974 . 1 1 10 GLN HA H -4.872 -4.046 -3.812 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . rr_2lda 1
. 5 . 975 . 1 1 10 GLN HB2 H -1.894 -4.289 -3.453 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . rr_2lda 1
. 5 . 976 . 1 1 10 GLN HB3 H -2.765 -5.175 -4.695 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . rr_2lda 1
. 5 . 977 . 1 1 10 GLN HE21 H -2.389 -2.881 -7.500 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . rr_2lda 1
. 5 . 978 . 1 1 10 GLN HE22 H -0.665 -2.853 -7.630 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . rr_2lda 1
. 5 . 979 . 1 1 10 GLN HG2 H -3.512 -3.122 -5.705 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . rr_2lda 1
. 5 . 980 . 1 1 10 GLN HG3 H -2.789 -2.179 -4.403 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . rr_2lda 1
. 5 . 981 . 1 1 10 GLN N N -3.934 -3.266 -2.130 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . rr_2lda 1
. 5 . 982 . 1 1 10 GLN NE2 N -1.493 -2.903 -7.104 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . rr_2lda 1
. 5 . 983 . 1 1 10 GLN O O -5.006 -6.484 -3.306 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . rr_2lda 1
. 5 . 984 . 1 1 10 GLN OE1 O -0.308 -3.022 -5.199 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . rr_2lda 1
. 5 . 985 . 1 1 11 ASP C C -5.144 -7.584 -0.278 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_2lda 1
. 5 . 986 . 1 1 11 ASP CA C -3.728 -7.376 -0.821 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_2lda 1
. 5 . 987 . 1 1 11 ASP CB C -2.675 -7.527 0.296 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_2lda 1
. 5 . 988 . 1 1 11 ASP CG C -2.661 -8.913 0.922 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_2lda 1
. 5 . 989 . 1 1 11 ASP H H -3.056 -5.372 -1.056 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_2lda 1
. 5 . 990 . 1 1 11 ASP HA H -3.544 -8.127 -1.577 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_2lda 1
. 5 . 991 . 1 1 11 ASP HB2 H -1.694 -7.340 -0.116 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_2lda 1
. 5 . 992 . 1 1 11 ASP HB3 H -2.874 -6.805 1.072 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_2lda 1
. 5 . 993 . 1 1 11 ASP N N -3.616 -6.051 -1.479 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_2lda 1
. 5 . 994 . 1 1 11 ASP O O -5.612 -8.737 -0.213 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_2lda 1
. 5 . 995 . 1 1 11 ASP OD1 O -3.708 -9.334 1.456 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_2lda 1
. 5 . 996 . 1 1 11 ASP OD2 O -1.603 -9.573 0.878 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD2 . . . . . . . . . rr_2lda 1
. 5 . 997 . 1 1 12 SER C C -8.199 -6.427 -0.521 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_2lda 1
. 5 . 998 . 1 1 12 SER CA C -7.183 -6.398 0.622 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_2lda 1
. 5 . 999 . 1 1 12 SER CB C -7.390 -5.148 1.488 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_2lda 1
. 5 . 1000 . 1 1 12 SER H H -5.340 -5.579 -0.021 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_2lda 1
. 5 . 1001 . 1 1 12 SER HA H -7.325 -7.280 1.232 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_2lda 1
. 5 . 1002 . 1 1 12 SER HB2 H -8.351 -5.201 1.978 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_2lda 1
. 5 . 1003 . 1 1 12 SER HB3 H -6.612 -5.097 2.237 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_2lda 1
. 5 . 1004 . 1 1 12 SER HG H -8.192 -3.836 0.274 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_2lda 1
. 5 . 1005 . 1 1 12 SER N N -5.806 -6.432 0.090 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_2lda 1
. 5 . 1006 . 1 1 12 SER O O -9.382 -6.684 -0.304 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_2lda 1
. 5 . 1007 . 1 1 12 SER OG O -7.342 -3.969 0.703 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_2lda 1
. 5 . 1008 . 1 1 13 NH2 HN1 H -6.778 -5.977 -1.848 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2lda 1
. 5 . 1009 . 1 1 13 NH2 HN2 H -8.366 -6.183 -2.492 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2lda 1
. 5 . 1010 . 1 1 13 NH2 N N -7.734 -6.170 -1.744 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2lda 1
. 6 . 1011 . 1 1 1 ACE C C 5.381 5.522 3.373 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . rr_2lda 1
. 6 . 1012 . 1 1 1 ACE CH3 C 6.659 5.337 4.165 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . rr_2lda 1
. 6 . 1013 . 1 1 1 ACE H1 H 6.597 4.427 4.743 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . rr_2lda 1
. 6 . 1014 . 1 1 1 ACE H2 H 6.793 6.177 4.831 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . rr_2lda 1
. 6 . 1015 . 1 1 1 ACE H3 H 7.498 5.278 3.488 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . rr_2lda 1
. 6 . 1016 . 1 1 1 ACE O O 4.304 5.116 3.851 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . rr_2lda 1
. 6 . 1017 . 1 1 2 HIS C C 3.947 5.199 0.471 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2lda 1
. 6 . 1018 . 1 1 2 HIS CA C 4.406 6.457 1.240 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2lda 1
. 6 . 1019 . 1 1 2 HIS CB C 4.807 7.583 0.263 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2lda 1
. 6 . 1020 . 1 1 2 HIS CD2 C 3.265 9.578 -0.388 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2lda 1
. 6 . 1021 . 1 1 2 HIS CE1 C 1.793 8.468 -1.573 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2lda 1
. 6 . 1022 . 1 1 2 HIS CG C 3.640 8.275 -0.387 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2lda 1
. 6 . 1023 . 1 1 2 HIS H H 6.425 6.454 1.896 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H . . . . . . . . . rr_2lda 1
. 6 . 1024 . 1 1 2 HIS HA H 3.581 6.811 1.844 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2lda 1
. 6 . 1025 . 1 1 2 HIS HB2 H 5.373 8.330 0.801 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2lda 1
. 6 . 1026 . 1 1 2 HIS HB3 H 5.426 7.173 -0.520 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2lda 1
. 6 . 1027 . 1 1 2 HIS HD1 H 2.691 6.646 -1.328 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2lda 1
. 6 . 1028 . 1 1 2 HIS HD2 H 3.778 10.395 0.102 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2lda 1
. 6 . 1029 . 1 1 2 HIS HE1 H 0.935 8.229 -2.184 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2lda 1
. 6 . 1030 . 1 1 2 HIS HE2 H 1.541 10.463 -1.194 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2lda 1
. 6 . 1031 . 1 1 2 HIS N N 5.525 6.161 2.157 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2lda 1
. 6 . 1032 . 1 1 2 HIS ND1 N 2.697 7.608 -1.139 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2lda 1
. 6 . 1033 . 1 1 2 HIS NE2 N 2.114 9.670 -1.132 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2lda 1
. 6 . 1034 . 1 1 2 HIS O O 2.737 5.077 0.197 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2lda 1
. 6 . 1035 . 1 1 3 LYS C C 3.916 1.944 0.105 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2lda 1
. 6 . 1036 . 1 1 3 LYS CA C 4.671 3.047 -0.674 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2lda 1
. 6 . 1037 . 1 1 3 LYS CB C 5.957 2.474 -1.323 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2lda 1
. 6 . 1038 . 1 1 3 LYS CD C 8.213 1.388 -1.133 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2lda 1
. 6 . 1039 . 1 1 3 LYS CE C 9.300 0.866 -0.198 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2lda 1
. 6 . 1040 . 1 1 3 LYS CG C 7.102 2.113 -0.382 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2lda 1
. 6 . 1041 . 1 1 3 LYS H H 5.862 4.500 0.348 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2lda 1
. 6 . 1042 . 1 1 3 LYS HA H 4.023 3.350 -1.481 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2lda 1
. 6 . 1043 . 1 1 3 LYS HB2 H 5.693 1.578 -1.858 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2lda 1
. 6 . 1044 . 1 1 3 LYS HB3 H 6.326 3.197 -2.034 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2lda 1
. 6 . 1045 . 1 1 3 LYS HD2 H 7.786 0.554 -1.667 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2lda 1
. 6 . 1046 . 1 1 3 LYS HD3 H 8.660 2.075 -1.838 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2lda 1
. 6 . 1047 . 1 1 3 LYS HE2 H 10.058 0.377 -0.793 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2lda 1
. 6 . 1048 . 1 1 3 LYS HE3 H 9.743 1.699 0.327 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2lda 1
. 6 . 1049 . 1 1 3 LYS HG2 H 7.511 3.015 0.039 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2lda 1
. 6 . 1050 . 1 1 3 LYS HG3 H 6.734 1.469 0.401 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2lda 1
. 6 . 1051 . 1 1 3 LYS HZ1 H 8.229 0.389 1.533 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2lda 1
. 6 . 1052 . 1 1 3 LYS HZ2 H 9.551 -0.626 1.245 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2lda 1
. 6 . 1053 . 1 1 3 LYS HZ3 H 8.142 -0.794 0.325 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2lda 1
. 6 . 1054 . 1 1 3 LYS N N 4.937 4.293 0.105 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2lda 1
. 6 . 1055 . 1 1 3 LYS NZ N 8.768 -0.110 0.796 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2lda 1
. 6 . 1056 . 1 1 3 LYS O O 3.140 1.186 -0.512 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2lda 1
. 6 . 1057 . 1 1 4 . C C 1.946 0.707 2.067 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 C . . . . . . . . . rr_2lda 1
. 6 . 1058 . 1 1 4 . CA C 3.506 0.777 2.373 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CA . . . . . . . . . rr_2lda 1
. 6 . 1059 . 1 1 4 . CB C 3.735 1.179 3.899 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB . . . . . . . . . rr_2lda 1
. 6 . 1060 . 1 1 4 . CB1 C 4.281 -0.557 2.074 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB1 . . . . . . . . . rr_2lda 1
. 6 . 1061 . 1 1 4 . CD C 1.574 0.490 5.222 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CD . . . . . . . . . rr_2lda 1
. 6 . 1062 . 1 1 4 . CE C 0.893 -0.122 6.469 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CE . . . . . . . . . rr_2lda 1
. 6 . 1063 . 1 1 4 . CG C 3.089 0.317 5.056 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CG . . . . . . . . . rr_2lda 1
. 6 . 1064 . 1 1 4 . HB H 3.377 2.193 4.021 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB . . . . . . . . . rr_2lda 1
. 6 . 1065 . 1 1 4 . HB1 H 4.740 -0.496 1.097 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1 . . . . . . . . . rr_2lda 1
. 6 . 1066 . 1 1 4 . HB1A H 3.590 -1.386 2.094 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1A . . . . . . . . . rr_2lda 1
. 6 . 1067 . 1 1 4 . HB1B H 5.044 -0.707 2.824 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1B . . . . . . . . . rr_2lda 1
. 6 . 1068 . 1 1 4 . HBA H 4.797 1.186 4.077 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HBA . . . . . . . . . rr_2lda 1
. 6 . 1069 . 1 1 4 . HD H 1.108 0.049 4.349 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HD . . . . . . . . . rr_2lda 1
. 6 . 1070 . 1 1 4 . HDA H 1.357 1.544 5.217 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HDA . . . . . . . . . rr_2lda 1
. 6 . 1071 . 1 1 4 . HE H 1.472 -0.122 7.381 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HE . . . . . . . . . rr_2lda 1
. 6 . 1072 . 1 1 4 . HG H 3.572 0.585 5.988 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HG . . . . . . . . . rr_2lda 1
. 6 . 1073 . 1 1 4 . HGA H 3.284 -0.724 4.853 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HGA . . . . . . . . . rr_2lda 1
. 6 . 1074 . 1 1 4 . HN H 4.773 2.444 1.898 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HN . . . . . . . . . rr_2lda 1
. 6 . 1075 . 1 1 4 . N N 4.146 1.826 1.483 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 N . . . . . . . . . rr_2lda 1
. 6 . 1076 . 1 1 4 . O O 1.390 -0.337 1.653 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 O . . . . . . . . . rr_2lda 1
. 6 . 1077 . 1 1 5 LEU C C -0.744 1.592 0.865 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2lda 1
. 6 . 1078 . 1 1 5 LEU CA C -0.223 2.044 2.230 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2lda 1
. 6 . 1079 . 1 1 5 LEU CB C -0.646 3.502 2.544 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2lda 1
. 6 . 1080 . 1 1 5 LEU CD1 C -2.644 3.342 4.140 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2lda 1
. 6 . 1081 . 1 1 5 LEU CD2 C -2.470 5.238 2.511 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2lda 1
. 6 . 1082 . 1 1 5 LEU CG C -2.162 3.769 2.747 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2lda 1
. 6 . 1083 . 1 1 5 LEU H H 1.761 2.633 2.725 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2lda 1
. 6 . 1084 . 1 1 5 LEU HA H -0.669 1.401 2.971 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2lda 1
. 6 . 1085 . 1 1 5 LEU HB2 H -0.137 3.806 3.447 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2lda 1
. 6 . 1086 . 1 1 5 LEU HB3 H -0.303 4.130 1.735 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2lda 1
. 6 . 1087 . 1 1 5 LEU HD11 H -3.666 2.996 4.076 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2lda 1
. 6 . 1088 . 1 1 5 LEU HD12 H -2.590 4.182 4.814 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2lda 1
. 6 . 1089 . 1 1 5 LEU HD13 H -2.017 2.542 4.507 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2lda 1
. 6 . 1090 . 1 1 5 LEU HD21 H -3.491 5.442 2.795 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2lda 1
. 6 . 1091 . 1 1 5 LEU HD22 H -2.333 5.470 1.465 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2lda 1
. 6 . 1092 . 1 1 5 LEU HD23 H -1.803 5.845 3.105 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2lda 1
. 6 . 1093 . 1 1 5 LEU HG H -2.718 3.196 2.021 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2lda 1
. 6 . 1094 . 1 1 5 LEU N N 1.249 1.878 2.363 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2lda 1
. 6 . 1095 . 1 1 5 LEU O O -1.928 1.204 0.776 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2lda 1
. 6 . 1096 . 1 1 6 HIS C C -0.331 -0.296 -1.589 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . rr_2lda 1
. 6 . 1097 . 1 1 6 HIS CA C -0.149 1.223 -1.556 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . rr_2lda 1
. 6 . 1098 . 1 1 6 HIS CB C 0.960 1.684 -2.512 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . rr_2lda 1
. 6 . 1099 . 1 1 6 HIS CD2 C 0.526 2.720 -4.857 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . rr_2lda 1
. 6 . 1100 . 1 1 6 HIS CE1 C -0.142 0.906 -5.889 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . rr_2lda 1
. 6 . 1101 . 1 1 6 HIS CG C 0.561 1.702 -3.958 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . rr_2lda 1
. 6 . 1102 . 1 1 6 HIS H H 1.072 1.947 0.019 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . rr_2lda 1
. 6 . 1103 . 1 1 6 HIS HA H -1.081 1.690 -1.837 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . rr_2lda 1
. 6 . 1104 . 1 1 6 HIS HB2 H 1.256 2.688 -2.244 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . rr_2lda 1
. 6 . 1105 . 1 1 6 HIS HB3 H 1.808 1.027 -2.409 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . rr_2lda 1
. 6 . 1106 . 1 1 6 HIS HD1 H 0.054 -0.321 -4.263 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . rr_2lda 1
. 6 . 1107 . 1 1 6 HIS HD2 H 0.799 3.752 -4.675 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . rr_2lda 1
. 6 . 1108 . 1 1 6 HIS HE1 H -0.494 0.233 -6.654 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . rr_2lda 1
. 6 . 1109 . 1 1 6 HIS HE2 H -0.113 2.711 -6.855 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . rr_2lda 1
. 6 . 1110 . 1 1 6 HIS N N 0.164 1.637 -0.174 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . rr_2lda 1
. 6 . 1111 . 1 1 6 HIS ND1 N 0.136 0.581 -4.638 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . rr_2lda 1
. 6 . 1112 . 1 1 6 HIS NE2 N 0.086 2.196 -6.045 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . rr_2lda 1
. 6 . 1113 . 1 1 6 HIS O O -1.270 -0.798 -2.231 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . rr_2lda 1
. 6 . 1114 . 1 1 7 GLN C C -0.593 -3.039 0.024 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2lda 1
. 6 . 1115 . 1 1 7 GLN CA C 0.627 -2.479 -0.736 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2lda 1
. 6 . 1116 . 1 1 7 GLN CB C 1.920 -2.940 -0.040 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2lda 1
. 6 . 1117 . 1 1 7 GLN CD C 3.082 -4.386 -1.757 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2lda 1
. 6 . 1118 . 1 1 7 GLN CG C 3.118 -3.093 -0.970 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2lda 1
. 6 . 1119 . 1 1 7 GLN H H 1.300 -0.481 -0.410 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2lda 1
. 6 . 1120 . 1 1 7 GLN HA H 0.615 -2.886 -1.736 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2lda 1
. 6 . 1121 . 1 1 7 GLN HB2 H 2.182 -2.229 0.725 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2lda 1
. 6 . 1122 . 1 1 7 GLN HB3 H 1.736 -3.895 0.427 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2lda 1
. 6 . 1123 . 1 1 7 GLN HE21 H 4.844 -4.925 -1.003 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2lda 1
. 6 . 1124 . 1 1 7 GLN HE22 H 4.121 -6.044 -2.098 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2lda 1
. 6 . 1125 . 1 1 7 GLN HG2 H 3.127 -2.274 -1.669 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2lda 1
. 6 . 1126 . 1 1 7 GLN HG3 H 4.023 -3.070 -0.379 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2lda 1
. 6 . 1127 . 1 1 7 GLN N N 0.601 -1.000 -0.863 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2lda 1
. 6 . 1128 . 1 1 7 GLN NE2 N 4.121 -5.201 -1.605 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2lda 1
. 6 . 1129 . 1 1 7 GLN O O -1.160 -4.054 -0.406 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2lda 1
. 6 . 1130 . 1 1 7 GLN OE1 O 2.135 -4.651 -2.495 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2lda 1
. 6 . 1131 . 1 1 8 . C C -3.442 -2.795 1.216 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 C . . . . . . . . . rr_2lda 1
. 6 . 1132 . 1 1 8 . CA C -2.115 -2.781 2.073 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CA . . . . . . . . . rr_2lda 1
. 6 . 1133 . 1 1 8 . CB C -2.335 -1.706 3.198 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB . . . . . . . . . rr_2lda 1
. 6 . 1134 . 1 1 8 . CB1 C -1.817 -4.168 2.752 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB1 . . . . . . . . . rr_2lda 1
. 6 . 1135 . 1 1 8 . CD C -1.463 -0.835 5.422 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CD . . . . . . . . . rr_2lda 1
. 6 . 1136 . 1 1 8 . CE C -0.372 -0.676 6.548 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CE . . . . . . . . . rr_2lda 1
. 6 . 1137 . 1 1 8 . CG C -1.092 -1.147 3.958 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CG . . . . . . . . . rr_2lda 1
. 6 . 1138 . 1 1 8 . HB H -3.004 -2.132 3.932 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB . . . . . . . . . rr_2lda 1
. 6 . 1139 . 1 1 8 . HB1 H -1.352 -4.826 2.034 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1 . . . . . . . . . rr_2lda 1
. 6 . 1140 . 1 1 8 . HB1A H -2.742 -4.605 3.095 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1A . . . . . . . . . rr_2lda 1
. 6 . 1141 . 1 1 8 . HB1B H -1.154 -4.021 3.593 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1B . . . . . . . . . rr_2lda 1
. 6 . 1142 . 1 1 8 . HBA H -2.833 -0.860 2.749 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HBA . . . . . . . . . rr_2lda 1
. 6 . 1143 . 1 1 8 . HD H -2.140 -1.621 5.742 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HD . . . . . . . . . rr_2lda 1
. 6 . 1144 . 1 1 8 . HDA H -2.022 0.084 5.417 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HDA . . . . . . . . . rr_2lda 1
. 6 . 1145 . 1 1 8 . HE H -0.652 -1.046 7.525 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HE . . . . . . . . . rr_2lda 1
. 6 . 1146 . 1 1 8 . HG H -0.766 -0.231 3.480 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HG . . . . . . . . . rr_2lda 1
. 6 . 1147 . 1 1 8 . HGA H -0.299 -1.880 3.924 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HGA . . . . . . . . . rr_2lda 1
. 6 . 1148 . 1 1 8 . HN H -0.462 -1.597 1.444 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HN . . . . . . . . . rr_2lda 1
. 6 . 1149 . 1 1 8 . N N -0.973 -2.374 1.184 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 N . . . . . . . . . rr_2lda 1
. 6 . 1150 . 1 1 8 . O O -4.367 -3.635 1.411 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 O . . . . . . . . . rr_2lda 1
. 6 . 1151 . 1 1 9 LEU C C -4.994 -2.635 -1.589 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_2lda 1
. 6 . 1152 . 1 1 9 LEU CA C -4.703 -1.505 -0.578 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_2lda 1
. 6 . 1153 . 1 1 9 LEU CB C -4.521 -0.158 -1.317 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_2lda 1
. 6 . 1154 . 1 1 9 LEU CD1 C -6.672 1.177 -0.961 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_2lda 1
. 6 . 1155 . 1 1 9 LEU CD2 C -5.365 1.433 -3.071 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_2lda 1
. 6 . 1156 . 1 1 9 LEU CG C -5.778 0.462 -1.977 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_2lda 1
. 6 . 1157 . 1 1 9 LEU H H -2.786 -1.121 0.269 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_2lda 1
. 6 . 1158 . 1 1 9 LEU HA H -5.562 -1.416 0.069 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_2lda 1
. 6 . 1159 . 1 1 9 LEU HB2 H -4.133 0.560 -0.610 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_2lda 1
. 6 . 1160 . 1 1 9 LEU HB3 H -3.781 -0.302 -2.090 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_2lda 1
. 6 . 1161 . 1 1 9 LEU HD11 H -7.506 0.540 -0.704 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_2lda 1
. 6 . 1162 . 1 1 9 LEU HD12 H -7.041 2.096 -1.392 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_2lda 1
. 6 . 1163 . 1 1 9 LEU HD13 H -6.101 1.400 -0.072 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_2lda 1
. 6 . 1164 . 1 1 9 LEU HD21 H -6.248 1.837 -3.544 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_2lda 1
. 6 . 1165 . 1 1 9 LEU HD22 H -4.767 0.916 -3.806 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_2lda 1
. 6 . 1166 . 1 1 9 LEU HD23 H -4.789 2.237 -2.638 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_2lda 1
. 6 . 1167 . 1 1 9 LEU HG H -6.360 -0.325 -2.434 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_2lda 1
. 6 . 1168 . 1 1 9 LEU N N -3.530 -1.761 0.303 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_2lda 1
. 6 . 1169 . 1 1 9 LEU O O -6.185 -2.905 -1.843 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_2lda 1
. 6 . 1170 . 1 1 10 GLN C C -4.262 -5.730 -2.661 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . rr_2lda 1
. 6 . 1171 . 1 1 10 GLN CA C -4.017 -4.322 -3.222 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . rr_2lda 1
. 6 . 1172 . 1 1 10 GLN CB C -2.787 -4.343 -4.141 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . rr_2lda 1
. 6 . 1173 . 1 1 10 GLN CD C -1.613 -3.321 -6.142 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . rr_2lda 1
. 6 . 1174 . 1 1 10 GLN CG C -2.792 -3.238 -5.188 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . rr_2lda 1
. 6 . 1175 . 1 1 10 GLN H H -3.006 -2.937 -1.937 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . rr_2lda 1
. 6 . 1176 . 1 1 10 GLN HA H -4.873 -4.066 -3.830 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . rr_2lda 1
. 6 . 1177 . 1 1 10 GLN HB2 H -1.895 -4.235 -3.541 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . rr_2lda 1
. 6 . 1178 . 1 1 10 GLN HB3 H -2.752 -5.293 -4.653 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . rr_2lda 1
. 6 . 1179 . 1 1 10 GLN HE21 H -2.843 -3.359 -7.709 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . rr_2lda 1
. 6 . 1180 . 1 1 10 GLN HE22 H -1.156 -3.426 -8.080 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . rr_2lda 1
. 6 . 1181 . 1 1 10 GLN HG2 H -3.703 -3.315 -5.764 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . rr_2lda 1
. 6 . 1182 . 1 1 10 GLN HG3 H -2.766 -2.284 -4.686 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . rr_2lda 1
. 6 . 1183 . 1 1 10 GLN N N -3.902 -3.249 -2.186 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . rr_2lda 1
. 6 . 1184 . 1 1 10 GLN NE2 N -1.900 -3.375 -7.441 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . rr_2lda 1
. 6 . 1185 . 1 1 10 GLN O O -4.996 -6.505 -3.311 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . rr_2lda 1
. 6 . 1186 . 1 1 10 GLN OE1 O -0.458 -3.327 -5.718 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . rr_2lda 1
. 6 . 1187 . 1 1 11 ASP C C -5.158 -7.615 -0.271 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_2lda 1
. 6 . 1188 . 1 1 11 ASP CA C -3.740 -7.377 -0.808 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_2lda 1
. 6 . 1189 . 1 1 11 ASP CB C -2.690 -7.521 0.313 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_2lda 1
. 6 . 1190 . 1 1 11 ASP CG C -2.663 -8.912 0.929 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_2lda 1
. 6 . 1191 . 1 1 11 ASP H H -3.064 -5.370 -1.054 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_2lda 1
. 6 . 1192 . 1 1 11 ASP HA H -3.542 -8.127 -1.562 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_2lda 1
. 6 . 1193 . 1 1 11 ASP HB2 H -1.710 -7.321 -0.094 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_2lda 1
. 6 . 1194 . 1 1 11 ASP HB3 H -2.900 -6.806 1.093 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_2lda 1
. 6 . 1195 . 1 1 11 ASP N N -3.628 -6.050 -1.473 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_2lda 1
. 6 . 1196 . 1 1 11 ASP O O -5.590 -8.781 -0.199 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_2lda 1
. 6 . 1197 . 1 1 11 ASP OD1 O -3.700 -9.336 1.481 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_2lda 1
. 6 . 1198 . 1 1 11 ASP OD2 O -1.609 -9.574 0.854 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD2 . . . . . . . . . rr_2lda 1
. 6 . 1199 . 1 1 12 SER C C -8.228 -6.564 -0.578 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_2lda 1
. 6 . 1200 . 1 1 12 SER CA C -7.236 -6.487 0.615 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_2lda 1
. 6 . 1201 . 1 1 12 SER CB C -7.417 -5.231 1.498 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_2lda 1
. 6 . 1202 . 1 1 12 SER H H -5.422 -5.617 -0.022 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_2lda 1
. 6 . 1203 . 1 1 12 SER HA H -7.352 -7.377 1.226 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_2lda 1
. 6 . 1204 . 1 1 12 SER HB2 H -7.518 -4.360 0.873 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_2lda 1
. 6 . 1205 . 1 1 12 SER HB3 H -8.295 -5.337 2.118 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_2lda 1
. 6 . 1206 . 1 1 12 SER HG H -6.587 -4.689 3.186 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_2lda 1
. 6 . 1207 . 1 1 12 SER N N -5.860 -6.485 0.088 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_2lda 1
. 6 . 1208 . 1 1 12 SER O O -7.826 -6.963 -1.670 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_2lda 1
. 6 . 1209 . 1 1 12 SER OG O -6.298 -5.056 2.348 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_2lda 1
. 6 . 1210 . 1 1 13 NH2 HN1 H -9.800 -5.957 0.498 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2lda 1
. 6 . 1211 . 1 1 13 NH2 HN2 H -10.120 -6.305 -1.164 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2lda 1
. 6 . 1212 . 1 1 13 NH2 N N -9.514 -6.242 -0.390 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2lda 1
. 7 . 1213 . 1 1 1 ACE C C 5.108 5.400 3.456 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . rr_2lda 1
. 7 . 1214 . 1 1 1 ACE CH3 C 6.339 5.275 4.330 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . rr_2lda 1
. 7 . 1215 . 1 1 1 ACE H1 H 6.284 4.360 4.900 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . rr_2lda 1
. 7 . 1216 . 1 1 1 ACE H2 H 6.388 6.117 5.004 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . rr_2lda 1
. 7 . 1217 . 1 1 1 ACE H3 H 7.222 5.259 3.708 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . rr_2lda 1
. 7 . 1218 . 1 1 1 ACE O O 4.030 4.909 3.845 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . rr_2lda 1
. 7 . 1219 . 1 1 2 HIS C C 3.913 5.071 0.443 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2lda 1
. 7 . 1220 . 1 1 2 HIS CA C 4.226 6.321 1.277 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2lda 1
. 7 . 1221 . 1 1 2 HIS CB C 4.594 7.497 0.359 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2lda 1
. 7 . 1222 . 1 1 2 HIS CD2 C 5.318 9.907 1.032 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2lda 1
. 7 . 1223 . 1 1 2 HIS CE1 C 3.574 10.424 2.259 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2lda 1
. 7 . 1224 . 1 1 2 HIS CG C 4.487 8.833 1.033 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2lda 1
. 7 . 1225 . 1 1 2 HIS H H 6.188 6.426 2.079 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H . . . . . . . . . rr_2lda 1
. 7 . 1226 . 1 1 2 HIS HA H 3.339 6.591 1.829 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2lda 1
. 7 . 1227 . 1 1 2 HIS HB2 H 5.612 7.380 0.021 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2lda 1
. 7 . 1228 . 1 1 2 HIS HB3 H 3.934 7.500 -0.496 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2lda 1
. 7 . 1229 . 1 1 2 HIS HD1 H 2.628 8.628 2.004 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2lda 1
. 7 . 1230 . 1 1 2 HIS HD2 H 6.261 9.992 0.509 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2lda 1
. 7 . 1231 . 1 1 2 HIS HE1 H 2.889 10.965 2.894 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2lda 1
. 7 . 1232 . 1 1 2 HIS HE2 H 5.071 11.785 1.940 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2lda 1
. 7 . 1233 . 1 1 2 HIS N N 5.293 6.078 2.270 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2lda 1
. 7 . 1234 . 1 1 2 HIS ND1 N 3.405 9.193 1.810 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2lda 1
. 7 . 1235 . 1 1 2 HIS NE2 N 4.726 10.878 1.802 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2lda 1
. 7 . 1236 . 1 1 2 HIS O O 2.762 4.913 -0.003 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2lda 1
. 7 . 1237 . 1 1 3 LYS C C 4.042 1.853 0.164 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2lda 1
. 7 . 1238 . 1 1 3 LYS CA C 4.869 2.939 -0.547 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2lda 1
. 7 . 1239 . 1 1 3 LYS CB C 6.263 2.382 -0.899 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2lda 1
. 7 . 1240 . 1 1 3 LYS CD C 8.426 2.634 -2.169 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2lda 1
. 7 . 1241 . 1 1 3 LYS CE C 9.236 3.481 -3.147 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2lda 1
. 7 . 1242 . 1 1 3 LYS CG C 7.060 3.246 -1.873 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2lda 1
. 7 . 1243 . 1 1 3 LYS H H 5.832 4.430 0.637 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2lda 1
. 7 . 1244 . 1 1 3 LYS HA H 4.364 3.187 -1.469 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2lda 1
. 7 . 1245 . 1 1 3 LYS HB2 H 6.840 2.273 0.005 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2lda 1
. 7 . 1246 . 1 1 3 LYS HB3 H 6.137 1.408 -1.346 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2lda 1
. 7 . 1247 . 1 1 3 LYS HD2 H 8.977 2.550 -1.245 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2lda 1
. 7 . 1248 . 1 1 3 LYS HD3 H 8.283 1.651 -2.593 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2lda 1
. 7 . 1249 . 1 1 3 LYS HE2 H 9.382 4.464 -2.723 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2lda 1
. 7 . 1250 . 1 1 3 LYS HE3 H 10.199 3.011 -3.295 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2lda 1
. 7 . 1251 . 1 1 3 LYS HG2 H 6.508 3.331 -2.798 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2lda 1
. 7 . 1252 . 1 1 3 LYS HG3 H 7.203 4.226 -1.447 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2lda 1
. 7 . 1253 . 1 1 3 LYS HZ1 H 7.605 4.012 -4.342 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2lda 1
. 7 . 1254 . 1 1 3 LYS HZ2 H 8.484 2.692 -4.931 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2lda 1
. 7 . 1255 . 1 1 3 LYS HZ3 H 9.106 4.258 -5.084 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2lda 1
. 7 . 1256 . 1 1 3 LYS N N 4.968 4.199 0.241 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2lda 1
. 7 . 1257 . 1 1 3 LYS NZ N 8.561 3.620 -4.469 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2lda 1
. 7 . 1258 . 1 1 3 LYS O O 3.251 1.141 -0.489 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2lda 1
. 7 . 1259 . 1 1 4 . C C 1.991 0.662 2.068 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 C . . . . . . . . . rr_2lda 1
. 7 . 1260 . 1 1 4 . CA C 3.554 0.676 2.400 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CA . . . . . . . . . rr_2lda 1
. 7 . 1261 . 1 1 4 . CB C 3.806 1.063 3.925 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB . . . . . . . . . rr_2lda 1
. 7 . 1262 . 1 1 4 . CB1 C 4.278 -0.683 2.115 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB1 . . . . . . . . . rr_2lda 1
. 7 . 1263 . 1 1 4 . CD C 1.591 0.656 5.229 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CD . . . . . . . . . rr_2lda 1
. 7 . 1264 . 1 1 4 . CE C 0.741 -0.043 6.330 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CE . . . . . . . . . rr_2lda 1
. 7 . 1265 . 1 1 4 . CG C 3.064 0.274 5.068 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CG . . . . . . . . . rr_2lda 1
. 7 . 1266 . 1 1 4 . HB H 3.547 2.108 4.037 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB . . . . . . . . . rr_2lda 1
. 7 . 1267 . 1 1 4 . HB1 H 5.025 -0.540 1.348 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1 . . . . . . . . . rr_2lda 1
. 7 . 1268 . 1 1 4 . HB1A H 3.556 -1.413 1.782 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1A . . . . . . . . . rr_2lda 1
. 7 . 1269 . 1 1 4 . HB1B H 4.753 -1.034 3.020 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1B . . . . . . . . . rr_2lda 1
. 7 . 1270 . 1 1 4 . HBA H 4.861 0.966 4.115 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HBA . . . . . . . . . rr_2lda 1
. 7 . 1271 . 1 1 4 . HD H 1.114 0.458 4.278 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HD . . . . . . . . . rr_2lda 1
. 7 . 1272 . 1 1 4 . HDA H 1.542 1.717 5.404 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HDA . . . . . . . . . rr_2lda 1
. 7 . 1273 . 1 1 4 . HE H 0.895 0.296 7.344 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HE . . . . . . . . . rr_2lda 1
. 7 . 1274 . 1 1 4 . HG H 3.577 0.464 5.999 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HG . . . . . . . . . rr_2lda 1
. 7 . 1275 . 1 1 4 . HGA H 3.117 -0.780 4.847 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HGA . . . . . . . . . rr_2lda 1
. 7 . 1276 . 1 1 4 . HN H 4.894 2.292 1.970 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HN . . . . . . . . . rr_2lda 1
. 7 . 1277 . 1 1 4 . N N 4.244 1.704 1.536 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 N . . . . . . . . . rr_2lda 1
. 7 . 1278 . 1 1 4 . O O 1.421 -0.331 1.563 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 O . . . . . . . . . rr_2lda 1
. 7 . 1279 . 1 1 5 LEU C C -0.673 1.656 0.910 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2lda 1
. 7 . 1280 . 1 1 5 LEU CA C -0.145 2.041 2.299 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2lda 1
. 7 . 1281 . 1 1 5 LEU CB C -0.505 3.503 2.663 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2lda 1
. 7 . 1282 . 1 1 5 LEU CD1 C -2.561 3.380 4.187 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2lda 1
. 7 . 1283 . 1 1 5 LEU CD2 C -2.214 5.343 2.670 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2lda 1
. 7 . 1284 . 1 1 5 LEU CG C -2.009 3.847 2.834 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2lda 1
. 7 . 1285 . 1 1 5 LEU H H 1.838 2.531 2.870 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2lda 1
. 7 . 1286 . 1 1 5 LEU HA H -0.622 1.393 3.019 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2lda 1
. 7 . 1287 . 1 1 5 LEU HB2 H -0.012 3.737 3.595 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2lda 1
. 7 . 1288 . 1 1 5 LEU HB3 H -0.101 4.146 1.896 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2lda 1
. 7 . 1289 . 1 1 5 LEU HD11 H -3.628 3.547 4.217 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2lda 1
. 7 . 1290 . 1 1 5 LEU HD12 H -2.086 3.934 4.981 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2lda 1
. 7 . 1291 . 1 1 5 LEU HD13 H -2.359 2.325 4.313 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2lda 1
. 7 . 1292 . 1 1 5 LEU HD21 H -2.431 5.565 1.635 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2lda 1
. 7 . 1293 . 1 1 5 LEU HD22 H -1.316 5.863 2.969 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2lda 1
. 7 . 1294 . 1 1 5 LEU HD23 H -3.039 5.663 3.288 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2lda 1
. 7 . 1295 . 1 1 5 LEU HG H -2.573 3.350 2.058 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2lda 1
. 7 . 1296 . 1 1 5 LEU N N 1.315 1.822 2.442 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2lda 1
. 7 . 1297 . 1 1 5 LEU O O -1.869 1.308 0.804 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2lda 1
. 7 . 1298 . 1 1 6 HIS C C -0.333 -0.147 -1.633 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . rr_2lda 1
. 7 . 1299 . 1 1 6 HIS CA C -0.093 1.365 -1.530 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . rr_2lda 1
. 7 . 1300 . 1 1 6 HIS CB C 1.024 1.851 -2.479 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . rr_2lda 1
. 7 . 1301 . 1 1 6 HIS CD2 C 0.547 2.878 -4.826 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . rr_2lda 1
. 7 . 1302 . 1 1 6 HIS CE1 C 0.090 1.023 -5.901 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . rr_2lda 1
. 7 . 1303 . 1 1 6 HIS CG C 0.656 1.855 -3.939 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . rr_2lda 1
. 7 . 1304 . 1 1 6 HIS H H 1.154 1.992 0.071 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . rr_2lda 1
. 7 . 1305 . 1 1 6 HIS HA H -1.015 1.870 -1.780 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . rr_2lda 1
. 7 . 1306 . 1 1 6 HIS HB2 H 1.292 2.864 -2.211 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . rr_2lda 1
. 7 . 1307 . 1 1 6 HIS HB3 H 1.888 1.218 -2.356 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . rr_2lda 1
. 7 . 1308 . 1 1 6 HIS HD1 H 0.350 -0.202 -4.281 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . rr_2lda 1
. 7 . 1309 . 1 1 6 HIS HD2 H 0.707 3.929 -4.622 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . rr_2lda 1
. 7 . 1310 . 1 1 6 HIS HE1 H -0.167 0.328 -6.686 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . rr_2lda 1
. 7 . 1311 . 1 1 6 HIS HE2 H 0.046 2.829 -6.865 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . rr_2lda 1
. 7 . 1312 . 1 1 6 HIS N N 0.237 1.714 -0.131 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . rr_2lda 1
. 7 . 1313 . 1 1 6 HIS ND1 N 0.361 0.708 -4.645 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . rr_2lda 1
. 7 . 1314 . 1 1 6 HIS NE2 N 0.195 2.331 -6.034 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . rr_2lda 1
. 7 . 1315 . 1 1 6 HIS O O -1.340 -0.567 -2.232 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . rr_2lda 1
. 7 . 1316 . 1 1 7 GLN C C -0.692 -2.930 -0.225 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2lda 1
. 7 . 1317 . 1 1 7 GLN CA C 0.551 -2.427 -0.968 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2lda 1
. 7 . 1318 . 1 1 7 GLN CB C 1.795 -3.017 -0.277 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2lda 1
. 7 . 1319 . 1 1 7 GLN CD C 4.145 -3.919 -0.471 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2lda 1
. 7 . 1320 . 1 1 7 GLN CG C 3.006 -3.208 -1.179 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2lda 1
. 7 . 1321 . 1 1 7 GLN H H 1.358 -0.489 -0.561 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2lda 1
. 7 . 1322 . 1 1 7 GLN HA H 0.510 -2.785 -1.985 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2lda 1
. 7 . 1323 . 1 1 7 GLN HB2 H 2.084 -2.368 0.534 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2lda 1
. 7 . 1324 . 1 1 7 GLN HB3 H 1.530 -3.979 0.135 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2lda 1
. 7 . 1325 . 1 1 7 GLN HE21 H 4.051 -5.430 -1.761 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2lda 1
. 7 . 1326 . 1 1 7 GLN HE22 H 5.257 -5.564 -0.533 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2lda 1
. 7 . 1327 . 1 1 7 GLN HG2 H 2.713 -3.792 -2.034 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2lda 1
. 7 . 1328 . 1 1 7 GLN HG3 H 3.362 -2.247 -1.507 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2lda 1
. 7 . 1329 . 1 1 7 GLN N N 0.609 -0.941 -1.009 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2lda 1
. 7 . 1330 . 1 1 7 GLN NE2 N 4.521 -5.090 -0.972 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2lda 1
. 7 . 1331 . 1 1 7 GLN O O -1.323 -3.905 -0.657 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2lda 1
. 7 . 1332 . 1 1 7 GLN OE1 O 4.679 -3.420 0.519 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2lda 1
. 7 . 1333 . 1 1 8 . C C -3.485 -2.520 0.962 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 C . . . . . . . . . rr_2lda 1
. 7 . 1334 . 1 1 8 . CA C -2.175 -2.562 1.827 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CA . . . . . . . . . rr_2lda 1
. 7 . 1335 . 1 1 8 . CB C -2.333 -1.446 2.917 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB . . . . . . . . . rr_2lda 1
. 7 . 1336 . 1 1 8 . CB1 C -1.948 -3.939 2.540 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB1 . . . . . . . . . rr_2lda 1
. 7 . 1337 . 1 1 8 . CD C -0.651 -1.757 4.829 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CD . . . . . . . . . rr_2lda 1
. 7 . 1338 . 1 1 8 . CE C -0.200 -1.052 6.159 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CE . . . . . . . . . rr_2lda 1
. 7 . 1339 . 1 1 8 . CG C -1.056 -0.910 3.623 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CG . . . . . . . . . rr_2lda 1
. 7 . 1340 . 1 1 8 . HB H -2.999 -1.823 3.680 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB . . . . . . . . . rr_2lda 1
. 7 . 1341 . 1 1 8 . HB1 H -2.082 -4.740 1.827 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1 . . . . . . . . . rr_2lda 1
. 7 . 1342 . 1 1 8 . HB1A H -2.664 -4.049 3.342 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1A . . . . . . . . . rr_2lda 1
. 7 . 1343 . 1 1 8 . HB1B H -0.948 -3.974 2.943 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1B . . . . . . . . . rr_2lda 1
. 7 . 1344 . 1 1 8 . HBA H -2.807 -0.599 2.451 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HBA . . . . . . . . . rr_2lda 1
. 7 . 1345 . 1 1 8 . HD H 0.156 -2.406 4.510 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HD . . . . . . . . . rr_2lda 1
. 7 . 1346 . 1 1 8 . HDA H -1.492 -2.375 5.079 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HDA . . . . . . . . . rr_2lda 1
. 7 . 1347 . 1 1 8 . HE H -0.681 -1.399 7.060 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HE . . . . . . . . . rr_2lda 1
. 7 . 1348 . 1 1 8 . HG H -1.234 0.105 3.948 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HG . . . . . . . . . rr_2lda 1
. 7 . 1349 . 1 1 8 . HGA H -0.249 -0.918 2.918 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HGA . . . . . . . . . rr_2lda 1
. 7 . 1350 . 1 1 8 . HN H -0.465 -1.495 1.170 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HN . . . . . . . . . rr_2lda 1
. 7 . 1351 . 1 1 8 . N N -1.021 -2.242 0.926 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 N . . . . . . . . . rr_2lda 1
. 7 . 1352 . 1 1 8 . O O -4.460 -3.287 1.183 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 O . . . . . . . . . rr_2lda 1
. 7 . 1353 . 1 1 9 LEU C C -4.901 -2.469 -1.862 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_2lda 1
. 7 . 1354 . 1 1 9 LEU CA C -4.611 -1.272 -0.939 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_2lda 1
. 7 . 1355 . 1 1 9 LEU CB C -4.340 0.008 -1.768 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_2lda 1
. 7 . 1356 . 1 1 9 LEU CD1 C -6.489 1.396 -1.687 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_2lda 1
. 7 . 1357 . 1 1 9 LEU CD2 C -5.025 1.452 -3.718 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_2lda 1
. 7 . 1358 . 1 1 9 LEU CG C -5.534 0.591 -2.573 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_2lda 1
. 7 . 1359 . 1 1 9 LEU H H -2.681 -0.968 -0.085 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_2lda 1
. 7 . 1360 . 1 1 9 LEU HA H -5.484 -1.099 -0.327 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_2lda 1
. 7 . 1361 . 1 1 9 LEU HB2 H -3.991 0.775 -1.091 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_2lda 1
. 7 . 1362 . 1 1 9 LEU HB3 H -3.545 -0.211 -2.465 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_2lda 1
. 7 . 1363 . 1 1 9 LEU HD11 H -7.252 1.853 -2.301 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_2lda 1
. 7 . 1364 . 1 1 9 LEU HD12 H -5.938 2.164 -1.167 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_2lda 1
. 7 . 1365 . 1 1 9 LEU HD13 H -6.954 0.736 -0.969 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_2lda 1
. 7 . 1366 . 1 1 9 LEU HD21 H -5.083 2.493 -3.438 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_2lda 1
. 7 . 1367 . 1 1 9 LEU HD22 H -5.633 1.280 -4.594 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_2lda 1
. 7 . 1368 . 1 1 9 LEU HD23 H -4.000 1.192 -3.934 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_2lda 1
. 7 . 1369 . 1 1 9 LEU HG H -6.097 -0.226 -3.000 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_2lda 1
. 7 . 1370 . 1 1 9 LEU N N -3.479 -1.540 -0.015 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_2lda 1
. 7 . 1371 . 1 1 9 LEU O O -6.073 -2.681 -2.227 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_2lda 1
. 7 . 1372 . 1 1 10 GLN C C -4.279 -5.700 -2.527 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . rr_2lda 1
. 7 . 1373 . 1 1 10 GLN CA C -3.867 -4.369 -3.181 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . rr_2lda 1
. 7 . 1374 . 1 1 10 GLN CB C -2.530 -4.553 -3.918 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . rr_2lda 1
. 7 . 1375 . 1 1 10 GLN CD C -3.186 -3.702 -6.241 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . rr_2lda 1
. 7 . 1376 . 1 1 10 GLN CG C -2.274 -3.531 -5.029 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . rr_2lda 1
. 7 . 1377 . 1 1 10 GLN H H -2.921 -2.923 -1.929 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . rr_2lda 1
. 7 . 1378 . 1 1 10 GLN HA H -4.612 -4.124 -3.924 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . rr_2lda 1
. 7 . 1379 . 1 1 10 GLN HB2 H -1.725 -4.476 -3.204 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . rr_2lda 1
. 7 . 1380 . 1 1 10 GLN HB3 H -2.512 -5.539 -4.357 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . rr_2lda 1
. 7 . 1381 . 1 1 10 GLN HE21 H -1.612 -3.866 -7.450 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . rr_2lda 1
. 7 . 1382 . 1 1 10 GLN HE22 H -3.159 -3.972 -8.215 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . rr_2lda 1
. 7 . 1383 . 1 1 10 GLN HG2 H -2.424 -2.542 -4.627 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . rr_2lda 1
. 7 . 1384 . 1 1 10 GLN HG3 H -1.249 -3.632 -5.355 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . rr_2lda 1
. 7 . 1385 . 1 1 10 GLN N N -3.801 -3.207 -2.254 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . rr_2lda 1
. 7 . 1386 . 1 1 10 GLN NE2 N -2.592 -3.864 -7.421 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . rr_2lda 1
. 7 . 1387 . 1 1 10 GLN O O -5.227 -6.337 -3.031 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . rr_2lda 1
. 7 . 1388 . 1 1 10 GLN OE1 O -4.410 -3.681 -6.115 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . rr_2lda 1
. 7 . 1389 . 1 1 11 ASP C C -5.072 -7.532 0.023 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_2lda 1
. 7 . 1390 . 1 1 11 ASP CA C -3.731 -7.440 -0.758 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_2lda 1
. 7 . 1391 . 1 1 11 ASP CB C -2.531 -7.767 0.167 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_2lda 1
. 7 . 1392 . 1 1 11 ASP CG C -2.575 -9.193 0.683 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_2lda 1
. 7 . 1393 . 1 1 11 ASP H H -2.752 -5.583 -1.171 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_2lda 1
. 7 . 1394 . 1 1 11 ASP HA H -3.755 -8.196 -1.531 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_2lda 1
. 7 . 1395 . 1 1 11 ASP HB2 H -1.612 -7.643 -0.385 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_2lda 1
. 7 . 1396 . 1 1 11 ASP HB3 H -2.522 -7.099 1.018 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_2lda 1
. 7 . 1397 . 1 1 11 ASP N N -3.514 -6.137 -1.453 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_2lda 1
. 7 . 1398 . 1 1 11 ASP O O -5.341 -8.608 0.599 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_2lda 1
. 7 . 1399 . 1 1 11 ASP OD1 O -2.539 -10.123 -0.150 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_2lda 1
. 7 . 1400 . 1 1 11 ASP OD2 O -2.646 -9.380 1.914 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD2 . . . . . . . . . rr_2lda 1
. 7 . 1401 . 1 1 12 SER C C -8.378 -7.012 -0.125 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_2lda 1
. 7 . 1402 . 1 1 12 SER CA C -7.237 -6.374 0.726 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_2lda 1
. 7 . 1403 . 1 1 12 SER CB C -7.560 -4.946 1.219 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_2lda 1
. 7 . 1404 . 1 1 12 SER H H -5.626 -5.613 -0.466 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_2lda 1
. 7 . 1405 . 1 1 12 SER HA H -7.126 -7.002 1.602 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_2lda 1
. 7 . 1406 . 1 1 12 SER HB2 H -7.652 -4.281 0.377 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_2lda 1
. 7 . 1407 . 1 1 12 SER HB3 H -8.488 -4.960 1.771 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_2lda 1
. 7 . 1408 . 1 1 12 SER HG H -6.330 -5.134 2.729 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_2lda 1
. 7 . 1409 . 1 1 12 SER N N -5.913 -6.413 0.023 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_2lda 1
. 7 . 1410 . 1 1 12 SER O O -8.690 -8.182 0.092 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_2lda 1
. 7 . 1411 . 1 1 12 SER OG O -6.543 -4.467 2.074 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_2lda 1
. 7 . 1412 . 1 1 13 NH2 HN1 H -8.899 -5.304 -1.071 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2lda 1
. 7 . 1413 . 1 1 13 NH2 HN2 H -9.801 -6.704 -1.511 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2lda 1
. 7 . 1414 . 1 1 13 NH2 N N -9.097 -6.258 -0.990 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2lda 1
. 8 . 1415 . 1 1 1 ACE C C 5.216 5.532 3.420 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . rr_2lda 1
. 8 . 1416 . 1 1 1 ACE CH3 C 6.518 5.428 4.188 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . rr_2lda 1
. 8 . 1417 . 1 1 1 ACE H1 H 6.314 5.456 5.248 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . rr_2lda 1
. 8 . 1418 . 1 1 1 ACE H2 H 7.160 6.256 3.923 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . rr_2lda 1
. 8 . 1419 . 1 1 1 ACE H3 H 7.009 4.498 3.940 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . rr_2lda 1
. 8 . 1420 . 1 1 1 ACE O O 4.193 4.986 3.876 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . rr_2lda 1
. 8 . 1421 . 1 1 2 HIS C C 3.804 5.235 0.518 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2lda 1
. 8 . 1422 . 1 1 2 HIS CA C 4.123 6.490 1.353 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2lda 1
. 8 . 1423 . 1 1 2 HIS CB C 4.408 7.698 0.438 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2lda 1
. 8 . 1424 . 1 1 2 HIS CD2 C 2.699 9.577 -0.130 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2lda 1
. 8 . 1425 . 1 1 2 HIS CE1 C 1.319 8.394 -1.355 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2lda 1
. 8 . 1426 . 1 1 2 HIS CG C 3.180 8.309 -0.177 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2lda 1
. 8 . 1427 . 1 1 2 HIS H H 6.140 6.652 1.998 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H . . . . . . . . . rr_2lda 1
. 8 . 1428 . 1 1 2 HIS HA H 3.269 6.720 1.974 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2lda 1
. 8 . 1429 . 1 1 2 HIS HB2 H 4.903 8.465 1.014 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2lda 1
. 8 . 1430 . 1 1 2 HIS HB3 H 5.059 7.389 -0.366 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2lda 1
. 8 . 1431 . 1 1 2 HIS HD1 H 2.363 6.643 -1.174 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2lda 1
. 8 . 1432 . 1 1 2 HIS HD2 H 3.145 10.415 0.389 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2lda 1
. 8 . 1433 . 1 1 2 HIS HE1 H 0.482 8.108 -1.974 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2lda 1
. 8 . 1434 . 1 1 2 HIS HE2 H 1.039 10.406 -1.109 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2lda 1
. 8 . 1435 . 1 1 2 HIS N N 5.277 6.256 2.247 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2lda 1
. 8 . 1436 . 1 1 2 HIS ND1 N 2.291 7.594 -0.952 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2lda 1
. 8 . 1437 . 1 1 2 HIS NE2 N 1.543 9.600 -0.870 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2lda 1
. 8 . 1438 . 1 1 2 HIS O O 2.645 5.065 0.098 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2lda 1
. 8 . 1439 . 1 1 3 LYS C C 3.972 2.000 0.195 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2lda 1
. 8 . 1440 . 1 1 3 LYS CA C 4.763 3.120 -0.512 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2lda 1
. 8 . 1441 . 1 1 3 LYS CB C 6.155 2.588 -0.912 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2lda 1
. 8 . 1442 . 1 1 3 LYS CD C 8.152 2.720 -2.452 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2lda 1
. 8 . 1443 . 1 1 3 LYS CE C 8.904 3.539 -3.502 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2lda 1
. 8 . 1444 . 1 1 3 LYS CG C 6.871 3.409 -1.986 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2lda 1
. 8 . 1445 . 1 1 3 LYS H H 5.736 4.615 0.658 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2lda 1
. 8 . 1446 . 1 1 3 LYS HA H 4.232 3.371 -1.416 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2lda 1
. 8 . 1447 . 1 1 3 LYS HB2 H 6.784 2.561 -0.038 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2lda 1
. 8 . 1448 . 1 1 3 LYS HB3 H 6.041 1.581 -1.284 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2lda 1
. 8 . 1449 . 1 1 3 LYS HD2 H 8.798 2.575 -1.600 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2lda 1
. 8 . 1450 . 1 1 3 LYS HD3 H 7.896 1.759 -2.876 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2lda 1
. 8 . 1451 . 1 1 3 LYS HE2 H 9.188 4.487 -3.069 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2lda 1
. 8 . 1452 . 1 1 3 LYS HE3 H 9.796 2.998 -3.787 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2lda 1
. 8 . 1453 . 1 1 3 LYS HG2 H 6.213 3.530 -2.834 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2lda 1
. 8 . 1454 . 1 1 3 LYS HG3 H 7.126 4.377 -1.586 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2lda 1
. 8 . 1455 . 1 1 3 LYS HZ1 H 7.853 4.803 -4.794 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2lda 1
. 8 . 1456 . 1 1 3 LYS HZ2 H 7.199 3.248 -4.678 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2lda 1
. 8 . 1457 . 1 1 3 LYS HZ3 H 8.611 3.505 -5.573 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2lda 1
. 8 . 1458 . 1 1 3 LYS N N 4.864 4.376 0.283 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2lda 1
. 8 . 1459 . 1 1 3 LYS NZ N 8.084 3.791 -4.722 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2lda 1
. 8 . 1460 . 1 1 3 LYS O O 3.132 1.333 -0.441 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2lda 1
. 8 . 1461 . 1 1 4 . C C 2.088 0.570 2.098 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 C . . . . . . . . . rr_2lda 1
. 8 . 1462 . 1 1 4 . CA C 3.649 0.650 2.371 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CA . . . . . . . . . rr_2lda 1
. 8 . 1463 . 1 1 4 . CB C 3.881 0.977 3.911 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB . . . . . . . . . rr_2lda 1
. 8 . 1464 . 1 1 4 . CB1 C 4.445 -0.640 1.972 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB1 . . . . . . . . . rr_2lda 1
. 8 . 1465 . 1 1 4 . CD C 1.808 0.029 5.226 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CD . . . . . . . . . rr_2lda 1
. 8 . 1466 . 1 1 4 . CE C 1.205 -0.667 6.466 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CE . . . . . . . . . rr_2lda 1
. 8 . 1467 . 1 1 4 . CG C 3.332 0.009 5.038 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CG . . . . . . . . . rr_2lda 1
. 8 . 1468 . 1 1 4 . HB H 3.454 1.953 4.098 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB . . . . . . . . . rr_2lda 1
. 8 . 1469 . 1 1 4 . HB1 H 3.788 -1.497 2.024 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1 . . . . . . . . . rr_2lda 1
. 8 . 1470 . 1 1 4 . HB1A H 5.272 -0.780 2.652 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1A . . . . . . . . . rr_2lda 1
. 8 . 1471 . 1 1 4 . HB1B H 4.821 -0.534 0.965 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1B . . . . . . . . . rr_2lda 1
. 8 . 1472 . 1 1 4 . HBA H 4.944 1.055 4.067 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HBA . . . . . . . . . rr_2lda 1
. 8 . 1473 . 1 1 4 . HD H 1.376 -0.440 4.350 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HD . . . . . . . . . rr_2lda 1
. 8 . 1474 . 1 1 4 . HDA H 1.489 1.055 5.243 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HDA . . . . . . . . . rr_2lda 1
. 8 . 1475 . 1 1 4 . HE H 1.820 -0.684 7.355 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HE . . . . . . . . . rr_2lda 1
. 8 . 1476 . 1 1 4 . HG H 3.799 0.283 5.976 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HG . . . . . . . . . rr_2lda 1
. 8 . 1477 . 1 1 4 . HGA H 3.623 -0.999 4.790 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HGA . . . . . . . . . rr_2lda 1
. 8 . 1478 . 1 1 4 . HN H 4.975 2.286 1.953 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HN . . . . . . . . . rr_2lda 1
. 8 . 1479 . 1 1 4 . N N 4.277 1.748 1.534 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 N . . . . . . . . . rr_2lda 1
. 8 . 1480 . 1 1 4 . O O 1.524 -0.507 1.779 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 O . . . . . . . . . rr_2lda 1
. 8 . 1481 . 1 1 5 LEU C C -0.568 1.451 0.797 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2lda 1
. 8 . 1482 . 1 1 5 LEU CA C -0.069 1.922 2.161 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2lda 1
. 8 . 1483 . 1 1 5 LEU CB C -0.542 3.366 2.462 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2lda 1
. 8 . 1484 . 1 1 5 LEU CD1 C -2.469 3.129 4.149 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2lda 1
. 8 . 1485 . 1 1 5 LEU CD2 C -2.487 4.979 2.460 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2lda 1
. 8 . 1486 . 1 1 5 LEU CG C -2.065 3.543 2.725 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2lda 1
. 8 . 1487 . 1 1 5 LEU H H 1.925 2.553 2.585 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2lda 1
. 8 . 1488 . 1 1 5 LEU HA H -0.508 1.273 2.898 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2lda 1
. 8 . 1489 . 1 1 5 LEU HB2 H -0.010 3.718 3.334 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2lda 1
. 8 . 1490 . 1 1 5 LEU HB3 H -0.272 3.991 1.624 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2lda 1
. 8 . 1491 . 1 1 5 LEU HD11 H -2.893 3.975 4.666 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2lda 1
. 8 . 1492 . 1 1 5 LEU HD12 H -1.597 2.780 4.683 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2lda 1
. 8 . 1493 . 1 1 5 LEU HD13 H -3.199 2.333 4.099 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2lda 1
. 8 . 1494 . 1 1 5 LEU HD21 H -2.177 5.268 1.468 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2lda 1
. 8 . 1495 . 1 1 5 LEU HD22 H -2.026 5.629 3.188 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2lda 1
. 8 . 1496 . 1 1 5 LEU HD23 H -3.562 5.056 2.538 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2lda 1
. 8 . 1497 . 1 1 5 LEU HG H -2.609 2.912 2.038 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2lda 1
. 8 . 1498 . 1 1 5 LEU N N 1.406 1.770 2.300 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2lda 1
. 8 . 1499 . 1 1 5 LEU O O -1.653 0.840 0.735 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2lda 1
. 8 . 1500 . 1 1 6 HIS C C -0.222 -0.189 -1.760 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . rr_2lda 1
. 8 . 1501 . 1 1 6 HIS CA C -0.058 1.336 -1.679 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . rr_2lda 1
. 8 . 1502 . 1 1 6 HIS CB C 1.053 1.825 -2.617 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . rr_2lda 1
. 8 . 1503 . 1 1 6 HIS CD2 C 0.559 3.203 -4.759 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . rr_2lda 1
. 8 . 1504 . 1 1 6 HIS CE1 C -0.188 1.582 -6.028 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . rr_2lda 1
. 8 . 1505 . 1 1 6 HIS CG C 0.604 2.061 -4.027 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . rr_2lda 1
. 8 . 1506 . 1 1 6 HIS H H 1.088 2.210 -0.118 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . rr_2lda 1
. 8 . 1507 . 1 1 6 HIS HA H -0.989 1.800 -1.958 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . rr_2lda 1
. 8 . 1508 . 1 1 6 HIS HB2 H 1.444 2.759 -2.239 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . rr_2lda 1
. 8 . 1509 . 1 1 6 HIS HB3 H 1.844 1.092 -2.638 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . rr_2lda 1
. 8 . 1510 . 1 1 6 HIS HD1 H 0.040 0.116 -4.615 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . rr_2lda 1
. 8 . 1511 . 1 1 6 HIS HD2 H 0.858 4.190 -4.432 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . rr_2lda 1
. 8 . 1512 . 1 1 6 HIS HE1 H -0.586 1.042 -6.873 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . rr_2lda 1
. 8 . 1513 . 1 1 6 HIS HE2 H -0.078 3.500 -6.735 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . rr_2lda 1
. 8 . 1514 . 1 1 6 HIS N N 0.250 1.730 -0.284 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . rr_2lda 1
. 8 . 1515 . 1 1 6 HIS ND1 N 0.129 1.063 -4.853 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . rr_2lda 1
. 8 . 1516 . 1 1 6 HIS NE2 N 0.063 2.876 -5.994 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . rr_2lda 1
. 8 . 1517 . 1 1 6 HIS O O -1.104 -0.685 -2.482 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . rr_2lda 1
. 8 . 1518 . 1 1 7 GLN C C -0.544 -2.968 -0.158 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2lda 1
. 8 . 1519 . 1 1 7 GLN CA C 0.688 -2.381 -0.881 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2lda 1
. 8 . 1520 . 1 1 7 GLN CB C 1.972 -2.868 -0.183 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2lda 1
. 8 . 1521 . 1 1 7 GLN CD C 4.302 -3.829 -0.435 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2lda 1
. 8 . 1522 . 1 1 7 GLN CG C 3.144 -3.135 -1.126 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2lda 1
. 8 . 1523 . 1 1 7 GLN H H 1.317 -0.382 -0.463 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2lda 1
. 8 . 1524 . 1 1 7 GLN HA H 0.688 -2.761 -1.890 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2lda 1
. 8 . 1525 . 1 1 7 GLN HB2 H 2.286 -2.126 0.534 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2lda 1
. 8 . 1526 . 1 1 7 GLN HB3 H 1.750 -3.783 0.344 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2lda 1
. 8 . 1527 . 1 1 7 GLN HE21 H 4.276 -5.289 -1.786 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2lda 1
. 8 . 1528 . 1 1 7 GLN HE22 H 5.476 -5.430 -0.553 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2lda 1
. 8 . 1529 . 1 1 7 GLN HG2 H 2.801 -3.759 -1.933 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2lda 1
. 8 . 1530 . 1 1 7 GLN HG3 H 3.502 -2.202 -1.525 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2lda 1
. 8 . 1531 . 1 1 7 GLN N N 0.660 -0.899 -0.977 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2lda 1
. 8 . 1532 . 1 1 7 GLN NE2 N 4.727 -4.965 -0.979 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2lda 1
. 8 . 1533 . 1 1 7 GLN O O -1.164 -3.903 -0.686 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2lda 1
. 8 . 1534 . 1 1 7 GLN OE1 O 4.820 -3.344 0.570 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2lda 1
. 8 . 1535 . 1 1 8 . C C -3.356 -2.748 1.101 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 C . . . . . . . . . rr_2lda 1
. 8 . 1536 . 1 1 8 . CA C -2.026 -2.878 1.938 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CA . . . . . . . . . rr_2lda 1
. 8 . 1537 . 1 1 8 . CB C -2.172 -1.938 3.191 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB . . . . . . . . . rr_2lda 1
. 8 . 1538 . 1 1 8 . CB1 C -1.788 -4.349 2.441 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB1 . . . . . . . . . rr_2lda 1
. 8 . 1539 . 1 1 8 . CD C -1.167 -1.434 5.487 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CD . . . . . . . . . rr_2lda 1
. 8 . 1540 . 1 1 8 . CE C -0.031 -1.276 6.569 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CE . . . . . . . . . rr_2lda 1
. 8 . 1541 . 1 1 8 . CG C -0.881 -1.532 3.972 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CG . . . . . . . . . rr_2lda 1
. 8 . 1542 . 1 1 8 . HB H -2.839 -2.422 3.890 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB . . . . . . . . . rr_2lda 1
. 8 . 1543 . 1 1 8 . HB1 H -1.259 -4.324 3.384 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1 . . . . . . . . . rr_2lda 1
. 8 . 1544 . 1 1 8 . HB1A H -1.201 -4.888 1.715 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1A . . . . . . . . . rr_2lda 1
. 8 . 1545 . 1 1 8 . HB1B H -2.740 -4.841 2.574 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1B . . . . . . . . . rr_2lda 1
. 8 . 1546 . 1 1 8 . HBA H -2.642 -1.024 2.864 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HBA . . . . . . . . . rr_2lda 1
. 8 . 1547 . 1 1 8 . HD H -1.724 -2.330 5.745 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HD . . . . . . . . . rr_2lda 1
. 8 . 1548 . 1 1 8 . HDA H -1.829 -0.600 5.630 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HDA . . . . . . . . . rr_2lda 1
. 8 . 1549 . 1 1 8 . HE H -0.252 -1.700 7.540 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HE . . . . . . . . . rr_2lda 1
. 8 . 1550 . 1 1 8 . HG H -0.544 -0.566 3.621 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HG . . . . . . . . . rr_2lda 1
. 8 . 1551 . 1 1 8 . HGA H -0.116 -2.275 3.792 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HGA . . . . . . . . . rr_2lda 1
. 8 . 1552 . 1 1 8 . HN H -0.336 -1.700 1.416 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HN . . . . . . . . . rr_2lda 1
. 8 . 1553 . 1 1 8 . N N -0.879 -2.422 1.079 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 N . . . . . . . . . rr_2lda 1
. 8 . 1554 . 1 1 8 . O O -4.358 -3.494 1.320 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 O . . . . . . . . . rr_2lda 1
. 8 . 1555 . 1 1 9 LEU C C -4.860 -2.523 -1.694 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_2lda 1
. 8 . 1556 . 1 1 9 LEU CA C -4.507 -1.387 -0.715 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_2lda 1
. 8 . 1557 . 1 1 9 LEU CB C -4.253 -0.066 -1.485 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_2lda 1
. 8 . 1558 . 1 1 9 LEU CD1 C -6.359 1.363 -1.192 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_2lda 1
. 8 . 1559 . 1 1 9 LEU CD2 C -5.024 1.503 -3.303 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_2lda 1
. 8 . 1560 . 1 1 9 LEU CG C -5.481 0.587 -2.178 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_2lda 1
. 8 . 1561 . 1 1 9 LEU H H -2.544 -1.168 0.097 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_2lda 1
. 8 . 1562 . 1 1 9 LEU HA H -5.357 -1.235 -0.065 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_2lda 1
. 8 . 1563 . 1 1 9 LEU HB2 H -3.845 0.652 -0.789 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_2lda 1
. 8 . 1564 . 1 1 9 LEU HB3 H -3.511 -0.262 -2.243 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_2lda 1
. 8 . 1565 . 1 1 9 LEU HD11 H -6.863 2.164 -1.712 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_2lda 1
. 8 . 1566 . 1 1 9 LEU HD12 H -5.742 1.775 -0.407 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_2lda 1
. 8 . 1567 . 1 1 9 LEU HD13 H -7.092 0.696 -0.761 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_2lda 1
. 8 . 1568 . 1 1 9 LEU HD21 H -4.813 2.484 -2.904 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_2lda 1
. 8 . 1569 . 1 1 9 LEU HD22 H -5.805 1.577 -4.045 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_2lda 1
. 8 . 1570 . 1 1 9 LEU HD23 H -4.133 1.098 -3.757 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_2lda 1
. 8 . 1571 . 1 1 9 LEU HG H -6.090 -0.191 -2.614 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_2lda 1
. 8 . 1572 . 1 1 9 LEU N N -3.351 -1.724 0.164 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_2lda 1
. 8 . 1573 . 1 1 9 LEU O O -6.053 -2.688 -2.016 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_2lda 1
. 8 . 1574 . 1 1 10 GLN C C -4.378 -5.716 -2.543 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . rr_2lda 1
. 8 . 1575 . 1 1 10 GLN CA C -3.943 -4.378 -3.164 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . rr_2lda 1
. 8 . 1576 . 1 1 10 GLN CB C -2.649 -4.587 -3.963 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . rr_2lda 1
. 8 . 1577 . 1 1 10 GLN CD C -1.584 -4.161 -6.225 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . rr_2lda 1
. 8 . 1578 . 1 1 10 GLN CG C -2.499 -3.627 -5.134 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . rr_2lda 1
. 8 . 1579 . 1 1 10 GLN H H -2.896 -3.032 -1.877 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . rr_2lda 1
. 8 . 1580 . 1 1 10 GLN HA H -4.709 -4.071 -3.863 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . rr_2lda 1
. 8 . 1581 . 1 1 10 GLN HB2 H -1.804 -4.451 -3.305 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . rr_2lda 1
. 8 . 1582 . 1 1 10 GLN HB3 H -2.635 -5.596 -4.348 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . rr_2lda 1
. 8 . 1583 . 1 1 10 GLN HE21 H -0.392 -2.578 -6.055 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . rr_2lda 1
. 8 . 1584 . 1 1 10 GLN HE22 H 0.072 -3.738 -7.248 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . rr_2lda 1
. 8 . 1585 . 1 1 10 GLN HG2 H -3.475 -3.449 -5.562 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . rr_2lda 1
. 8 . 1586 . 1 1 10 GLN HG3 H -2.093 -2.696 -4.769 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . rr_2lda 1
. 8 . 1587 . 1 1 10 GLN N N -3.798 -3.269 -2.178 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . rr_2lda 1
. 8 . 1588 . 1 1 10 GLN NE2 N -0.527 -3.418 -6.539 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . rr_2lda 1
. 8 . 1589 . 1 1 10 GLN O O -5.291 -6.360 -3.097 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . rr_2lda 1
. 8 . 1590 . 1 1 10 GLN OE1 O -1.830 -5.228 -6.787 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . rr_2lda 1
. 8 . 1591 . 1 1 11 ASP C C -5.305 -7.496 -0.017 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_2lda 1
. 8 . 1592 . 1 1 11 ASP CA C -3.930 -7.430 -0.724 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_2lda 1
. 8 . 1593 . 1 1 11 ASP CB C -2.792 -7.731 0.278 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_2lda 1
. 8 . 1594 . 1 1 11 ASP CG C -2.877 -9.134 0.862 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_2lda 1
. 8 . 1595 . 1 1 11 ASP H H -2.953 -5.568 -1.095 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_2lda 1
. 8 . 1596 . 1 1 11 ASP HA H -3.914 -8.200 -1.484 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_2lda 1
. 8 . 1597 . 1 1 11 ASP HB2 H -1.840 -7.637 -0.224 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_2lda 1
. 8 . 1598 . 1 1 11 ASP HB3 H -2.833 -7.024 1.091 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_2lda 1
. 8 . 1599 . 1 1 11 ASP N N -3.680 -6.137 -1.424 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_2lda 1
. 8 . 1600 . 1 1 11 ASP O O -5.636 -8.572 0.524 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_2lda 1
. 8 . 1601 . 1 1 11 ASP OD1 O -2.831 -10.105 0.079 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_2lda 1
. 8 . 1602 . 1 1 11 ASP OD2 O -2.993 -9.256 2.098 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD2 . . . . . . . . . rr_2lda 1
. 8 . 1603 . 1 1 12 SER C C -8.551 -6.853 -0.344 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_2lda 1
. 8 . 1604 . 1 1 12 SER CA C -7.440 -6.260 0.599 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_2lda 1
. 8 . 1605 . 1 1 12 SER CB C -7.704 -4.812 1.099 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_2lda 1
. 8 . 1606 . 1 1 12 SER H H -5.738 -5.555 -0.489 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_2lda 1
. 8 . 1607 . 1 1 12 SER HA H -7.401 -6.905 1.471 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_2lda 1
. 8 . 1608 . 1 1 12 SER HB2 H -8.757 -4.697 1.302 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_2lda 1
. 8 . 1609 . 1 1 12 SER HB3 H -7.145 -4.632 2.007 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_2lda 1
. 8 . 1610 . 1 1 12 SER HG H -8.110 -3.544 -0.337 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_2lda 1
. 8 . 1611 . 1 1 12 SER N N -6.091 -6.349 -0.035 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_2lda 1
. 8 . 1612 . 1 1 12 SER O O -8.604 -8.073 -0.489 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_2lda 1
. 8 . 1613 . 1 1 12 SER OG O -7.327 -3.860 0.121 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_2lda 1
. 8 . 1614 . 1 1 13 NH2 HN1 H -9.389 -5.084 -0.842 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2lda 1
. 8 . 1615 . 1 1 13 NH2 HN2 H -10.112 -6.478 -1.553 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2lda 1
. 8 . 1616 . 1 1 13 NH2 N N -9.442 -6.052 -0.979 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2lda 1
. 9 . 1617 . 1 1 1 ACE C C 5.080 5.366 3.451 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . rr_2lda 1
. 9 . 1618 . 1 1 1 ACE CH3 C 6.368 5.231 4.238 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . rr_2lda 1
. 9 . 1619 . 1 1 1 ACE H1 H 6.540 6.136 4.802 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . rr_2lda 1
. 9 . 1620 . 1 1 1 ACE H2 H 7.191 5.069 3.557 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . rr_2lda 1
. 9 . 1621 . 1 1 1 ACE H3 H 6.291 4.394 4.915 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . rr_2lda 1
. 9 . 1622 . 1 1 1 ACE O O 4.040 4.833 3.883 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . rr_2lda 1
. 9 . 1623 . 1 1 2 HIS C C 3.723 5.129 0.521 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2lda 1
. 9 . 1624 . 1 1 2 HIS CA C 4.044 6.365 1.377 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2lda 1
. 9 . 1625 . 1 1 2 HIS CB C 4.361 7.575 0.479 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2lda 1
. 9 . 1626 . 1 1 2 HIS CD2 C 2.686 9.492 -0.062 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2lda 1
. 9 . 1627 . 1 1 2 HIS CE1 C 1.302 8.359 -1.328 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2lda 1
. 9 . 1628 . 1 1 2 HIS CG C 3.150 8.221 -0.135 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2lda 1
. 9 . 1629 . 1 1 2 HIS H H 6.049 6.480 2.058 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H . . . . . . . . . rr_2lda 1
. 9 . 1630 . 1 1 2 HIS HA H 3.184 6.600 1.985 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2lda 1
. 9 . 1631 . 1 1 2 HIS HB2 H 4.873 8.324 1.065 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2lda 1
. 9 . 1632 . 1 1 2 HIS HB3 H 5.007 7.259 -0.326 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2lda 1
. 9 . 1633 . 1 1 2 HIS HD1 H 2.321 6.591 -1.182 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2lda 1
. 9 . 1634 . 1 1 2 HIS HD2 H 3.137 10.310 0.483 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2lda 1
. 9 . 1635 . 1 1 2 HIS HE1 H 0.466 8.099 -1.962 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2lda 1
. 9 . 1636 . 1 1 2 HIS HE2 H 0.906 10.301 -0.822 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2lda 1
. 9 . 1637 . 1 1 2 HIS N N 5.175 6.101 2.288 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2lda 1
. 9 . 1638 . 1 1 2 HIS ND1 N 2.259 7.537 -0.936 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2lda 1
. 9 . 1639 . 1 1 2 HIS NE2 N 1.537 9.551 -0.811 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2lda 1
. 9 . 1640 . 1 1 2 HIS O O 2.555 4.941 0.136 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2lda 1
. 9 . 1641 . 1 1 3 LYS C C 3.955 1.939 0.122 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2lda 1
. 9 . 1642 . 1 1 3 LYS CA C 4.703 3.073 -0.593 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2lda 1
. 9 . 1643 . 1 1 3 LYS CB C 6.094 2.571 -1.026 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2lda 1
. 9 . 1644 . 1 1 3 LYS CD C 8.205 2.941 -2.347 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2lda 1
. 9 . 1645 . 1 1 3 LYS CE C 8.970 3.865 -3.290 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2lda 1
. 9 . 1646 . 1 1 3 LYS CG C 6.819 3.480 -2.014 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2lda 1
. 9 . 1647 . 1 1 3 LYS H H 5.674 4.565 0.584 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2lda 1
. 9 . 1648 . 1 1 3 LYS HA H 4.146 3.332 -1.481 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2lda 1
. 9 . 1649 . 1 1 3 LYS HB2 H 6.718 2.456 -0.155 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2lda 1
. 9 . 1650 . 1 1 3 LYS HB3 H 5.976 1.605 -1.493 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2lda 1
. 9 . 1651 . 1 1 3 LYS HD2 H 8.768 2.839 -1.431 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2lda 1
. 9 . 1652 . 1 1 3 LYS HD3 H 8.100 1.973 -2.814 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2lda 1
. 9 . 1653 . 1 1 3 LYS HE2 H 9.079 4.832 -2.821 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2lda 1
. 9 . 1654 . 1 1 3 LYS HE3 H 9.950 3.443 -3.466 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2lda 1
. 9 . 1655 . 1 1 3 LYS HG2 H 6.240 3.538 -2.924 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2lda 1
. 9 . 1656 . 1 1 3 LYS HG3 H 6.920 4.464 -1.586 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2lda 1
. 9 . 1657 . 1 1 3 LYS HZ1 H 7.247 4.044 -4.461 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2lda 1
. 9 . 1658 . 1 1 3 LYS HZ2 H 8.526 3.258 -5.240 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2lda 1
. 9 . 1659 . 1 1 3 LYS HZ3 H 8.564 4.936 -5.038 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2lda 1
. 9 . 1660 . 1 1 3 LYS N N 4.797 4.309 0.231 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2lda 1
. 9 . 1661 . 1 1 3 LYS NZ N 8.278 4.038 -4.599 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2lda 1
. 9 . 1662 . 1 1 3 LYS O O 3.192 1.194 -0.523 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2lda 1
. 9 . 1663 . 1 1 4 . C C 2.001 0.652 2.065 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 C . . . . . . . . . rr_2lda 1
. 9 . 1664 . 1 1 4 . CA C 3.572 0.706 2.353 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CA . . . . . . . . . rr_2lda 1
. 9 . 1665 . 1 1 4 . CB C 3.857 1.057 3.881 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB . . . . . . . . . rr_2lda 1
. 9 . 1666 . 1 1 4 . CB1 C 4.334 -0.621 2.007 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB1 . . . . . . . . . rr_2lda 1
. 9 . 1667 . 1 1 4 . CD C 1.689 0.496 5.230 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CD . . . . . . . . . rr_2lda 1
. 9 . 1668 . 1 1 4 . CE C 0.896 -0.321 6.296 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CE . . . . . . . . . rr_2lda 1
. 9 . 1669 . 1 1 4 . CG C 3.180 0.204 5.022 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CG . . . . . . . . . rr_2lda 1
. 9 . 1670 . 1 1 4 . HB H 3.569 2.088 4.034 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB . . . . . . . . . rr_2lda 1
. 9 . 1671 . 1 1 4 . HB1 H 4.969 -0.899 2.837 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1 . . . . . . . . . rr_2lda 1
. 9 . 1672 . 1 1 4 . HB1A H 4.942 -0.469 1.127 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1A . . . . . . . . . rr_2lda 1
. 9 . 1673 . 1 1 4 . HB1B H 3.620 -1.410 1.817 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1B . . . . . . . . . rr_2lda 1
. 9 . 1674 . 1 1 4 . HBA H 4.922 0.990 4.035 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HBA . . . . . . . . . rr_2lda 1
. 9 . 1675 . 1 1 4 . HD H 1.205 0.338 4.275 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HD . . . . . . . . . rr_2lda 1
. 9 . 1676 . 1 1 4 . HDA H 1.587 1.539 5.479 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HDA . . . . . . . . . rr_2lda 1
. 9 . 1677 . 1 1 4 . HE H 1.046 -0.038 7.327 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HE . . . . . . . . . rr_2lda 1
. 9 . 1678 . 1 1 4 . HG H 3.704 0.401 5.946 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HG . . . . . . . . . rr_2lda 1
. 9 . 1679 . 1 1 4 . HGA H 3.286 -0.840 4.778 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HGA . . . . . . . . . rr_2lda 1
. 9 . 1680 . 1 1 4 . HN H 4.818 2.400 1.924 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HN . . . . . . . . . rr_2lda 1
. 9 . 1681 . 1 1 4 . N N 4.193 1.783 1.492 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 N . . . . . . . . . rr_2lda 1
. 9 . 1682 . 1 1 4 . O O 1.455 -0.339 1.531 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 O . . . . . . . . . rr_2lda 1
. 9 . 1683 . 1 1 5 LEU C C -0.721 1.647 1.009 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2lda 1
. 9 . 1684 . 1 1 5 LEU CA C -0.177 1.939 2.409 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2lda 1
. 9 . 1685 . 1 1 5 LEU CB C -0.610 3.346 2.883 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2lda 1
. 9 . 1686 . 1 1 5 LEU CD1 C -2.524 2.973 4.556 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2lda 1
. 9 . 1687 . 1 1 5 LEU CD2 C -2.465 5.035 3.146 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2lda 1
. 9 . 1688 . 1 1 5 LEU CG C -2.121 3.555 3.194 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2lda 1
. 9 . 1689 . 1 1 5 LEU H H 1.804 2.480 2.952 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2lda 1
. 9 . 1690 . 1 1 5 LEU HA H -0.609 1.215 3.085 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2lda 1
. 9 . 1691 . 1 1 5 LEU HB2 H -0.055 3.578 3.779 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2lda 1
. 9 . 1692 . 1 1 5 LEU HB3 H -0.329 4.054 2.117 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2lda 1
. 9 . 1693 . 1 1 5 LEU HD11 H -1.879 3.371 5.324 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2lda 1
. 9 . 1694 . 1 1 5 LEU HD12 H -2.430 1.897 4.529 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2lda 1
. 9 . 1695 . 1 1 5 LEU HD13 H -3.549 3.238 4.771 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2lda 1
. 9 . 1696 . 1 1 5 LEU HD21 H -2.056 5.527 4.017 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2lda 1
. 9 . 1697 . 1 1 5 LEU HD22 H -3.538 5.156 3.136 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2lda 1
. 9 . 1698 . 1 1 5 LEU HD23 H -2.044 5.474 2.254 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2lda 1
. 9 . 1699 . 1 1 5 LEU HG H -2.710 3.057 2.439 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2lda 1
. 9 . 1700 . 1 1 5 LEU N N 1.294 1.771 2.506 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2lda 1
. 9 . 1701 . 1 1 5 LEU O O -1.946 1.443 0.879 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2lda 1
. 9 . 1702 . 1 1 6 HIS C C -0.323 -0.183 -1.611 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . rr_2lda 1
. 9 . 1703 . 1 1 6 HIS CA C -0.141 1.331 -1.431 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . rr_2lda 1
. 9 . 1704 . 1 1 6 HIS CB C 0.928 1.908 -2.381 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . rr_2lda 1
. 9 . 1705 . 1 1 6 HIS CD2 C 0.405 3.067 -4.657 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . rr_2lda 1
. 9 . 1706 . 1 1 6 HIS CE1 C -0.193 1.290 -5.793 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . rr_2lda 1
. 9 . 1707 . 1 1 6 HIS CG C 0.502 1.999 -3.823 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . rr_2lda 1
. 9 . 1708 . 1 1 6 HIS H H 1.146 1.779 0.202 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . rr_2lda 1
. 9 . 1709 . 1 1 6 HIS HA H -1.089 1.810 -1.632 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . rr_2lda 1
. 9 . 1710 . 1 1 6 HIS HB2 H 1.179 2.909 -2.056 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . rr_2lda 1
. 9 . 1711 . 1 1 6 HIS HB3 H 1.812 1.292 -2.335 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . rr_2lda 1
. 9 . 1712 . 1 1 6 HIS HD1 H 0.082 -0.023 -4.245 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . rr_2lda 1
. 9 . 1713 . 1 1 6 HIS HD2 H 0.633 4.096 -4.415 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . rr_2lda 1
. 9 . 1714 . 1 1 6 HIS HE1 H -0.520 0.646 -6.595 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . rr_2lda 1
. 9 . 1715 . 1 1 6 HIS HE2 H -0.266 3.149 -6.645 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . rr_2lda 1
. 9 . 1716 . 1 1 6 HIS N N 0.206 1.616 -0.018 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . rr_2lda 1
. 9 . 1717 . 1 1 6 HIS ND1 N 0.119 0.902 -4.567 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . rr_2lda 1
. 9 . 1718 . 1 1 6 HIS NE2 N -0.029 2.596 -5.871 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . rr_2lda 1
. 9 . 1719 . 1 1 6 HIS O O -1.315 -0.614 -2.225 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . rr_2lda 1
. 9 . 1720 . 1 1 7 GLN C C -0.545 -3.037 -0.311 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2lda 1
. 9 . 1721 . 1 1 7 GLN CA C 0.663 -2.451 -1.061 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2lda 1
. 9 . 1722 . 1 1 7 GLN CB C 1.953 -3.012 -0.424 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2lda 1
. 9 . 1723 . 1 1 7 GLN CD C 4.345 -3.791 -0.704 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2lda 1
. 9 . 1724 . 1 1 7 GLN CG C 3.141 -3.150 -1.372 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2lda 1
. 9 . 1725 . 1 1 7 GLN H H 1.386 -0.502 -0.571 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2lda 1
. 9 . 1726 . 1 1 7 GLN HA H 0.613 -2.763 -2.094 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2lda 1
. 9 . 1727 . 1 1 7 GLN HB2 H 2.252 -2.364 0.384 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2lda 1
. 9 . 1728 . 1 1 7 GLN HB3 H 1.734 -3.987 -0.016 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2lda 1
. 9 . 1729 . 1 1 7 GLN HE21 H 4.359 -5.259 -2.048 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2lda 1
. 9 . 1730 . 1 1 7 GLN HE22 H 5.588 -5.336 -0.838 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2lda 1
. 9 . 1731 . 1 1 7 GLN HG2 H 2.849 -3.757 -2.211 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2lda 1
. 9 . 1732 . 1 1 7 GLN HG3 H 3.433 -2.175 -1.720 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2lda 1
. 9 . 1733 . 1 1 7 GLN N N 0.655 -0.964 -1.033 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2lda 1
. 9 . 1734 . 1 1 7 GLN NE2 N 4.810 -4.909 -1.252 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2lda 1
. 9 . 1735 . 1 1 7 GLN O O -1.118 -4.045 -0.745 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2lda 1
. 9 . 1736 . 1 1 7 GLN OE1 O 4.860 -3.279 0.289 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2lda 1
. 9 . 1737 . 1 1 8 . C C -3.360 -2.772 0.929 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 C . . . . . . . . . rr_2lda 1
. 9 . 1738 . 1 1 8 . CA C -2.026 -2.774 1.759 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CA . . . . . . . . . rr_2lda 1
. 9 . 1739 . 1 1 8 . CB C -2.197 -1.696 2.889 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB . . . . . . . . . rr_2lda 1
. 9 . 1740 . 1 1 8 . CB1 C -1.739 -4.150 2.438 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB1 . . . . . . . . . rr_2lda 1
. 9 . 1741 . 1 1 8 . CD C -0.416 -2.013 4.707 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CD . . . . . . . . . rr_2lda 1
. 9 . 1742 . 1 1 8 . CE C 0.013 -1.371 6.072 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CE . . . . . . . . . rr_2lda 1
. 9 . 1743 . 1 1 8 . CG C -0.923 -1.121 3.577 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CG . . . . . . . . . rr_2lda 1
. 9 . 1744 . 1 1 8 . HB H -2.816 -2.129 3.660 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB . . . . . . . . . rr_2lda 1
. 9 . 1745 . 1 1 8 . HB1 H -1.221 -3.983 3.371 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1 . . . . . . . . . rr_2lda 1
. 9 . 1746 . 1 1 8 . HB1A H -1.125 -4.754 1.789 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1A . . . . . . . . . rr_2lda 1
. 9 . 1747 . 1 1 8 . HB1B H -2.672 -4.659 2.629 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1B . . . . . . . . . rr_2lda 1
. 9 . 1748 . 1 1 8 . HBA H -2.726 -0.858 2.468 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HBA . . . . . . . . . rr_2lda 1
. 9 . 1749 . 1 1 8 . HD H 0.430 -2.571 4.324 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HD . . . . . . . . . rr_2lda 1
. 9 . 1750 . 1 1 8 . HDA H -1.199 -2.713 4.931 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HDA . . . . . . . . . rr_2lda 1
. 9 . 1751 . 1 1 8 . HE H -0.434 -1.803 6.954 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HE . . . . . . . . . rr_2lda 1
. 9 . 1752 . 1 1 8 . HG H -1.146 -0.140 3.975 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HG . . . . . . . . . rr_2lda 1
. 9 . 1753 . 1 1 8 . HGA H -0.148 -1.033 2.841 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HGA . . . . . . . . . rr_2lda 1
. 9 . 1754 . 1 1 8 . HN H -0.389 -1.600 1.093 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HN . . . . . . . . . rr_2lda 1
. 9 . 1755 . 1 1 8 . N N -0.903 -2.380 0.848 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 N . . . . . . . . . rr_2lda 1
. 9 . 1756 . 1 1 8 . O O -4.331 -3.528 1.213 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 O . . . . . . . . . rr_2lda 1
. 9 . 1757 . 1 1 9 LEU C C -4.913 -2.756 -1.874 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_2lda 1
. 9 . 1758 . 1 1 9 LEU CA C -4.554 -1.571 -0.965 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_2lda 1
. 9 . 1759 . 1 1 9 LEU CB C -4.301 -0.297 -1.846 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_2lda 1
. 9 . 1760 . 1 1 9 LEU CD1 C -6.559 -0.132 -3.205 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_2lda 1
. 9 . 1761 . 1 1 9 LEU CD2 C -6.195 1.335 -1.180 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_2lda 1
. 9 . 1762 . 1 1 9 LEU CG C -5.511 0.601 -2.340 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_2lda 1
. 9 . 1763 . 1 1 9 LEU H H -2.605 -1.249 -0.179 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_2lda 1
. 9 . 1764 . 1 1 9 LEU HA H -5.400 -1.373 -0.327 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_2lda 1
. 9 . 1765 . 1 1 9 LEU HB2 H -3.647 0.350 -1.285 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_2lda 1
. 9 . 1766 . 1 1 9 LEU HB3 H -3.760 -0.620 -2.725 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_2lda 1
. 9 . 1767 . 1 1 9 LEU HD11 H -7.425 0.502 -3.334 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_2lda 1
. 9 . 1768 . 1 1 9 LEU HD12 H -6.854 -1.047 -2.715 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_2lda 1
. 9 . 1769 . 1 1 9 LEU HD13 H -6.133 -0.361 -4.171 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_2lda 1
. 9 . 1770 . 1 1 9 LEU HD21 H -5.477 1.510 -0.391 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_2lda 1
. 9 . 1771 . 1 1 9 LEU HD22 H -7.007 0.733 -0.801 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_2lda 1
. 9 . 1772 . 1 1 9 LEU HD23 H -6.581 2.281 -1.531 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_2lda 1
. 9 . 1773 . 1 1 9 LEU HG H -5.092 1.367 -2.977 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_2lda 1
. 9 . 1774 . 1 1 9 LEU N N -3.392 -1.824 -0.074 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_2lda 1
. 9 . 1775 . 1 1 9 LEU O O -6.117 -2.992 -2.100 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_2lda 1
. 9 . 1776 . 1 1 10 GLN C C -4.318 -5.931 -2.690 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . rr_2lda 1
. 9 . 1777 . 1 1 10 GLN CA C -4.010 -4.595 -3.370 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . rr_2lda 1
. 9 . 1778 . 1 1 10 GLN CB C -2.770 -4.736 -4.274 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . rr_2lda 1
. 9 . 1779 . 1 1 10 GLN CD C -3.710 -3.770 -6.453 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . rr_2lda 1
. 9 . 1780 . 1 1 10 GLN CG C -2.651 -3.662 -5.360 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . rr_2lda 1
. 9 . 1781 . 1 1 10 GLN H H -2.943 -3.162 -2.201 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . rr_2lda 1
. 9 . 1782 . 1 1 10 GLN HA H -4.850 -4.354 -4.002 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . rr_2lda 1
. 9 . 1783 . 1 1 10 GLN HB2 H -1.883 -4.683 -3.661 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . rr_2lda 1
. 9 . 1784 . 1 1 10 GLN HB3 H -2.800 -5.702 -4.758 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . rr_2lda 1
. 9 . 1785 . 1 1 10 GLN HE21 H -2.298 -3.860 -7.854 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . rr_2lda 1
. 9 . 1786 . 1 1 10 GLN HE22 H -3.927 -3.929 -8.427 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . rr_2lda 1
. 9 . 1787 . 1 1 10 GLN HG2 H -2.740 -2.694 -4.895 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . rr_2lda 1
. 9 . 1788 . 1 1 10 GLN HG3 H -1.676 -3.748 -5.819 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . rr_2lda 1
. 9 . 1789 . 1 1 10 GLN N N -3.851 -3.457 -2.423 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . rr_2lda 1
. 9 . 1790 . 1 1 10 GLN NE2 N -3.267 -3.864 -7.704 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . rr_2lda 1
. 9 . 1791 . 1 1 10 GLN O O -5.144 -6.695 -3.232 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . rr_2lda 1
. 9 . 1792 . 1 1 10 GLN OE1 O -4.908 -3.762 -6.173 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . rr_2lda 1
. 9 . 1793 . 1 1 11 ASP C C -5.208 -7.515 -0.097 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_2lda 1
. 9 . 1794 . 1 1 11 ASP CA C -3.811 -7.449 -0.730 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_2lda 1
. 9 . 1795 . 1 1 11 ASP CB C -2.707 -7.573 0.339 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_2lda 1
. 9 . 1796 . 1 1 11 ASP CG C -2.748 -8.896 1.089 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_2lda 1
. 9 . 1797 . 1 1 11 ASP H H -3.011 -5.525 -1.180 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_2lda 1
. 9 . 1798 . 1 1 11 ASP HA H -3.717 -8.275 -1.422 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_2lda 1
. 9 . 1799 . 1 1 11 ASP HB2 H -1.741 -7.495 -0.139 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_2lda 1
. 9 . 1800 . 1 1 11 ASP HB3 H -2.811 -6.772 1.053 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_2lda 1
. 9 . 1801 . 1 1 11 ASP N N -3.641 -6.199 -1.514 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_2lda 1
. 9 . 1802 . 1 1 11 ASP O O -5.801 -8.609 -0.037 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_2lda 1
. 9 . 1803 . 1 1 11 ASP OD1 O -3.786 -9.190 1.716 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_2lda 1
. 9 . 1804 . 1 1 11 ASP OD2 O -1.743 -9.634 1.045 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD2 . . . . . . . . . rr_2lda 1
. 9 . 1805 . 1 1 12 SER C C -8.153 -6.008 0.012 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_2lda 1
. 9 . 1806 . 1 1 12 SER CA C -7.014 -6.157 1.039 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_2lda 1
. 9 . 1807 . 1 1 12 SER CB C -6.963 -4.947 1.991 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_2lda 1
. 9 . 1808 . 1 1 12 SER H H -5.131 -5.525 0.285 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_2lda 1
. 9 . 1809 . 1 1 12 SER HA H -7.199 -7.049 1.624 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_2lda 1
. 9 . 1810 . 1 1 12 SER HB2 H -6.949 -4.032 1.420 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_2lda 1
. 9 . 1811 . 1 1 12 SER HB3 H -7.829 -4.955 2.640 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_2lda 1
. 9 . 1812 . 1 1 12 SER HG H -6.012 -5.408 3.639 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_2lda 1
. 9 . 1813 . 1 1 12 SER N N -5.697 -6.319 0.380 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_2lda 1
. 9 . 1814 . 1 1 12 SER O O -9.308 -5.794 0.387 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_2lda 1
. 9 . 1815 . 1 1 12 SER OG O -5.801 -4.995 2.800 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_2lda 1
. 9 . 1816 . 1 1 13 NH2 HN1 H -6.976 -6.653 -1.466 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2lda 1
. 9 . 1817 . 1 1 13 NH2 HN2 H -8.596 -6.267 -1.920 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2lda 1
. 9 . 1818 . 1 1 13 NH2 N N -7.877 -6.340 -1.252 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2lda 1
. 10 . 1819 . 1 1 1 ACE C C 5.118 5.261 3.493 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . rr_2lda 1
. 10 . 1820 . 1 1 1 ACE CH3 C 6.366 5.096 4.337 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . rr_2lda 1
. 10 . 1821 . 1 1 1 ACE H1 H 6.593 6.029 4.832 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . rr_2lda 1
. 10 . 1822 . 1 1 1 ACE H2 H 7.195 4.815 3.704 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . rr_2lda 1
. 10 . 1823 . 1 1 1 ACE H3 H 6.202 4.327 5.078 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . rr_2lda 1
. 10 . 1824 . 1 1 1 ACE O O 4.043 4.771 3.888 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . rr_2lda 1
. 10 . 1825 . 1 1 2 HIS C C 3.863 5.026 0.510 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2lda 1
. 10 . 1826 . 1 1 2 HIS CA C 4.198 6.263 1.362 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2lda 1
. 10 . 1827 . 1 1 2 HIS CB C 4.601 7.450 0.463 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2lda 1
. 10 . 1828 . 1 1 2 HIS CD2 C 3.028 9.411 -0.202 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2lda 1
. 10 . 1829 . 1 1 2 HIS CE1 C 1.695 8.311 -1.551 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2lda 1
. 10 . 1830 . 1 1 2 HIS CG C 3.451 8.124 -0.231 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2lda 1
. 10 . 1831 . 1 1 2 HIS H H 6.179 6.325 2.126 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H . . . . . . . . . rr_2lda 1
. 10 . 1832 . 1 1 2 HIS HA H 3.322 6.539 1.930 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2lda 1
. 10 . 1833 . 1 1 2 HIS HB2 H 5.100 8.193 1.066 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2lda 1
. 10 . 1834 . 1 1 2 HIS HB3 H 5.285 7.103 -0.298 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2lda 1
. 10 . 1835 . 1 1 2 HIS HD1 H 2.638 6.510 -1.315 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2lda 1
. 10 . 1836 . 1 1 2 HIS HD2 H 3.469 10.220 0.364 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2lda 1
. 10 . 1837 . 1 1 2 HIS HE1 H 0.899 8.073 -2.241 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2lda 1
. 10 . 1838 . 1 1 2 HIS HE2 H 1.491 10.332 -1.295 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2lda 1
. 10 . 1839 . 1 1 2 HIS N N 5.284 5.975 2.324 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2lda 1
. 10 . 1840 . 1 1 2 HIS ND1 N 2.594 7.461 -1.084 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2lda 1
. 10 . 1841 . 1 1 2 HIS NE2 N 1.936 9.500 -1.030 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2lda 1
. 10 . 1842 . 1 1 2 HIS O O 2.710 4.894 0.061 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2lda 1
. 10 . 1843 . 1 1 3 LYS C C 3.938 1.809 0.192 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_2lda 1
. 10 . 1844 . 1 1 3 LYS CA C 4.781 2.886 -0.502 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_2lda 1
. 10 . 1845 . 1 1 3 LYS CB C 6.158 2.298 -0.855 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_2lda 1
. 10 . 1846 . 1 1 3 LYS CD C 8.224 2.360 -2.288 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_2lda 1
. 10 . 1847 . 1 1 3 LYS CE C 9.031 3.136 -3.326 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_2lda 1
. 10 . 1848 . 1 1 3 LYS CG C 6.910 3.052 -1.948 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_2lda 1
. 10 . 1849 . 1 1 3 LYS H H 5.769 4.344 0.704 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_2lda 1
. 10 . 1850 . 1 1 3 LYS HA H 4.284 3.154 -1.420 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_2lda 1
. 10 . 1851 . 1 1 3 LYS HB2 H 6.773 2.285 0.029 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_2lda 1
. 10 . 1852 . 1 1 3 LYS HB3 H 6.018 1.282 -1.189 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_2lda 1
. 10 . 1853 . 1 1 3 LYS HD2 H 8.813 2.270 -1.388 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_2lda 1
. 10 . 1854 . 1 1 3 LYS HD3 H 8.008 1.376 -2.677 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_2lda 1
. 10 . 1855 . 1 1 3 LYS HE2 H 8.431 3.262 -4.215 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_2lda 1
. 10 . 1856 . 1 1 3 LYS HE3 H 9.283 4.106 -2.921 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_2lda 1
. 10 . 1857 . 1 1 3 LYS HG2 H 6.292 3.088 -2.834 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_2lda 1
. 10 . 1858 . 1 1 3 LYS HG3 H 7.120 4.055 -1.613 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_2lda 1
. 10 . 1859 . 1 1 3 LYS HZ1 H 10.359 2.335 -4.727 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_2lda 1
. 10 . 1860 . 1 1 3 LYS HZ2 H 10.302 1.478 -3.270 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_2lda 1
. 10 . 1861 . 1 1 3 LYS HZ3 H 11.113 2.960 -3.346 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_2lda 1
. 10 . 1862 . 1 1 3 LYS N N 4.902 4.136 0.300 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_2lda 1
. 10 . 1863 . 1 1 3 LYS NZ N 10.289 2.427 -3.693 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_2lda 1
. 10 . 1864 . 1 1 3 LYS O O 3.110 1.144 -0.462 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_2lda 1
. 10 . 1865 . 1 1 4 . C C 1.920 0.600 2.113 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 C . . . . . . . . . rr_2lda 1
. 10 . 1866 . 1 1 4 . CA C 3.484 0.571 2.401 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CA . . . . . . . . . rr_2lda 1
. 10 . 1867 . 1 1 4 . CB C 3.774 0.919 3.923 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB . . . . . . . . . rr_2lda 1
. 10 . 1868 . 1 1 4 . CB1 C 4.177 -0.788 2.065 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CB1 . . . . . . . . . rr_2lda 1
. 10 . 1869 . 1 1 4 . CD C 1.606 0.586 5.288 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CD . . . . . . . . . rr_2lda 1
. 10 . 1870 . 1 1 4 . CE C 0.721 -0.143 6.341 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CE . . . . . . . . . rr_2lda 1
. 10 . 1871 . 1 1 4 . CG C 3.044 0.121 5.066 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 CG . . . . . . . . . rr_2lda 1
. 10 . 1872 . 1 1 4 . HB H 3.544 1.967 4.064 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB . . . . . . . . . rr_2lda 1
. 10 . 1873 . 1 1 4 . HB1 H 4.662 -0.716 1.102 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1 . . . . . . . . . rr_2lda 1
. 10 . 1874 . 1 1 4 . HB1A H 3.437 -1.573 2.036 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1A . . . . . . . . . rr_2lda 1
. 10 . 1875 . 1 1 4 . HB1B H 4.912 -1.014 2.824 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HB1B . . . . . . . . . rr_2lda 1
. 10 . 1876 . 1 1 4 . HBA H 4.831 0.793 4.087 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HBA . . . . . . . . . rr_2lda 1
. 10 . 1877 . 1 1 4 . HD H 1.105 0.507 4.333 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HD . . . . . . . . . rr_2lda 1
. 10 . 1878 . 1 1 4 . HDA H 1.637 1.626 5.556 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HDA . . . . . . . . . rr_2lda 1
. 10 . 1879 . 1 1 4 . HE H 0.852 0.159 7.369 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HE . . . . . . . . . rr_2lda 1
. 10 . 1880 . 1 1 4 . HG H 3.600 0.245 5.985 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HG . . . . . . . . . rr_2lda 1
. 10 . 1881 . 1 1 4 . HGA H 3.026 -0.925 4.801 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HGA . . . . . . . . . rr_2lda 1
. 10 . 1882 . 1 1 4 . HN H 4.859 2.155 1.982 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 HN . . . . . . . . . rr_2lda 1
. 10 . 1883 . 1 1 4 . N N 4.176 1.606 1.550 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 N . . . . . . . . . rr_2lda 1
. 10 . 1884 . 1 1 4 . O O 1.285 -0.421 1.769 . . . 1.0 . . . . . . . . . . . . A . 3 MK8 O . . . . . . . . . rr_2lda 1
. 10 . 1885 . 1 1 5 LEU C C -0.671 1.650 0.839 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2lda 1
. 10 . 1886 . 1 1 5 LEU CA C -0.115 2.125 2.187 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2lda 1
. 10 . 1887 . 1 1 5 LEU CB C -0.398 3.660 2.374 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2lda 1
. 10 . 1888 . 1 1 5 LEU CD1 C -2.999 3.779 1.963 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2lda 1
. 10 . 1889 . 1 1 5 LEU CD2 C -2.111 3.772 4.312 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2lda 1
. 10 . 1890 . 1 1 5 LEU CG C -1.816 4.171 2.865 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2lda 1
. 10 . 1891 . 1 1 5 LEU H H 1.918 2.567 2.635 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2lda 1
. 10 . 1892 . 1 1 5 LEU HA H -0.626 1.586 2.969 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2lda 1
. 10 . 1893 . 1 1 5 LEU HB2 H 0.324 4.029 3.086 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2lda 1
. 10 . 1894 . 1 1 5 LEU HB3 H -0.193 4.139 1.427 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2lda 1
. 10 . 1895 . 1 1 5 LEU HD11 H -2.864 4.210 0.985 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2lda 1
. 10 . 1896 . 1 1 5 LEU HD12 H -3.917 4.147 2.398 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2lda 1
. 10 . 1897 . 1 1 5 LEU HD13 H -3.046 2.702 1.883 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2lda 1
. 10 . 1898 . 1 1 5 LEU HD21 H -3.167 3.898 4.509 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2lda 1
. 10 . 1899 . 1 1 5 LEU HD22 H -1.544 4.402 4.981 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2lda 1
. 10 . 1900 . 1 1 5 LEU HD23 H -1.836 2.741 4.464 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2lda 1
. 10 . 1901 . 1 1 5 LEU HG H -1.781 5.251 2.851 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2lda 1
. 10 . 1902 . 1 1 5 LEU N N 1.336 1.837 2.332 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2lda 1
. 10 . 1903 . 1 1 5 LEU O O -1.844 1.232 0.783 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2lda 1
. 10 . 1904 . 1 1 6 HIS C C -0.393 -0.186 -1.713 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . rr_2lda 1
. 10 . 1905 . 1 1 6 HIS CA C -0.159 1.331 -1.621 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . rr_2lda 1
. 10 . 1906 . 1 1 6 HIS CB C 0.939 1.801 -2.595 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . rr_2lda 1
. 10 . 1907 . 1 1 6 HIS CD2 C 0.356 2.849 -4.905 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . rr_2lda 1
. 10 . 1908 . 1 1 6 HIS CE1 C -0.052 0.998 -6.005 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . rr_2lda 1
. 10 . 1909 . 1 1 6 HIS CG C 0.534 1.815 -4.044 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . rr_2lda 1
. 10 . 1910 . 1 1 6 HIS H H 1.096 2.080 -0.081 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . rr_2lda 1
. 10 . 1911 . 1 1 6 HIS HA H -1.083 1.828 -1.877 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . rr_2lda 1
. 10 . 1912 . 1 1 6 HIS HB2 H 1.231 2.807 -2.332 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . rr_2lda 1
. 10 . 1913 . 1 1 6 HIS HB3 H 1.795 1.151 -2.498 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . rr_2lda 1
. 10 . 1914 . 1 1 6 HIS HD1 H 0.307 -0.246 -4.419 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . rr_2lda 1
. 10 . 1915 . 1 1 6 HIS HD2 H 0.473 3.900 -4.682 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . rr_2lda 1
. 10 . 1916 . 1 1 6 HIS HE1 H -0.304 0.308 -6.796 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . rr_2lda 1
. 10 . 1917 . 1 1 6 HIS HE2 H -0.136 2.814 -6.945 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . rr_2lda 1
. 10 . 1918 . 1 1 6 HIS N N 0.194 1.731 -0.238 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . rr_2lda 1
. 10 . 1919 . 1 1 6 HIS ND1 N 0.267 0.670 -4.764 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . rr_2lda 1
. 10 . 1920 . 1 1 6 HIS NE2 N -0.006 2.311 -6.114 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . rr_2lda 1
. 10 . 1921 . 1 1 6 HIS O O -1.375 -0.610 -2.352 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . rr_2lda 1
. 10 . 1922 . 1 1 7 GLN C C -0.744 -2.967 -0.244 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2lda 1
. 10 . 1923 . 1 1 7 GLN CA C 0.474 -2.467 -1.026 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2lda 1
. 10 . 1924 . 1 1 7 GLN CB C 1.753 -3.061 -0.412 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2lda 1
. 10 . 1925 . 1 1 7 GLN CD C 3.069 -4.262 -2.214 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2lda 1
. 10 . 1926 . 1 1 7 GLN CG C 2.970 -3.037 -1.329 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2lda 1
. 10 . 1927 . 1 1 7 GLN H H 1.268 -0.525 -0.590 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2lda 1
. 10 . 1928 . 1 1 7 GLN HA H 0.382 -2.810 -2.046 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2lda 1
. 10 . 1929 . 1 1 7 GLN HB2 H 2.002 -2.517 0.485 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2lda 1
. 10 . 1930 . 1 1 7 GLN HB3 H 1.555 -4.088 -0.146 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2lda 1
. 10 . 1931 . 1 1 7 GLN HE21 H 4.855 -4.692 -1.446 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2lda 1
. 10 . 1932 . 1 1 7 GLN HE22 H 4.274 -5.779 -2.654 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2lda 1
. 10 . 1933 . 1 1 7 GLN HG2 H 2.912 -2.172 -1.964 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2lda 1
. 10 . 1934 . 1 1 7 GLN HG3 H 3.862 -2.976 -0.722 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2lda 1
. 10 . 1935 . 1 1 7 GLN N N 0.530 -0.978 -1.058 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2lda 1
. 10 . 1936 . 1 1 7 GLN NE2 N 4.177 -4.985 -2.092 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2lda 1
. 10 . 1937 . 1 1 7 GLN O O -1.363 -3.965 -0.633 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2lda 1
. 10 . 1938 . 1 1 7 GLN OE1 O 2.167 -4.554 -2.997 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2lda 1
. 10 . 1939 . 1 1 8 . C C -3.532 -2.473 0.937 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 C . . . . . . . . . rr_2lda 1
. 10 . 1940 . 1 1 8 . CA C -2.223 -2.535 1.800 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CA . . . . . . . . . rr_2lda 1
. 10 . 1941 . 1 1 8 . CB C -2.349 -1.401 2.875 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB . . . . . . . . . rr_2lda 1
. 10 . 1942 . 1 1 8 . CB1 C -2.026 -3.912 2.525 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CB1 . . . . . . . . . rr_2lda 1
. 10 . 1943 . 1 1 8 . CD C -0.648 -1.785 4.749 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CD . . . . . . . . . rr_2lda 1
. 10 . 1944 . 1 1 8 . CE C -0.225 -1.134 6.111 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CE . . . . . . . . . rr_2lda 1
. 10 . 1945 . 1 1 8 . CG C -1.058 -0.895 3.577 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 CG . . . . . . . . . rr_2lda 1
. 10 . 1946 . 1 1 8 . HB H -3.026 -1.748 3.642 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB . . . . . . . . . rr_2lda 1
. 10 . 1947 . 1 1 8 . HB1 H -0.974 -4.076 2.711 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1 . . . . . . . . . rr_2lda 1
. 10 . 1948 . 1 1 8 . HB1A H -2.408 -4.707 1.902 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1A . . . . . . . . . rr_2lda 1
. 10 . 1949 . 1 1 8 . HB1B H -2.561 -3.904 3.464 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HB1B . . . . . . . . . rr_2lda 1
. 10 . 1950 . 1 1 8 . HBA H -2.797 -0.546 2.397 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HBA . . . . . . . . . rr_2lda 1
. 10 . 1951 . 1 1 8 . HD H 0.175 -2.403 4.411 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HD . . . . . . . . . rr_2lda 1
. 10 . 1952 . 1 1 8 . HDA H -1.479 -2.431 4.961 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HDA . . . . . . . . . rr_2lda 1
. 10 . 1953 . 1 1 8 . HE H -0.733 -1.507 6.987 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HE . . . . . . . . . rr_2lda 1
. 10 . 1954 . 1 1 8 . HG H -1.224 0.109 3.938 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HG . . . . . . . . . rr_2lda 1
. 10 . 1955 . 1 1 8 . HGA H -0.260 -0.886 2.862 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HGA . . . . . . . . . rr_2lda 1
. 10 . 1956 . 1 1 8 . HN H -0.536 -1.471 1.080 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 HN . . . . . . . . . rr_2lda 1
. 10 . 1957 . 1 1 8 . N N -1.077 -2.238 0.880 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 N . . . . . . . . . rr_2lda 1
. 10 . 1958 . 1 1 8 . O O -4.526 -3.216 1.159 . . . 1.0 . . . . . . . . . . . . A . 7 MK8 O . . . . . . . . . rr_2lda 1
. 10 . 1959 . 1 1 9 LEU C C -4.899 -2.418 -1.892 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_2lda 1
. 10 . 1960 . 1 1 9 LEU CA C -4.602 -1.215 -0.987 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_2lda 1
. 10 . 1961 . 1 1 9 LEU CB C -4.243 0.029 -1.872 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_2lda 1
. 10 . 1962 . 1 1 9 LEU CD1 C -6.412 0.275 -3.355 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_2lda 1
. 10 . 1963 . 1 1 9 LEU CD2 C -6.073 1.770 -1.343 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_2lda 1
. 10 . 1964 . 1 1 9 LEU CG C -5.375 0.973 -2.450 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_2lda 1
. 10 . 1965 . 1 1 9 LEU H H -2.683 -0.958 -0.119 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_2lda 1
. 10 . 1966 . 1 1 9 LEU HA H -5.482 -0.988 -0.404 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_2lda 1
. 10 . 1967 . 1 1 9 LEU HB2 H -3.591 0.656 -1.284 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_2lda 1
. 10 . 1968 . 1 1 9 LEU HB3 H -3.669 -0.336 -2.711 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_2lda 1
. 10 . 1969 . 1 1 9 LEU HD11 H -6.842 -0.564 -2.828 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_2lda 1
. 10 . 1970 . 1 1 9 LEU HD12 H -5.930 -0.074 -4.256 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_2lda 1
. 10 . 1971 . 1 1 9 LEU HD13 H -7.193 0.976 -3.614 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_2lda 1
. 10 . 1972 . 1 1 9 LEU HD21 H -6.956 2.246 -1.742 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_2lda 1
. 10 . 1973 . 1 1 9 LEU HD22 H -5.399 2.526 -0.965 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_2lda 1
. 10 . 1974 . 1 1 9 LEU HD23 H -6.352 1.104 -0.541 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_2lda 1
. 10 . 1975 . 1 1 9 LEU HG H -4.881 1.699 -3.081 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_2lda 1
. 10 . 1976 . 1 1 9 LEU N N -3.494 -1.505 -0.049 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_2lda 1
. 10 . 1977 . 1 1 9 LEU O O -6.071 -2.653 -2.237 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_2lda 1
. 10 . 1978 . 1 1 10 GLN C C -4.222 -5.638 -2.510 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . rr_2lda 1
. 10 . 1979 . 1 1 10 GLN CA C -3.846 -4.315 -3.202 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . rr_2lda 1
. 10 . 1980 . 1 1 10 GLN CB C -2.507 -4.478 -3.950 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . rr_2lda 1
. 10 . 1981 . 1 1 10 GLN CD C -3.226 -3.648 -6.275 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . rr_2lda 1
. 10 . 1982 . 1 1 10 GLN CG C -2.281 -3.472 -5.086 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . rr_2lda 1
. 10 . 1983 . 1 1 10 GLN H H -2.912 -2.840 -1.978 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . rr_2lda 1
. 10 . 1984 . 1 1 10 GLN HA H -4.604 -4.102 -3.941 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . rr_2lda 1
. 10 . 1985 . 1 1 10 GLN HB2 H -1.701 -4.360 -3.240 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . rr_2lda 1
. 10 . 1986 . 1 1 10 GLN HB3 H -2.459 -5.475 -4.365 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . rr_2lda 1
. 10 . 1987 . 1 1 10 GLN HE21 H -1.683 -3.837 -7.520 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . rr_2lda 1
. 10 . 1988 . 1 1 10 GLN HE22 H -3.247 -3.936 -8.248 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . rr_2lda 1
. 10 . 1989 . 1 1 10 GLN HG2 H -2.413 -2.477 -4.695 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . rr_2lda 1
. 10 . 1990 . 1 1 10 GLN HG3 H -1.265 -3.581 -5.441 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . rr_2lda 1
. 10 . 1991 . 1 1 10 GLN N N -3.793 -3.142 -2.292 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . rr_2lda 1
. 10 . 1992 . 1 1 10 GLN NE2 N -2.661 -3.827 -7.468 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . rr_2lda 1
. 10 . 1993 . 1 1 10 GLN O O -5.166 -6.305 -2.976 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . rr_2lda 1
. 10 . 1994 . 1 1 10 GLN OE1 O -4.446 -3.610 -6.122 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . rr_2lda 1
. 10 . 1995 . 1 1 11 ASP C C -4.919 -7.414 0.110 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_2lda 1
. 10 . 1996 . 1 1 11 ASP CA C -3.602 -7.312 -0.703 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_2lda 1
. 10 . 1997 . 1 1 11 ASP CB C -2.362 -7.586 0.186 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_2lda 1
. 10 . 1998 . 1 1 11 ASP CG C -2.359 -8.976 0.795 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_2lda 1
. 10 . 1999 . 1 1 11 ASP H H -2.675 -5.451 -1.191 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_2lda 1
. 10 . 2000 . 1 1 11 ASP HA H -3.633 -8.090 -1.455 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_2lda 1
. 10 . 2001 . 1 1 11 ASP HB2 H -1.471 -7.495 -0.416 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_2lda 1
. 10 . 2002 . 1 1 11 ASP HB3 H -2.315 -6.866 0.989 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_2lda 1
. 10 . 2003 . 1 1 11 ASP N N -3.429 -6.029 -1.441 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_2lda 1
. 10 . 2004 . 1 1 11 ASP O O -5.161 -8.490 0.692 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_2lda 1
. 10 . 2005 . 1 1 11 ASP OD1 O -2.985 -9.170 1.856 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_2lda 1
. 10 . 2006 . 1 1 11 ASP OD2 O -1.731 -9.875 0.202 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD2 . . . . . . . . . rr_2lda 1
. 10 . 2007 . 1 1 12 SER C C -8.210 -6.987 -0.038 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_2lda 1
. 10 . 2008 . 1 1 12 SER CA C -7.096 -6.293 0.832 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_2lda 1
. 10 . 2009 . 1 1 12 SER CB C -7.419 -4.851 1.300 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_2lda 1
. 10 . 2010 . 1 1 12 SER H H -5.525 -5.509 -0.395 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_2lda 1
. 10 . 2011 . 1 1 12 SER HA H -6.966 -6.908 1.719 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_2lda 1
. 10 . 2012 . 1 1 12 SER HB2 H -7.367 -4.182 0.458 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_2lda 1
. 10 . 2013 . 1 1 12 SER HB3 H -8.411 -4.824 1.725 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_2lda 1
. 10 . 2014 . 1 1 12 SER HG H -6.921 -4.413 3.143 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_2lda 1
. 10 . 2015 . 1 1 12 SER N N -5.783 -6.311 0.114 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_2lda 1
. 10 . 2016 . 1 1 12 SER O O -8.133 -8.203 -0.214 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_2lda 1
. 10 . 2017 . 1 1 12 SER OG O -6.494 -4.422 2.284 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_2lda 1
. 10 . 2018 . 1 1 13 NH2 HN1 H -9.356 -5.340 -0.340 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2lda 1
. 10 . 2019 . 1 1 13 NH2 HN2 H -9.922 -6.793 -1.078 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2lda 1
. 10 . 2020 . 1 1 13 NH2 N N -9.273 -6.298 -0.533 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2lda 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_2lda
_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 2lda.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2lda 1
1 2lda.mr . . XPLOR/CNS 2 distance NOE simple 455 rr_2lda 1
1 2lda.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2lda 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_2lda
_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: '2lda'" . . . . distance "general distance" . 278 rr_2lda 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 2lda.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2lda 1
1 2lda.mr . . XPLOR/CNS 2 distance NOE simple 455 rr_2lda 1
1 2lda.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2lda 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_2lda
_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_2lda 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 2 2 HIS H H . . . 1 1 2 2 HIS HA H . . . . . 0.0 -1.8 2.97180 . . . . . A . 1 HIS H . . A . 1 HIS HA . . . 1 . HN . . . . . 1 . HA . . rr_2lda 1
2 1 . . 1 1 2 2 HIS H H . . . 1 1 2 2 HIS HB3 H . . . . . 0.0 -1.8 3.73171 . . . . . A . 1 HIS H . . A . 1 HIS HB3 . . . 1 . HN . . . . . 1 . HB1 . . rr_2lda 1
3 1 . . 1 1 2 2 HIS HA H . . . 1 1 2 2 HIS HB3 H . . . . . 0.0 -1.8 3.11628 . . . . . A . 1 HIS HA . . A . 1 HIS HB3 . . . 1 . HA . . . . . 1 . HB1 . . rr_2lda 1
4 1 . . 1 1 2 2 HIS H H . . . 1 1 2 2 HIS HB2 H . . . . . 0.0 -1.8 2.73536 . . . . . A . 1 HIS H . . A . 1 HIS HB2 . . . 1 . HN . . . . . 1 . HB2 . . rr_2lda 1
5 1 . . 1 1 2 2 HIS HA H . . . 1 1 2 2 HIS HB2 H . . . . . 0.0 -1.8 3.10728 . . . . . A . 1 HIS HA . . A . 1 HIS HB2 . . . 1 . HA . . . . . 1 . HB2 . . rr_2lda 1
6 1 . . 1 1 2 2 HIS HB3 H . . . 1 1 2 2 HIS HB2 H . . . . . 0.0 -1.8 1.85580 . . . . . A . 1 HIS HB3 . . A . 1 HIS HB2 . . . 1 . HB1 . . . . . 1 . HB2 . . rr_2lda 1
7 1 . . 1 1 2 2 HIS HA H . . . 1 1 2 2 HIS HD2 H . . . . . 0.0 -1.8 4.46033 . . . . . A . 1 HIS HA . . A . 1 HIS HD2 . . . 1 . HA . . . . . 1 . HD2 . . rr_2lda 1
8 1 . . 1 1 2 2 HIS HB3 H . . . 1 1 2 2 HIS HD2 H . . . . . 0.0 -1.8 3.71303 . . . . . A . 1 HIS HB3 . . A . 1 HIS HD2 . . . 1 . HB1 . . . . . 1 . HD2 . . rr_2lda 1
9 1 . . 1 1 2 2 HIS HB2 H . . . 1 1 2 2 HIS HD2 H . . . . . 0.0 -1.8 3.79663 . . . . . A . 1 HIS HB2 . . A . 1 HIS HD2 . . . 1 . HB2 . . . . . 1 . HD2 . . rr_2lda 1
10 1 . . 1 1 2 2 HIS HD2 H . . . 1 1 2 2 HIS HE1 H . . . . . 0.0 -1.8 4.34318 . . . . . A . 1 HIS HD2 . . A . 1 HIS HE1 . . . 1 . HD2 . . . . . 1 . HE1 . . rr_2lda 1
11 1 . . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HA H . . . . . 0.0 -1.8 2.95217 . . . . . A . 2 LYS H . . A . 2 LYS HA . . . 2 . HN . . . . . 2 . HA . . rr_2lda 1
12 1 . . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HB3 H . . . . . 0.0 -1.8 2.91468 . . . . . A . 2 LYS H . . A . 2 LYS HB3 . . . 2 . HN . . . . . 2 . HB1 . . rr_2lda 1
13 1 . . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HB3 H . . . . . 0.0 -1.8 2.80865 . . . . . A . 2 LYS HA . . A . 2 LYS HB3 . . . 2 . HA . . . . . 2 . HB1 . . rr_2lda 1
14 1 . . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HB2 H . . . . . 0.0 -1.8 3.74508 . . . . . A . 2 LYS H . . A . 2 LYS HB2 . . . 2 . HN . . . . . 2 . HB2 . . rr_2lda 1
15 1 . . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HB2 H . . . . . 0.0 -1.8 3.05710 . . . . . A . 2 LYS HA . . A . 2 LYS HB2 . . . 2 . HA . . . . . 2 . HB2 . . rr_2lda 1
16 1 . . 1 1 3 3 LYS HB3 H . . . 1 1 3 3 LYS HB2 H . . . . . 0.0 -1.8 1.85000 . . . . . A . 2 LYS HB3 . . A . 2 LYS HB2 . . . 2 . HB1 . . . . . 2 . HB2 . . rr_2lda 1
17 1 . . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HG3 H . . . . . 0.0 -1.8 4.08078 . . . . . A . 2 LYS H . . A . 2 LYS HG3 . . . 2 . HN . . . . . 2 . HG1 . . rr_2lda 1
18 1 . . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HG3 H . . . . . 0.0 -1.8 3.65734 . . . . . A . 2 LYS HA . . A . 2 LYS HG3 . . . 2 . HA . . . . . 2 . HG1 . . rr_2lda 1
19 1 . . 1 1 3 3 LYS HB3 H . . . 1 1 3 3 LYS HG3 H . . . . . 0.0 -1.8 3.10403 . . . . . A . 2 LYS HB3 . . A . 2 LYS HG3 . . . 2 . HB1 . . . . . 2 . HG1 . . rr_2lda 1
20 1 . . 1 1 3 3 LYS HB2 H . . . 1 1 3 3 LYS HG3 H . . . . . 0.0 -1.8 2.70637 . . . . . A . 2 LYS HB2 . . A . 2 LYS HG3 . . . 2 . HB2 . . . . . 2 . HG1 . . rr_2lda 1
21 1 . . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HG2 H . . . . . 0.0 -1.8 3.69964 . . . . . A . 2 LYS H . . A . 2 LYS HG2 . . . 2 . HN . . . . . 2 . HG2 . . rr_2lda 1
22 1 . . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HG2 H . . . . . 0.0 -1.8 3.91966 . . . . . A . 2 LYS HA . . A . 2 LYS HG2 . . . 2 . HA . . . . . 2 . HG2 . . rr_2lda 1
23 1 . . 1 1 3 3 LYS HB3 H . . . 1 1 3 3 LYS HG2 H . . . . . 0.0 -1.8 2.59810 . . . . . A . 2 LYS HB3 . . A . 2 LYS HG2 . . . 2 . HB1 . . . . . 2 . HG2 . . rr_2lda 1
24 1 . . 1 1 3 3 LYS HB2 H . . . 1 1 3 3 LYS HG2 H . . . . . 0.0 -1.8 3.09803 . . . . . A . 2 LYS HB2 . . A . 2 LYS HG2 . . . 2 . HB2 . . . . . 2 . HG2 . . rr_2lda 1
25 1 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HD2 H . . . . . 0.0 -1.8 4.33937 . . . . . A . 2 LYS H . . A . 2 LYS HD2 . . . 2 . HN . . . . . 2 . HD# . . rr_2lda 1
25 2 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HD3 H . . . . . 0.0 -1.8 4.33937 . . . . . A . 2 LYS H . . A . 2 LYS HD3 . . . 2 . HN . . . . . 2 . HD# . . rr_2lda 1
26 1 OR . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HD2 H . . . . . 0.0 -1.8 3.94478 . . . . . A . 2 LYS HA . . A . 2 LYS HD2 . . . 2 . HA . . . . . 2 . HD# . . rr_2lda 1
26 2 OR . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HD3 H . . . . . 0.0 -1.8 3.94478 . . . . . A . 2 LYS HA . . A . 2 LYS HD3 . . . 2 . HA . . . . . 2 . HD# . . rr_2lda 1
27 1 OR . 1 1 3 3 LYS HB2 H . . . 1 1 3 3 LYS HD2 H . . . . . 0.0 -1.8 2.54589 . . . . . A . 2 LYS HB2 . . A . 2 LYS HD2 . . . 2 . HB2 . . . . . 2 . HD# . . rr_2lda 1
27 2 OR . 1 1 3 3 LYS HB2 H . . . 1 1 3 3 LYS HD3 H . . . . . 0.0 -1.8 2.54589 . . . . . A . 2 LYS HB2 . . A . 2 LYS HD3 . . . 2 . HB2 . . . . . 2 . HD# . . rr_2lda 1
28 1 OR . 1 1 3 3 LYS HG3 H . . . 1 1 3 3 LYS HD2 H . . . . . 0.0 -1.8 2.47450 . . . . . A . 2 LYS HG3 . . A . 2 LYS HD2 . . . 2 . HG1 . . . . . 2 . HD# . . rr_2lda 1
28 2 OR . 1 1 3 3 LYS HG3 H . . . 1 1 3 3 LYS HD3 H . . . . . 0.0 -1.8 2.47450 . . . . . A . 2 LYS HG3 . . A . 2 LYS HD3 . . . 2 . HG1 . . . . . 2 . HD# . . rr_2lda 1
29 1 OR . 1 1 3 3 LYS HG2 H . . . 1 1 3 3 LYS HD2 H . . . . . 0.0 -1.8 2.43481 . . . . . A . 2 LYS HG2 . . A . 2 LYS HD2 . . . 2 . HG2 . . . . . 2 . HD# . . rr_2lda 1
29 2 OR . 1 1 3 3 LYS HG2 H . . . 1 1 3 3 LYS HD3 H . . . . . 0.0 -1.8 2.43481 . . . . . A . 2 LYS HG2 . . A . 2 LYS HD3 . . . 2 . HG2 . . . . . 2 . HD# . . rr_2lda 1
30 1 . . 1 1 3 3 LYS HB2 H . . . 1 1 3 3 LYS HE3 H . . . . . 0.0 -1.8 4.77966 . . . . . A . 2 LYS HB2 . . A . 2 LYS HE3 . . . 2 . HB2 . . . . . 2 . HE1 . . rr_2lda 1
31 1 . . 1 1 3 3 LYS HG3 H . . . 1 1 3 3 LYS HE3 H . . . . . 0.0 -1.8 3.76553 . . . . . A . 2 LYS HG3 . . A . 2 LYS HE3 . . . 2 . HG1 . . . . . 2 . HE1 . . rr_2lda 1
32 1 . . 1 1 3 3 LYS HG2 H . . . 1 1 3 3 LYS HE3 H . . . . . 0.0 -1.8 4.35393 . . . . . A . 2 LYS HG2 . . A . 2 LYS HE3 . . . 2 . HG2 . . . . . 2 . HE1 . . rr_2lda 1
33 1 OR . 1 1 3 3 LYS HE3 H . . . 1 1 3 3 LYS HD2 H . . . . . 0.0 -1.8 2.44065 . . . . . A . 2 LYS HE3 . . A . 2 LYS HD2 . . . 2 . HE1 . . . . . 2 . HD# . . rr_2lda 1
33 2 OR . 1 1 3 3 LYS HD3 H . . . 1 1 3 3 LYS HE3 H . . . . . 0.0 -1.8 2.44065 . . . . . A . 2 LYS HD3 . . A . 2 LYS HE3 . . . 2 . HD# . . . . . 2 . HE1 . . rr_2lda 1
34 1 . . 1 1 3 3 LYS HB3 H . . . 1 1 3 3 LYS HE2 H . . . . . 0.0 -1.8 4.67831 . . . . . A . 2 LYS HB3 . . A . 2 LYS HE2 . . . 2 . HB1 . . . . . 2 . HE2 . . rr_2lda 1
35 1 . . 1 1 3 3 LYS HB2 H . . . 1 1 3 3 LYS HE2 H . . . . . 0.0 -1.8 4.87333 . . . . . A . 2 LYS HB2 . . A . 2 LYS HE2 . . . 2 . HB2 . . . . . 2 . HE2 . . rr_2lda 1
36 1 . . 1 1 3 3 LYS HG3 H . . . 1 1 3 3 LYS HE2 H . . . . . 0.0 -1.8 3.72647 . . . . . A . 2 LYS HG3 . . A . 2 LYS HE2 . . . 2 . HG1 . . . . . 2 . HE2 . . rr_2lda 1
37 1 . . 1 1 3 3 LYS HG2 H . . . 1 1 3 3 LYS HE2 H . . . . . 0.0 -1.8 3.87855 . . . . . A . 2 LYS HG2 . . A . 2 LYS HE2 . . . 2 . HG2 . . . . . 2 . HE2 . . rr_2lda 1
38 1 OR . 1 1 3 3 LYS HE2 H . . . 1 1 3 3 LYS HD2 H . . . . . 0.0 -1.8 2.46464 . . . . . A . 2 LYS HE2 . . A . 2 LYS HD2 . . . 2 . HE2 . . . . . 2 . HD# . . rr_2lda 1
38 2 OR . 1 1 3 3 LYS HD3 H . . . 1 1 3 3 LYS HE2 H . . . . . 0.0 -1.8 2.46464 . . . . . A . 2 LYS HD3 . . A . 2 LYS HE2 . . . 2 . HD# . . . . . 2 . HE2 . . rr_2lda 1
39 1 . . 1 1 3 3 LYS HE3 H . . . 1 1 3 3 LYS HE2 H . . . . . 0.0 -1.8 1.86412 . . . . . A . 2 LYS HE3 . . A . 2 LYS HE2 . . . 2 . HE1 . . . . . 2 . HE2 . . rr_2lda 1
40 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HA H . . . . . 0.0 -1.8 2.86657 . . . . . A . 4 LEU H . . A . 4 LEU HA . . . 4 . HN . . . . . 4 . HA . . rr_2lda 1
41 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HB3 H . . . . . 0.0 -1.8 2.92805 . . . . . A . 4 LEU H . . A . 4 LEU HB3 . . . 4 . HN . . . . . 4 . HB1 . . rr_2lda 1
42 1 . . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU HB3 H . . . . . 0.0 -1.8 3.10632 . . . . . A . 4 LEU HA . . A . 4 LEU HB3 . . . 4 . HA . . . . . 4 . HB1 . . rr_2lda 1
43 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HB2 H . . . . . 0.0 -1.8 2.72595 . . . . . A . 4 LEU H . . A . 4 LEU HB2 . . . 4 . HN . . . . . 4 . HB2 . . rr_2lda 1
44 1 . . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU HB2 H . . . . . 0.0 -1.8 2.76424 . . . . . A . 4 LEU HA . . A . 4 LEU HB2 . . . 4 . HA . . . . . 4 . HB2 . . rr_2lda 1
45 1 . . 1 1 5 5 LEU HB3 H . . . 1 1 5 5 LEU HB2 H . . . . . 0.0 -1.8 1.84607 . . . . . A . 4 LEU HB3 . . A . 4 LEU HB2 . . . 4 . HB1 . . . . . 4 . HB2 . . rr_2lda 1
46 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HG H . . . . . 0.0 -1.8 4.67415 . . . . . A . 4 LEU H . . A . 4 LEU HG . . . 4 . HN . . . . . 4 . HG . . rr_2lda 1
47 1 . . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU HG H . . . . . 0.0 -1.8 3.93605 . . . . . A . 4 LEU HA . . A . 4 LEU HG . . . 4 . HA . . . . . 4 . HG . . rr_2lda 1
48 1 . . 1 1 5 5 LEU HB2 H . . . 1 1 5 5 LEU HG H . . . . . 0.0 -1.8 2.87818 . . . . . A . 4 LEU HB2 . . A . 4 LEU HG . . . 4 . HB2 . . . . . 4 . HG . . rr_2lda 1
49 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU MD1 H . . . . . 0.0 -1.8 3.94734 . . . . . A . 4 LEU H . . A . 4 LEU MD1 . . . 4 . HN . . . . . 4 . HD1# . . rr_2lda 1
50 1 . . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU MD1 H . . . . . 0.0 -1.8 3.20293 . . . . . A . 4 LEU HA . . A . 4 LEU MD1 . . . 4 . HA . . . . . 4 . HD1# . . rr_2lda 1
51 1 . . 1 1 5 5 LEU HB3 H . . . 1 1 5 5 LEU MD1 H . . . . . 0.0 -1.8 2.63965 . . . . . A . 4 LEU HB3 . . A . 4 LEU MD1 . . . 4 . HB1 . . . . . 4 . HD1# . . rr_2lda 1
52 1 . . 1 1 5 5 LEU HB2 H . . . 1 1 5 5 LEU MD1 H . . . . . 0.0 -1.8 3.37998 . . . . . A . 4 LEU HB2 . . A . 4 LEU MD1 . . . 4 . HB2 . . . . . 4 . HD1# . . rr_2lda 1
53 1 . . 1 1 5 5 LEU HG H . . . 1 1 5 5 LEU MD1 H . . . . . 0.0 -1.8 2.21109 . . . . . A . 4 LEU HG . . A . 4 LEU MD1 . . . 4 . HG . . . . . 4 . HD1# . . rr_2lda 1
54 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU MD2 H . . . . . 0.0 -1.8 4.42308 . . . . . A . 4 LEU H . . A . 4 LEU MD2 . . . 4 . HN . . . . . 4 . HD2# . . rr_2lda 1
55 1 . . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU MD2 H . . . . . 0.0 -1.8 3.49170 . . . . . A . 4 LEU HA . . A . 4 LEU MD2 . . . 4 . HA . . . . . 4 . HD2# . . rr_2lda 1
56 1 . . 1 1 5 5 LEU HB3 H . . . 1 1 5 5 LEU MD2 H . . . . . 0.0 -1.8 3.34205 . . . . . A . 4 LEU HB3 . . A . 4 LEU MD2 . . . 4 . HB1 . . . . . 4 . HD2# . . rr_2lda 1
57 1 . . 1 1 5 5 LEU HB2 H . . . 1 1 5 5 LEU MD2 H . . . . . 0.0 -1.8 2.53459 . . . . . A . 4 LEU HB2 . . A . 4 LEU MD2 . . . 4 . HB2 . . . . . 4 . HD2# . . rr_2lda 1
58 1 . . 1 1 5 5 LEU HG H . . . 1 1 5 5 LEU MD2 H . . . . . 0.0 -1.8 2.19819 . . . . . A . 4 LEU HG . . A . 4 LEU MD2 . . . 4 . HG . . . . . 4 . HD2# . . rr_2lda 1
59 1 . . 1 1 6 6 HIS H H . . . 1 1 6 6 HIS HA H . . . . . 0.0 -1.8 2.99147 . . . . . A . 5 HIS H . . A . 5 HIS HA . . . 5 . HN . . . . . 5 . HA . . rr_2lda 1
60 1 OR . 1 1 6 6 HIS H H . . . 1 1 6 6 HIS HB2 H . . . . . 0.0 -1.8 2.47933 . . . . . A . 5 HIS H . . A . 5 HIS HB2 . . . 5 . HN . . . . . 5 . HB# . . rr_2lda 1
60 2 OR . 1 1 6 6 HIS H H . . . 1 1 6 6 HIS HB3 H . . . . . 0.0 -1.8 2.47933 . . . . . A . 5 HIS H . . A . 5 HIS HB3 . . . 5 . HN . . . . . 5 . HB# . . rr_2lda 1
61 1 OR . 1 1 6 6 HIS HA H . . . 1 1 6 6 HIS HB2 H . . . . . 0.0 -1.8 2.59412 . . . . . A . 5 HIS HA . . A . 5 HIS HB2 . . . 5 . HA . . . . . 5 . HB# . . rr_2lda 1
61 2 OR . 1 1 6 6 HIS HA H . . . 1 1 6 6 HIS HB3 H . . . . . 0.0 -1.8 2.59412 . . . . . A . 5 HIS HA . . A . 5 HIS HB3 . . . 5 . HA . . . . . 5 . HB# . . rr_2lda 1
62 1 . . 1 1 6 6 HIS H H . . . 1 1 6 6 HIS HD2 H . . . . . 0.0 -1.8 4.85198 . . . . . A . 5 HIS H . . A . 5 HIS HD2 . . . 5 . HN . . . . . 5 . HD2 . . rr_2lda 1
63 1 . . 1 1 6 6 HIS HA H . . . 1 1 6 6 HIS HD2 H . . . . . 0.0 -1.8 4.30782 . . . . . A . 5 HIS HA . . A . 5 HIS HD2 . . . 5 . HA . . . . . 5 . HD2 . . rr_2lda 1
64 1 OR . 1 1 6 6 HIS HD2 H . . . 1 1 6 6 HIS HB2 H . . . . . 0.0 -1.8 3.32936 . . . . . A . 5 HIS HD2 . . A . 5 HIS HB2 . . . 5 . HD2 . . . . . 5 . HB# . . rr_2lda 1
64 2 OR . 1 1 6 6 HIS HB3 H . . . 1 1 6 6 HIS HD2 H . . . . . 0.0 -1.8 3.32936 . . . . . A . 5 HIS HB3 . . A . 5 HIS HD2 . . . 5 . HB# . . . . . 5 . HD2 . . rr_2lda 1
65 1 OR . 1 1 6 6 HIS HE1 H . . . 1 1 6 6 HIS HB2 H . . . . . 0.0 -1.8 4.65181 . . . . . A . 5 HIS HE1 . . A . 5 HIS HB2 . . . 5 . HE1 . . . . . 5 . HB# . . rr_2lda 1
65 2 OR . 1 1 6 6 HIS HB3 H . . . 1 1 6 6 HIS HE1 H . . . . . 0.0 -1.8 4.65181 . . . . . A . 5 HIS HB3 . . A . 5 HIS HE1 . . . 5 . HB# . . . . . 5 . HE1 . . rr_2lda 1
66 1 . . 1 1 6 6 HIS HD2 H . . . 1 1 6 6 HIS HE1 H . . . . . 0.0 -1.8 4.34096 . . . . . A . 5 HIS HD2 . . A . 5 HIS HE1 . . . 5 . HD2 . . . . . 5 . HE1 . . rr_2lda 1
67 1 . . 1 1 7 7 GLN H H . . . 1 1 7 7 GLN HA H . . . . . 0.0 -1.8 2.95022 . . . . . A . 6 GLN H . . A . 6 GLN HA . . . 6 . HN . . . . . 6 . HA . . rr_2lda 1
68 1 . . 1 1 7 7 GLN H H . . . 1 1 7 7 GLN HB3 H . . . . . 0.0 -1.8 2.84213 . . . . . A . 6 GLN H . . A . 6 GLN HB3 . . . 6 . HN . . . . . 6 . HB1 . . rr_2lda 1
69 1 . . 1 1 7 7 GLN HA H . . . 1 1 7 7 GLN HB3 H . . . . . 0.0 -1.8 2.93105 . . . . . A . 6 GLN HA . . A . 6 GLN HB3 . . . 6 . HA . . . . . 6 . HB1 . . rr_2lda 1
70 1 . . 1 1 7 7 GLN H H . . . 1 1 7 7 GLN HB2 H . . . . . 0.0 -1.8 2.92644 . . . . . A . 6 GLN H . . A . 6 GLN HB2 . . . 6 . HN . . . . . 6 . HB2 . . rr_2lda 1
71 1 . . 1 1 7 7 GLN HA H . . . 1 1 7 7 GLN HB2 H . . . . . 0.0 -1.8 3.06323 . . . . . A . 6 GLN HA . . A . 6 GLN HB2 . . . 6 . HA . . . . . 6 . HB2 . . rr_2lda 1
72 1 . . 1 1 7 7 GLN HB3 H . . . 1 1 7 7 GLN HB2 H . . . . . 0.0 -1.8 1.85099 . . . . . A . 6 GLN HB3 . . A . 6 GLN HB2 . . . 6 . HB1 . . . . . 6 . HB2 . . rr_2lda 1
73 1 . . 1 1 7 7 GLN H H . . . 1 1 7 7 GLN HG3 H . . . . . 0.0 -1.8 4.07641 . . . . . A . 6 GLN H . . A . 6 GLN HG3 . . . 6 . HN . . . . . 6 . HG1 . . rr_2lda 1
74 1 . . 1 1 7 7 GLN HA H . . . 1 1 7 7 GLN HG3 H . . . . . 0.0 -1.8 3.78414 . . . . . A . 6 GLN HA . . A . 6 GLN HG3 . . . 6 . HA . . . . . 6 . HG1 . . rr_2lda 1
75 1 . . 1 1 7 7 GLN HB3 H . . . 1 1 7 7 GLN HG3 H . . . . . 0.0 -1.8 2.66113 . . . . . A . 6 GLN HB3 . . A . 6 GLN HG3 . . . 6 . HB1 . . . . . 6 . HG1 . . rr_2lda 1
76 1 . . 1 1 7 7 GLN H H . . . 1 1 7 7 GLN HG2 H . . . . . 0.0 -1.8 3.51075 . . . . . A . 6 GLN H . . A . 6 GLN HG2 . . . 6 . HN . . . . . 6 . HG2 . . rr_2lda 1
77 1 . . 1 1 7 7 GLN HA H . . . 1 1 7 7 GLN HG2 H . . . . . 0.0 -1.8 2.82842 . . . . . A . 6 GLN HA . . A . 6 GLN HG2 . . . 6 . HA . . . . . 6 . HG2 . . rr_2lda 1
78 1 . . 1 1 7 7 GLN HB3 H . . . 1 1 7 7 GLN HG2 H . . . . . 0.0 -1.8 3.09256 . . . . . A . 6 GLN HB3 . . A . 6 GLN HG2 . . . 6 . HB1 . . . . . 6 . HG2 . . rr_2lda 1
79 1 . . 1 1 7 7 GLN HB2 H . . . 1 1 7 7 GLN HG2 H . . . . . 0.0 -1.8 3.10499 . . . . . A . 6 GLN HB2 . . A . 6 GLN HG2 . . . 6 . HB2 . . . . . 6 . HG2 . . rr_2lda 1
80 1 . . 1 1 7 7 GLN HB3 H . . . 1 1 7 7 GLN HE21 H . . . . . 0.0 -1.8 4.49448 . . . . . A . 6 GLN HB3 . . A . 6 GLN HE21 . . . 6 . HB1 . . . . . 6 . HE21 . . rr_2lda 1
81 1 . . 1 1 7 7 GLN HB2 H . . . 1 1 7 7 GLN HE21 H . . . . . 0.0 -1.8 4.49671 . . . . . A . 6 GLN HB2 . . A . 6 GLN HE21 . . . 6 . HB2 . . . . . 6 . HE21 . . rr_2lda 1
82 1 . . 1 1 7 7 GLN HG3 H . . . 1 1 7 7 GLN HE21 H . . . . . 0.0 -1.8 3.65198 . . . . . A . 6 GLN HG3 . . A . 6 GLN HE21 . . . 6 . HG1 . . . . . 6 . HE21 . . rr_2lda 1
83 1 . . 1 1 7 7 GLN HG2 H . . . 1 1 7 7 GLN HE21 H . . . . . 0.0 -1.8 3.35616 . . . . . A . 6 GLN HG2 . . A . 6 GLN HE21 . . . 6 . HG2 . . . . . 6 . HE21 . . rr_2lda 1
84 1 . . 1 1 7 7 GLN HB3 H . . . 1 1 7 7 GLN HE22 H . . . . . 0.0 -1.8 4.37966 . . . . . A . 6 GLN HB3 . . A . 6 GLN HE22 . . . 6 . HB1 . . . . . 6 . HE22 . . rr_2lda 1
85 1 . . 1 1 7 7 GLN HB2 H . . . 1 1 7 7 GLN HE22 H . . . . . 0.0 -1.8 4.73223 . . . . . A . 6 GLN HB2 . . A . 6 GLN HE22 . . . 6 . HB2 . . . . . 6 . HE22 . . rr_2lda 1
86 1 . . 1 1 7 7 GLN HG3 H . . . 1 1 7 7 GLN HE22 H . . . . . 0.0 -1.8 4.02604 . . . . . A . 6 GLN HG3 . . A . 6 GLN HE22 . . . 6 . HG1 . . . . . 6 . HE22 . . rr_2lda 1
87 1 . . 1 1 7 7 GLN HG2 H . . . 1 1 7 7 GLN HE22 H . . . . . 0.0 -1.8 3.54719 . . . . . A . 6 GLN HG2 . . A . 6 GLN HE22 . . . 6 . HG2 . . . . . 6 . HE22 . . rr_2lda 1
88 1 . . 1 1 7 7 GLN HE21 H . . . 1 1 7 7 GLN HE22 H . . . . . 0.0 -1.8 1.82672 . . . . . A . 6 GLN HE21 . . A . 6 GLN HE22 . . . 6 . HE21 . . . . . 6 . HE22 . . rr_2lda 1
89 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU HA H . . . . . 0.0 -1.8 2.92449 . . . . . A . 8 LEU H . . A . 8 LEU HA . . . 8 . HN . . . . . 8 . HA . . rr_2lda 1
90 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU HB3 H . . . . . 0.0 -1.8 3.14718 . . . . . A . 8 LEU H . . A . 8 LEU HB3 . . . 8 . HN . . . . . 8 . HB1 . . rr_2lda 1
91 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU HB3 H . . . . . 0.0 -1.8 3.11144 . . . . . A . 8 LEU HA . . A . 8 LEU HB3 . . . 8 . HA . . . . . 8 . HB1 . . rr_2lda 1
92 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU HB2 H . . . . . 0.0 -1.8 2.64667 . . . . . A . 8 LEU H . . A . 8 LEU HB2 . . . 8 . HN . . . . . 8 . HB2 . . rr_2lda 1
93 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU HB2 H . . . . . 0.0 -1.8 2.95018 . . . . . A . 8 LEU HA . . A . 8 LEU HB2 . . . 8 . HA . . . . . 8 . HB2 . . rr_2lda 1
94 1 . . 1 1 9 9 LEU HB3 H . . . 1 1 9 9 LEU HB2 H . . . . . 0.0 -1.8 1.84894 . . . . . A . 8 LEU HB3 . . A . 8 LEU HB2 . . . 8 . HB1 . . . . . 8 . HB2 . . rr_2lda 1
95 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU HG H . . . . . 0.0 -1.8 4.63956 . . . . . A . 8 LEU H . . A . 8 LEU HG . . . 8 . HN . . . . . 8 . HG . . rr_2lda 1
96 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU HG H . . . . . 0.0 -1.8 3.86197 . . . . . A . 8 LEU HA . . A . 8 LEU HG . . . 8 . HA . . . . . 8 . HG . . rr_2lda 1
97 1 . . 1 1 9 9 LEU HB3 H . . . 1 1 9 9 LEU HG H . . . . . 0.0 -1.8 2.70715 . . . . . A . 8 LEU HB3 . . A . 8 LEU HG . . . 8 . HB1 . . . . . 8 . HG . . rr_2lda 1
98 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU MD1 H . . . . . 0.0 -1.8 4.54092 . . . . . A . 8 LEU H . . A . 8 LEU MD1 . . . 8 . HN . . . . . 8 . HD1# . . rr_2lda 1
99 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU MD1 H . . . . . 0.0 -1.8 3.01180 . . . . . A . 8 LEU HA . . A . 8 LEU MD1 . . . 8 . HA . . . . . 8 . HD1# . . rr_2lda 1
100 1 . . 1 1 9 9 LEU HB3 H . . . 1 1 9 9 LEU MD1 H . . . . . 0.0 -1.8 2.66293 . . . . . A . 8 LEU HB3 . . A . 8 LEU MD1 . . . 8 . HB1 . . . . . 8 . HD1# . . rr_2lda 1
101 1 . . 1 1 9 9 LEU HB2 H . . . 1 1 9 9 LEU MD1 H . . . . . 0.0 -1.8 3.38449 . . . . . A . 8 LEU HB2 . . A . 8 LEU MD1 . . . 8 . HB2 . . . . . 8 . HD1# . . rr_2lda 1
102 1 . . 1 1 9 9 LEU HG H . . . 1 1 9 9 LEU MD1 H . . . . . 0.0 -1.8 2.21179 . . . . . A . 8 LEU HG . . A . 8 LEU MD1 . . . 8 . HG . . . . . 8 . HD1# . . rr_2lda 1
103 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU MD2 H . . . . . 0.0 -1.8 3.90655 . . . . . A . 8 LEU H . . A . 8 LEU MD2 . . . 8 . HN . . . . . 8 . HD2# . . rr_2lda 1
104 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU MD2 H . . . . . 0.0 -1.8 3.67187 . . . . . A . 8 LEU HA . . A . 8 LEU MD2 . . . 8 . HA . . . . . 8 . HD2# . . rr_2lda 1
105 1 . . 1 1 9 9 LEU HB3 H . . . 1 1 9 9 LEU MD2 H . . . . . 0.0 -1.8 3.33469 . . . . . A . 8 LEU HB3 . . A . 8 LEU MD2 . . . 8 . HB1 . . . . . 8 . HD2# . . rr_2lda 1
106 1 . . 1 1 9 9 LEU HB2 H . . . 1 1 9 9 LEU MD2 H . . . . . 0.0 -1.8 2.50579 . . . . . A . 8 LEU HB2 . . A . 8 LEU MD2 . . . 8 . HB2 . . . . . 8 . HD2# . . rr_2lda 1
107 1 . . 1 1 9 9 LEU HG H . . . 1 1 9 9 LEU MD2 H . . . . . 0.0 -1.8 2.20594 . . . . . A . 8 LEU HG . . A . 8 LEU MD2 . . . 8 . HG . . . . . 8 . HD2# . . rr_2lda 1
108 1 . . 1 1 9 9 LEU MD1 H . . . 1 1 9 9 LEU MD2 H . . . . . 0.0 -1.8 2.16194 . . . . . A . 8 LEU MD1 . . A . 8 LEU MD2 . . . 8 . HD1# . . . . . 8 . HD2# . . rr_2lda 1
109 1 . . 1 1 10 10 GLN H H . . . 1 1 10 10 GLN HA H . . . . . 0.0 -1.8 2.98296 . . . . . A . 9 GLN H . . A . 9 GLN HA . . . 9 . HN . . . . . 9 . HA . . rr_2lda 1
110 1 . . 1 1 10 10 GLN H H . . . 1 1 10 10 GLN HB3 H . . . . . 0.0 -1.8 3.73794 . . . . . A . 9 GLN H . . A . 9 GLN HB3 . . . 9 . HN . . . . . 9 . HB1 . . rr_2lda 1
111 1 . . 1 1 10 10 GLN HA H . . . 1 1 10 10 GLN HB3 H . . . . . 0.0 -1.8 2.86832 . . . . . A . 9 GLN HA . . A . 9 GLN HB3 . . . 9 . HA . . . . . 9 . HB1 . . rr_2lda 1
112 1 . . 1 1 10 10 GLN H H . . . 1 1 10 10 GLN HB2 H . . . . . 0.0 -1.8 2.92377 . . . . . A . 9 GLN H . . A . 9 GLN HB2 . . . 9 . HN . . . . . 9 . HB2 . . rr_2lda 1
113 1 . . 1 1 10 10 GLN HA H . . . 1 1 10 10 GLN HB2 H . . . . . 0.0 -1.8 3.05501 . . . . . A . 9 GLN HA . . A . 9 GLN HB2 . . . 9 . HA . . . . . 9 . HB2 . . rr_2lda 1
114 1 . . 1 1 10 10 GLN HB3 H . . . 1 1 10 10 GLN HB2 H . . . . . 0.0 -1.8 1.85614 . . . . . A . 9 GLN HB3 . . A . 9 GLN HB2 . . . 9 . HB1 . . . . . 9 . HB2 . . rr_2lda 1
115 1 OR . 1 1 10 10 GLN H H . . . 1 1 10 10 GLN HG2 H . . . . . 0.0 -1.8 3.18160 . . . . . A . 9 GLN H . . A . 9 GLN HG2 . . . 9 . HN . . . . . 9 . HG# . . rr_2lda 1
115 2 OR . 1 1 10 10 GLN H H . . . 1 1 10 10 GLN HG3 H . . . . . 0.0 -1.8 3.18160 . . . . . A . 9 GLN H . . A . 9 GLN HG3 . . . 9 . HN . . . . . 9 . HG# . . rr_2lda 1
116 1 OR . 1 1 10 10 GLN HA H . . . 1 1 10 10 GLN HG2 H . . . . . 0.0 -1.8 3.00041 . . . . . A . 9 GLN HA . . A . 9 GLN HG2 . . . 9 . HA . . . . . 9 . HG# . . rr_2lda 1
116 2 OR . 1 1 10 10 GLN HA H . . . 1 1 10 10 GLN HG3 H . . . . . 0.0 -1.8 3.00041 . . . . . A . 9 GLN HA . . A . 9 GLN HG3 . . . 9 . HA . . . . . 9 . HG# . . rr_2lda 1
117 1 OR . 1 1 10 10 GLN HB3 H . . . 1 1 10 10 GLN HG2 H . . . . . 0.0 -1.8 2.45536 . . . . . A . 9 GLN HB3 . . A . 9 GLN HG2 . . . 9 . HB1 . . . . . 9 . HG# . . rr_2lda 1
117 2 OR . 1 1 10 10 GLN HB3 H . . . 1 1 10 10 GLN HG3 H . . . . . 0.0 -1.8 2.45536 . . . . . A . 9 GLN HB3 . . A . 9 GLN HG3 . . . 9 . HB1 . . . . . 9 . HG# . . rr_2lda 1
118 1 OR . 1 1 10 10 GLN HB2 H . . . 1 1 10 10 GLN HG2 H . . . . . 0.0 -1.8 2.42811 . . . . . A . 9 GLN HB2 . . A . 9 GLN HG2 . . . 9 . HB2 . . . . . 9 . HG# . . rr_2lda 1
118 2 OR . 1 1 10 10 GLN HB2 H . . . 1 1 10 10 GLN HG3 H . . . . . 0.0 -1.8 2.42811 . . . . . A . 9 GLN HB2 . . A . 9 GLN HG3 . . . 9 . HB2 . . . . . 9 . HG# . . rr_2lda 1
119 1 . . 1 1 10 10 GLN HB3 H . . . 1 1 10 10 GLN HE21 H . . . . . 0.0 -1.8 4.51775 . . . . . A . 9 GLN HB3 . . A . 9 GLN HE21 . . . 9 . HB1 . . . . . 9 . HE21 . . rr_2lda 1
120 1 . . 1 1 10 10 GLN HB2 H . . . 1 1 10 10 GLN HE21 H . . . . . 0.0 -1.8 4.76675 . . . . . A . 9 GLN HB2 . . A . 9 GLN HE21 . . . 9 . HB2 . . . . . 9 . HE21 . . rr_2lda 1
121 1 OR . 1 1 10 10 GLN HE21 H . . . 1 1 10 10 GLN HG2 H . . . . . 0.0 -1.8 2.80824 . . . . . A . 9 GLN HE21 . . A . 9 GLN HG2 . . . 9 . HE21 . . . . . 9 . HG# . . rr_2lda 1
121 2 OR . 1 1 10 10 GLN HG3 H . . . 1 1 10 10 GLN HE21 H . . . . . 0.0 -1.8 2.80824 . . . . . A . 9 GLN HG3 . . A . 9 GLN HE21 . . . 9 . HG# . . . . . 9 . HE21 . . rr_2lda 1
122 1 OR . 1 1 10 10 GLN HE22 H . . . 1 1 10 10 GLN HG2 H . . . . . 0.0 -1.8 3.61270 . . . . . A . 9 GLN HE22 . . A . 9 GLN HG2 . . . 9 . HE22 . . . . . 9 . HG# . . rr_2lda 1
122 2 OR . 1 1 10 10 GLN HG3 H . . . 1 1 10 10 GLN HE22 H . . . . . 0.0 -1.8 3.61270 . . . . . A . 9 GLN HG3 . . A . 9 GLN HE22 . . . 9 . HG# . . . . . 9 . HE22 . . rr_2lda 1
123 1 . . 1 1 10 10 GLN HE21 H . . . 1 1 10 10 GLN HE22 H . . . . . 0.0 -1.8 1.82871 . . . . . A . 9 GLN HE21 . . A . 9 GLN HE22 . . . 9 . HE21 . . . . . 9 . HE22 . . rr_2lda 1
124 1 . . 1 1 11 11 ASP H H . . . 1 1 11 11 ASP HA H . . . . . 0.0 -1.8 2.94875 . . . . . A . 10 ASP H . . A . 10 ASP HA . . . 10 . HN . . . . . 10 . HA . . rr_2lda 1
125 1 . . 1 1 11 11 ASP H H . . . 1 1 11 11 ASP HB3 H . . . . . 0.0 -1.8 2.89686 . . . . . A . 10 ASP H . . A . 10 ASP HB3 . . . 10 . HN . . . . . 10 . HB1 . . rr_2lda 1
126 1 . . 1 1 11 11 ASP HA H . . . 1 1 11 11 ASP HB3 H . . . . . 0.0 -1.8 3.13551 . . . . . A . 10 ASP HA . . A . 10 ASP HB3 . . . 10 . HA . . . . . 10 . HB1 . . rr_2lda 1
127 1 . . 1 1 11 11 ASP H H . . . 1 1 11 11 ASP HB2 H . . . . . 0.0 -1.8 3.24211 . . . . . A . 10 ASP H . . A . 10 ASP HB2 . . . 10 . HN . . . . . 10 . HB2 . . rr_2lda 1
128 1 . . 1 1 11 11 ASP HA H . . . 1 1 11 11 ASP HB2 H . . . . . 0.0 -1.8 3.08912 . . . . . A . 10 ASP HA . . A . 10 ASP HB2 . . . 10 . HA . . . . . 10 . HB2 . . rr_2lda 1
129 1 . . 1 1 11 11 ASP HB3 H . . . 1 1 11 11 ASP HB2 H . . . . . 0.0 -1.8 1.85753 . . . . . A . 10 ASP HB3 . . A . 10 ASP HB2 . . . 10 . HB1 . . . . . 10 . HB2 . . rr_2lda 1
130 1 . . 1 1 12 12 SER H H . . . 1 1 12 12 SER HA H . . . . . 0.0 -1.8 3.01581 . . . . . A . 11 SER H . . A . 11 SER HA . . . 11 . HN . . . . . 11 . HA . . rr_2lda 1
131 1 . . 1 1 12 12 SER H H . . . 1 1 12 12 SER HB3 H . . . . . 0.0 -1.8 3.10996 . . . . . A . 11 SER H . . A . 11 SER HB3 . . . 11 . HN . . . . . 11 . HB1 . . rr_2lda 1
132 1 . . 1 1 12 12 SER HA H . . . 1 1 12 12 SER HB3 H . . . . . 0.0 -1.8 2.91001 . . . . . A . 11 SER HA . . A . 11 SER HB3 . . . 11 . HA . . . . . 11 . HB1 . . rr_2lda 1
133 1 . . 1 1 12 12 SER H H . . . 1 1 12 12 SER HB2 H . . . . . 0.0 -1.8 3.71317 . . . . . A . 11 SER H . . A . 11 SER HB2 . . . 11 . HN . . . . . 11 . HB2 . . rr_2lda 1
134 1 . . 1 1 12 12 SER HA H . . . 1 1 12 12 SER HB2 H . . . . . 0.0 -1.8 3.13018 . . . . . A . 11 SER HA . . A . 11 SER HB2 . . . 11 . HA . . . . . 11 . HB2 . . rr_2lda 1
135 1 . . 1 1 12 12 SER HB3 H . . . 1 1 12 12 SER HB2 H . . . . . 0.0 -1.8 1.86171 . . . . . A . 11 SER HB3 . . A . 11 SER HB2 . . . 11 . HB1 . . . . . 11 . HB2 . . rr_2lda 1
136 1 . . 1 1 13 13 NH2 HN1 H . . . 1 1 13 13 NH2 HN2 H . . . . . 0.0 -1.8 1.82648 . . . . . A . 12 NH2 HN1 . . A . 12 NH2 HN2 . . . 12 . HN1 . . . . . 12 . HN2 . . rr_2lda 1
137 1 . . 1 1 2 2 HIS H H . . . 1 1 1 1 ACE H* H . . . . . 0.0 -1.8 2.35920 . . . . . A . 1 HIS H . . A . . ACE H* . . . 1 . HN . . . . . 0 . HB# . . rr_2lda 1
138 1 . . 1 1 2 2 HIS HA H . . . 1 1 1 1 ACE H* H . . . . . 0.0 -1.8 3.91432 . . . . . A . 1 HIS HA . . A . . ACE H* . . . 1 . HA . . . . . 0 . HB# . . rr_2lda 1
139 1 . . 1 1 2 2 HIS HB3 H . . . 1 1 1 1 ACE H* H . . . . . 0.0 -1.8 4.57768 . . . . . A . 1 HIS HB3 . . A . . ACE H* . . . 1 . HB1 . . . . . 0 . HB# . . rr_2lda 1
140 1 . . 1 1 2 2 HIS HB2 H . . . 1 1 1 1 ACE H* H . . . . . 0.0 -1.8 4.25246 . . . . . A . 1 HIS HB2 . . A . . ACE H* . . . 1 . HB2 . . . . . 0 . HB# . . rr_2lda 1
141 1 . . 1 1 2 2 HIS HA H . . . 1 1 3 3 LYS H H . . . . . 0.0 -1.8 3.60838 . . . . . A . 1 HIS HA . . A . 2 LYS H . . . 1 . HA . . . . . 2 . HN . . rr_2lda 1
142 1 . . 1 1 2 2 HIS HB3 H . . . 1 1 3 3 LYS H H . . . . . 0.0 -1.8 3.88351 . . . . . A . 1 HIS HB3 . . A . 2 LYS H . . . 1 . HB1 . . . . . 2 . HN . . rr_2lda 1
143 1 . . 1 1 2 2 HIS HB2 H . . . 1 1 3 3 LYS H H . . . . . 0.0 -1.8 4.09321 . . . . . A . 1 HIS HB2 . . A . 2 LYS H . . . 1 . HB2 . . . . . 2 . HN . . rr_2lda 1
144 1 . . 1 1 2 2 HIS HA H . . . 1 1 3 3 LYS HA H . . . . . 0.0 -1.8 4.95886 . . . . . A . 1 HIS HA . . A . 2 LYS HA . . . 1 . HA . . . . . 2 . HA . . rr_2lda 1
145 1 . . 1 1 2 2 HIS HB3 H . . . 1 1 3 3 LYS HA H . . . . . 0.0 -1.8 4.58699 . . . . . A . 1 HIS HB3 . . A . 2 LYS HA . . . 1 . HB1 . . . . . 2 . HA . . rr_2lda 1
146 1 . . 1 1 2 2 HIS HB3 H . . . 1 1 3 3 LYS HG2 H . . . . . 0.0 -1.8 4.88735 . . . . . A . 1 HIS HB3 . . A . 2 LYS HG2 . . . 1 . HB1 . . . . . 2 . HG2 . . rr_2lda 1
147 1 . . 1 1 3 3 LYS H H . . . 1 1 4 4 Mk8 HN H . . . . . 0.0 -1.8 3.30808 . . . . . A . 2 LYS H . . A . 3 MK8 HN . . . 2 . HN . . . . . 3 . HN . . rr_2lda 1
148 1 . . 1 1 3 3 LYS HA H . . . 1 1 4 4 Mk8 HN H . . . . . 0.0 -1.8 3.70423 . . . . . A . 2 LYS HA . . A . 3 MK8 HN . . . 2 . HA . . . . . 3 . HN . . rr_2lda 1
149 1 . . 1 1 3 3 LYS HB3 H . . . 1 1 4 4 Mk8 HN H . . . . . 0.0 -1.8 4.36195 . . . . . A . 2 LYS HB3 . . A . 3 MK8 HN . . . 2 . HB1 . . . . . 3 . HN . . rr_2lda 1
150 1 . . 1 1 3 3 LYS HB2 H . . . 1 1 4 4 Mk8 HN H . . . . . 0.0 -1.8 3.48056 . . . . . A . 2 LYS HB2 . . A . 3 MK8 HN . . . 2 . HB2 . . . . . 3 . HN . . rr_2lda 1
151 1 . . 1 1 3 3 LYS HG3 H . . . 1 1 4 4 Mk8 HN H . . . . . 0.0 -1.8 4.78311 . . . . . A . 2 LYS HG3 . . A . 3 MK8 HN . . . 2 . HG1 . . . . . 3 . HN . . rr_2lda 1
152 1 OR . 1 1 4 4 Mk8 HN H . . . 1 1 3 3 LYS HD2 H . . . . . 0.0 -1.8 4.94282 . . . . . A . 3 MK8 HN . . A . 2 LYS HD2 . . . 3 . HN . . . . . 2 . HD# . . rr_2lda 1
152 2 OR . 1 1 3 3 LYS HD3 H . . . 1 1 4 4 Mk8 HN H . . . . . 0.0 -1.8 4.94282 . . . . . A . 2 LYS HD3 . . A . 3 MK8 HN . . . 2 . HD# . . . . . 3 . HN . . rr_2lda 1
153 1 . . 1 1 4 4 Mk8 HN H . . . 1 1 5 5 LEU H H . . . . . 0.0 -1.8 3.29044 . . . . . A . 3 MK8 HN . . A . 4 LEU H . . . 3 . HN . . . . . 4 . HN . . rr_2lda 1
154 1 . . 1 1 5 5 LEU HA H . . . 1 1 6 6 HIS H H . . . . . 0.0 -1.8 3.63823 . . . . . A . 4 LEU HA . . A . 5 HIS H . . . 4 . HA . . . . . 5 . HN . . rr_2lda 1
155 1 . . 1 1 5 5 LEU HB3 H . . . 1 1 6 6 HIS H H . . . . . 0.0 -1.8 3.34134 . . . . . A . 4 LEU HB3 . . A . 5 HIS H . . . 4 . HB1 . . . . . 5 . HN . . rr_2lda 1
156 1 . . 1 1 5 5 LEU HB2 H . . . 1 1 6 6 HIS H H . . . . . 0.0 -1.8 4.34301 . . . . . A . 4 LEU HB2 . . A . 5 HIS H . . . 4 . HB2 . . . . . 5 . HN . . rr_2lda 1
157 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 6 6 HIS H H . . . . . 0.0 -1.8 4.01512 . . . . . A . 4 LEU MD1 . . A . 5 HIS H . . . 4 . HD1# . . . . . 5 . HN . . rr_2lda 1
158 1 . . 1 1 5 5 LEU MD2 H . . . 1 1 6 6 HIS H H . . . . . 0.0 -1.8 4.97233 . . . . . A . 4 LEU MD2 . . A . 5 HIS H . . . 4 . HD2# . . . . . 5 . HN . . rr_2lda 1
159 1 . . 1 1 5 5 LEU HA H . . . 1 1 6 6 HIS HA H . . . . . 0.0 -1.8 4.96674 . . . . . A . 4 LEU HA . . A . 5 HIS HA . . . 4 . HA . . . . . 5 . HA . . rr_2lda 1
160 1 . . 1 1 5 5 LEU HB3 H . . . 1 1 6 6 HIS HA H . . . . . 0.0 -1.8 4.23601 . . . . . A . 4 LEU HB3 . . A . 5 HIS HA . . . 4 . HB1 . . . . . 5 . HA . . rr_2lda 1
161 1 . . 1 1 5 5 LEU MD2 H . . . 1 1 6 6 HIS HA H . . . . . 0.0 -1.8 4.95975 . . . . . A . 4 LEU MD2 . . A . 5 HIS HA . . . 4 . HD2# . . . . . 5 . HA . . rr_2lda 1
162 1 OR . 1 1 5 5 LEU H H . . . 1 1 6 6 HIS HB2 H . . . . . 0.0 -1.8 4.65369 . . . . . A . 4 LEU H . . A . 5 HIS HB2 . . . 4 . HN . . . . . 5 . HB# . . rr_2lda 1
162 2 OR . 1 1 5 5 LEU H H . . . 1 1 6 6 HIS HB3 H . . . . . 0.0 -1.8 4.65369 . . . . . A . 4 LEU H . . A . 5 HIS HB3 . . . 4 . HN . . . . . 5 . HB# . . rr_2lda 1
163 1 OR . 1 1 5 5 LEU HB3 H . . . 1 1 6 6 HIS HB2 H . . . . . 0.0 -1.8 4.46595 . . . . . A . 4 LEU HB3 . . A . 5 HIS HB2 . . . 4 . HB1 . . . . . 5 . HB# . . rr_2lda 1
163 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 6 6 HIS HB3 H . . . . . 0.0 -1.8 4.46595 . . . . . A . 4 LEU HB3 . . A . 5 HIS HB3 . . . 4 . HB1 . . . . . 5 . HB# . . rr_2lda 1
164 1 . . 1 1 6 6 HIS H H . . . 1 1 7 7 GLN H H . . . . . 0.0 -1.8 2.91305 . . . . . A . 5 HIS H . . A . 6 GLN H . . . 5 . HN . . . . . 6 . HN . . rr_2lda 1
165 1 . . 1 1 6 6 HIS HA H . . . 1 1 7 7 GLN H H . . . . . 0.0 -1.8 3.65816 . . . . . A . 5 HIS HA . . A . 6 GLN H . . . 5 . HA . . . . . 6 . HN . . rr_2lda 1
166 1 OR . 1 1 7 7 GLN H H . . . 1 1 6 6 HIS HB2 H . . . . . 0.0 -1.8 3.11285 . . . . . A . 6 GLN H . . A . 5 HIS HB2 . . . 6 . HN . . . . . 5 . HB# . . rr_2lda 1
166 2 OR . 1 1 6 6 HIS HB3 H . . . 1 1 7 7 GLN H H . . . . . 0.0 -1.8 3.11285 . . . . . A . 5 HIS HB3 . . A . 6 GLN H . . . 5 . HB# . . . . . 6 . HN . . rr_2lda 1
167 1 . . 1 1 6 6 HIS HD2 H . . . 1 1 7 7 GLN H H . . . . . 0.0 -1.8 4.97847 . . . . . A . 5 HIS HD2 . . A . 6 GLN H . . . 5 . HD2 . . . . . 6 . HN . . rr_2lda 1
168 1 . . 1 1 6 6 HIS HA H . . . 1 1 7 7 GLN HA H . . . . . 0.0 -1.8 4.98193 . . . . . A . 5 HIS HA . . A . 6 GLN HA . . . 5 . HA . . . . . 6 . HA . . rr_2lda 1
169 1 OR . 1 1 7 7 GLN HA H . . . 1 1 6 6 HIS HB2 H . . . . . 0.0 -1.8 4.11829 . . . . . A . 6 GLN HA . . A . 5 HIS HB2 . . . 6 . HA . . . . . 5 . HB# . . rr_2lda 1
169 2 OR . 1 1 6 6 HIS HB3 H . . . 1 1 7 7 GLN HA H . . . . . 0.0 -1.8 4.11829 . . . . . A . 5 HIS HB3 . . A . 6 GLN HA . . . 5 . HB# . . . . . 6 . HA . . rr_2lda 1
170 1 . . 1 1 6 6 HIS H H . . . 1 1 7 7 GLN HB2 H . . . . . 0.0 -1.8 4.68783 . . . . . A . 5 HIS H . . A . 6 GLN HB2 . . . 5 . HN . . . . . 6 . HB2 . . rr_2lda 1
171 1 OR . 1 1 7 7 GLN HB2 H . . . 1 1 6 6 HIS HB2 H . . . . . 0.0 -1.8 4.66623 . . . . . A . 6 GLN HB2 . . A . 5 HIS HB2 . . . 6 . HB2 . . . . . 5 . HB# . . rr_2lda 1
171 2 OR . 1 1 6 6 HIS HB3 H . . . 1 1 7 7 GLN HB2 H . . . . . 0.0 -1.8 4.66623 . . . . . A . 5 HIS HB3 . . A . 6 GLN HB2 . . . 5 . HB# . . . . . 6 . HB2 . . rr_2lda 1
172 1 OR . 1 1 7 7 GLN HG2 H . . . 1 1 6 6 HIS HB2 H . . . . . 0.0 -1.8 4.76470 . . . . . A . 6 GLN HG2 . . A . 5 HIS HB2 . . . 6 . HG2 . . . . . 5 . HB# . . rr_2lda 1
172 2 OR . 1 1 6 6 HIS HB3 H . . . 1 1 7 7 GLN HG2 H . . . . . 0.0 -1.8 4.76470 . . . . . A . 5 HIS HB3 . . A . 6 GLN HG2 . . . 5 . HB# . . . . . 6 . HG2 . . rr_2lda 1
173 1 . . 1 1 7 7 GLN H H . . . 1 1 8 8 Mk8 HN H . . . . . 0.0 -1.8 3.04245 . . . . . A . 6 GLN H . . A . 7 MK8 HN . . . 6 . HN . . . . . 7 . HN . . rr_2lda 1
174 1 . . 1 1 7 7 GLN HA H . . . 1 1 8 8 Mk8 HN H . . . . . 0.0 -1.8 3.70501 . . . . . A . 6 GLN HA . . A . 7 MK8 HN . . . 6 . HA . . . . . 7 . HN . . rr_2lda 1
175 1 . . 1 1 7 7 GLN HB3 H . . . 1 1 8 8 Mk8 HN H . . . . . 0.0 -1.8 3.24150 . . . . . A . 6 GLN HB3 . . A . 7 MK8 HN . . . 6 . HB1 . . . . . 7 . HN . . rr_2lda 1
176 1 . . 1 1 7 7 GLN HB2 H . . . 1 1 8 8 Mk8 HN H . . . . . 0.0 -1.8 3.15098 . . . . . A . 6 GLN HB2 . . A . 7 MK8 HN . . . 6 . HB2 . . . . . 7 . HN . . rr_2lda 1
177 1 . . 1 1 7 7 GLN HG2 H . . . 1 1 8 8 Mk8 HN H . . . . . 0.0 -1.8 4.58168 . . . . . A . 6 GLN HG2 . . A . 7 MK8 HN . . . 6 . HG2 . . . . . 7 . HN . . rr_2lda 1
178 1 . . 1 1 8 8 Mk8 HN H . . . 1 1 9 9 LEU H H . . . . . 0.0 -1.8 3.16692 . . . . . A . 7 MK8 HN . . A . 8 LEU H . . . 7 . HN . . . . . 8 . HN . . rr_2lda 1
179 1 . . 1 1 8 8 Mk8 HN H . . . 1 1 9 9 LEU HB2 H . . . . . 0.0 -1.8 4.58018 . . . . . A . 7 MK8 HN . . A . 8 LEU HB2 . . . 7 . HN . . . . . 8 . HB2 . . rr_2lda 1
180 1 . . 1 1 9 9 LEU HA H . . . 1 1 10 10 GLN H H . . . . . 0.0 -1.8 3.63564 . . . . . A . 8 LEU HA . . A . 9 GLN H . . . 8 . HA . . . . . 9 . HN . . rr_2lda 1
181 1 . . 1 1 9 9 LEU HB3 H . . . 1 1 10 10 GLN H H . . . . . 0.0 -1.8 3.19330 . . . . . A . 8 LEU HB3 . . A . 9 GLN H . . . 8 . HB1 . . . . . 9 . HN . . rr_2lda 1
182 1 . . 1 1 9 9 LEU HB2 H . . . 1 1 10 10 GLN H H . . . . . 0.0 -1.8 4.26925 . . . . . A . 8 LEU HB2 . . A . 9 GLN H . . . 8 . HB2 . . . . . 9 . HN . . rr_2lda 1
183 1 . . 1 1 9 9 LEU HG H . . . 1 1 10 10 GLN H H . . . . . 0.0 -1.8 4.35486 . . . . . A . 8 LEU HG . . A . 9 GLN H . . . 8 . HG . . . . . 9 . HN . . rr_2lda 1
184 1 . . 1 1 9 9 LEU MD1 H . . . 1 1 10 10 GLN H H . . . . . 0.0 -1.8 4.13274 . . . . . A . 8 LEU MD1 . . A . 9 GLN H . . . 8 . HD1# . . . . . 9 . HN . . rr_2lda 1
185 1 . . 1 1 9 9 LEU MD2 H . . . 1 1 10 10 GLN H H . . . . . 0.0 -1.8 4.98271 . . . . . A . 8 LEU MD2 . . A . 9 GLN H . . . 8 . HD2# . . . . . 9 . HN . . rr_2lda 1
186 1 . . 1 1 9 9 LEU HB3 H . . . 1 1 10 10 GLN HA H . . . . . 0.0 -1.8 4.38828 . . . . . A . 8 LEU HB3 . . A . 9 GLN HA . . . 8 . HB1 . . . . . 9 . HA . . rr_2lda 1
187 1 . . 1 1 9 9 LEU MD2 H . . . 1 1 10 10 GLN HA H . . . . . 0.0 -1.8 4.52138 . . . . . A . 8 LEU MD2 . . A . 9 GLN HA . . . 8 . HD2# . . . . . 9 . HA . . rr_2lda 1
188 1 . . 1 1 9 9 LEU HB3 H . . . 1 1 10 10 GLN HB2 H . . . . . 0.0 -1.8 4.77084 . . . . . A . 8 LEU HB3 . . A . 9 GLN HB2 . . . 8 . HB1 . . . . . 9 . HB2 . . rr_2lda 1
189 1 OR . 1 1 9 9 LEU HB3 H . . . 1 1 10 10 GLN HG2 H . . . . . 0.0 -1.8 3.97332 . . . . . A . 8 LEU HB3 . . A . 9 GLN HG2 . . . 8 . HB1 . . . . . 9 . HG# . . rr_2lda 1
189 2 OR . 1 1 9 9 LEU HB3 H . . . 1 1 10 10 GLN HG3 H . . . . . 0.0 -1.8 3.97332 . . . . . A . 8 LEU HB3 . . A . 9 GLN HG3 . . . 8 . HB1 . . . . . 9 . HG# . . rr_2lda 1
190 1 OR . 1 1 9 9 LEU HG H . . . 1 1 10 10 GLN HG2 H . . . . . 0.0 -1.8 4.94885 . . . . . A . 8 LEU HG . . A . 9 GLN HG2 . . . 8 . HG . . . . . 9 . HG# . . rr_2lda 1
190 2 OR . 1 1 9 9 LEU HG H . . . 1 1 10 10 GLN HG3 H . . . . . 0.0 -1.8 4.94885 . . . . . A . 8 LEU HG . . A . 9 GLN HG3 . . . 8 . HG . . . . . 9 . HG# . . rr_2lda 1
191 1 OR . 1 1 9 9 LEU MD2 H . . . 1 1 10 10 GLN HG2 H . . . . . 0.0 -1.8 4.08714 . . . . . A . 8 LEU MD2 . . A . 9 GLN HG2 . . . 8 . HD2# . . . . . 9 . HG# . . rr_2lda 1
191 2 OR . 1 1 9 9 LEU MD2 H . . . 1 1 10 10 GLN HG3 H . . . . . 0.0 -1.8 4.08714 . . . . . A . 8 LEU MD2 . . A . 9 GLN HG3 . . . 8 . HD2# . . . . . 9 . HG# . . rr_2lda 1
192 1 . . 1 1 10 10 GLN H H . . . 1 1 11 11 ASP H H . . . . . 0.0 -1.8 3.01624 . . . . . A . 9 GLN H . . A . 10 ASP H . . . 9 . HN . . . . . 10 . HN . . rr_2lda 1
193 1 . . 1 1 10 10 GLN HA H . . . 1 1 11 11 ASP H H . . . . . 0.0 -1.8 3.66889 . . . . . A . 9 GLN HA . . A . 10 ASP H . . . 9 . HA . . . . . 10 . HN . . rr_2lda 1
194 1 . . 1 1 10 10 GLN HB3 H . . . 1 1 11 11 ASP H H . . . . . 0.0 -1.8 3.81959 . . . . . A . 9 GLN HB3 . . A . 10 ASP H . . . 9 . HB1 . . . . . 10 . HN . . rr_2lda 1
195 1 . . 1 1 10 10 GLN HB2 H . . . 1 1 11 11 ASP H H . . . . . 0.0 -1.8 3.37667 . . . . . A . 9 GLN HB2 . . A . 10 ASP H . . . 9 . HB2 . . . . . 10 . HN . . rr_2lda 1
196 1 OR . 1 1 11 11 ASP H H . . . 1 1 10 10 GLN HG2 H . . . . . 0.0 -1.8 4.22143 . . . . . A . 10 ASP H . . A . 9 GLN HG2 . . . 10 . HN . . . . . 9 . HG# . . rr_2lda 1
196 2 OR . 1 1 10 10 GLN HG3 H . . . 1 1 11 11 ASP H H . . . . . 0.0 -1.8 4.22143 . . . . . A . 9 GLN HG3 . . A . 10 ASP H . . . 9 . HG# . . . . . 10 . HN . . rr_2lda 1
197 1 . . 1 1 10 10 GLN HA H . . . 1 1 11 11 ASP HA H . . . . . 0.0 -1.8 4.93481 . . . . . A . 9 GLN HA . . A . 10 ASP HA . . . 9 . HA . . . . . 10 . HA . . rr_2lda 1
198 1 . . 1 1 10 10 GLN HB3 H . . . 1 1 11 11 ASP HA H . . . . . 0.0 -1.8 4.54039 . . . . . A . 9 GLN HB3 . . A . 10 ASP HA . . . 9 . HB1 . . . . . 10 . HA . . rr_2lda 1
199 1 . . 1 1 10 10 GLN HB2 H . . . 1 1 11 11 ASP HA H . . . . . 0.0 -1.8 4.71650 . . . . . A . 9 GLN HB2 . . A . 10 ASP HA . . . 9 . HB2 . . . . . 10 . HA . . rr_2lda 1
200 1 . . 1 1 10 10 GLN H H . . . 1 1 11 11 ASP HB3 H . . . . . 0.0 -1.8 4.84636 . . . . . A . 9 GLN H . . A . 10 ASP HB3 . . . 9 . HN . . . . . 10 . HB1 . . rr_2lda 1
201 1 . . 1 1 11 11 ASP H H . . . 1 1 12 12 SER H H . . . . . 0.0 -1.8 3.00422 . . . . . A . 10 ASP H . . A . 11 SER H . . . 10 . HN . . . . . 11 . HN . . rr_2lda 1
202 1 . . 1 1 11 11 ASP HA H . . . 1 1 12 12 SER H H . . . . . 0.0 -1.8 3.51348 . . . . . A . 10 ASP HA . . A . 11 SER H . . . 10 . HA . . . . . 11 . HN . . rr_2lda 1
203 1 . . 1 1 11 11 ASP HB3 H . . . 1 1 12 12 SER H H . . . . . 0.0 -1.8 3.78340 . . . . . A . 10 ASP HB3 . . A . 11 SER H . . . 10 . HB1 . . . . . 11 . HN . . rr_2lda 1
204 1 . . 1 1 11 11 ASP HB2 H . . . 1 1 12 12 SER H H . . . . . 0.0 -1.8 4.25701 . . . . . A . 10 ASP HB2 . . A . 11 SER H . . . 10 . HB2 . . . . . 11 . HN . . rr_2lda 1
205 1 . . 1 1 11 11 ASP HA H . . . 1 1 12 12 SER HA H . . . . . 0.0 -1.8 4.86900 . . . . . A . 10 ASP HA . . A . 11 SER HA . . . 10 . HA . . . . . 11 . HA . . rr_2lda 1
206 1 . . 1 1 11 11 ASP H H . . . 1 1 12 12 SER HB2 H . . . . . 0.0 -1.8 4.92788 . . . . . A . 10 ASP H . . A . 11 SER HB2 . . . 10 . HN . . . . . 11 . HB2 . . rr_2lda 1
207 1 . . 1 1 12 12 SER H H . . . 1 1 13 13 NH2 HN1 H . . . . . 0.0 -1.8 3.47600 . . . . . A . 11 SER H . . A . 12 NH2 HN1 . . . 11 . HN . . . . . 12 . HN1 . . rr_2lda 1
208 1 . . 1 1 12 12 SER HA H . . . 1 1 13 13 NH2 HN1 H . . . . . 0.0 -1.8 3.72917 . . . . . A . 11 SER HA . . A . 12 NH2 HN1 . . . 11 . HA . . . . . 12 . HN1 . . rr_2lda 1
209 1 . . 1 1 12 12 SER HB3 H . . . 1 1 13 13 NH2 HN1 H . . . . . 0.0 -1.8 4.62665 . . . . . A . 11 SER HB3 . . A . 12 NH2 HN1 . . . 11 . HB1 . . . . . 12 . HN1 . . rr_2lda 1
210 1 . . 1 1 12 12 SER HB2 H . . . 1 1 13 13 NH2 HN1 H . . . . . 0.0 -1.8 4.32430 . . . . . A . 11 SER HB2 . . A . 12 NH2 HN1 . . . 11 . HB2 . . . . . 12 . HN1 . . rr_2lda 1
211 1 . . 1 1 12 12 SER H H . . . 1 1 13 13 NH2 HN2 H . . . . . 0.0 -1.8 4.19508 . . . . . A . 11 SER H . . A . 12 NH2 HN2 . . . 11 . HN . . . . . 12 . HN2 . . rr_2lda 1
212 1 . . 1 1 12 12 SER HA H . . . 1 1 13 13 NH2 HN2 H . . . . . 0.0 -1.8 4.21495 . . . . . A . 11 SER HA . . A . 12 NH2 HN2 . . . 11 . HA . . . . . 12 . HN2 . . rr_2lda 1
213 1 . . 1 1 12 12 SER HB2 H . . . 1 1 13 13 NH2 HN2 H . . . . . 0.0 -1.8 4.67673 . . . . . A . 11 SER HB2 . . A . 12 NH2 HN2 . . . 11 . HB2 . . . . . 12 . HN2 . . rr_2lda 1
214 1 . . 1 1 3 3 LYS H H . . . 1 1 1 1 ACE H* H . . . . . 0.0 -1.8 3.45063 . . . . . A . 2 LYS H . . A . . ACE H* . . . 2 . HN . . . . . 0 . HB# . . rr_2lda 1
215 1 . . 1 1 3 3 LYS HB2 H . . . 1 1 1 1 ACE H* H . . . . . 0.0 -1.8 4.36163 . . . . . A . 2 LYS HB2 . . A . . ACE H* . . . 2 . HB2 . . . . . 0 . HB# . . rr_2lda 1
216 1 . . 1 1 4 4 Mk8 HN H . . . 1 1 1 1 ACE H* H . . . . . 0.0 -1.8 3.59242 . . . . . A . 3 MK8 HN . . A . . ACE H* . . . 3 . HN . . . . . 0 . HB# . . rr_2lda 1
217 1 . . 1 1 2 2 HIS H H . . . 1 1 4 4 Mk8 HN H . . . . . 0.0 -1.8 4.88175 . . . . . A . 1 HIS H . . A . 3 MK8 HN . . . 1 . HN . . . . . 3 . HN . . rr_2lda 1
218 1 . . 1 1 2 2 HIS HA H . . . 1 1 4 4 Mk8 HN H . . . . . 0.0 -1.8 4.97819 . . . . . A . 1 HIS HA . . A . 3 MK8 HN . . . 1 . HA . . . . . 3 . HN . . rr_2lda 1
219 1 . . 1 1 5 5 LEU H H . . . 1 1 1 1 ACE H* H . . . . . 0.0 -1.8 4.31812 . . . . . A . 4 LEU H . . A . . ACE H* . . . 4 . HN . . . . . 0 . HB# . . rr_2lda 1
220 1 . . 1 1 2 2 HIS HA H . . . 1 1 5 5 LEU H H . . . . . 0.0 -1.8 4.72798 . . . . . A . 1 HIS HA . . A . 4 LEU H . . . 1 . HA . . . . . 4 . HN . . rr_2lda 1
221 1 . . 1 1 3 3 LYS H H . . . 1 1 5 5 LEU H H . . . . . 0.0 -1.8 4.69393 . . . . . A . 2 LYS H . . A . 4 LEU H . . . 2 . HN . . . . . 4 . HN . . rr_2lda 1
222 1 . . 1 1 2 2 HIS HA H . . . 1 1 5 5 LEU HB3 H . . . . . 0.0 -1.8 4.68280 . . . . . A . 1 HIS HA . . A . 4 LEU HB3 . . . 1 . HA . . . . . 4 . HB1 . . rr_2lda 1
223 1 . . 1 1 2 2 HIS HA H . . . 1 1 5 5 LEU HB2 H . . . . . 0.0 -1.8 4.83189 . . . . . A . 1 HIS HA . . A . 4 LEU HB2 . . . 1 . HA . . . . . 4 . HB2 . . rr_2lda 1
224 1 . . 1 1 3 3 LYS HA H . . . 1 1 6 6 HIS H H . . . . . 0.0 -1.8 3.87427 . . . . . A . 2 LYS HA . . A . 5 HIS H . . . 2 . HA . . . . . 5 . HN . . rr_2lda 1
225 1 . . 1 1 4 4 Mk8 HN H . . . 1 1 6 6 HIS H H . . . . . 0.0 -1.8 4.29309 . . . . . A . 3 MK8 HN . . A . 5 HIS H . . . 3 . HN . . . . . 5 . HN . . rr_2lda 1
226 1 OR . 1 1 3 3 LYS H H . . . 1 1 6 6 HIS HB2 H . . . . . 0.0 -1.8 4.92121 . . . . . A . 2 LYS H . . A . 5 HIS HB2 . . . 2 . HN . . . . . 5 . HB# . . rr_2lda 1
226 2 OR . 1 1 3 3 LYS H H . . . 1 1 6 6 HIS HB3 H . . . . . 0.0 -1.8 4.92121 . . . . . A . 2 LYS H . . A . 5 HIS HB3 . . . 2 . HN . . . . . 5 . HB# . . rr_2lda 1
227 1 OR . 1 1 3 3 LYS HA H . . . 1 1 6 6 HIS HB2 H . . . . . 0.0 -1.8 3.60360 . . . . . A . 2 LYS HA . . A . 5 HIS HB2 . . . 2 . HA . . . . . 5 . HB# . . rr_2lda 1
227 2 OR . 1 1 3 3 LYS HA H . . . 1 1 6 6 HIS HB3 H . . . . . 0.0 -1.8 3.60360 . . . . . A . 2 LYS HA . . A . 5 HIS HB3 . . . 2 . HA . . . . . 5 . HB# . . rr_2lda 1
228 1 OR . 1 1 3 3 LYS HB3 H . . . 1 1 6 6 HIS HB2 H . . . . . 0.0 -1.8 4.08257 . . . . . A . 2 LYS HB3 . . A . 5 HIS HB2 . . . 2 . HB1 . . . . . 5 . HB# . . rr_2lda 1
228 2 OR . 1 1 3 3 LYS HB3 H . . . 1 1 6 6 HIS HB3 H . . . . . 0.0 -1.8 4.08257 . . . . . A . 2 LYS HB3 . . A . 5 HIS HB3 . . . 2 . HB1 . . . . . 5 . HB# . . rr_2lda 1
229 1 OR . 1 1 3 3 LYS HB2 H . . . 1 1 6 6 HIS HB2 H . . . . . 0.0 -1.8 4.46362 . . . . . A . 2 LYS HB2 . . A . 5 HIS HB2 . . . 2 . HB2 . . . . . 5 . HB# . . rr_2lda 1
229 2 OR . 1 1 3 3 LYS HB2 H . . . 1 1 6 6 HIS HB3 H . . . . . 0.0 -1.8 4.46362 . . . . . A . 2 LYS HB2 . . A . 5 HIS HB3 . . . 2 . HB2 . . . . . 5 . HB# . . rr_2lda 1
230 1 OR . 1 1 3 3 LYS HG2 H . . . 1 1 6 6 HIS HB2 H . . . . . 0.0 -1.8 4.71515 . . . . . A . 2 LYS HG2 . . A . 5 HIS HB2 . . . 2 . HG2 . . . . . 5 . HB# . . rr_2lda 1
230 2 OR . 1 1 3 3 LYS HG2 H . . . 1 1 6 6 HIS HB3 H . . . . . 0.0 -1.8 4.71515 . . . . . A . 2 LYS HG2 . . A . 5 HIS HB3 . . . 2 . HG2 . . . . . 5 . HB# . . rr_2lda 1
231 1 . . 1 1 3 3 LYS HA H . . . 1 1 7 7 GLN H H . . . . . 0.0 -1.8 4.92894 . . . . . A . 2 LYS HA . . A . 6 GLN H . . . 2 . HA . . . . . 6 . HN . . rr_2lda 1
232 1 . . 1 1 5 5 LEU H H . . . 1 1 7 7 GLN H H . . . . . 0.0 -1.8 4.53409 . . . . . A . 4 LEU H . . A . 6 GLN H . . . 4 . HN . . . . . 6 . HN . . rr_2lda 1
233 1 . . 1 1 5 5 LEU HA H . . . 1 1 7 7 GLN H H . . . . . 0.0 -1.8 4.46389 . . . . . A . 4 LEU HA . . A . 6 GLN H . . . 4 . HA . . . . . 6 . HN . . rr_2lda 1
234 1 . . 1 1 5 5 LEU HA H . . . 1 1 7 7 GLN HB2 H . . . . . 0.0 -1.8 4.98019 . . . . . A . 4 LEU HA . . A . 6 GLN HB2 . . . 4 . HA . . . . . 6 . HB2 . . rr_2lda 1
235 1 . . 1 1 3 3 LYS HB3 H . . . 1 1 7 7 GLN HG3 H . . . . . 0.0 -1.8 4.86299 . . . . . A . 2 LYS HB3 . . A . 6 GLN HG3 . . . 2 . HB1 . . . . . 6 . HG1 . . rr_2lda 1
236 1 . . 1 1 3 3 LYS HB3 H . . . 1 1 7 7 GLN HG2 H . . . . . 0.0 -1.8 4.83558 . . . . . A . 2 LYS HB3 . . A . 6 GLN HG2 . . . 2 . HB1 . . . . . 6 . HG2 . . rr_2lda 1
237 1 . . 1 1 5 5 LEU HA H . . . 1 1 8 8 Mk8 HN H . . . . . 0.0 -1.8 3.80962 . . . . . A . 4 LEU HA . . A . 7 MK8 HN . . . 4 . HA . . . . . 7 . HN . . rr_2lda 1
238 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 8 8 Mk8 HN H . . . . . 0.0 -1.8 4.74928 . . . . . A . 4 LEU MD1 . . A . 7 MK8 HN . . . 4 . HD1# . . . . . 7 . HN . . rr_2lda 1
239 1 . . 1 1 6 6 HIS H H . . . 1 1 8 8 Mk8 HN H . . . . . 0.0 -1.8 4.35378 . . . . . A . 5 HIS H . . A . 7 MK8 HN . . . 5 . HN . . . . . 7 . HN . . rr_2lda 1
240 1 OR . 1 1 8 8 Mk8 HN H . . . 1 1 6 6 HIS HB2 H . . . . . 0.0 -1.8 4.80755 . . . . . A . 7 MK8 HN . . A . 5 HIS HB2 . . . 7 . HN . . . . . 5 . HB# . . rr_2lda 1
240 2 OR . 1 1 6 6 HIS HB3 H . . . 1 1 8 8 Mk8 HN H . . . . . 0.0 -1.8 4.80755 . . . . . A . 5 HIS HB3 . . A . 7 MK8 HN . . . 5 . HB# . . . . . 7 . HN . . rr_2lda 1
241 1 . . 1 1 5 5 LEU HA H . . . 1 1 9 9 LEU H H . . . . . 0.0 -1.8 4.34480 . . . . . A . 4 LEU HA . . A . 8 LEU H . . . 4 . HA . . . . . 8 . HN . . rr_2lda 1
242 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 9 9 LEU H H . . . . . 0.0 -1.8 4.06651 . . . . . A . 4 LEU MD1 . . A . 8 LEU H . . . 4 . HD1# . . . . . 8 . HN . . rr_2lda 1
243 1 . . 1 1 6 6 HIS H H . . . 1 1 9 9 LEU H H . . . . . 0.0 -1.8 4.94228 . . . . . A . 5 HIS H . . A . 8 LEU H . . . 5 . HN . . . . . 8 . HN . . rr_2lda 1
244 1 . . 1 1 6 6 HIS HA H . . . 1 1 9 9 LEU H H . . . . . 0.0 -1.8 4.25547 . . . . . A . 5 HIS HA . . A . 8 LEU H . . . 5 . HA . . . . . 8 . HN . . rr_2lda 1
245 1 OR . 1 1 9 9 LEU H H . . . 1 1 6 6 HIS HB2 H . . . . . 0.0 -1.8 4.89019 . . . . . A . 8 LEU H . . A . 5 HIS HB2 . . . 8 . HN . . . . . 5 . HB# . . rr_2lda 1
245 2 OR . 1 1 6 6 HIS HB3 H . . . 1 1 9 9 LEU H H . . . . . 0.0 -1.8 4.89019 . . . . . A . 5 HIS HB3 . . A . 8 LEU H . . . 5 . HB# . . . . . 8 . HN . . rr_2lda 1
246 1 . . 1 1 7 7 GLN H H . . . 1 1 9 9 LEU H H . . . . . 0.0 -1.8 4.10297 . . . . . A . 6 GLN H . . A . 8 LEU H . . . 6 . HN . . . . . 8 . HN . . rr_2lda 1
247 1 . . 1 1 7 7 GLN HA H . . . 1 1 9 9 LEU H H . . . . . 0.0 -1.8 4.25187 . . . . . A . 6 GLN HA . . A . 8 LEU H . . . 6 . HA . . . . . 8 . HN . . rr_2lda 1
248 1 . . 1 1 7 7 GLN HB2 H . . . 1 1 9 9 LEU H H . . . . . 0.0 -1.8 4.87161 . . . . . A . 6 GLN HB2 . . A . 8 LEU H . . . 6 . HB2 . . . . . 8 . HN . . rr_2lda 1
249 1 . . 1 1 6 6 HIS HA H . . . 1 1 9 9 LEU HB3 H . . . . . 0.0 -1.8 4.19799 . . . . . A . 5 HIS HA . . A . 8 LEU HB3 . . . 5 . HA . . . . . 8 . HB1 . . rr_2lda 1
250 1 OR . 1 1 9 9 LEU HB3 H . . . 1 1 6 6 HIS HB2 H . . . . . 0.0 -1.8 4.94106 . . . . . A . 8 LEU HB3 . . A . 5 HIS HB2 . . . 8 . HB1 . . . . . 5 . HB# . . rr_2lda 1
250 2 OR . 1 1 6 6 HIS HB3 H . . . 1 1 9 9 LEU HB3 H . . . . . 0.0 -1.8 4.94106 . . . . . A . 5 HIS HB3 . . A . 8 LEU HB3 . . . 5 . HB# . . . . . 8 . HB1 . . rr_2lda 1
251 1 . . 1 1 5 5 LEU HG H . . . 1 1 9 9 LEU HB2 H . . . . . 0.0 -1.8 4.40825 . . . . . A . 4 LEU HG . . A . 8 LEU HB2 . . . 4 . HG . . . . . 8 . HB2 . . rr_2lda 1
252 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 9 9 LEU HB2 H . . . . . 0.0 -1.8 3.59598 . . . . . A . 4 LEU MD1 . . A . 8 LEU HB2 . . . 4 . HD1# . . . . . 8 . HB2 . . rr_2lda 1
253 1 . . 1 1 6 6 HIS HA H . . . 1 1 9 9 LEU HB2 H . . . . . 0.0 -1.8 3.86125 . . . . . A . 5 HIS HA . . A . 8 LEU HB2 . . . 5 . HA . . . . . 8 . HB2 . . rr_2lda 1
254 1 . . 1 1 7 7 GLN H H . . . 1 1 9 9 LEU HB2 H . . . . . 0.0 -1.8 4.90602 . . . . . A . 6 GLN H . . A . 8 LEU HB2 . . . 6 . HN . . . . . 8 . HB2 . . rr_2lda 1
255 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 9 9 LEU HG H . . . . . 0.0 -1.8 4.65382 . . . . . A . 4 LEU MD1 . . A . 8 LEU HG . . . 4 . HD1# . . . . . 8 . HG . . rr_2lda 1
256 1 . . 1 1 5 5 LEU MD2 H . . . 1 1 9 9 LEU MD1 H . . . . . 0.0 -1.8 4.58680 . . . . . A . 4 LEU MD2 . . A . 8 LEU MD1 . . . 4 . HD2# . . . . . 8 . HD1# . . rr_2lda 1
257 1 . . 1 1 5 5 LEU MD2 H . . . 1 1 9 9 LEU MD2 H . . . . . 0.0 -1.8 4.95925 . . . . . A . 4 LEU MD2 . . A . 8 LEU MD2 . . . 4 . HD2# . . . . . 8 . HD2# . . rr_2lda 1
258 1 . . 1 1 6 6 HIS HA H . . . 1 1 9 9 LEU MD2 H . . . . . 0.0 -1.8 3.85328 . . . . . A . 5 HIS HA . . A . 8 LEU MD2 . . . 5 . HA . . . . . 8 . HD2# . . rr_2lda 1
259 1 OR . 1 1 9 9 LEU MD2 H . . . 1 1 6 6 HIS HB2 H . . . . . 0.0 -1.8 4.56774 . . . . . A . 8 LEU MD2 . . A . 5 HIS HB2 . . . 8 . HD2# . . . . . 5 . HB# . . rr_2lda 1
259 2 OR . 1 1 6 6 HIS HB3 H . . . 1 1 9 9 LEU MD2 H . . . . . 0.0 -1.8 4.56774 . . . . . A . 5 HIS HB3 . . A . 8 LEU MD2 . . . 5 . HB# . . . . . 8 . HD2# . . rr_2lda 1
260 1 . . 1 1 6 6 HIS HD2 H . . . 1 1 9 9 LEU MD2 H . . . . . 0.0 -1.8 4.81454 . . . . . A . 5 HIS HD2 . . A . 8 LEU MD2 . . . 5 . HD2 . . . . . 8 . HD2# . . rr_2lda 1
261 1 . . 1 1 6 6 HIS HA H . . . 1 1 10 10 GLN H H . . . . . 0.0 -1.8 4.80348 . . . . . A . 5 HIS HA . . A . 9 GLN H . . . 5 . HA . . . . . 9 . HN . . rr_2lda 1
262 1 . . 1 1 7 7 GLN HA H . . . 1 1 10 10 GLN H H . . . . . 0.0 -1.8 3.72288 . . . . . A . 6 GLN HA . . A . 9 GLN H . . . 6 . HA . . . . . 9 . HN . . rr_2lda 1
263 1 . . 1 1 8 8 Mk8 HN H . . . 1 1 10 10 GLN H H . . . . . 0.0 -1.8 4.67983 . . . . . A . 7 MK8 HN . . A . 9 GLN H . . . 7 . HN . . . . . 9 . HN . . rr_2lda 1
264 1 . . 1 1 7 7 GLN HA H . . . 1 1 10 10 GLN HB3 H . . . . . 0.0 -1.8 4.70238 . . . . . A . 6 GLN HA . . A . 9 GLN HB3 . . . 6 . HA . . . . . 9 . HB1 . . rr_2lda 1
265 1 . . 1 1 7 7 GLN HA H . . . 1 1 10 10 GLN HB2 H . . . . . 0.0 -1.8 3.56591 . . . . . A . 6 GLN HA . . A . 9 GLN HB2 . . . 6 . HA . . . . . 9 . HB2 . . rr_2lda 1
266 1 . . 1 1 7 7 GLN HB3 H . . . 1 1 10 10 GLN HB2 H . . . . . 0.0 -1.8 4.60023 . . . . . A . 6 GLN HB3 . . A . 9 GLN HB2 . . . 6 . HB1 . . . . . 9 . HB2 . . rr_2lda 1
267 1 OR . 1 1 6 6 HIS HE1 H . . . 1 1 10 10 GLN HG2 H . . . . . 0.0 -1.8 4.97258 . . . . . A . 5 HIS HE1 . . A . 9 GLN HG2 . . . 5 . HE1 . . . . . 9 . HG# . . rr_2lda 1
267 2 OR . 1 1 6 6 HIS HE1 H . . . 1 1 10 10 GLN HG3 H . . . . . 0.0 -1.8 4.97258 . . . . . A . 5 HIS HE1 . . A . 9 GLN HG3 . . . 5 . HE1 . . . . . 9 . HG# . . rr_2lda 1
268 1 OR . 1 1 7 7 GLN HA H . . . 1 1 10 10 GLN HG2 H . . . . . 0.0 -1.8 4.40430 . . . . . A . 6 GLN HA . . A . 9 GLN HG2 . . . 6 . HA . . . . . 9 . HG# . . rr_2lda 1
268 2 OR . 1 1 7 7 GLN HA H . . . 1 1 10 10 GLN HG3 H . . . . . 0.0 -1.8 4.40430 . . . . . A . 6 GLN HA . . A . 9 GLN HG3 . . . 6 . HA . . . . . 9 . HG# . . rr_2lda 1
269 1 . . 1 1 7 7 GLN HA H . . . 1 1 11 11 ASP H H . . . . . 0.0 -1.8 4.46271 . . . . . A . 6 GLN HA . . A . 10 ASP H . . . 6 . HA . . . . . 10 . HN . . rr_2lda 1
270 1 . . 1 1 9 9 LEU H H . . . 1 1 11 11 ASP H H . . . . . 0.0 -1.8 4.81379 . . . . . A . 8 LEU H . . A . 10 ASP H . . . 8 . HN . . . . . 10 . HN . . rr_2lda 1
271 1 . . 1 1 9 9 LEU HA H . . . 1 1 11 11 ASP H H . . . . . 0.0 -1.8 4.96923 . . . . . A . 8 LEU HA . . A . 10 ASP H . . . 8 . HA . . . . . 10 . HN . . rr_2lda 1
272 1 . . 1 1 9 9 LEU HA H . . . 1 1 12 12 SER H H . . . . . 0.0 -1.8 4.63474 . . . . . A . 8 LEU HA . . A . 11 SER H . . . 8 . HA . . . . . 11 . HN . . rr_2lda 1
273 1 . . 1 1 10 10 GLN H H . . . 1 1 12 12 SER H H . . . . . 0.0 -1.8 3.90865 . . . . . A . 9 GLN H . . A . 11 SER H . . . 9 . HN . . . . . 11 . HN . . rr_2lda 1
274 1 . . 1 1 10 10 GLN HA H . . . 1 1 12 12 SER H H . . . . . 0.0 -1.8 4.79091 . . . . . A . 9 GLN HA . . A . 11 SER H . . . 9 . HA . . . . . 11 . HN . . rr_2lda 1
275 1 . . 1 1 10 10 GLN HB2 H . . . 1 1 12 12 SER H H . . . . . 0.0 -1.8 4.94920 . . . . . A . 9 GLN HB2 . . A . 11 SER H . . . 9 . HB2 . . . . . 11 . HN . . rr_2lda 1
276 1 . . 1 1 9 9 LEU HA H . . . 1 1 12 12 SER HB3 H . . . . . 0.0 -1.8 4.44427 . . . . . A . 8 LEU HA . . A . 11 SER HB3 . . . 8 . HA . . . . . 11 . HB1 . . rr_2lda 1
277 1 . . 1 1 9 9 LEU HA H . . . 1 1 12 12 SER HB2 H . . . . . 0.0 -1.8 4.44611 . . . . . A . 8 LEU HA . . A . 11 SER HB2 . . . 8 . HA . . . . . 11 . HB2 . . rr_2lda 1
278 1 . . 1 1 10 10 GLN H H . . . 1 1 13 13 NH2 HN1 H . . . . . 0.0 -1.8 4.96007 . . . . . A . 9 GLN H . . A . 12 NH2 HN1 . . . 9 . HN . . . . . 12 . HN1 . . rr_2lda 1
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1
;File: p145c_intraresidue.txt
Description: intraresidue NOE restraints from NMRSwarm calculation in X-PLOR/CNS format.
Note: the force value following each entry describes the individual weighting applied
to that restraint. This value is a measure of the confidence of the NOE distance
restraint assignment. Individual force constants are not available in X-PLOR/CNS.
Disclaimer: these restraints have not been tested in either X-PLOR or CNS.
;
1 1 6 77 rr_2lda 1
2 "force: 0.359895" 8 71 8 88 rr_2lda 1
3 "force: 0.126515" 9 73 9 90 rr_2lda 1
4 "force: 0.436414" 10 73 10 90 rr_2lda 1
5 "force: 0.256737" 11 73 11 90 rr_2lda 1
6 "force: 0.289599" 12 73 12 90 rr_2lda 1
7 "force: 0.0928691" 13 73 13 91 rr_2lda 1
8 "force: 0.24323" 14 73 14 89 rr_2lda 1
9 "force: 0.0775131" 15 74 15 92 rr_2lda 1
10 "force: 0.133713" 16 74 16 91 rr_2lda 1
11 "force: 0.123353" 17 74 17 91 rr_2lda 1
12 "force: 0.156394" 18 72 18 89 rr_2lda 1
13 "force: 0.213807" 19 73 19 90 rr_2lda 1
14 "force: 0.0666185" 20 73 20 91 rr_2lda 1
15 "force: 0.409005" 21 73 21 90 rr_2lda 1
16 "force: 0.128017" 22 72 22 89 rr_2lda 1
17 "force: 0.0689932" 23 71 23 89 rr_2lda 1
18 "force: 0.287867" 24 73 24 90 rr_2lda 1
19 "force: 0.155914" 25 73 25 90 rr_2lda 1
20 "force: 0.0584289" 26 74 26 92 rr_2lda 1
21 "force: 0.117562" 27 74 27 91 rr_2lda 1
22 "force: 0.370271" 28 73 28 90 rr_2lda 1
23 "force: 0.118087" 29 73 29 90 rr_2lda 1
24 "force: 0.0637188" 30 73 30 91 rr_2lda 1
25 "force: 0.163765" 31 74 31 91 rr_2lda 1
26 "force: 0.303136" 32 73 32 90 rr_2lda 1
27 "force: 0.122779" 33 73 33 90 rr_2lda 1
28 "force: 0.0672591" 34 74 34 92 rr_2lda 1
29 "force: 0.110534" 35 73 35 90 rr_2lda 1
30 "force: 0.0778372" 36 74 36 92 rr_2lda 1
31 "force: 0.055283" 37 74 37 91 rr_2lda 1
32 "force: 0.0937007" 38 74 38 92 rr_2lda 1
33 "force: 0.183584" 39 74 39 91 rr_2lda 1
34 "force: 0.0441526" 40 74 40 92 rr_2lda 1
35 "force: 0.0242631" 41 74 41 92 rr_2lda 1
36 "force: 0.053574" 42 74 42 91 rr_2lda 1
37 "force: 0.095053" 43 74 43 91 rr_2lda 1
38 "force: 0.184115" 44 74 44 91 rr_2lda 1
39 "force: 0.0434514" 45 74 45 92 rr_2lda 1
40 "force: 0.0796631" 46 74 46 92 rr_2lda 1
41 "force: 0.203696" 47 74 47 91 rr_2lda 1
42 "force: 0.262436" 48 74 48 91 rr_2lda 1
43 "force: 0.035203" 49 76 49 93 rr_2lda 1
44 "force: 0.31137" 50 73 50 89 rr_2lda 1
45 "force: 0.0843644" 51 76 51 94 rr_2lda 1
46 "force: 0.142549" 52 76 52 93 rr_2lda 1
47 "force: 0.21498" 53 74 53 90 rr_2lda 1
48 "force: 0.18298" 54 76 54 92 rr_2lda 1
49 "force: 0.228599" 55 76 55 93 rr_2lda 1
50 "force: 0.0635433" 56 76 56 94 rr_2lda 1
51 "force: 0.138381" 57 74 57 91 rr_2lda 1
52 "force: 0.0258698" 58 76 58 94 rr_2lda 1
53 "force: 0.022084" 59 76 59 93 rr_2lda 1
54 "force: 0.0631139" 60 76 60 94 rr_2lda 1
55 "force: 0.0230713" 61 76 61 94 rr_2lda 1
56 "force: 0.0303897" 62 76 62 94 rr_2lda 1
57 "force: 0.0772124" 63 76 63 94 rr_2lda 1
58 "force: 0.182094" 64 76 64 93 rr_2lda 1
59 "force: 0.0191554" 65 76 65 94 rr_2lda 1
60 "force: 0.586271" 66 74 66 91 rr_2lda 1
61 "force: 0.0643283" 67 76 67 94 rr_2lda 1
62 "force: 0.304246" 68 76 68 93 rr_2lda 1
63 "force: 0.401794" 69 76 69 93 rr_2lda 1
64 "force: 0.0685871" 70 76 70 94 rr_2lda 1
65 "force: 0.0565007" 71 76 71 94 rr_2lda 1
66 "force: 0.197006" 72 75 72 92 rr_2lda 1
67 "force: 0.173448" 73 75 73 92 rr_2lda 1
68 "force: 0.864457" 74 75 74 92 rr_2lda 1
69 "force: 0.128643" 75 75 75 92 rr_2lda 1
70 "force: 0.185663" 76 75 76 92 rr_2lda 1
71 "force: 0.38846" 77 75 77 91 rr_2lda 1
72 "force: 0.116105" 78 72 78 89 rr_2lda 1
73 "force: 0.0715111" 79 73 79 91 rr_2lda 1
74 "force: 0.0675119" 80 73 80 91 rr_2lda 1
75 "force: 0.177255" 81 73 81 90 rr_2lda 1
76 "force: 0.186064" 82 73 82 90 rr_2lda 1
77 "force: 0.023477" 83 74 83 91 rr_2lda 1
78 "force: 0.0821295" 84 72 84 90 rr_2lda 1
79 "force: 0.0780104" 85 72 85 90 rr_2lda 1
80 "force: 0.0360765" 86 73 86 91 rr_2lda 1
81 "force: 0.0998295" 87 74 87 92 rr_2lda 1
82 "force: 0.102252" 88 74 88 91 rr_2lda 1
83 "force: 0.0178937" 89 75 89 93 rr_2lda 1
84 "force: 0.1015" 90 75 90 90 rr_2lda 1
85 "force: 0.0181007" 91 74 91 92 rr_2lda 1
86 "force: 0.170962" 92 74 92 91 rr_2lda 1
87 "force: 0.166538" 93 73 93 90 rr_2lda 1
88 "force: 0.0278447" 94 75 94 93 rr_2lda 1
89 "force: 0.16305" 95 75 95 91 rr_2lda 1
90 "force: 0.0283429" 96 74 96 92 rr_2lda 1
91 "force: 0.321364" 97 72 97 89 rr_2lda 1
92 "force: 0.341474" 98 73 98 90 rr_2lda 1
93 "force: 0.504596" 99 73 99 90 rr_2lda 1
94 "force: 0.226556" 100 73 100 90 rr_2lda 1
95 "force: 0.591116" 101 73 101 90 rr_2lda 1
96 "force: 0.610983" 102 74 102 91 rr_2lda 1
97 "force: 0.33167" 103 74 103 90 rr_2lda 1
98 "force: 0.116874" 104 74 104 91 rr_2lda 1
99 "force: 0.222019" 105 72 105 89 rr_2lda 1
100 "force: 0.224707" 106 73 106 90 rr_2lda 1
101 "force: 0.0942829" 107 73 107 91 rr_2lda 1
102 "force: 0.752014" 108 73 108 90 rr_2lda 1
103 "force: 0.333122" 109 73 109 90 rr_2lda 1
104 "force: 0.0977054" 110 74 110 92 rr_2lda 1
105 "force: 0.424434" 111 73 111 90 rr_2lda 1
106 "force: 0.216725" 112 73 112 90 rr_2lda 1
107 "force: 0.0989655" 113 74 113 92 rr_2lda 1
108 "force: 0.483449" 114 73 114 90 rr_2lda 1
109 "force: 0.143945" 115 73 115 90 rr_2lda 1
110 "force: 0.0902354" 116 74 116 92 rr_2lda 1
111 "force: 0.217193" 117 74 117 91 rr_2lda 1
112 "force: 0.0536121" 118 75 118 93 rr_2lda 1
113 "force: 0.141456" 119 75 119 92 rr_2lda 1
114 "force: 0.0344908" 120 75 120 93 rr_2lda 1
115 "force: 0.0258697" 121 75 121 93 rr_2lda 1
116 "force: 0.229006" 122 75 122 92 rr_2lda 1
117 "force: 0.747511" 123 75 123 92 rr_2lda 1
118 "force: 0.550029" 124 75 124 92 rr_2lda 1
119 "force: 0.444336" 125 75 125 92 rr_2lda 1
120 "force: 0.203068" 126 76 126 93 rr_2lda 1
121 "force: 0.137088" 127 74 127 91 rr_2lda 1
122 "force: 0.213748" 128 74 128 91 rr_2lda 1
123 "force: 0.0195936" 129 76 129 94 rr_2lda 1
124 "force: 0.302448" 130 74 130 91 rr_2lda 1
125 "force: 0.0416841" 131 76 131 94 rr_2lda 1
126 "force: 0.0895227" 132 76 132 94 rr_2lda 1
127 "force: 0.235087" 133 74 133 91 rr_2lda 1
128 "force: 0.0517447" 134 76 134 94 rr_2lda 1
129 "force: 0.0492183" 135 76 135 94 rr_2lda 1
130 "force: 0.355267" 136 74 136 91 rr_2lda 1
131 "force: 0.0795154" 137 76 137 94 rr_2lda 1
132 "force: 0.0729986" 138 76 138 94 rr_2lda 1
133 "force: 0.0491349" 139 76 139 94 rr_2lda 1
134 "force: 0.0552514" 140 76 140 94 rr_2lda 1
135 "force: 0.103871" 141 74 141 91 rr_2lda 1
136 "force: 0.0163293" 142 76 142 94 rr_2lda 1
137 "force: 0.0392445" 143 76 143 94 rr_2lda 1
138 "force: 0.0372559" 144 76 144 94 rr_2lda 1
139 "force: 0.057436" 145 76 145 93 rr_2lda 1
140 "force: 0.198654" 146 74 146 91 rr_2lda 1
141 "force: 0.017205" 147 76 147 93 rr_2lda 1
142 "force: 0.0783217" 148 76 148 94 rr_2lda 1
143 "force: 0.04372" 149 76 149 92 rr_2lda 1
144 "force: 0.0649195" 150 76 150 94 rr_2lda 1
145 "force: 0.0148072" 151 76 151 94 rr_2lda 1
146 "force: 0.128067" 152 75 152 92 rr_2lda 1
147 "force: 0.210103" 153 75 153 92 rr_2lda 1
148 "force: 0.208909" 154 75 154 92 rr_2lda 1
149 "force: 0.252184" 155 75 155 92 rr_2lda 1
150 "force: 0.367531" 156 75 156 92 rr_2lda 1
151 "force: 0.131198" 157 74 157 91 rr_2lda 1
152 "force: 0.183147" 158 75 158 92 rr_2lda 1
153 "force: 0.171622" 159 72 159 89 rr_2lda 1
154 "force: 0.205752" 160 73 160 90 rr_2lda 1
155 "force: 0.0705982" 161 73 161 91 rr_2lda 1
156 "force: 0.257167" 162 73 162 90 rr_2lda 1
157 "force: 0.0786387" 163 73 163 91 rr_2lda 1
158 "force: 0.034659" 164 74 164 91 rr_2lda 1
159 "force: 0.190823" 165 72 165 89 rr_2lda 1
160 "force: 0.0551958" 166 72 166 90 rr_2lda 1
161 "force: 0.0285933" 167 73 167 91 rr_2lda 1
162 "force: 0.28261" 168 74 168 90 rr_2lda 1
163 "force: 0.12257" 169 73 169 89 rr_2lda 1
164 "force: 0.0759435" 170 75 170 93 rr_2lda 1
165 "force: 0.0450765" 171 75 171 93 rr_2lda 1
166 "force: 0.0417433" 172 74 172 92 rr_2lda 1
167 "force: 0.196463" 173 74 173 91 rr_2lda 1
168 "force: 0.102452" 174 74 174 91 rr_2lda 1
169 "force: 0.0278244" 175 75 175 93 rr_2lda 1
170 "force: 0.0286641" 176 75 176 93 rr_2lda 1
171 "force: 0.0253401" 177 74 177 92 rr_2lda 1
172 "force: 0.0104506" 178 76 178 94 rr_2lda 1
173 "force: 0.215791" 179 72 179 89 rr_2lda 1
174 "force: 0.0905419" 180 73 180 91 rr_2lda 1
175 "force: 0.0686633" 181 73 181 91 rr_2lda 1
176 "force: 0.232637" 182 73 182 90 rr_2lda 1
177 "force: 0.114526" 183 73 183 90 rr_2lda 1
178 "force: 0.0311047" 184 74 184 92 rr_2lda 1
179 "force: 0.318456" 185 72 185 89 rr_2lda 1
180 "force: 0.0996407" 186 73 186 91 rr_2lda 1
181 "force: 0.0733599" 187 74 187 92 rr_2lda 1
182 "force: 0.146129" 188 74 188 91 rr_2lda 1
183 "force: 0.0582115" 189 75 189 93 rr_2lda 1
184 "force: 0.106963" 190 75 190 92 rr_2lda 1
185 "force: 0.0176296" 191 75 191 93 rr_2lda 1
186 "force: 0.354014" 192 74 192 91 rr_2lda 1
187 "force: 0.228494" 193 76 193 93 rr_2lda 1
188 "force: 0.464755" 194 74 194 91 rr_2lda 1
189 "force: 0.91924" 195 75 195 91 rr_2lda 1
190 "force: 0.294727" 196 75 196 92 rr_2lda 1
191 "force: 0.683246" 197 75 197 92 rr_2lda 1
192 "force: 0.309327" 198 75 198 92 rr_2lda 1
193 "force: 0.542781" 199 76 199 93 rr_2lda 1
194 "force: 0.172111" 200 74 200 91 rr_2lda 1
195 "force: 0.199" 201 75 201 89 rr_2lda 1
196 "force: 0.163566" 202 75 202 92 rr_2lda 1
197 "force: 0.107194" 203 75 203 92 rr_2lda 1
198 "force: 0.0942472" 204 75 204 93 rr_2lda 1
199 "force: 0.0107708" 205 76 205 94 rr_2lda 1
200
;force: 0.491665
File: p145c_long-range.txt
Description: long-range NOE restraints from NMRSwarm calculation in X-PLOR/CNS format.
Note: the force value following each entry describes the individual weighting applied
to that restraint. This value is a measure of the confidence of the NOE distance
restraint assignment. Individual force constants are not available in X-PLOR/CNS.
Disclaimer: these restraints have not been tested in either X-PLOR or CNS.
File: p145c_sequential.txt
Description: sequential NOE restraints from NMRSwarm calculation in X-PLOR/CNS format.
Note: the force value following each entry describes the individual weighting applied
to that restraint. This value is a measure of the confidence of the NOE distance
restraint assignment. Individual force constants are not available in X-PLOR/CNS.
Disclaimer: these restraints have not been tested in either X-PLOR or CNS.
;
206 76 219 77 rr_2lda 1
201 "force: 0.120749" 221 72 221 89 rr_2lda 1
202 "force: 0.245048" 222 73 222 90 rr_2lda 1
203 "force: 0.148655" 223 74 223 91 rr_2lda 1
204 "force: 0.126419" 224 74 224 91 rr_2lda 1
205 "force: 0.233742" 225 72 225 89 rr_2lda 1
206 "force: 0.329053" 226 73 226 90 rr_2lda 1
207 "force: 0.297859" 227 73 227 90 rr_2lda 1
208 "force: 0.102604" 228 72 228 89 rr_2lda 1
209 "force: 0.194763" 229 73 229 90 rr_2lda 1
210 "force: 0.0467509" 230 74 230 92 rr_2lda 1
211 "force: 0.676557" 231 72 231 89 rr_2lda 1
212 "force: 0.207329" 232 72 232 89 rr_2lda 1
213 "force: 0.196172" 233 73 233 90 rr_2lda 1
214 "force: 0.393037" 234 73 234 90 rr_2lda 1
215 "force: 0.267667" 235 73 235 90 rr_2lda 1
216 "force: 0.249545" 236 73 236 90 rr_2lda 1
217 "force: 0.0591177" 237 75 237 93 rr_2lda 1
218 "force: 0.0635146" 238 75 238 93 rr_2lda 1
219 "force: 0.27557" 239 74 239 90 rr_2lda 1
220 "force: 0.1142" 240 74 240 89 rr_2lda 1
221 "force: 0.0806" 241 75 241 90 rr_2lda 1
222 "force: 0.155353" 242 74 242 91 rr_2lda 1
223 "force: 0.131582" 243 75 243 92 rr_2lda 1
224 "force: 0.32043" 244 72 244 88 rr_2lda 1
225 "force: 0.113409" 245 74 245 91 rr_2lda 1
226 "force: 0.118573" 246 74 246 91 rr_2lda 1
227 "force: 0.168068" 247 74 247 91 rr_2lda 1
228 "force: 0.345945" 248 74 248 91 rr_2lda 1
229 "force: 0.0555935" 249 74 249 92 rr_2lda 1
230 "force: 0.104179" 250 74 250 91 rr_2lda 1
231 "force: 0.251761" 251 72 251 89 rr_2lda 1
232 "force: 0.139819" 252 73 252 90 rr_2lda 1
233 "force: 0.167645" 253 74 253 91 rr_2lda 1
234 "force: 0.0861782" 254 74 254 92 rr_2lda 1
235 "force: 0.293405" 255 73 255 90 rr_2lda 1
236 "force: 0.0327127" 256 75 256 93 rr_2lda 1
237 "force: 0.0228036" 257 75 257 93 rr_2lda 1
238 "force: 0.0385223" 258 75 258 93 rr_2lda 1
239 "force: 0.187563" 259 75 259 92 rr_2lda 1
240 "force: 0.023627" 260 76 260 93 rr_2lda 1
241 "force: 0.126297" 261 76 261 93 rr_2lda 1
242 "force: 0.125123" 262 75 262 92 rr_2lda 1
243 "force: 0.0555432" 263 76 263 94 rr_2lda 1
244 "force: 0.178236" 264 76 264 93 rr_2lda 1
245 "force: 0.203453" 265 72 265 89 rr_2lda 1
246 "force: 0.116198" 266 73 266 90 rr_2lda 1
247 "force: 0.302381" 267 73 267 90 rr_2lda 1
248 "force: 0.196895" 268 74 268 91 rr_2lda 1
249 "force: 0.308762" 269 74 269 91 rr_2lda 1
250 "force: 0.266865" 270 72 270 89 rr_2lda 1
251 "force: 0.181353" 271 73 271 90 rr_2lda 1
252 "force: 0.526423" 272 74 272 91 rr_2lda 1
253 "force: 0.214594" 273 73 273 90 rr_2lda 1
254 "force: 0.177197" 274 74 274 91 rr_2lda 1
255 "force: 0.548767" 275 72 275 89 rr_2lda 1
256 "force: 0.644371" 276 72 276 89 rr_2lda 1
257 "force: 0.921703" 277 73 277 90 rr_2lda 1
258 "force: 0.487829" 278 73 278 90 rr_2lda 1
259 "force: 0.0547566" 279 72 279 90 rr_2lda 1
260 "force: 0.406364" 280 73 280 90 rr_2lda 1
261 "force: 0.398404" 281 73 281 90 rr_2lda 1
262 "force: 0.804263" 282 74 282 91 rr_2lda 1
263 "force: 0.421249" 283 73 283 90 rr_2lda 1
264 "force: 0.794553" 284 72 284 89 rr_2lda 1
265 "force: 0.190781" 285 72 285 89 rr_2lda 1
266 "force: 0.195568" 286 72 286 89 rr_2lda 1
267 "force: 0.699688" 287 73 287 90 rr_2lda 1
268 "force: 0.244916" 288 73 288 90 rr_2lda 1
269 "force: 0.370528" 289 74 289 91 rr_2lda 1
270 "force: 0.130364" 290 74 290 91 rr_2lda 1
271 "force: 0.0892152" 291 75 291 93 rr_2lda 1
272 "force: 0.348352" 292 75 292 92 rr_2lda 1
273 "force: 0.0478142" 293 75 293 93 rr_2lda 1
274 "force: 0.282822" 294 75 294 92 rr_2lda 1
275 "force: 0.150403" 295 75 295 92 rr_2lda 1
276 "force: 0.388754" 296 74 296 91 rr_2lda 1
277 "force: 0.357211" 297 75 297 92 rr_2lda 1
278 "force: 0.0767429" 298 74 298 92 rr_2lda 1
279 "force: 0.038768" 299 75 299 92 rr_2lda 1
280 "force: 0.254725" 300 73 300 90 rr_2lda 1
281 "force: 0.686281" 301 72 301 89 rr_2lda 1
282 "force: 0.190122" 302 74 302 91 rr_2lda 1
283 "force: 0.183404" 303 74 303 91 rr_2lda 1
284 "force: 0.24973" 304 74 304 90 rr_2lda 1
285 "force: 0.222268" 305 74 305 91 rr_2lda 1
286 "force: 0.309939" 306 74 306 91 rr_2lda 1
287 "force: 0.117822" 307 74 307 91 rr_2lda 1
288 "force: 0.0866987" 308 74 308 92 rr_2lda 1
289 "force: 0.0738895" 309 73 309 91 rr_2lda 1
290 "force: 0.088329" 310 74 310 91 rr_2lda 1
291 "force: 0.200569" 311 73 311 90 rr_2lda 1
292 "force: 0.0471651" 312 75 312 93 rr_2lda 1
293 "force: 0.0966" 313 75 313 90 rr_2lda 1
294 "force: 0.185492" 314 72 314 89 rr_2lda 1
295 "force: 0.222949" 315 72 315 89 rr_2lda 1
296 "force: 0.263544" 316 73 316 90 rr_2lda 1
297 "force: 0.199581" 317 72 317 89 rr_2lda 1
298 "force: 0.294017" 318 74 318 91 rr_2lda 1
299 "force: 0.239875" 319 74 319 91 rr_2lda 1
300 "force: 0.0741182" 320 73 320 91 rr_2lda 1
301 "force: 0.112396" 321 74 321 91 rr_2lda 1
302 "force: 0.0617146" 322 74 322 92 rr_2lda 1
303 "force: 0.0668006" 323 74 323 92 rr_2lda 1
304 "force: 0.0555906" 324 73 324 91 rr_2lda 1
305 "force: 0.058593" 325 75 325 92 rr_2lda 1
306 "force: 0.831068" 326 73 326 90 rr_2lda 1
307 "force: 0.276272" 327 73 327 90 rr_2lda 1
308 "force: 0.268436" 328 74 328 91 rr_2lda 1
309 "force: 0.537711" 329 74 329 91 rr_2lda 1
310 "force: 0.231283" 330 74 330 91 rr_2lda 1
311 "force: 0.178256" 331 73 331 90 rr_2lda 1
312 "force: 0.106409" 332 74 332 91 rr_2lda 1
313 "force: 0.224353" 333 73 333 90 rr_2lda 1
314 "force: 0.710252" 334 74 334 91 rr_2lda 1
315 "force: 0.213585" 335 74 335 91 rr_2lda 1
316 "force: 0.165286" 336 74 336 91 rr_2lda 1
317 "force: 0.461156" 337 74 337 91 rr_2lda 1
318 "force: 0.273817" 338 75 338 92 rr_2lda 1
319 "force: 0.320782" 339 72 339 89 rr_2lda 1
320 "force: 0.253324" 340 75 340 92 rr_2lda 1
321 "force: 0.459717" 341 73 341 90 rr_2lda 1
322 "force: 0.338948" 342 75 342 92 rr_2lda 1
323 "force: 0.48353" 343 76 343 92 rr_2lda 1
324 "force: 0.237611" 344 75 344 92 rr_2lda 1
325 "force: 0.440662" 345 75 345 92 rr_2lda 1
326 "force: 0.455332" 346 75 346 92 rr_2lda 1
327
;force: 0.281456
File: p145c_short-range.txt
Description: short-range NOE restraints from NMRSwarm calculation in X-PLOR/CNS format.
Note: the force value following each entry describes the individual weighting applied
to that restraint. This value is a measure of the confidence of the NOE distance
restraint assignment. Individual force constants are not available in X-PLOR/CNS.
Disclaimer: these restraints have not been tested in either X-PLOR or CNS.
;
347 76 353 77 rr_2lda 1
328 "force: 0.162353" 355 73 355 90 rr_2lda 1
329 "force: 0.0953437" 356 74 356 92 rr_2lda 1
330 "force: 0.358422" 357 73 357 90 rr_2lda 1
331 "force: 0.652285" 358 72 358 89 rr_2lda 1
332 "force: 0.516361" 359 72 359 89 rr_2lda 1
333 "force: 0.0523868" 360 75 360 93 rr_2lda 1
334 "force: 0.187364" 361 73 361 90 rr_2lda 1
335 "force: 0.285573" 362 72 362 89 rr_2lda 1
336 "force: 0.352437" 363 72 363 89 rr_2lda 1
337 "force: 0.154965" 364 72 364 89 rr_2lda 1
338 "force: 0.425897" 365 73 365 90 rr_2lda 1
339 "force: 0.195418" 366 72 366 89 rr_2lda 1
340 "force: 0.542311" 367 72 367 89 rr_2lda 1
341 "force: 0.261374" 368 74 368 91 rr_2lda 1
342 "force: 0.621635" 369 73 369 90 rr_2lda 1
343 "force: 0.382053" 370 72 370 89 rr_2lda 1
344 "force: 0.186911" 371 74 371 91 rr_2lda 1
345 "force: 0.424519" 372 74 372 91 rr_2lda 1
346 "force: 0.416462" 373 74 373 91 rr_2lda 1
347 "force: 0.364783" 374 75 374 92 rr_2lda 1
348 "force: 0.266119" 375 72 375 89 rr_2lda 1
349 "force: 0.416819" 376 74 376 91 rr_2lda 1
350 "force: 0.407371" 377 72 377 89 rr_2lda 1
351 "force: 0.394414" 378 72 378 89 rr_2lda 1
352 "force: 0.145121" 379 74 379 91 rr_2lda 1
353 "force: 0.0845243" 380 74 380 92 rr_2lda 1
354 "force: 0.387898" 381 74 381 91 rr_2lda 1
355 "force: 0.0818916" 382 75 382 93 rr_2lda 1
356 "force: 0.178836" 383 73 383 90 rr_2lda 1
357 "force: 0.066374" 384 74 384 91 rr_2lda 1
358 "force: 0.24802" 385 75 385 91 rr_2lda 1
359 "force: 0.0722867" 386 74 386 92 rr_2lda 1
360 "force: 0.136749" 387 75 387 92 rr_2lda 1
361 "force: 0.14976" 388 76 388 92 rr_2lda 1
362 "force: 0.373855" 389 76 389 93 rr_2lda 1
363 "force: 0.329119" 390 74 390 91 rr_2lda 1
364 "force: 0.194834" 391 74 391 91 rr_2lda 1
365 "force: 0.375077" 392 72 392 89 rr_2lda 1
366 "force: 0.0996704" 393 74 393 92 rr_2lda 1
367 "force: 0.549991" 394 72 394 89 rr_2lda 1
368 "force: 0.714425" 395 73 395 90 rr_2lda 1
369 "force: 0.0285643" 396 76 396 94 rr_2lda 1
370 "force: 0.0905161" 397 74 397 92 rr_2lda 1
371 "force: 0.0187941" 398 76 398 94 rr_2lda 1
372 "force: 0.0292148" 399 76 399 94 rr_2lda 1
373 "force: 0.0255006" 400 76 400 94 rr_2lda 1
374 "force: 0.125998" 401 74 401 91 rr_2lda 1
375 "force: 0.0181201" 402 74 402 92 rr_2lda 1
376 "force: 0.037768" 403 76 403 93 rr_2lda 1
377 "force: 0.0283751" 404 76 404 94 rr_2lda 1
378 "force: 0.16548" 405 76 405 92 rr_2lda 1
379 "force: 0.158749" 406 75 406 92 rr_2lda 1
380 "force: 0.130791" 407 74 407 91 rr_2lda 1
381 "force: 0.121652" 408 74 408 91 rr_2lda 1
382 "force: 0.045857" 409 74 409 91 rr_2lda 1
383 "force: 0.013201" 410 76 410 93 rr_2lda 1
384 "force: 0.0259908" 411 76 411 94 rr_2lda 1
385 "force: 0.193798" 412 74 412 91 rr_2lda 1
386 "force: 0.0413929" 413 76 413 94 rr_2lda 1
387 "force: 0.038924" 414 76 414 93 rr_2lda 1
388 "force: 0.231298" 415 76 415 93 rr_2lda 1
389 "force: 0.270962" 416 74 416 91 rr_2lda 1
390 "force: 0.179355" 417 74 417 91 rr_2lda 1
391 "force: 0.0392317" 418 76 418 94 rr_2lda 1
392 "force: 0.0543346" 419 76 419 94 rr_2lda 1
393 "force: 0.0401741" 420 76 420 94 rr_2lda 1
394 "force: 0.0896888" 421 75 421 93 rr_2lda 1
395 "force: 0.0671169" 422 74 422 92 rr_2lda 1
396 "force: 0.0131787" 423 76 423 94 rr_2lda 1
397 "force: 0.0235361" 424 76 424 94 rr_2lda 1
398 "force: 0.0749066" 425 75 425 93 rr_2lda 1
399 "force: 0.0844714" 426 74 426 92 rr_2lda 1
400 "force: 0.112558" 427 74 427 91 rr_2lda 1
401 "force: 0.0158976" 428 74 428 92 rr_2lda 1
402 "force: 0.0358895" 429 76 429 94 rr_2lda 1
403 "force: 0.152214" 430 74 430 91 rr_2lda 1
404 "force: 0.435961" 431 75 431 92 rr_2lda 1
405 "force: 0.0801178" 432 75 432 93 rr_2lda 1
406 "force: 0.212077" 433 75 433 92 rr_2lda 1
407 "force: 0.352562" 434 75 434 92 rr_2lda 1
408 "force: 0.227939" 435 74 435 91 rr_2lda 1
409 "force: 0.42508" 436 73 436 89 rr_2lda 1
410 "force: 0.153621" 437 75 437 92 rr_2lda 1
411 "force: 0.337478" 438 71 438 88 rr_2lda 1
412 "force: 0.185959" 439 74 439 91 rr_2lda 1
413 "force: 0.0287844" 440 72 440 90 rr_2lda 1
414 "force: 0.730799" 441 72 441 89 rr_2lda 1
415 "force: 0.530103" 442 73 442 90 rr_2lda 1
416 "force: 0.150568" 443 72 443 89 rr_2lda 1
417 "force: 0.258455" 444 72 444 89 rr_2lda 1
418 "force: 0.435662" 445 73 445 90 rr_2lda 1
419 "force: 0.253843" 446 73 446 90 rr_2lda 1
420 "force: 0.239909" 447 74 447 91 rr_2lda 1
421 "force: 0.0275435" 448 73 448 91 rr_2lda 1
422 "force: 0.0287196" 449 75 449 93 rr_2lda 1
423 "force: 0.205507" 450 73 450 90 rr_2lda 1
424 "force: 0.148308" 451 73 451 90 rr_2lda 1
425 "force: 0.0239553" 452 74 452 92 rr_2lda 1
426 "force: 0.0232379" 453 75 453 93 rr_2lda 1
427 "force: 0.0136411" 454 76 454 94 rr_2lda 1
428 "force: 0.32391" 455 74 455 90 rr_2lda 1
429 "force: 0.279656" 456 75 456 92 rr_2lda 1
430 "force: 0.217052" 457 75 457 92 rr_2lda 1
431 "force: 0.753424" 458 72 458 89 rr_2lda 1
432 "force: 0.275237" 459 72 459 89 rr_2lda 1
433 "force: 0.687182" 460 72 460 89 rr_2lda 1
434 "force: 0.25819" 461 73 461 89 rr_2lda 1
435 "force: 0.0979167" 462 73 462 91 rr_2lda 1
436 "force: 0.17429" 463 73 463 89 rr_2lda 1
437 "force: 0.0290673" 464 74 464 92 rr_2lda 1
438 "force: 0.10596" 465 74 465 90 rr_2lda 1
439 "force: 0.115502" 466 72 466 89 rr_2lda 1
440 "force: 0.390163" 467 73 467 90 rr_2lda 1
441 "force: 0.361723" 468 75 468 92 rr_2lda 1
442 "force: 0.731944" 469 73 469 90 rr_2lda 1
443 "force: 0.297067" 470 73 470 90 rr_2lda 1
444 "force: 0.131521" 471 75 471 92 rr_2lda 1
445 "force: 0.282374" 472 76 472 93 rr_2lda 1
446 "force: 0.282103" 473 76 473 93 rr_2lda 1
447 "force: 0.182677" 474 75 474 92 rr_2lda 1
448 "force: 0.142334" 475 73 475 90 rr_2lda 1
449 "force: 0.191945" 476 73 476 90 rr_2lda 1
450 "force: 0.159086" 477 73 477 90 rr_2lda 1
451 "force: 0.256104" 478 73 478 90 rr_2lda 1
452 "force: 0.243607" 479 76 479 93 rr_2lda 1
453 "force: 0.171458" 480 74 480 91 rr_2lda 1
454 "force: 0.126837" 481 76 481 93 rr_2lda 1
455 "force: 0.0610399" 482 74 482 92 rr_2lda 1
456 "force: 0.450437" 483 74 483 91 rr_2lda 1
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .3.HB11' (nmrStar names) not linked" rr_2lda 1
2 2 41 1 "Not handling restraint 41, item 1, resonance(s) ' .3.HB12' (nmrStar names) not linked" rr_2lda 1
3 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .3.HB11' (nmrStar names),' .3.HB12' (nmrStar names) not linked" rr_2lda 1
4 2 43 1 "Not handling restraint 43, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
5 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .3.HB11' (nmrStar names),' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
6 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .3.HB12' (nmrStar names),' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
7 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .3.HG11' (nmrStar names) not linked" rr_2lda 1
8 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .3.HB11' (nmrStar names),' .3.HG11' (nmrStar names) not linked" rr_2lda 1
9 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .3.HB12' (nmrStar names),' .3.HG11' (nmrStar names) not linked" rr_2lda 1
10 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .3.HB2#' (nmrStar names),' .3.HG11' (nmrStar names) not linked" rr_2lda 1
11 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .3.HG12' (nmrStar names) not linked" rr_2lda 1
12 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .3.HB11' (nmrStar names),' .3.HG12' (nmrStar names) not linked" rr_2lda 1
13 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .3.HB12' (nmrStar names),' .3.HG12' (nmrStar names) not linked" rr_2lda 1
14 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .3.HG11' (nmrStar names),' .3.HG12' (nmrStar names) not linked" rr_2lda 1
15 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .3.HB11' (nmrStar names),' .3.HD11' (nmrStar names) not linked" rr_2lda 1
16 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .3.HB12' (nmrStar names),' .3.HD11' (nmrStar names) not linked" rr_2lda 1
17 2 56 1 "Not handling restraint 56, item 1, resonance(s) ' .3.HB2#' (nmrStar names),' .3.HD11' (nmrStar names) not linked" rr_2lda 1
18 2 57 1 "Not handling restraint 57, item 1, resonance(s) ' .3.HG11' (nmrStar names),' .3.HD11' (nmrStar names) not linked" rr_2lda 1
19 2 58 1 "Not handling restraint 58, item 1, resonance(s) ' .3.HG12' (nmrStar names),' .3.HD11' (nmrStar names) not linked" rr_2lda 1
20 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .3.HD12' (nmrStar names) not linked" rr_2lda 1
21 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .3.HB11' (nmrStar names),' .3.HD12' (nmrStar names) not linked" rr_2lda 1
22 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .3.HB2#' (nmrStar names),' .3.HD12' (nmrStar names) not linked" rr_2lda 1
23 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .3.HG11' (nmrStar names),' .3.HD12' (nmrStar names) not linked" rr_2lda 1
24 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .3.HG12' (nmrStar names),' .3.HD12' (nmrStar names) not linked" rr_2lda 1
25 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .3.HD11' (nmrStar names),' .3.HD12' (nmrStar names) not linked" rr_2lda 1
26 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .3.HB11' (nmrStar names),' .3.HE1' (nmrStar names) not linked" rr_2lda 1
27 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .3.HB12' (nmrStar names),' .3.HE1' (nmrStar names) not linked" rr_2lda 1
28 2 67 1 "Not handling restraint 67, item 1, resonance(s) ' .3.HG11' (nmrStar names),' .3.HE1' (nmrStar names) not linked" rr_2lda 1
29 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .3.HG12' (nmrStar names),' .3.HE1' (nmrStar names) not linked" rr_2lda 1
30 2 69 1 "Not handling restraint 69, item 1, resonance(s) ' .3.HD11' (nmrStar names),' .3.HE1' (nmrStar names) not linked" rr_2lda 1
31 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .3.HD12' (nmrStar names),' .3.HE1' (nmrStar names) not linked" rr_2lda 1
32 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .7.HB11' (nmrStar names) not linked" rr_2lda 1
33 2 121 1 "Not handling restraint 121, item 1, resonance(s) ' .7.HB12' (nmrStar names) not linked" rr_2lda 1
34 2 122 1 "Not handling restraint 122, item 1, resonance(s) ' .7.HB11' (nmrStar names),' .7.HB12' (nmrStar names) not linked" rr_2lda 1
35 2 123 1 "Not handling restraint 123, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
36 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .7.HB11' (nmrStar names),' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
37 2 125 1 "Not handling restraint 125, item 1, resonance(s) ' .7.HB12' (nmrStar names),' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
38 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
39 2 127 1 "Not handling restraint 127, item 1, resonance(s) ' .7.HB11' (nmrStar names),' .7.HG11' (nmrStar names) not linked" rr_2lda 1
40 2 128 1 "Not handling restraint 128, item 1, resonance(s) ' .7.HB12' (nmrStar names),' .7.HG11' (nmrStar names) not linked" rr_2lda 1
41 2 129 1 "Not handling restraint 129, item 1, resonance(s) ' .7.HG12' (nmrStar names) not linked" rr_2lda 1
42 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .7.HB11' (nmrStar names),' .7.HG12' (nmrStar names) not linked" rr_2lda 1
43 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .7.HB12' (nmrStar names),' .7.HG12' (nmrStar names) not linked" rr_2lda 1
44 2 132 1 "Not handling restraint 132, item 1, resonance(s) ' .7.HB2#' (nmrStar names),' .7.HG12' (nmrStar names) not linked" rr_2lda 1
45 2 133 1 "Not handling restraint 133, item 1, resonance(s) ' .7.HG11' (nmrStar names),' .7.HG12' (nmrStar names) not linked" rr_2lda 1
46 2 134 1 "Not handling restraint 134, item 1, resonance(s) ' .7.HD11' (nmrStar names) not linked" rr_2lda 1
47 2 135 1 "Not handling restraint 135, item 1, resonance(s) ' .7.HB12' (nmrStar names),' .7.HD11' (nmrStar names) not linked" rr_2lda 1
48 2 136 1 "Not handling restraint 136, item 1, resonance(s) ' .7.HB2#' (nmrStar names),' .7.HD11' (nmrStar names) not linked" rr_2lda 1
49 2 137 1 "Not handling restraint 137, item 1, resonance(s) ' .7.HG11' (nmrStar names),' .7.HD11' (nmrStar names) not linked" rr_2lda 1
50 2 138 1 "Not handling restraint 138, item 1, resonance(s) ' .7.HG12' (nmrStar names),' .7.HD11' (nmrStar names) not linked" rr_2lda 1
51 2 139 1 "Not handling restraint 139, item 1, resonance(s) ' .7.HD12' (nmrStar names) not linked" rr_2lda 1
52 2 140 1 "Not handling restraint 140, item 1, resonance(s) ' .7.HB11' (nmrStar names),' .7.HD12' (nmrStar names) not linked" rr_2lda 1
53 2 141 1 "Not handling restraint 141, item 1, resonance(s) ' .7.HB2#' (nmrStar names),' .7.HD12' (nmrStar names) not linked" rr_2lda 1
54 2 142 1 "Not handling restraint 142, item 1, resonance(s) ' .7.HG11' (nmrStar names),' .7.HD12' (nmrStar names) not linked" rr_2lda 1
55 2 143 1 "Not handling restraint 143, item 1, resonance(s) ' .7.HG12' (nmrStar names),' .7.HD12' (nmrStar names) not linked" rr_2lda 1
56 2 144 1 "Not handling restraint 144, item 1, resonance(s) ' .7.HD11' (nmrStar names),' .7.HD12' (nmrStar names) not linked" rr_2lda 1
57 2 145 1 "Not handling restraint 145, item 1, resonance(s) ' .7.HB11' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
58 2 146 1 "Not handling restraint 146, item 1, resonance(s) ' .7.HB12' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
59 2 147 1 "Not handling restraint 147, item 1, resonance(s) ' .7.HB2#' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
60 2 148 1 "Not handling restraint 148, item 1, resonance(s) ' .7.HG11' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
61 2 149 1 "Not handling restraint 149, item 1, resonance(s) ' .7.HG12' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
62 2 150 1 "Not handling restraint 150, item 1, resonance(s) ' .7.HD11' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
63 2 151 1 "Not handling restraint 151, item 1, resonance(s) ' .7.HD12' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
64 2 216 1 "Not handling restraint 216, item 1, resonance(s) ' .3.HB11' (nmrStar names) not linked" rr_2lda 1
65 2 217 1 "Not handling restraint 217, item 1, resonance(s) ' .3.HB12' (nmrStar names) not linked" rr_2lda 1
66 2 218 1 "Not handling restraint 218, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
67 2 219 1 "Not handling restraint 219, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
68 2 220 1 "Not handling restraint 220, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
69 2 221 1 "Not handling restraint 221, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
70 2 222 1 "Not handling restraint 222, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
71 2 222 1 "Not handling restraint 222, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
72 2 224 1 "Not handling restraint 224, item 1, resonance(s) ' .3.HB11' (nmrStar names) not linked" rr_2lda 1
73 2 225 1 "Not handling restraint 225, item 1, resonance(s) ' .3.HB12' (nmrStar names) not linked" rr_2lda 1
74 2 226 1 "Not handling restraint 226, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
75 2 227 1 "Not handling restraint 227, item 1, resonance(s) ' .3.HG11' (nmrStar names) not linked" rr_2lda 1
76 2 228 1 "Not handling restraint 228, item 1, resonance(s) ' .3.HG12' (nmrStar names) not linked" rr_2lda 1
77 2 229 1 "Not handling restraint 229, item 1, resonance(s) ' .3.HD11' (nmrStar names) not linked" rr_2lda 1
78 2 230 1 "Not handling restraint 230, item 1, resonance(s) ' .3.HD12' (nmrStar names) not linked" rr_2lda 1
79 2 231 1 "Not handling restraint 231, item 1, resonance(s) ' .3.HB11' (nmrStar names) not linked" rr_2lda 1
80 2 232 1 "Not handling restraint 232, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
81 2 233 1 "Not handling restraint 233, item 1, resonance(s) ' .3.HD11' (nmrStar names) not linked" rr_2lda 1
82 2 234 1 "Not handling restraint 234, item 1, resonance(s) ' .3.HD12' (nmrStar names) not linked" rr_2lda 1
83 2 235 1 "Not handling restraint 235, item 1, resonance(s) ' .3.HB11' (nmrStar names) not linked" rr_2lda 1
84 2 236 1 "Not handling restraint 236, item 1, resonance(s) ' .3.HD11' (nmrStar names) not linked" rr_2lda 1
85 2 237 1 "Not handling restraint 237, item 1, resonance(s) ' .3.HB11' (nmrStar names) not linked" rr_2lda 1
86 2 238 1 "Not handling restraint 238, item 1, resonance(s) ' .3.HD12' (nmrStar names) not linked" rr_2lda 1
87 2 239 1 "Not handling restraint 239, item 1, resonance(s) ' .3.HD11' (nmrStar names) not linked" rr_2lda 1
88 2 240 1 "Not handling restraint 240, item 1, resonance(s) ' .3.HD12' (nmrStar names) not linked" rr_2lda 1
89 2 241 1 "Not handling restraint 241, item 1, resonance(s) ' .3.HE1' (nmrStar names) not linked" rr_2lda 1
90 2 242 1 "Not handling restraint 242, item 1, resonance(s) ' .3.HD11' (nmrStar names) not linked" rr_2lda 1
91 2 243 1 "Not handling restraint 243, item 1, resonance(s) ' .3.HD12' (nmrStar names) not linked" rr_2lda 1
92 2 268 1 "Not handling restraint 268, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
93 2 269 1 "Not handling restraint 269, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
94 2 270 1 "Not handling restraint 270, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
95 2 271 1 "Not handling restraint 271, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
96 2 272 1 "Not handling restraint 272, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
97 2 273 1 "Not handling restraint 273, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
98 2 274 1 "Not handling restraint 274, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
99 2 275 1 "Not handling restraint 275, item 1, resonance(s) ' .7.HG12' (nmrStar names) not linked" rr_2lda 1
100 2 276 1 "Not handling restraint 276, item 1, resonance(s) ' .7.HG12' (nmrStar names) not linked" rr_2lda 1
101 2 277 1 "Not handling restraint 277, item 1, resonance(s) ' .7.HD11' (nmrStar names) not linked" rr_2lda 1
102 2 278 1 "Not handling restraint 278, item 1, resonance(s) ' .7.HD11' (nmrStar names) not linked" rr_2lda 1
103 2 279 1 "Not handling restraint 279, item 1, resonance(s) ' .7.HD12' (nmrStar names) not linked" rr_2lda 1
104 2 281 1 "Not handling restraint 281, item 1, resonance(s) ' .7.HB11' (nmrStar names) not linked" rr_2lda 1
105 2 282 1 "Not handling restraint 282, item 1, resonance(s) ' .7.HB12' (nmrStar names) not linked" rr_2lda 1
106 2 283 1 "Not handling restraint 283, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
107 2 284 1 "Not handling restraint 284, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
108 2 285 1 "Not handling restraint 285, item 1, resonance(s) ' .7.HG12' (nmrStar names) not linked" rr_2lda 1
109 2 286 1 "Not handling restraint 286, item 1, resonance(s) ' .7.HD11' (nmrStar names) not linked" rr_2lda 1
110 2 287 1 "Not handling restraint 287, item 1, resonance(s) ' .7.HB11' (nmrStar names) not linked" rr_2lda 1
111 2 288 1 "Not handling restraint 288, item 1, resonance(s) ' .7.HB12' (nmrStar names) not linked" rr_2lda 1
112 2 289 1 "Not handling restraint 289, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
113 2 291 1 "Not handling restraint 291, item 1, resonance(s) ' .7.HB12' (nmrStar names) not linked" rr_2lda 1
114 2 292 1 "Not handling restraint 292, item 1, resonance(s) ' .7.HB12' (nmrStar names) not linked" rr_2lda 1
115 2 332 1 "Not handling restraint 332, item 1, resonance(s) ' .3.HB11' (nmrStar names) not linked" rr_2lda 1
116 2 340 1 "Not handling restraint 340, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
117 2 346 1 "Not handling restraint 346, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
118 2 346 1 "Not handling restraint 346, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
119 2 348 1 "Not handling restraint 348, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
120 2 351 1 "Not handling restraint 351, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
121 2 352 1 "Not handling restraint 352, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
122 2 353 1 "Not handling restraint 353, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
123 2 354 1 "Not handling restraint 354, item 1, resonance(s) ' .3.HD11' (nmrStar names) not linked" rr_2lda 1
124 2 357 1 "Not handling restraint 357, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
125 2 359 1 "Not handling restraint 359, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
126 2 360 1 "Not handling restraint 360, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
127 2 361 1 "Not handling restraint 361, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
128 2 362 1 "Not handling restraint 362, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
129 2 363 1 "Not handling restraint 363, item 1, resonance(s) ' .3.HD11' (nmrStar names) not linked" rr_2lda 1
130 2 368 1 "Not handling restraint 368, item 1, resonance(s) ' .3.HD11' (nmrStar names),' .7.HB11' (nmrStar names) not linked" rr_2lda 1
131 2 369 1 "Not handling restraint 369, item 1, resonance(s) ' .7.HB11' (nmrStar names) not linked" rr_2lda 1
132 2 370 1 "Not handling restraint 370, item 1, resonance(s) ' .7.HB11' (nmrStar names) not linked" rr_2lda 1
133 2 371 1 "Not handling restraint 371, item 1, resonance(s) ' .7.HB11' (nmrStar names) not linked" rr_2lda 1
134 2 372 1 "Not handling restraint 372, item 1, resonance(s) ' .3.HD11' (nmrStar names),' .7.HB12' (nmrStar names) not linked" rr_2lda 1
135 2 373 1 "Not handling restraint 373, item 1, resonance(s) ' .7.HB12' (nmrStar names) not linked" rr_2lda 1
136 2 374 1 "Not handling restraint 374, item 1, resonance(s) ' .7.HB12' (nmrStar names) not linked" rr_2lda 1
137 2 375 1 "Not handling restraint 375, item 1, resonance(s) ' .7.HB12' (nmrStar names) not linked" rr_2lda 1
138 2 376 1 "Not handling restraint 376, item 1, resonance(s) ' .3.HG12' (nmrStar names),' .7.HG11' (nmrStar names) not linked" rr_2lda 1
139 2 377 1 "Not handling restraint 377, item 1, resonance(s) ' .3.HD12' (nmrStar names),' .7.HG11' (nmrStar names) not linked" rr_2lda 1
140 2 378 1 "Not handling restraint 378, item 1, resonance(s) ' .3.HE1' (nmrStar names),' .7.HG11' (nmrStar names) not linked" rr_2lda 1
141 2 379 1 "Not handling restraint 379, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
142 2 380 1 "Not handling restraint 380, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
143 2 381 1 "Not handling restraint 381, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
144 2 382 1 "Not handling restraint 382, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
145 2 383 1 "Not handling restraint 383, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
146 2 384 1 "Not handling restraint 384, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
147 2 385 1 "Not handling restraint 385, item 1, resonance(s) ' .3.HB2#' (nmrStar names),' .7.HG12' (nmrStar names) not linked" rr_2lda 1
148 2 386 1 "Not handling restraint 386, item 1, resonance(s) ' .3.HG12' (nmrStar names),' .7.HG12' (nmrStar names) not linked" rr_2lda 1
149 2 387 1 "Not handling restraint 387, item 1, resonance(s) ' .3.HD12' (nmrStar names),' .7.HG12' (nmrStar names) not linked" rr_2lda 1
150 2 388 1 "Not handling restraint 388, item 1, resonance(s) ' .3.HE1' (nmrStar names),' .7.HG12' (nmrStar names) not linked" rr_2lda 1
151 2 389 1 "Not handling restraint 389, item 1, resonance(s) ' .7.HG12' (nmrStar names) not linked" rr_2lda 1
152 2 390 1 "Not handling restraint 390, item 1, resonance(s) ' .7.HG12' (nmrStar names) not linked" rr_2lda 1
153 2 391 1 "Not handling restraint 391, item 1, resonance(s) ' .3.HB2#' (nmrStar names),' .7.HD11' (nmrStar names) not linked" rr_2lda 1
154 2 392 1 "Not handling restraint 392, item 1, resonance(s) ' .3.HD12' (nmrStar names),' .7.HD11' (nmrStar names) not linked" rr_2lda 1
155 2 393 1 "Not handling restraint 393, item 1, resonance(s) ' .3.HE1' (nmrStar names),' .7.HD11' (nmrStar names) not linked" rr_2lda 1
156 2 394 1 "Not handling restraint 394, item 1, resonance(s) ' .7.HD11' (nmrStar names) not linked" rr_2lda 1
157 2 395 1 "Not handling restraint 395, item 1, resonance(s) ' .3.HG12' (nmrStar names),' .7.HD12' (nmrStar names) not linked" rr_2lda 1
158 2 396 1 "Not handling restraint 396, item 1, resonance(s) ' .3.HD11' (nmrStar names),' .7.HD12' (nmrStar names) not linked" rr_2lda 1
159 2 397 1 "Not handling restraint 397, item 1, resonance(s) ' .3.HE1' (nmrStar names),' .7.HD12' (nmrStar names) not linked" rr_2lda 1
160 2 398 1 "Not handling restraint 398, item 1, resonance(s) ' .7.HD12' (nmrStar names) not linked" rr_2lda 1
161 2 399 1 "Not handling restraint 399, item 1, resonance(s) ' .7.HD12' (nmrStar names) not linked" rr_2lda 1
162 2 400 1 "Not handling restraint 400, item 1, resonance(s) ' .7.HD12' (nmrStar names) not linked" rr_2lda 1
163 2 401 1 "Not handling restraint 401, item 1, resonance(s) ' .7.HD12' (nmrStar names) not linked" rr_2lda 1
164 2 402 1 "Not handling restraint 402, item 1, resonance(s) ' .7.HD12' (nmrStar names) not linked" rr_2lda 1
165 2 403 1 "Not handling restraint 403, item 1, resonance(s) ' .3.HG11' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
166 2 404 1 "Not handling restraint 404, item 1, resonance(s) ' .3.HG12' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
167 2 405 1 "Not handling restraint 405, item 1, resonance(s) ' .3.HD11' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
168 2 406 1 "Not handling restraint 406, item 1, resonance(s) ' .3.HD12' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
169 2 407 1 "Not handling restraint 407, item 1, resonance(s) ' .3.HE1' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
170 2 408 1 "Not handling restraint 408, item 1, resonance(s) ' .7.HE1' (nmrStar names) not linked" rr_2lda 1
171 2 409 1 "Not handling restraint 409, item 1, resonance(s) ' .7.HE1' (nmrStar names) not linked" rr_2lda 1
172 2 433 1 "Not handling restraint 433, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
173 2 440 1 "Not handling restraint 440, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
174 2 443 1 "Not handling restraint 443, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
175 2 444 1 "Not handling restraint 444, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
176 2 445 1 "Not handling restraint 445, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
177 2 446 1 "Not handling restraint 446, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
178 2 451 1 "Not handling restraint 451, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
179 2 453 1 "Not handling restraint 453, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_2lda
_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_2lda 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_2lda 1
2 1 . . . rr_2lda 1
3 1 . . . rr_2lda 1
4 1 . . . rr_2lda 1
5 1 . . . rr_2lda 1
6 1 . . . rr_2lda 1
7 1 . . . rr_2lda 1
8 1 . . . rr_2lda 1
9 1 . . . rr_2lda 1
10 1 . . . rr_2lda 1
11 1 . . . rr_2lda 1
12 1 . . . rr_2lda 1
13 1 . . . rr_2lda 1
14 1 . . . rr_2lda 1
15 1 . . . rr_2lda 1
16 1 . . . rr_2lda 1
17 1 . . . rr_2lda 1
18 1 . . . rr_2lda 1
19 1 . . . rr_2lda 1
20 1 . . . rr_2lda 1
21 1 . . . rr_2lda 1
22 1 . . . rr_2lda 1
23 1 . . . rr_2lda 1
24 1 . . . rr_2lda 1
25 1 2 . OR rr_2lda 1
25 2 . 3 . rr_2lda 1
25 3 . . . rr_2lda 1
26 1 2 . OR rr_2lda 1
26 2 . 3 . rr_2lda 1
26 3 . . . rr_2lda 1
27 1 2 . OR rr_2lda 1
27 2 . 3 . rr_2lda 1
27 3 . . . rr_2lda 1
28 1 2 . OR rr_2lda 1
28 2 . 3 . rr_2lda 1
28 3 . . . rr_2lda 1
29 1 2 . OR rr_2lda 1
29 2 . 3 . rr_2lda 1
29 3 . . . rr_2lda 1
30 1 . . . rr_2lda 1
31 1 . . . rr_2lda 1
32 1 . . . rr_2lda 1
33 1 2 . OR rr_2lda 1
33 2 . 3 . rr_2lda 1
33 3 . . . rr_2lda 1
34 1 . . . rr_2lda 1
35 1 . . . rr_2lda 1
36 1 . . . rr_2lda 1
37 1 . . . rr_2lda 1
38 1 2 . OR rr_2lda 1
38 2 . 3 . rr_2lda 1
38 3 . . . rr_2lda 1
39 1 . . . rr_2lda 1
40 1 . . . rr_2lda 1
41 1 . . . rr_2lda 1
42 1 . . . rr_2lda 1
43 1 . . . rr_2lda 1
44 1 . . . rr_2lda 1
45 1 . . . rr_2lda 1
46 1 . . . rr_2lda 1
47 1 . . . rr_2lda 1
48 1 . . . rr_2lda 1
49 1 . . . rr_2lda 1
50 1 . . . rr_2lda 1
51 1 . . . rr_2lda 1
52 1 . . . rr_2lda 1
53 1 . . . rr_2lda 1
54 1 . . . rr_2lda 1
55 1 . . . rr_2lda 1
56 1 . . . rr_2lda 1
57 1 . . . rr_2lda 1
58 1 . . . rr_2lda 1
59 1 . . . rr_2lda 1
60 1 2 . OR rr_2lda 1
60 2 . 3 . rr_2lda 1
60 3 . . . rr_2lda 1
61 1 2 . OR rr_2lda 1
61 2 . 3 . rr_2lda 1
61 3 . . . rr_2lda 1
62 1 . . . rr_2lda 1
63 1 . . . rr_2lda 1
64 1 2 . OR rr_2lda 1
64 2 . 3 . rr_2lda 1
64 3 . . . rr_2lda 1
65 1 2 . OR rr_2lda 1
65 2 . 3 . rr_2lda 1
65 3 . . . rr_2lda 1
66 1 . . . rr_2lda 1
67 1 . . . rr_2lda 1
68 1 . . . rr_2lda 1
69 1 . . . rr_2lda 1
70 1 . . . rr_2lda 1
71 1 . . . rr_2lda 1
72 1 . . . rr_2lda 1
73 1 . . . rr_2lda 1
74 1 . . . rr_2lda 1
75 1 . . . rr_2lda 1
76 1 . . . rr_2lda 1
77 1 . . . rr_2lda 1
78 1 . . . rr_2lda 1
79 1 . . . rr_2lda 1
80 1 . . . rr_2lda 1
81 1 . . . rr_2lda 1
82 1 . . . rr_2lda 1
83 1 . . . rr_2lda 1
84 1 . . . rr_2lda 1
85 1 . . . rr_2lda 1
86 1 . . . rr_2lda 1
87 1 . . . rr_2lda 1
88 1 . . . rr_2lda 1
89 1 . . . rr_2lda 1
90 1 . . . rr_2lda 1
91 1 . . . rr_2lda 1
92 1 . . . rr_2lda 1
93 1 . . . rr_2lda 1
94 1 . . . rr_2lda 1
95 1 . . . rr_2lda 1
96 1 . . . rr_2lda 1
97 1 . . . rr_2lda 1
98 1 . . . rr_2lda 1
99 1 . . . rr_2lda 1
100 1 . . . rr_2lda 1
101 1 . . . rr_2lda 1
102 1 . . . rr_2lda 1
103 1 . . . rr_2lda 1
104 1 . . . rr_2lda 1
105 1 . . . rr_2lda 1
106 1 . . . rr_2lda 1
107 1 . . . rr_2lda 1
108 1 . . . rr_2lda 1
109 1 . . . rr_2lda 1
110 1 . . . rr_2lda 1
111 1 . . . rr_2lda 1
112 1 . . . rr_2lda 1
113 1 . . . rr_2lda 1
114 1 . . . rr_2lda 1
115 1 2 . OR rr_2lda 1
115 2 . 3 . rr_2lda 1
115 3 . . . rr_2lda 1
116 1 2 . OR rr_2lda 1
116 2 . 3 . rr_2lda 1
116 3 . . . rr_2lda 1
117 1 2 . OR rr_2lda 1
117 2 . 3 . rr_2lda 1
117 3 . . . rr_2lda 1
118 1 2 . OR rr_2lda 1
118 2 . 3 . rr_2lda 1
118 3 . . . rr_2lda 1
119 1 . . . rr_2lda 1
120 1 . . . rr_2lda 1
121 1 2 . OR rr_2lda 1
121 2 . 3 . rr_2lda 1
121 3 . . . rr_2lda 1
122 1 2 . OR rr_2lda 1
122 2 . 3 . rr_2lda 1
122 3 . . . rr_2lda 1
123 1 . . . rr_2lda 1
124 1 . . . rr_2lda 1
125 1 . . . rr_2lda 1
126 1 . . . rr_2lda 1
127 1 . . . rr_2lda 1
128 1 . . . rr_2lda 1
129 1 . . . rr_2lda 1
130 1 . . . rr_2lda 1
131 1 . . . rr_2lda 1
132 1 . . . rr_2lda 1
133 1 . . . rr_2lda 1
134 1 . . . rr_2lda 1
135 1 . . . rr_2lda 1
136 1 . . . rr_2lda 1
137 1 . . . rr_2lda 1
138 1 . . . rr_2lda 1
139 1 . . . rr_2lda 1
140 1 . . . rr_2lda 1
141 1 . . . rr_2lda 1
142 1 . . . rr_2lda 1
143 1 . . . rr_2lda 1
144 1 . . . rr_2lda 1
145 1 . . . rr_2lda 1
146 1 . . . rr_2lda 1
147 1 . . . rr_2lda 1
148 1 . . . rr_2lda 1
149 1 . . . rr_2lda 1
150 1 . . . rr_2lda 1
151 1 . . . rr_2lda 1
152 1 2 . OR rr_2lda 1
152 2 . 3 . rr_2lda 1
152 3 . . . rr_2lda 1
153 1 . . . rr_2lda 1
154 1 . . . rr_2lda 1
155 1 . . . rr_2lda 1
156 1 . . . rr_2lda 1
157 1 . . . rr_2lda 1
158 1 . . . rr_2lda 1
159 1 . . . rr_2lda 1
160 1 . . . rr_2lda 1
161 1 . . . rr_2lda 1
162 1 2 . OR rr_2lda 1
162 2 . 3 . rr_2lda 1
162 3 . . . rr_2lda 1
163 1 2 . OR rr_2lda 1
163 2 . 3 . rr_2lda 1
163 3 . . . rr_2lda 1
164 1 . . . rr_2lda 1
165 1 . . . rr_2lda 1
166 1 2 . OR rr_2lda 1
166 2 . 3 . rr_2lda 1
166 3 . . . rr_2lda 1
167 1 . . . rr_2lda 1
168 1 . . . rr_2lda 1
169 1 2 . OR rr_2lda 1
169 2 . 3 . rr_2lda 1
169 3 . . . rr_2lda 1
170 1 . . . rr_2lda 1
171 1 2 . OR rr_2lda 1
171 2 . 3 . rr_2lda 1
171 3 . . . rr_2lda 1
172 1 2 . OR rr_2lda 1
172 2 . 3 . rr_2lda 1
172 3 . . . rr_2lda 1
173 1 . . . rr_2lda 1
174 1 . . . rr_2lda 1
175 1 . . . rr_2lda 1
176 1 . . . rr_2lda 1
177 1 . . . rr_2lda 1
178 1 . . . rr_2lda 1
179 1 . . . rr_2lda 1
180 1 . . . rr_2lda 1
181 1 . . . rr_2lda 1
182 1 . . . rr_2lda 1
183 1 . . . rr_2lda 1
184 1 . . . rr_2lda 1
185 1 . . . rr_2lda 1
186 1 . . . rr_2lda 1
187 1 . . . rr_2lda 1
188 1 . . . rr_2lda 1
189 1 2 . OR rr_2lda 1
189 2 . 3 . rr_2lda 1
189 3 . . . rr_2lda 1
190 1 2 . OR rr_2lda 1
190 2 . 3 . rr_2lda 1
190 3 . . . rr_2lda 1
191 1 2 . OR rr_2lda 1
191 2 . 3 . rr_2lda 1
191 3 . . . rr_2lda 1
192 1 . . . rr_2lda 1
193 1 . . . rr_2lda 1
194 1 . . . rr_2lda 1
195 1 . . . rr_2lda 1
196 1 2 . OR rr_2lda 1
196 2 . 3 . rr_2lda 1
196 3 . . . rr_2lda 1
197 1 . . . rr_2lda 1
198 1 . . . rr_2lda 1
199 1 . . . rr_2lda 1
200 1 . . . rr_2lda 1
201 1 . . . rr_2lda 1
202 1 . . . rr_2lda 1
203 1 . . . rr_2lda 1
204 1 . . . rr_2lda 1
205 1 . . . rr_2lda 1
206 1 . . . rr_2lda 1
207 1 . . . rr_2lda 1
208 1 . . . rr_2lda 1
209 1 . . . rr_2lda 1
210 1 . . . rr_2lda 1
211 1 . . . rr_2lda 1
212 1 . . . rr_2lda 1
213 1 . . . rr_2lda 1
214 1 . . . rr_2lda 1
215 1 . . . rr_2lda 1
216 1 . . . rr_2lda 1
217 1 . . . rr_2lda 1
218 1 . . . rr_2lda 1
219 1 . . . rr_2lda 1
220 1 . . . rr_2lda 1
221 1 . . . rr_2lda 1
222 1 . . . rr_2lda 1
223 1 . . . rr_2lda 1
224 1 . . . rr_2lda 1
225 1 . . . rr_2lda 1
226 1 2 . OR rr_2lda 1
226 2 . 3 . rr_2lda 1
226 3 . . . rr_2lda 1
227 1 2 . OR rr_2lda 1
227 2 . 3 . rr_2lda 1
227 3 . . . rr_2lda 1
228 1 2 . OR rr_2lda 1
228 2 . 3 . rr_2lda 1
228 3 . . . rr_2lda 1
229 1 2 . OR rr_2lda 1
229 2 . 3 . rr_2lda 1
229 3 . . . rr_2lda 1
230 1 2 . OR rr_2lda 1
230 2 . 3 . rr_2lda 1
230 3 . . . rr_2lda 1
231 1 . . . rr_2lda 1
232 1 . . . rr_2lda 1
233 1 . . . rr_2lda 1
234 1 . . . rr_2lda 1
235 1 . . . rr_2lda 1
236 1 . . . rr_2lda 1
237 1 . . . rr_2lda 1
238 1 . . . rr_2lda 1
239 1 . . . rr_2lda 1
240 1 2 . OR rr_2lda 1
240 2 . 3 . rr_2lda 1
240 3 . . . rr_2lda 1
241 1 . . . rr_2lda 1
242 1 . . . rr_2lda 1
243 1 . . . rr_2lda 1
244 1 . . . rr_2lda 1
245 1 2 . OR rr_2lda 1
245 2 . 3 . rr_2lda 1
245 3 . . . rr_2lda 1
246 1 . . . rr_2lda 1
247 1 . . . rr_2lda 1
248 1 . . . rr_2lda 1
249 1 . . . rr_2lda 1
250 1 2 . OR rr_2lda 1
250 2 . 3 . rr_2lda 1
250 3 . . . rr_2lda 1
251 1 . . . rr_2lda 1
252 1 . . . rr_2lda 1
253 1 . . . rr_2lda 1
254 1 . . . rr_2lda 1
255 1 . . . rr_2lda 1
256 1 . . . rr_2lda 1
257 1 . . . rr_2lda 1
258 1 . . . rr_2lda 1
259 1 2 . OR rr_2lda 1
259 2 . 3 . rr_2lda 1
259 3 . . . rr_2lda 1
260 1 . . . rr_2lda 1
261 1 . . . rr_2lda 1
262 1 . . . rr_2lda 1
263 1 . . . rr_2lda 1
264 1 . . . rr_2lda 1
265 1 . . . rr_2lda 1
266 1 . . . rr_2lda 1
267 1 2 . OR rr_2lda 1
267 2 . 3 . rr_2lda 1
267 3 . . . rr_2lda 1
268 1 2 . OR rr_2lda 1
268 2 . 3 . rr_2lda 1
268 3 . . . rr_2lda 1
269 1 . . . rr_2lda 1
270 1 . . . rr_2lda 1
271 1 . . . rr_2lda 1
272 1 . . . rr_2lda 1
273 1 . . . rr_2lda 1
274 1 . . . rr_2lda 1
275 1 . . . rr_2lda 1
276 1 . . . rr_2lda 1
277 1 . . . rr_2lda 1
278 1 . . . rr_2lda 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 2 2 HIS H H . . . . 1 . HN rr_2lda 1
1 1 . 2 . 1 1 2 2 HIS HA H . . . . 1 . HA rr_2lda 1
2 1 . 1 . 1 1 2 2 HIS H H . . . . 1 . HN rr_2lda 1
2 1 . 2 . 1 1 2 2 HIS HB3 H . . . . 1 . HB1 rr_2lda 1
3 1 . 1 . 1 1 2 2 HIS HA H . . . . 1 . HA rr_2lda 1
3 1 . 2 . 1 1 2 2 HIS HB3 H . . . . 1 . HB1 rr_2lda 1
4 1 . 1 . 1 1 2 2 HIS H H . . . . 1 . HN rr_2lda 1
4 1 . 2 . 1 1 2 2 HIS HB2 H . . . . 1 . HB2 rr_2lda 1
5 1 . 1 . 1 1 2 2 HIS HA H . . . . 1 . HA rr_2lda 1
5 1 . 2 . 1 1 2 2 HIS HB2 H . . . . 1 . HB2 rr_2lda 1
6 1 . 1 . 1 1 2 2 HIS HB3 H . . . . 1 . HB1 rr_2lda 1
6 1 . 2 . 1 1 2 2 HIS HB2 H . . . . 1 . HB2 rr_2lda 1
7 1 . 1 . 1 1 2 2 HIS HA H . . . . 1 . HA rr_2lda 1
7 1 . 2 . 1 1 2 2 HIS HD2 H . . . . 1 . HD2 rr_2lda 1
8 1 . 1 . 1 1 2 2 HIS HB3 H . . . . 1 . HB1 rr_2lda 1
8 1 . 2 . 1 1 2 2 HIS HD2 H . . . . 1 . HD2 rr_2lda 1
9 1 . 1 . 1 1 2 2 HIS HB2 H . . . . 1 . HB2 rr_2lda 1
9 1 . 2 . 1 1 2 2 HIS HD2 H . . . . 1 . HD2 rr_2lda 1
10 1 . 1 . 1 1 2 2 HIS HD2 H . . . . 1 . HD2 rr_2lda 1
10 1 . 2 . 1 1 2 2 HIS HE1 H . . . . 1 . HE1 rr_2lda 1
11 1 . 1 . 1 1 3 3 LYS H H . . . . 2 . HN rr_2lda 1
11 1 . 2 . 1 1 3 3 LYS HA H . . . . 2 . HA rr_2lda 1
12 1 . 1 . 1 1 3 3 LYS H H . . . . 2 . HN rr_2lda 1
12 1 . 2 . 1 1 3 3 LYS HB3 H . . . . 2 . HB1 rr_2lda 1
13 1 . 1 . 1 1 3 3 LYS HA H . . . . 2 . HA rr_2lda 1
13 1 . 2 . 1 1 3 3 LYS HB3 H . . . . 2 . HB1 rr_2lda 1
14 1 . 1 . 1 1 3 3 LYS H H . . . . 2 . HN rr_2lda 1
14 1 . 2 . 1 1 3 3 LYS HB2 H . . . . 2 . HB2 rr_2lda 1
15 1 . 1 . 1 1 3 3 LYS HA H . . . . 2 . HA rr_2lda 1
15 1 . 2 . 1 1 3 3 LYS HB2 H . . . . 2 . HB2 rr_2lda 1
16 1 . 1 . 1 1 3 3 LYS HB3 H . . . . 2 . HB1 rr_2lda 1
16 1 . 2 . 1 1 3 3 LYS HB2 H . . . . 2 . HB2 rr_2lda 1
17 1 . 1 . 1 1 3 3 LYS H H . . . . 2 . HN rr_2lda 1
17 1 . 2 . 1 1 3 3 LYS HG3 H . . . . 2 . HG1 rr_2lda 1
18 1 . 1 . 1 1 3 3 LYS HA H . . . . 2 . HA rr_2lda 1
18 1 . 2 . 1 1 3 3 LYS HG3 H . . . . 2 . HG1 rr_2lda 1
19 1 . 1 . 1 1 3 3 LYS HB3 H . . . . 2 . HB1 rr_2lda 1
19 1 . 2 . 1 1 3 3 LYS HG3 H . . . . 2 . HG1 rr_2lda 1
20 1 . 1 . 1 1 3 3 LYS HB2 H . . . . 2 . HB2 rr_2lda 1
20 1 . 2 . 1 1 3 3 LYS HG3 H . . . . 2 . HG1 rr_2lda 1
21 1 . 1 . 1 1 3 3 LYS H H . . . . 2 . HN rr_2lda 1
21 1 . 2 . 1 1 3 3 LYS HG2 H . . . . 2 . HG2 rr_2lda 1
22 1 . 1 . 1 1 3 3 LYS HA H . . . . 2 . HA rr_2lda 1
22 1 . 2 . 1 1 3 3 LYS HG2 H . . . . 2 . HG2 rr_2lda 1
23 1 . 1 . 1 1 3 3 LYS HB3 H . . . . 2 . HB1 rr_2lda 1
23 1 . 2 . 1 1 3 3 LYS HG2 H . . . . 2 . HG2 rr_2lda 1
24 1 . 1 . 1 1 3 3 LYS HB2 H . . . . 2 . HB2 rr_2lda 1
24 1 . 2 . 1 1 3 3 LYS HG2 H . . . . 2 . HG2 rr_2lda 1
25 2 . 1 . 1 1 3 3 LYS H H . . . . 2 . HN rr_2lda 1
25 2 . 2 . 1 1 3 3 LYS HD2 H . . . . 2 . HD# rr_2lda 1
25 3 . 1 . 1 1 3 3 LYS H H . . . . 2 . HN rr_2lda 1
25 3 . 2 . 1 1 3 3 LYS HD3 H . . . . 2 . HD# rr_2lda 1
26 2 . 1 . 1 1 3 3 LYS HA H . . . . 2 . HA rr_2lda 1
26 2 . 2 . 1 1 3 3 LYS HD2 H . . . . 2 . HD# rr_2lda 1
26 3 . 1 . 1 1 3 3 LYS HA H . . . . 2 . HA rr_2lda 1
26 3 . 2 . 1 1 3 3 LYS HD3 H . . . . 2 . HD# rr_2lda 1
27 2 . 1 . 1 1 3 3 LYS HB2 H . . . . 2 . HB2 rr_2lda 1
27 2 . 2 . 1 1 3 3 LYS HD2 H . . . . 2 . HD# rr_2lda 1
27 3 . 1 . 1 1 3 3 LYS HB2 H . . . . 2 . HB2 rr_2lda 1
27 3 . 2 . 1 1 3 3 LYS HD3 H . . . . 2 . HD# rr_2lda 1
28 2 . 1 . 1 1 3 3 LYS HG3 H . . . . 2 . HG1 rr_2lda 1
28 2 . 2 . 1 1 3 3 LYS HD2 H . . . . 2 . HD# rr_2lda 1
28 3 . 1 . 1 1 3 3 LYS HG3 H . . . . 2 . HG1 rr_2lda 1
28 3 . 2 . 1 1 3 3 LYS HD3 H . . . . 2 . HD# rr_2lda 1
29 2 . 1 . 1 1 3 3 LYS HG2 H . . . . 2 . HG2 rr_2lda 1
29 2 . 2 . 1 1 3 3 LYS HD2 H . . . . 2 . HD# rr_2lda 1
29 3 . 1 . 1 1 3 3 LYS HG2 H . . . . 2 . HG2 rr_2lda 1
29 3 . 2 . 1 1 3 3 LYS HD3 H . . . . 2 . HD# rr_2lda 1
30 1 . 1 . 1 1 3 3 LYS HB2 H . . . . 2 . HB2 rr_2lda 1
30 1 . 2 . 1 1 3 3 LYS HE3 H . . . . 2 . HE1 rr_2lda 1
31 1 . 1 . 1 1 3 3 LYS HG3 H . . . . 2 . HG1 rr_2lda 1
31 1 . 2 . 1 1 3 3 LYS HE3 H . . . . 2 . HE1 rr_2lda 1
32 1 . 1 . 1 1 3 3 LYS HG2 H . . . . 2 . HG2 rr_2lda 1
32 1 . 2 . 1 1 3 3 LYS HE3 H . . . . 2 . HE1 rr_2lda 1
33 2 . 1 . 1 1 3 3 LYS HD2 H . . . . 2 . HD# rr_2lda 1
33 2 . 2 . 1 1 3 3 LYS HE3 H . . . . 2 . HE1 rr_2lda 1
33 3 . 1 . 1 1 3 3 LYS HD3 H . . . . 2 . HD# rr_2lda 1
33 3 . 2 . 1 1 3 3 LYS HE3 H . . . . 2 . HE1 rr_2lda 1
34 1 . 1 . 1 1 3 3 LYS HB3 H . . . . 2 . HB1 rr_2lda 1
34 1 . 2 . 1 1 3 3 LYS HE2 H . . . . 2 . HE2 rr_2lda 1
35 1 . 1 . 1 1 3 3 LYS HB2 H . . . . 2 . HB2 rr_2lda 1
35 1 . 2 . 1 1 3 3 LYS HE2 H . . . . 2 . HE2 rr_2lda 1
36 1 . 1 . 1 1 3 3 LYS HG3 H . . . . 2 . HG1 rr_2lda 1
36 1 . 2 . 1 1 3 3 LYS HE2 H . . . . 2 . HE2 rr_2lda 1
37 1 . 1 . 1 1 3 3 LYS HG2 H . . . . 2 . HG2 rr_2lda 1
37 1 . 2 . 1 1 3 3 LYS HE2 H . . . . 2 . HE2 rr_2lda 1
38 2 . 1 . 1 1 3 3 LYS HD2 H . . . . 2 . HD# rr_2lda 1
38 2 . 2 . 1 1 3 3 LYS HE2 H . . . . 2 . HE2 rr_2lda 1
38 3 . 1 . 1 1 3 3 LYS HD3 H . . . . 2 . HD# rr_2lda 1
38 3 . 2 . 1 1 3 3 LYS HE2 H . . . . 2 . HE2 rr_2lda 1
39 1 . 1 . 1 1 3 3 LYS HE3 H . . . . 2 . HE1 rr_2lda 1
39 1 . 2 . 1 1 3 3 LYS HE2 H . . . . 2 . HE2 rr_2lda 1
40 1 . 1 . 1 1 5 5 LEU H H . . . . 4 . HN rr_2lda 1
40 1 . 2 . 1 1 5 5 LEU HA H . . . . 4 . HA rr_2lda 1
41 1 . 1 . 1 1 5 5 LEU H H . . . . 4 . HN rr_2lda 1
41 1 . 2 . 1 1 5 5 LEU HB3 H . . . . 4 . HB1 rr_2lda 1
42 1 . 1 . 1 1 5 5 LEU HA H . . . . 4 . HA rr_2lda 1
42 1 . 2 . 1 1 5 5 LEU HB3 H . . . . 4 . HB1 rr_2lda 1
43 1 . 1 . 1 1 5 5 LEU H H . . . . 4 . HN rr_2lda 1
43 1 . 2 . 1 1 5 5 LEU HB2 H . . . . 4 . HB2 rr_2lda 1
44 1 . 1 . 1 1 5 5 LEU HA H . . . . 4 . HA rr_2lda 1
44 1 . 2 . 1 1 5 5 LEU HB2 H . . . . 4 . HB2 rr_2lda 1
45 1 . 1 . 1 1 5 5 LEU HB3 H . . . . 4 . HB1 rr_2lda 1
45 1 . 2 . 1 1 5 5 LEU HB2 H . . . . 4 . HB2 rr_2lda 1
46 1 . 1 . 1 1 5 5 LEU H H . . . . 4 . HN rr_2lda 1
46 1 . 2 . 1 1 5 5 LEU HG H . . . . 4 . HG rr_2lda 1
47 1 . 1 . 1 1 5 5 LEU HA H . . . . 4 . HA rr_2lda 1
47 1 . 2 . 1 1 5 5 LEU HG H . . . . 4 . HG rr_2lda 1
48 1 . 1 . 1 1 5 5 LEU HB2 H . . . . 4 . HB2 rr_2lda 1
48 1 . 2 . 1 1 5 5 LEU HG H . . . . 4 . HG rr_2lda 1
49 1 . 1 . 1 1 5 5 LEU H H . . . . 4 . HN rr_2lda 1
49 1 . 2 . 1 1 5 5 LEU MD1 H . . . . 4 . HD1# rr_2lda 1
50 1 . 1 . 1 1 5 5 LEU HA H . . . . 4 . HA rr_2lda 1
50 1 . 2 . 1 1 5 5 LEU MD1 H . . . . 4 . HD1# rr_2lda 1
51 1 . 1 . 1 1 5 5 LEU HB3 H . . . . 4 . HB1 rr_2lda 1
51 1 . 2 . 1 1 5 5 LEU MD1 H . . . . 4 . HD1# rr_2lda 1
52 1 . 1 . 1 1 5 5 LEU HB2 H . . . . 4 . HB2 rr_2lda 1
52 1 . 2 . 1 1 5 5 LEU MD1 H . . . . 4 . HD1# rr_2lda 1
53 1 . 1 . 1 1 5 5 LEU HG H . . . . 4 . HG rr_2lda 1
53 1 . 2 . 1 1 5 5 LEU MD1 H . . . . 4 . HD1# rr_2lda 1
54 1 . 1 . 1 1 5 5 LEU H H . . . . 4 . HN rr_2lda 1
54 1 . 2 . 1 1 5 5 LEU MD2 H . . . . 4 . HD2# rr_2lda 1
55 1 . 1 . 1 1 5 5 LEU HA H . . . . 4 . HA rr_2lda 1
55 1 . 2 . 1 1 5 5 LEU MD2 H . . . . 4 . HD2# rr_2lda 1
56 1 . 1 . 1 1 5 5 LEU HB3 H . . . . 4 . HB1 rr_2lda 1
56 1 . 2 . 1 1 5 5 LEU MD2 H . . . . 4 . HD2# rr_2lda 1
57 1 . 1 . 1 1 5 5 LEU HB2 H . . . . 4 . HB2 rr_2lda 1
57 1 . 2 . 1 1 5 5 LEU MD2 H . . . . 4 . HD2# rr_2lda 1
58 1 . 1 . 1 1 5 5 LEU HG H . . . . 4 . HG rr_2lda 1
58 1 . 2 . 1 1 5 5 LEU MD2 H . . . . 4 . HD2# rr_2lda 1
59 1 . 1 . 1 1 6 6 HIS H H . . . . 5 . HN rr_2lda 1
59 1 . 2 . 1 1 6 6 HIS HA H . . . . 5 . HA rr_2lda 1
60 2 . 1 . 1 1 6 6 HIS H H . . . . 5 . HN rr_2lda 1
60 2 . 2 . 1 1 6 6 HIS HB2 H . . . . 5 . HB# rr_2lda 1
60 3 . 1 . 1 1 6 6 HIS H H . . . . 5 . HN rr_2lda 1
60 3 . 2 . 1 1 6 6 HIS HB3 H . . . . 5 . HB# rr_2lda 1
61 2 . 1 . 1 1 6 6 HIS HA H . . . . 5 . HA rr_2lda 1
61 2 . 2 . 1 1 6 6 HIS HB2 H . . . . 5 . HB# rr_2lda 1
61 3 . 1 . 1 1 6 6 HIS HA H . . . . 5 . HA rr_2lda 1
61 3 . 2 . 1 1 6 6 HIS HB3 H . . . . 5 . HB# rr_2lda 1
62 1 . 1 . 1 1 6 6 HIS H H . . . . 5 . HN rr_2lda 1
62 1 . 2 . 1 1 6 6 HIS HD2 H . . . . 5 . HD2 rr_2lda 1
63 1 . 1 . 1 1 6 6 HIS HA H . . . . 5 . HA rr_2lda 1
63 1 . 2 . 1 1 6 6 HIS HD2 H . . . . 5 . HD2 rr_2lda 1
64 2 . 1 . 1 1 6 6 HIS HB2 H . . . . 5 . HB# rr_2lda 1
64 2 . 2 . 1 1 6 6 HIS HD2 H . . . . 5 . HD2 rr_2lda 1
64 3 . 1 . 1 1 6 6 HIS HB3 H . . . . 5 . HB# rr_2lda 1
64 3 . 2 . 1 1 6 6 HIS HD2 H . . . . 5 . HD2 rr_2lda 1
65 2 . 1 . 1 1 6 6 HIS HB2 H . . . . 5 . HB# rr_2lda 1
65 2 . 2 . 1 1 6 6 HIS HE1 H . . . . 5 . HE1 rr_2lda 1
65 3 . 1 . 1 1 6 6 HIS HB3 H . . . . 5 . HB# rr_2lda 1
65 3 . 2 . 1 1 6 6 HIS HE1 H . . . . 5 . HE1 rr_2lda 1
66 1 . 1 . 1 1 6 6 HIS HD2 H . . . . 5 . HD2 rr_2lda 1
66 1 . 2 . 1 1 6 6 HIS HE1 H . . . . 5 . HE1 rr_2lda 1
67 1 . 1 . 1 1 7 7 GLN H H . . . . 6 . HN rr_2lda 1
67 1 . 2 . 1 1 7 7 GLN HA H . . . . 6 . HA rr_2lda 1
68 1 . 1 . 1 1 7 7 GLN H H . . . . 6 . HN rr_2lda 1
68 1 . 2 . 1 1 7 7 GLN HB3 H . . . . 6 . HB1 rr_2lda 1
69 1 . 1 . 1 1 7 7 GLN HA H . . . . 6 . HA rr_2lda 1
69 1 . 2 . 1 1 7 7 GLN HB3 H . . . . 6 . HB1 rr_2lda 1
70 1 . 1 . 1 1 7 7 GLN H H . . . . 6 . HN rr_2lda 1
70 1 . 2 . 1 1 7 7 GLN HB2 H . . . . 6 . HB2 rr_2lda 1
71 1 . 1 . 1 1 7 7 GLN HA H . . . . 6 . HA rr_2lda 1
71 1 . 2 . 1 1 7 7 GLN HB2 H . . . . 6 . HB2 rr_2lda 1
72 1 . 1 . 1 1 7 7 GLN HB3 H . . . . 6 . HB1 rr_2lda 1
72 1 . 2 . 1 1 7 7 GLN HB2 H . . . . 6 . HB2 rr_2lda 1
73 1 . 1 . 1 1 7 7 GLN H H . . . . 6 . HN rr_2lda 1
73 1 . 2 . 1 1 7 7 GLN HG3 H . . . . 6 . HG1 rr_2lda 1
74 1 . 1 . 1 1 7 7 GLN HA H . . . . 6 . HA rr_2lda 1
74 1 . 2 . 1 1 7 7 GLN HG3 H . . . . 6 . HG1 rr_2lda 1
75 1 . 1 . 1 1 7 7 GLN HB3 H . . . . 6 . HB1 rr_2lda 1
75 1 . 2 . 1 1 7 7 GLN HG3 H . . . . 6 . HG1 rr_2lda 1
76 1 . 1 . 1 1 7 7 GLN H H . . . . 6 . HN rr_2lda 1
76 1 . 2 . 1 1 7 7 GLN HG2 H . . . . 6 . HG2 rr_2lda 1
77 1 . 1 . 1 1 7 7 GLN HA H . . . . 6 . HA rr_2lda 1
77 1 . 2 . 1 1 7 7 GLN HG2 H . . . . 6 . HG2 rr_2lda 1
78 1 . 1 . 1 1 7 7 GLN HB3 H . . . . 6 . HB1 rr_2lda 1
78 1 . 2 . 1 1 7 7 GLN HG2 H . . . . 6 . HG2 rr_2lda 1
79 1 . 1 . 1 1 7 7 GLN HB2 H . . . . 6 . HB2 rr_2lda 1
79 1 . 2 . 1 1 7 7 GLN HG2 H . . . . 6 . HG2 rr_2lda 1
80 1 . 1 . 1 1 7 7 GLN HB3 H . . . . 6 . HB1 rr_2lda 1
80 1 . 2 . 1 1 7 7 GLN HE21 H . . . . 6 . HE21 rr_2lda 1
81 1 . 1 . 1 1 7 7 GLN HB2 H . . . . 6 . HB2 rr_2lda 1
81 1 . 2 . 1 1 7 7 GLN HE21 H . . . . 6 . HE21 rr_2lda 1
82 1 . 1 . 1 1 7 7 GLN HG3 H . . . . 6 . HG1 rr_2lda 1
82 1 . 2 . 1 1 7 7 GLN HE21 H . . . . 6 . HE21 rr_2lda 1
83 1 . 1 . 1 1 7 7 GLN HG2 H . . . . 6 . HG2 rr_2lda 1
83 1 . 2 . 1 1 7 7 GLN HE21 H . . . . 6 . HE21 rr_2lda 1
84 1 . 1 . 1 1 7 7 GLN HB3 H . . . . 6 . HB1 rr_2lda 1
84 1 . 2 . 1 1 7 7 GLN HE22 H . . . . 6 . HE22 rr_2lda 1
85 1 . 1 . 1 1 7 7 GLN HB2 H . . . . 6 . HB2 rr_2lda 1
85 1 . 2 . 1 1 7 7 GLN HE22 H . . . . 6 . HE22 rr_2lda 1
86 1 . 1 . 1 1 7 7 GLN HG3 H . . . . 6 . HG1 rr_2lda 1
86 1 . 2 . 1 1 7 7 GLN HE22 H . . . . 6 . HE22 rr_2lda 1
87 1 . 1 . 1 1 7 7 GLN HG2 H . . . . 6 . HG2 rr_2lda 1
87 1 . 2 . 1 1 7 7 GLN HE22 H . . . . 6 . HE22 rr_2lda 1
88 1 . 1 . 1 1 7 7 GLN HE21 H . . . . 6 . HE21 rr_2lda 1
88 1 . 2 . 1 1 7 7 GLN HE22 H . . . . 6 . HE22 rr_2lda 1
89 1 . 1 . 1 1 9 9 LEU H H . . . . 8 . HN rr_2lda 1
89 1 . 2 . 1 1 9 9 LEU HA H . . . . 8 . HA rr_2lda 1
90 1 . 1 . 1 1 9 9 LEU H H . . . . 8 . HN rr_2lda 1
90 1 . 2 . 1 1 9 9 LEU HB3 H . . . . 8 . HB1 rr_2lda 1
91 1 . 1 . 1 1 9 9 LEU HA H . . . . 8 . HA rr_2lda 1
91 1 . 2 . 1 1 9 9 LEU HB3 H . . . . 8 . HB1 rr_2lda 1
92 1 . 1 . 1 1 9 9 LEU H H . . . . 8 . HN rr_2lda 1
92 1 . 2 . 1 1 9 9 LEU HB2 H . . . . 8 . HB2 rr_2lda 1
93 1 . 1 . 1 1 9 9 LEU HA H . . . . 8 . HA rr_2lda 1
93 1 . 2 . 1 1 9 9 LEU HB2 H . . . . 8 . HB2 rr_2lda 1
94 1 . 1 . 1 1 9 9 LEU HB3 H . . . . 8 . HB1 rr_2lda 1
94 1 . 2 . 1 1 9 9 LEU HB2 H . . . . 8 . HB2 rr_2lda 1
95 1 . 1 . 1 1 9 9 LEU H H . . . . 8 . HN rr_2lda 1
95 1 . 2 . 1 1 9 9 LEU HG H . . . . 8 . HG rr_2lda 1
96 1 . 1 . 1 1 9 9 LEU HA H . . . . 8 . HA rr_2lda 1
96 1 . 2 . 1 1 9 9 LEU HG H . . . . 8 . HG rr_2lda 1
97 1 . 1 . 1 1 9 9 LEU HB3 H . . . . 8 . HB1 rr_2lda 1
97 1 . 2 . 1 1 9 9 LEU HG H . . . . 8 . HG rr_2lda 1
98 1 . 1 . 1 1 9 9 LEU H H . . . . 8 . HN rr_2lda 1
98 1 . 2 . 1 1 9 9 LEU MD1 H . . . . 8 . HD1# rr_2lda 1
99 1 . 1 . 1 1 9 9 LEU HA H . . . . 8 . HA rr_2lda 1
99 1 . 2 . 1 1 9 9 LEU MD1 H . . . . 8 . HD1# rr_2lda 1
100 1 . 1 . 1 1 9 9 LEU HB3 H . . . . 8 . HB1 rr_2lda 1
100 1 . 2 . 1 1 9 9 LEU MD1 H . . . . 8 . HD1# rr_2lda 1
101 1 . 1 . 1 1 9 9 LEU HB2 H . . . . 8 . HB2 rr_2lda 1
101 1 . 2 . 1 1 9 9 LEU MD1 H . . . . 8 . HD1# rr_2lda 1
102 1 . 1 . 1 1 9 9 LEU HG H . . . . 8 . HG rr_2lda 1
102 1 . 2 . 1 1 9 9 LEU MD1 H . . . . 8 . HD1# rr_2lda 1
103 1 . 1 . 1 1 9 9 LEU H H . . . . 8 . HN rr_2lda 1
103 1 . 2 . 1 1 9 9 LEU MD2 H . . . . 8 . HD2# rr_2lda 1
104 1 . 1 . 1 1 9 9 LEU HA H . . . . 8 . HA rr_2lda 1
104 1 . 2 . 1 1 9 9 LEU MD2 H . . . . 8 . HD2# rr_2lda 1
105 1 . 1 . 1 1 9 9 LEU HB3 H . . . . 8 . HB1 rr_2lda 1
105 1 . 2 . 1 1 9 9 LEU MD2 H . . . . 8 . HD2# rr_2lda 1
106 1 . 1 . 1 1 9 9 LEU HB2 H . . . . 8 . HB2 rr_2lda 1
106 1 . 2 . 1 1 9 9 LEU MD2 H . . . . 8 . HD2# rr_2lda 1
107 1 . 1 . 1 1 9 9 LEU HG H . . . . 8 . HG rr_2lda 1
107 1 . 2 . 1 1 9 9 LEU MD2 H . . . . 8 . HD2# rr_2lda 1
108 1 . 1 . 1 1 9 9 LEU MD1 H . . . . 8 . HD1# rr_2lda 1
108 1 . 2 . 1 1 9 9 LEU MD2 H . . . . 8 . HD2# rr_2lda 1
109 1 . 1 . 1 1 10 10 GLN H H . . . . 9 . HN rr_2lda 1
109 1 . 2 . 1 1 10 10 GLN HA H . . . . 9 . HA rr_2lda 1
110 1 . 1 . 1 1 10 10 GLN H H . . . . 9 . HN rr_2lda 1
110 1 . 2 . 1 1 10 10 GLN HB3 H . . . . 9 . HB1 rr_2lda 1
111 1 . 1 . 1 1 10 10 GLN HA H . . . . 9 . HA rr_2lda 1
111 1 . 2 . 1 1 10 10 GLN HB3 H . . . . 9 . HB1 rr_2lda 1
112 1 . 1 . 1 1 10 10 GLN H H . . . . 9 . HN rr_2lda 1
112 1 . 2 . 1 1 10 10 GLN HB2 H . . . . 9 . HB2 rr_2lda 1
113 1 . 1 . 1 1 10 10 GLN HA H . . . . 9 . HA rr_2lda 1
113 1 . 2 . 1 1 10 10 GLN HB2 H . . . . 9 . HB2 rr_2lda 1
114 1 . 1 . 1 1 10 10 GLN HB3 H . . . . 9 . HB1 rr_2lda 1
114 1 . 2 . 1 1 10 10 GLN HB2 H . . . . 9 . HB2 rr_2lda 1
115 2 . 1 . 1 1 10 10 GLN H H . . . . 9 . HN rr_2lda 1
115 2 . 2 . 1 1 10 10 GLN HG2 H . . . . 9 . HG# rr_2lda 1
115 3 . 1 . 1 1 10 10 GLN H H . . . . 9 . HN rr_2lda 1
115 3 . 2 . 1 1 10 10 GLN HG3 H . . . . 9 . HG# rr_2lda 1
116 2 . 1 . 1 1 10 10 GLN HA H . . . . 9 . HA rr_2lda 1
116 2 . 2 . 1 1 10 10 GLN HG2 H . . . . 9 . HG# rr_2lda 1
116 3 . 1 . 1 1 10 10 GLN HA H . . . . 9 . HA rr_2lda 1
116 3 . 2 . 1 1 10 10 GLN HG3 H . . . . 9 . HG# rr_2lda 1
117 2 . 1 . 1 1 10 10 GLN HB3 H . . . . 9 . HB1 rr_2lda 1
117 2 . 2 . 1 1 10 10 GLN HG2 H . . . . 9 . HG# rr_2lda 1
117 3 . 1 . 1 1 10 10 GLN HB3 H . . . . 9 . HB1 rr_2lda 1
117 3 . 2 . 1 1 10 10 GLN HG3 H . . . . 9 . HG# rr_2lda 1
118 2 . 1 . 1 1 10 10 GLN HB2 H . . . . 9 . HB2 rr_2lda 1
118 2 . 2 . 1 1 10 10 GLN HG2 H . . . . 9 . HG# rr_2lda 1
118 3 . 1 . 1 1 10 10 GLN HB2 H . . . . 9 . HB2 rr_2lda 1
118 3 . 2 . 1 1 10 10 GLN HG3 H . . . . 9 . HG# rr_2lda 1
119 1 . 1 . 1 1 10 10 GLN HB3 H . . . . 9 . HB1 rr_2lda 1
119 1 . 2 . 1 1 10 10 GLN HE21 H . . . . 9 . HE21 rr_2lda 1
120 1 . 1 . 1 1 10 10 GLN HB2 H . . . . 9 . HB2 rr_2lda 1
120 1 . 2 . 1 1 10 10 GLN HE21 H . . . . 9 . HE21 rr_2lda 1
121 2 . 1 . 1 1 10 10 GLN HG2 H . . . . 9 . HG# rr_2lda 1
121 2 . 2 . 1 1 10 10 GLN HE21 H . . . . 9 . HE21 rr_2lda 1
121 3 . 1 . 1 1 10 10 GLN HG3 H . . . . 9 . HG# rr_2lda 1
121 3 . 2 . 1 1 10 10 GLN HE21 H . . . . 9 . HE21 rr_2lda 1
122 2 . 1 . 1 1 10 10 GLN HG2 H . . . . 9 . HG# rr_2lda 1
122 2 . 2 . 1 1 10 10 GLN HE22 H . . . . 9 . HE22 rr_2lda 1
122 3 . 1 . 1 1 10 10 GLN HG3 H . . . . 9 . HG# rr_2lda 1
122 3 . 2 . 1 1 10 10 GLN HE22 H . . . . 9 . HE22 rr_2lda 1
123 1 . 1 . 1 1 10 10 GLN HE21 H . . . . 9 . HE21 rr_2lda 1
123 1 . 2 . 1 1 10 10 GLN HE22 H . . . . 9 . HE22 rr_2lda 1
124 1 . 1 . 1 1 11 11 ASP H H . . . . 10 . HN rr_2lda 1
124 1 . 2 . 1 1 11 11 ASP HA H . . . . 10 . HA rr_2lda 1
125 1 . 1 . 1 1 11 11 ASP H H . . . . 10 . HN rr_2lda 1
125 1 . 2 . 1 1 11 11 ASP HB3 H . . . . 10 . HB1 rr_2lda 1
126 1 . 1 . 1 1 11 11 ASP HA H . . . . 10 . HA rr_2lda 1
126 1 . 2 . 1 1 11 11 ASP HB3 H . . . . 10 . HB1 rr_2lda 1
127 1 . 1 . 1 1 11 11 ASP H H . . . . 10 . HN rr_2lda 1
127 1 . 2 . 1 1 11 11 ASP HB2 H . . . . 10 . HB2 rr_2lda 1
128 1 . 1 . 1 1 11 11 ASP HA H . . . . 10 . HA rr_2lda 1
128 1 . 2 . 1 1 11 11 ASP HB2 H . . . . 10 . HB2 rr_2lda 1
129 1 . 1 . 1 1 11 11 ASP HB3 H . . . . 10 . HB1 rr_2lda 1
129 1 . 2 . 1 1 11 11 ASP HB2 H . . . . 10 . HB2 rr_2lda 1
130 1 . 1 . 1 1 12 12 SER H H . . . . 11 . HN rr_2lda 1
130 1 . 2 . 1 1 12 12 SER HA H . . . . 11 . HA rr_2lda 1
131 1 . 1 . 1 1 12 12 SER H H . . . . 11 . HN rr_2lda 1
131 1 . 2 . 1 1 12 12 SER HB3 H . . . . 11 . HB1 rr_2lda 1
132 1 . 1 . 1 1 12 12 SER HA H . . . . 11 . HA rr_2lda 1
132 1 . 2 . 1 1 12 12 SER HB3 H . . . . 11 . HB1 rr_2lda 1
133 1 . 1 . 1 1 12 12 SER H H . . . . 11 . HN rr_2lda 1
133 1 . 2 . 1 1 12 12 SER HB2 H . . . . 11 . HB2 rr_2lda 1
134 1 . 1 . 1 1 12 12 SER HA H . . . . 11 . HA rr_2lda 1
134 1 . 2 . 1 1 12 12 SER HB2 H . . . . 11 . HB2 rr_2lda 1
135 1 . 1 . 1 1 12 12 SER HB3 H . . . . 11 . HB1 rr_2lda 1
135 1 . 2 . 1 1 12 12 SER HB2 H . . . . 11 . HB2 rr_2lda 1
136 1 . 1 . 1 1 13 13 NH2 HN1 H . . . . 12 . HN1 rr_2lda 1
136 1 . 2 . 1 1 13 13 NH2 HN2 H . . . . 12 . HN2 rr_2lda 1
137 1 . 1 . 1 1 1 1 ACE H* H . . . . 0 . HB# rr_2lda 1
137 1 . 2 . 1 1 2 2 HIS H H . . . . 1 . HN rr_2lda 1
138 1 . 1 . 1 1 1 1 ACE H* H . . . . 0 . HB# rr_2lda 1
138 1 . 2 . 1 1 2 2 HIS HA H . . . . 1 . HA rr_2lda 1
139 1 . 1 . 1 1 1 1 ACE H* H . . . . 0 . HB# rr_2lda 1
139 1 . 2 . 1 1 2 2 HIS HB3 H . . . . 1 . HB1 rr_2lda 1
140 1 . 1 . 1 1 1 1 ACE H* H . . . . 0 . HB# rr_2lda 1
140 1 . 2 . 1 1 2 2 HIS HB2 H . . . . 1 . HB2 rr_2lda 1
141 1 . 1 . 1 1 2 2 HIS HA H . . . . 1 . HA rr_2lda 1
141 1 . 2 . 1 1 3 3 LYS H H . . . . 2 . HN rr_2lda 1
142 1 . 1 . 1 1 2 2 HIS HB3 H . . . . 1 . HB1 rr_2lda 1
142 1 . 2 . 1 1 3 3 LYS H H . . . . 2 . HN rr_2lda 1
143 1 . 1 . 1 1 2 2 HIS HB2 H . . . . 1 . HB2 rr_2lda 1
143 1 . 2 . 1 1 3 3 LYS H H . . . . 2 . HN rr_2lda 1
144 1 . 1 . 1 1 2 2 HIS HA H . . . . 1 . HA rr_2lda 1
144 1 . 2 . 1 1 3 3 LYS HA H . . . . 2 . HA rr_2lda 1
145 1 . 1 . 1 1 2 2 HIS HB3 H . . . . 1 . HB1 rr_2lda 1
145 1 . 2 . 1 1 3 3 LYS HA H . . . . 2 . HA rr_2lda 1
146 1 . 1 . 1 1 2 2 HIS HB3 H . . . . 1 . HB1 rr_2lda 1
146 1 . 2 . 1 1 3 3 LYS HG2 H . . . . 2 . HG2 rr_2lda 1
147 1 . 1 . 1 1 3 3 LYS H H . . . . 2 . HN rr_2lda 1
147 1 . 2 . 1 1 4 4 Mk8 HN H . . . . 3 . HN rr_2lda 1
148 1 . 1 . 1 1 3 3 LYS HA H . . . . 2 . HA rr_2lda 1
148 1 . 2 . 1 1 4 4 Mk8 HN H . . . . 3 . HN rr_2lda 1
149 1 . 1 . 1 1 3 3 LYS HB3 H . . . . 2 . HB1 rr_2lda 1
149 1 . 2 . 1 1 4 4 Mk8 HN H . . . . 3 . HN rr_2lda 1
150 1 . 1 . 1 1 3 3 LYS HB2 H . . . . 2 . HB2 rr_2lda 1
150 1 . 2 . 1 1 4 4 Mk8 HN H . . . . 3 . HN rr_2lda 1
151 1 . 1 . 1 1 3 3 LYS HG3 H . . . . 2 . HG1 rr_2lda 1
151 1 . 2 . 1 1 4 4 Mk8 HN H . . . . 3 . HN rr_2lda 1
152 2 . 1 . 1 1 3 3 LYS HD2 H . . . . 2 . HD# rr_2lda 1
152 2 . 2 . 1 1 4 4 Mk8 HN H . . . . 3 . HN rr_2lda 1
152 3 . 1 . 1 1 3 3 LYS HD3 H . . . . 2 . HD# rr_2lda 1
152 3 . 2 . 1 1 4 4 Mk8 HN H . . . . 3 . HN rr_2lda 1
153 1 . 1 . 1 1 4 4 Mk8 HN H . . . . 3 . HN rr_2lda 1
153 1 . 2 . 1 1 5 5 LEU H H . . . . 4 . HN rr_2lda 1
154 1 . 1 . 1 1 5 5 LEU HA H . . . . 4 . HA rr_2lda 1
154 1 . 2 . 1 1 6 6 HIS H H . . . . 5 . HN rr_2lda 1
155 1 . 1 . 1 1 5 5 LEU HB3 H . . . . 4 . HB1 rr_2lda 1
155 1 . 2 . 1 1 6 6 HIS H H . . . . 5 . HN rr_2lda 1
156 1 . 1 . 1 1 5 5 LEU HB2 H . . . . 4 . HB2 rr_2lda 1
156 1 . 2 . 1 1 6 6 HIS H H . . . . 5 . HN rr_2lda 1
157 1 . 1 . 1 1 5 5 LEU MD1 H . . . . 4 . HD1# rr_2lda 1
157 1 . 2 . 1 1 6 6 HIS H H . . . . 5 . HN rr_2lda 1
158 1 . 1 . 1 1 5 5 LEU MD2 H . . . . 4 . HD2# rr_2lda 1
158 1 . 2 . 1 1 6 6 HIS H H . . . . 5 . HN rr_2lda 1
159 1 . 1 . 1 1 5 5 LEU HA H . . . . 4 . HA rr_2lda 1
159 1 . 2 . 1 1 6 6 HIS HA H . . . . 5 . HA rr_2lda 1
160 1 . 1 . 1 1 5 5 LEU HB3 H . . . . 4 . HB1 rr_2lda 1
160 1 . 2 . 1 1 6 6 HIS HA H . . . . 5 . HA rr_2lda 1
161 1 . 1 . 1 1 5 5 LEU MD2 H . . . . 4 . HD2# rr_2lda 1
161 1 . 2 . 1 1 6 6 HIS HA H . . . . 5 . HA rr_2lda 1
162 2 . 1 . 1 1 5 5 LEU H H . . . . 4 . HN rr_2lda 1
162 2 . 2 . 1 1 6 6 HIS HB2 H . . . . 5 . HB# rr_2lda 1
162 3 . 1 . 1 1 5 5 LEU H H . . . . 4 . HN rr_2lda 1
162 3 . 2 . 1 1 6 6 HIS HB3 H . . . . 5 . HB# rr_2lda 1
163 2 . 1 . 1 1 5 5 LEU HB3 H . . . . 4 . HB1 rr_2lda 1
163 2 . 2 . 1 1 6 6 HIS HB2 H . . . . 5 . HB# rr_2lda 1
163 3 . 1 . 1 1 5 5 LEU HB3 H . . . . 4 . HB1 rr_2lda 1
163 3 . 2 . 1 1 6 6 HIS HB3 H . . . . 5 . HB# rr_2lda 1
164 1 . 1 . 1 1 6 6 HIS H H . . . . 5 . HN rr_2lda 1
164 1 . 2 . 1 1 7 7 GLN H H . . . . 6 . HN rr_2lda 1
165 1 . 1 . 1 1 6 6 HIS HA H . . . . 5 . HA rr_2lda 1
165 1 . 2 . 1 1 7 7 GLN H H . . . . 6 . HN rr_2lda 1
166 2 . 1 . 1 1 6 6 HIS HB2 H . . . . 5 . HB# rr_2lda 1
166 2 . 2 . 1 1 7 7 GLN H H . . . . 6 . HN rr_2lda 1
166 3 . 1 . 1 1 6 6 HIS HB3 H . . . . 5 . HB# rr_2lda 1
166 3 . 2 . 1 1 7 7 GLN H H . . . . 6 . HN rr_2lda 1
167 1 . 1 . 1 1 6 6 HIS HD2 H . . . . 5 . HD2 rr_2lda 1
167 1 . 2 . 1 1 7 7 GLN H H . . . . 6 . HN rr_2lda 1
168 1 . 1 . 1 1 6 6 HIS HA H . . . . 5 . HA rr_2lda 1
168 1 . 2 . 1 1 7 7 GLN HA H . . . . 6 . HA rr_2lda 1
169 2 . 1 . 1 1 6 6 HIS HB2 H . . . . 5 . HB# rr_2lda 1
169 2 . 2 . 1 1 7 7 GLN HA H . . . . 6 . HA rr_2lda 1
169 3 . 1 . 1 1 6 6 HIS HB3 H . . . . 5 . HB# rr_2lda 1
169 3 . 2 . 1 1 7 7 GLN HA H . . . . 6 . HA rr_2lda 1
170 1 . 1 . 1 1 6 6 HIS H H . . . . 5 . HN rr_2lda 1
170 1 . 2 . 1 1 7 7 GLN HB2 H . . . . 6 . HB2 rr_2lda 1
171 2 . 1 . 1 1 6 6 HIS HB2 H . . . . 5 . HB# rr_2lda 1
171 2 . 2 . 1 1 7 7 GLN HB2 H . . . . 6 . HB2 rr_2lda 1
171 3 . 1 . 1 1 6 6 HIS HB3 H . . . . 5 . HB# rr_2lda 1
171 3 . 2 . 1 1 7 7 GLN HB2 H . . . . 6 . HB2 rr_2lda 1
172 2 . 1 . 1 1 6 6 HIS HB2 H . . . . 5 . HB# rr_2lda 1
172 2 . 2 . 1 1 7 7 GLN HG2 H . . . . 6 . HG2 rr_2lda 1
172 3 . 1 . 1 1 6 6 HIS HB3 H . . . . 5 . HB# rr_2lda 1
172 3 . 2 . 1 1 7 7 GLN HG2 H . . . . 6 . HG2 rr_2lda 1
173 1 . 1 . 1 1 7 7 GLN H H . . . . 6 . HN rr_2lda 1
173 1 . 2 . 1 1 8 8 Mk8 HN H . . . . 7 . HN rr_2lda 1
174 1 . 1 . 1 1 7 7 GLN HA H . . . . 6 . HA rr_2lda 1
174 1 . 2 . 1 1 8 8 Mk8 HN H . . . . 7 . HN rr_2lda 1
175 1 . 1 . 1 1 7 7 GLN HB3 H . . . . 6 . HB1 rr_2lda 1
175 1 . 2 . 1 1 8 8 Mk8 HN H . . . . 7 . HN rr_2lda 1
176 1 . 1 . 1 1 7 7 GLN HB2 H . . . . 6 . HB2 rr_2lda 1
176 1 . 2 . 1 1 8 8 Mk8 HN H . . . . 7 . HN rr_2lda 1
177 1 . 1 . 1 1 7 7 GLN HG2 H . . . . 6 . HG2 rr_2lda 1
177 1 . 2 . 1 1 8 8 Mk8 HN H . . . . 7 . HN rr_2lda 1
178 1 . 1 . 1 1 8 8 Mk8 HN H . . . . 7 . HN rr_2lda 1
178 1 . 2 . 1 1 9 9 LEU H H . . . . 8 . HN rr_2lda 1
179 1 . 1 . 1 1 8 8 Mk8 HN H . . . . 7 . HN rr_2lda 1
179 1 . 2 . 1 1 9 9 LEU HB2 H . . . . 8 . HB2 rr_2lda 1
180 1 . 1 . 1 1 9 9 LEU HA H . . . . 8 . HA rr_2lda 1
180 1 . 2 . 1 1 10 10 GLN H H . . . . 9 . HN rr_2lda 1
181 1 . 1 . 1 1 9 9 LEU HB3 H . . . . 8 . HB1 rr_2lda 1
181 1 . 2 . 1 1 10 10 GLN H H . . . . 9 . HN rr_2lda 1
182 1 . 1 . 1 1 9 9 LEU HB2 H . . . . 8 . HB2 rr_2lda 1
182 1 . 2 . 1 1 10 10 GLN H H . . . . 9 . HN rr_2lda 1
183 1 . 1 . 1 1 9 9 LEU HG H . . . . 8 . HG rr_2lda 1
183 1 . 2 . 1 1 10 10 GLN H H . . . . 9 . HN rr_2lda 1
184 1 . 1 . 1 1 9 9 LEU MD1 H . . . . 8 . HD1# rr_2lda 1
184 1 . 2 . 1 1 10 10 GLN H H . . . . 9 . HN rr_2lda 1
185 1 . 1 . 1 1 9 9 LEU MD2 H . . . . 8 . HD2# rr_2lda 1
185 1 . 2 . 1 1 10 10 GLN H H . . . . 9 . HN rr_2lda 1
186 1 . 1 . 1 1 9 9 LEU HB3 H . . . . 8 . HB1 rr_2lda 1
186 1 . 2 . 1 1 10 10 GLN HA H . . . . 9 . HA rr_2lda 1
187 1 . 1 . 1 1 9 9 LEU MD2 H . . . . 8 . HD2# rr_2lda 1
187 1 . 2 . 1 1 10 10 GLN HA H . . . . 9 . HA rr_2lda 1
188 1 . 1 . 1 1 9 9 LEU HB3 H . . . . 8 . HB1 rr_2lda 1
188 1 . 2 . 1 1 10 10 GLN HB2 H . . . . 9 . HB2 rr_2lda 1
189 2 . 1 . 1 1 9 9 LEU HB3 H . . . . 8 . HB1 rr_2lda 1
189 2 . 2 . 1 1 10 10 GLN HG2 H . . . . 9 . HG# rr_2lda 1
189 3 . 1 . 1 1 9 9 LEU HB3 H . . . . 8 . HB1 rr_2lda 1
189 3 . 2 . 1 1 10 10 GLN HG3 H . . . . 9 . HG# rr_2lda 1
190 2 . 1 . 1 1 9 9 LEU HG H . . . . 8 . HG rr_2lda 1
190 2 . 2 . 1 1 10 10 GLN HG2 H . . . . 9 . HG# rr_2lda 1
190 3 . 1 . 1 1 9 9 LEU HG H . . . . 8 . HG rr_2lda 1
190 3 . 2 . 1 1 10 10 GLN HG3 H . . . . 9 . HG# rr_2lda 1
191 2 . 1 . 1 1 9 9 LEU MD2 H . . . . 8 . HD2# rr_2lda 1
191 2 . 2 . 1 1 10 10 GLN HG2 H . . . . 9 . HG# rr_2lda 1
191 3 . 1 . 1 1 9 9 LEU MD2 H . . . . 8 . HD2# rr_2lda 1
191 3 . 2 . 1 1 10 10 GLN HG3 H . . . . 9 . HG# rr_2lda 1
192 1 . 1 . 1 1 10 10 GLN H H . . . . 9 . HN rr_2lda 1
192 1 . 2 . 1 1 11 11 ASP H H . . . . 10 . HN rr_2lda 1
193 1 . 1 . 1 1 10 10 GLN HA H . . . . 9 . HA rr_2lda 1
193 1 . 2 . 1 1 11 11 ASP H H . . . . 10 . HN rr_2lda 1
194 1 . 1 . 1 1 10 10 GLN HB3 H . . . . 9 . HB1 rr_2lda 1
194 1 . 2 . 1 1 11 11 ASP H H . . . . 10 . HN rr_2lda 1
195 1 . 1 . 1 1 10 10 GLN HB2 H . . . . 9 . HB2 rr_2lda 1
195 1 . 2 . 1 1 11 11 ASP H H . . . . 10 . HN rr_2lda 1
196 2 . 1 . 1 1 10 10 GLN HG2 H . . . . 9 . HG# rr_2lda 1
196 2 . 2 . 1 1 11 11 ASP H H . . . . 10 . HN rr_2lda 1
196 3 . 1 . 1 1 10 10 GLN HG3 H . . . . 9 . HG# rr_2lda 1
196 3 . 2 . 1 1 11 11 ASP H H . . . . 10 . HN rr_2lda 1
197 1 . 1 . 1 1 10 10 GLN HA H . . . . 9 . HA rr_2lda 1
197 1 . 2 . 1 1 11 11 ASP HA H . . . . 10 . HA rr_2lda 1
198 1 . 1 . 1 1 10 10 GLN HB3 H . . . . 9 . HB1 rr_2lda 1
198 1 . 2 . 1 1 11 11 ASP HA H . . . . 10 . HA rr_2lda 1
199 1 . 1 . 1 1 10 10 GLN HB2 H . . . . 9 . HB2 rr_2lda 1
199 1 . 2 . 1 1 11 11 ASP HA H . . . . 10 . HA rr_2lda 1
200 1 . 1 . 1 1 10 10 GLN H H . . . . 9 . HN rr_2lda 1
200 1 . 2 . 1 1 11 11 ASP HB3 H . . . . 10 . HB1 rr_2lda 1
201 1 . 1 . 1 1 11 11 ASP H H . . . . 10 . HN rr_2lda 1
201 1 . 2 . 1 1 12 12 SER H H . . . . 11 . HN rr_2lda 1
202 1 . 1 . 1 1 11 11 ASP HA H . . . . 10 . HA rr_2lda 1
202 1 . 2 . 1 1 12 12 SER H H . . . . 11 . HN rr_2lda 1
203 1 . 1 . 1 1 11 11 ASP HB3 H . . . . 10 . HB1 rr_2lda 1
203 1 . 2 . 1 1 12 12 SER H H . . . . 11 . HN rr_2lda 1
204 1 . 1 . 1 1 11 11 ASP HB2 H . . . . 10 . HB2 rr_2lda 1
204 1 . 2 . 1 1 12 12 SER H H . . . . 11 . HN rr_2lda 1
205 1 . 1 . 1 1 11 11 ASP HA H . . . . 10 . HA rr_2lda 1
205 1 . 2 . 1 1 12 12 SER HA H . . . . 11 . HA rr_2lda 1
206 1 . 1 . 1 1 11 11 ASP H H . . . . 10 . HN rr_2lda 1
206 1 . 2 . 1 1 12 12 SER HB2 H . . . . 11 . HB2 rr_2lda 1
207 1 . 1 . 1 1 12 12 SER H H . . . . 11 . HN rr_2lda 1
207 1 . 2 . 1 1 13 13 NH2 HN1 H . . . . 12 . HN1 rr_2lda 1
208 1 . 1 . 1 1 12 12 SER HA H . . . . 11 . HA rr_2lda 1
208 1 . 2 . 1 1 13 13 NH2 HN1 H . . . . 12 . HN1 rr_2lda 1
209 1 . 1 . 1 1 12 12 SER HB3 H . . . . 11 . HB1 rr_2lda 1
209 1 . 2 . 1 1 13 13 NH2 HN1 H . . . . 12 . HN1 rr_2lda 1
210 1 . 1 . 1 1 12 12 SER HB2 H . . . . 11 . HB2 rr_2lda 1
210 1 . 2 . 1 1 13 13 NH2 HN1 H . . . . 12 . HN1 rr_2lda 1
211 1 . 1 . 1 1 12 12 SER H H . . . . 11 . HN rr_2lda 1
211 1 . 2 . 1 1 13 13 NH2 HN2 H . . . . 12 . HN2 rr_2lda 1
212 1 . 1 . 1 1 12 12 SER HA H . . . . 11 . HA rr_2lda 1
212 1 . 2 . 1 1 13 13 NH2 HN2 H . . . . 12 . HN2 rr_2lda 1
213 1 . 1 . 1 1 12 12 SER HB2 H . . . . 11 . HB2 rr_2lda 1
213 1 . 2 . 1 1 13 13 NH2 HN2 H . . . . 12 . HN2 rr_2lda 1
214 1 . 1 . 1 1 1 1 ACE H* H . . . . 0 . HB# rr_2lda 1
214 1 . 2 . 1 1 3 3 LYS H H . . . . 2 . HN rr_2lda 1
215 1 . 1 . 1 1 1 1 ACE H* H . . . . 0 . HB# rr_2lda 1
215 1 . 2 . 1 1 3 3 LYS HB2 H . . . . 2 . HB2 rr_2lda 1
216 1 . 1 . 1 1 1 1 ACE H* H . . . . 0 . HB# rr_2lda 1
216 1 . 2 . 1 1 4 4 Mk8 HN H . . . . 3 . HN rr_2lda 1
217 1 . 1 . 1 1 2 2 HIS H H . . . . 1 . HN rr_2lda 1
217 1 . 2 . 1 1 4 4 Mk8 HN H . . . . 3 . HN rr_2lda 1
218 1 . 1 . 1 1 2 2 HIS HA H . . . . 1 . HA rr_2lda 1
218 1 . 2 . 1 1 4 4 Mk8 HN H . . . . 3 . HN rr_2lda 1
219 1 . 1 . 1 1 1 1 ACE H* H . . . . 0 . HB# rr_2lda 1
219 1 . 2 . 1 1 5 5 LEU H H . . . . 4 . HN rr_2lda 1
220 1 . 1 . 1 1 2 2 HIS HA H . . . . 1 . HA rr_2lda 1
220 1 . 2 . 1 1 5 5 LEU H H . . . . 4 . HN rr_2lda 1
221 1 . 1 . 1 1 3 3 LYS H H . . . . 2 . HN rr_2lda 1
221 1 . 2 . 1 1 5 5 LEU H H . . . . 4 . HN rr_2lda 1
222 1 . 1 . 1 1 2 2 HIS HA H . . . . 1 . HA rr_2lda 1
222 1 . 2 . 1 1 5 5 LEU HB3 H . . . . 4 . HB1 rr_2lda 1
223 1 . 1 . 1 1 2 2 HIS HA H . . . . 1 . HA rr_2lda 1
223 1 . 2 . 1 1 5 5 LEU HB2 H . . . . 4 . HB2 rr_2lda 1
224 1 . 1 . 1 1 3 3 LYS HA H . . . . 2 . HA rr_2lda 1
224 1 . 2 . 1 1 6 6 HIS H H . . . . 5 . HN rr_2lda 1
225 1 . 1 . 1 1 4 4 Mk8 HN H . . . . 3 . HN rr_2lda 1
225 1 . 2 . 1 1 6 6 HIS H H . . . . 5 . HN rr_2lda 1
226 2 . 1 . 1 1 3 3 LYS H H . . . . 2 . HN rr_2lda 1
226 2 . 2 . 1 1 6 6 HIS HB2 H . . . . 5 . HB# rr_2lda 1
226 3 . 1 . 1 1 3 3 LYS H H . . . . 2 . HN rr_2lda 1
226 3 . 2 . 1 1 6 6 HIS HB3 H . . . . 5 . HB# rr_2lda 1
227 2 . 1 . 1 1 3 3 LYS HA H . . . . 2 . HA rr_2lda 1
227 2 . 2 . 1 1 6 6 HIS HB2 H . . . . 5 . HB# rr_2lda 1
227 3 . 1 . 1 1 3 3 LYS HA H . . . . 2 . HA rr_2lda 1
227 3 . 2 . 1 1 6 6 HIS HB3 H . . . . 5 . HB# rr_2lda 1
228 2 . 1 . 1 1 3 3 LYS HB3 H . . . . 2 . HB1 rr_2lda 1
228 2 . 2 . 1 1 6 6 HIS HB2 H . . . . 5 . HB# rr_2lda 1
228 3 . 1 . 1 1 3 3 LYS HB3 H . . . . 2 . HB1 rr_2lda 1
228 3 . 2 . 1 1 6 6 HIS HB3 H . . . . 5 . HB# rr_2lda 1
229 2 . 1 . 1 1 3 3 LYS HB2 H . . . . 2 . HB2 rr_2lda 1
229 2 . 2 . 1 1 6 6 HIS HB2 H . . . . 5 . HB# rr_2lda 1
229 3 . 1 . 1 1 3 3 LYS HB2 H . . . . 2 . HB2 rr_2lda 1
229 3 . 2 . 1 1 6 6 HIS HB3 H . . . . 5 . HB# rr_2lda 1
230 2 . 1 . 1 1 3 3 LYS HG2 H . . . . 2 . HG2 rr_2lda 1
230 2 . 2 . 1 1 6 6 HIS HB2 H . . . . 5 . HB# rr_2lda 1
230 3 . 1 . 1 1 3 3 LYS HG2 H . . . . 2 . HG2 rr_2lda 1
230 3 . 2 . 1 1 6 6 HIS HB3 H . . . . 5 . HB# rr_2lda 1
231 1 . 1 . 1 1 3 3 LYS HA H . . . . 2 . HA rr_2lda 1
231 1 . 2 . 1 1 7 7 GLN H H . . . . 6 . HN rr_2lda 1
232 1 . 1 . 1 1 5 5 LEU H H . . . . 4 . HN rr_2lda 1
232 1 . 2 . 1 1 7 7 GLN H H . . . . 6 . HN rr_2lda 1
233 1 . 1 . 1 1 5 5 LEU HA H . . . . 4 . HA rr_2lda 1
233 1 . 2 . 1 1 7 7 GLN H H . . . . 6 . HN rr_2lda 1
234 1 . 1 . 1 1 5 5 LEU HA H . . . . 4 . HA rr_2lda 1
234 1 . 2 . 1 1 7 7 GLN HB2 H . . . . 6 . HB2 rr_2lda 1
235 1 . 1 . 1 1 3 3 LYS HB3 H . . . . 2 . HB1 rr_2lda 1
235 1 . 2 . 1 1 7 7 GLN HG3 H . . . . 6 . HG1 rr_2lda 1
236 1 . 1 . 1 1 3 3 LYS HB3 H . . . . 2 . HB1 rr_2lda 1
236 1 . 2 . 1 1 7 7 GLN HG2 H . . . . 6 . HG2 rr_2lda 1
237 1 . 1 . 1 1 5 5 LEU HA H . . . . 4 . HA rr_2lda 1
237 1 . 2 . 1 1 8 8 Mk8 HN H . . . . 7 . HN rr_2lda 1
238 1 . 1 . 1 1 5 5 LEU MD1 H . . . . 4 . HD1# rr_2lda 1
238 1 . 2 . 1 1 8 8 Mk8 HN H . . . . 7 . HN rr_2lda 1
239 1 . 1 . 1 1 6 6 HIS H H . . . . 5 . HN rr_2lda 1
239 1 . 2 . 1 1 8 8 Mk8 HN H . . . . 7 . HN rr_2lda 1
240 2 . 1 . 1 1 6 6 HIS HB2 H . . . . 5 . HB# rr_2lda 1
240 2 . 2 . 1 1 8 8 Mk8 HN H . . . . 7 . HN rr_2lda 1
240 3 . 1 . 1 1 6 6 HIS HB3 H . . . . 5 . HB# rr_2lda 1
240 3 . 2 . 1 1 8 8 Mk8 HN H . . . . 7 . HN rr_2lda 1
241 1 . 1 . 1 1 5 5 LEU HA H . . . . 4 . HA rr_2lda 1
241 1 . 2 . 1 1 9 9 LEU H H . . . . 8 . HN rr_2lda 1
242 1 . 1 . 1 1 5 5 LEU MD1 H . . . . 4 . HD1# rr_2lda 1
242 1 . 2 . 1 1 9 9 LEU H H . . . . 8 . HN rr_2lda 1
243 1 . 1 . 1 1 6 6 HIS H H . . . . 5 . HN rr_2lda 1
243 1 . 2 . 1 1 9 9 LEU H H . . . . 8 . HN rr_2lda 1
244 1 . 1 . 1 1 6 6 HIS HA H . . . . 5 . HA rr_2lda 1
244 1 . 2 . 1 1 9 9 LEU H H . . . . 8 . HN rr_2lda 1
245 2 . 1 . 1 1 6 6 HIS HB2 H . . . . 5 . HB# rr_2lda 1
245 2 . 2 . 1 1 9 9 LEU H H . . . . 8 . HN rr_2lda 1
245 3 . 1 . 1 1 6 6 HIS HB3 H . . . . 5 . HB# rr_2lda 1
245 3 . 2 . 1 1 9 9 LEU H H . . . . 8 . HN rr_2lda 1
246 1 . 1 . 1 1 7 7 GLN H H . . . . 6 . HN rr_2lda 1
246 1 . 2 . 1 1 9 9 LEU H H . . . . 8 . HN rr_2lda 1
247 1 . 1 . 1 1 7 7 GLN HA H . . . . 6 . HA rr_2lda 1
247 1 . 2 . 1 1 9 9 LEU H H . . . . 8 . HN rr_2lda 1
248 1 . 1 . 1 1 7 7 GLN HB2 H . . . . 6 . HB2 rr_2lda 1
248 1 . 2 . 1 1 9 9 LEU H H . . . . 8 . HN rr_2lda 1
249 1 . 1 . 1 1 6 6 HIS HA H . . . . 5 . HA rr_2lda 1
249 1 . 2 . 1 1 9 9 LEU HB3 H . . . . 8 . HB1 rr_2lda 1
250 2 . 1 . 1 1 6 6 HIS HB2 H . . . . 5 . HB# rr_2lda 1
250 2 . 2 . 1 1 9 9 LEU HB3 H . . . . 8 . HB1 rr_2lda 1
250 3 . 1 . 1 1 6 6 HIS HB3 H . . . . 5 . HB# rr_2lda 1
250 3 . 2 . 1 1 9 9 LEU HB3 H . . . . 8 . HB1 rr_2lda 1
251 1 . 1 . 1 1 5 5 LEU HG H . . . . 4 . HG rr_2lda 1
251 1 . 2 . 1 1 9 9 LEU HB2 H . . . . 8 . HB2 rr_2lda 1
252 1 . 1 . 1 1 5 5 LEU MD1 H . . . . 4 . HD1# rr_2lda 1
252 1 . 2 . 1 1 9 9 LEU HB2 H . . . . 8 . HB2 rr_2lda 1
253 1 . 1 . 1 1 6 6 HIS HA H . . . . 5 . HA rr_2lda 1
253 1 . 2 . 1 1 9 9 LEU HB2 H . . . . 8 . HB2 rr_2lda 1
254 1 . 1 . 1 1 7 7 GLN H H . . . . 6 . HN rr_2lda 1
254 1 . 2 . 1 1 9 9 LEU HB2 H . . . . 8 . HB2 rr_2lda 1
255 1 . 1 . 1 1 5 5 LEU MD1 H . . . . 4 . HD1# rr_2lda 1
255 1 . 2 . 1 1 9 9 LEU HG H . . . . 8 . HG rr_2lda 1
256 1 . 1 . 1 1 5 5 LEU MD2 H . . . . 4 . HD2# rr_2lda 1
256 1 . 2 . 1 1 9 9 LEU MD1 H . . . . 8 . HD1# rr_2lda 1
257 1 . 1 . 1 1 5 5 LEU MD2 H . . . . 4 . HD2# rr_2lda 1
257 1 . 2 . 1 1 9 9 LEU MD2 H . . . . 8 . HD2# rr_2lda 1
258 1 . 1 . 1 1 6 6 HIS HA H . . . . 5 . HA rr_2lda 1
258 1 . 2 . 1 1 9 9 LEU MD2 H . . . . 8 . HD2# rr_2lda 1
259 2 . 1 . 1 1 6 6 HIS HB2 H . . . . 5 . HB# rr_2lda 1
259 2 . 2 . 1 1 9 9 LEU MD2 H . . . . 8 . HD2# rr_2lda 1
259 3 . 1 . 1 1 6 6 HIS HB3 H . . . . 5 . HB# rr_2lda 1
259 3 . 2 . 1 1 9 9 LEU MD2 H . . . . 8 . HD2# rr_2lda 1
260 1 . 1 . 1 1 6 6 HIS HD2 H . . . . 5 . HD2 rr_2lda 1
260 1 . 2 . 1 1 9 9 LEU MD2 H . . . . 8 . HD2# rr_2lda 1
261 1 . 1 . 1 1 6 6 HIS HA H . . . . 5 . HA rr_2lda 1
261 1 . 2 . 1 1 10 10 GLN H H . . . . 9 . HN rr_2lda 1
262 1 . 1 . 1 1 7 7 GLN HA H . . . . 6 . HA rr_2lda 1
262 1 . 2 . 1 1 10 10 GLN H H . . . . 9 . HN rr_2lda 1
263 1 . 1 . 1 1 8 8 Mk8 HN H . . . . 7 . HN rr_2lda 1
263 1 . 2 . 1 1 10 10 GLN H H . . . . 9 . HN rr_2lda 1
264 1 . 1 . 1 1 7 7 GLN HA H . . . . 6 . HA rr_2lda 1
264 1 . 2 . 1 1 10 10 GLN HB3 H . . . . 9 . HB1 rr_2lda 1
265 1 . 1 . 1 1 7 7 GLN HA H . . . . 6 . HA rr_2lda 1
265 1 . 2 . 1 1 10 10 GLN HB2 H . . . . 9 . HB2 rr_2lda 1
266 1 . 1 . 1 1 7 7 GLN HB3 H . . . . 6 . HB1 rr_2lda 1
266 1 . 2 . 1 1 10 10 GLN HB2 H . . . . 9 . HB2 rr_2lda 1
267 2 . 1 . 1 1 6 6 HIS HE1 H . . . . 5 . HE1 rr_2lda 1
267 2 . 2 . 1 1 10 10 GLN HG2 H . . . . 9 . HG# rr_2lda 1
267 3 . 1 . 1 1 6 6 HIS HE1 H . . . . 5 . HE1 rr_2lda 1
267 3 . 2 . 1 1 10 10 GLN HG3 H . . . . 9 . HG# rr_2lda 1
268 2 . 1 . 1 1 7 7 GLN HA H . . . . 6 . HA rr_2lda 1
268 2 . 2 . 1 1 10 10 GLN HG2 H . . . . 9 . HG# rr_2lda 1
268 3 . 1 . 1 1 7 7 GLN HA H . . . . 6 . HA rr_2lda 1
268 3 . 2 . 1 1 10 10 GLN HG3 H . . . . 9 . HG# rr_2lda 1
269 1 . 1 . 1 1 7 7 GLN HA H . . . . 6 . HA rr_2lda 1
269 1 . 2 . 1 1 11 11 ASP H H . . . . 10 . HN rr_2lda 1
270 1 . 1 . 1 1 9 9 LEU H H . . . . 8 . HN rr_2lda 1
270 1 . 2 . 1 1 11 11 ASP H H . . . . 10 . HN rr_2lda 1
271 1 . 1 . 1 1 9 9 LEU HA H . . . . 8 . HA rr_2lda 1
271 1 . 2 . 1 1 11 11 ASP H H . . . . 10 . HN rr_2lda 1
272 1 . 1 . 1 1 9 9 LEU HA H . . . . 8 . HA rr_2lda 1
272 1 . 2 . 1 1 12 12 SER H H . . . . 11 . HN rr_2lda 1
273 1 . 1 . 1 1 10 10 GLN H H . . . . 9 . HN rr_2lda 1
273 1 . 2 . 1 1 12 12 SER H H . . . . 11 . HN rr_2lda 1
274 1 . 1 . 1 1 10 10 GLN HA H . . . . 9 . HA rr_2lda 1
274 1 . 2 . 1 1 12 12 SER H H . . . . 11 . HN rr_2lda 1
275 1 . 1 . 1 1 10 10 GLN HB2 H . . . . 9 . HB2 rr_2lda 1
275 1 . 2 . 1 1 12 12 SER H H . . . . 11 . HN rr_2lda 1
276 1 . 1 . 1 1 9 9 LEU HA H . . . . 8 . HA rr_2lda 1
276 1 . 2 . 1 1 12 12 SER HB3 H . . . . 11 . HB1 rr_2lda 1
277 1 . 1 . 1 1 9 9 LEU HA H . . . . 8 . HA rr_2lda 1
277 1 . 2 . 1 1 12 12 SER HB2 H . . . . 11 . HB2 rr_2lda 1
278 1 . 1 . 1 1 10 10 GLN H H . . . . 9 . HN rr_2lda 1
278 1 . 2 . 1 1 13 13 NH2 HN1 H . . . . 12 . HN1 rr_2lda 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 0.0 -1.8 2.97180 rr_2lda 1
2 1 . . . . . . 0.0 -1.8 3.73171 rr_2lda 1
3 1 . . . . . . 0.0 -1.8 3.11628 rr_2lda 1
4 1 . . . . . . 0.0 -1.8 2.73536 rr_2lda 1
5 1 . . . . . . 0.0 -1.8 3.10728 rr_2lda 1
6 1 . . . . . . 0.0 -1.8 1.85580 rr_2lda 1
7 1 . . . . . . 0.0 -1.8 4.46033 rr_2lda 1
8 1 . . . . . . 0.0 -1.8 3.71303 rr_2lda 1
9 1 . . . . . . 0.0 -1.8 3.79663 rr_2lda 1
10 1 . . . . . . 0.0 -1.8 4.34318 rr_2lda 1
11 1 . . . . . . 0.0 -1.8 2.95217 rr_2lda 1
12 1 . . . . . . 0.0 -1.8 2.91468 rr_2lda 1
13 1 . . . . . . 0.0 -1.8 2.80865 rr_2lda 1
14 1 . . . . . . 0.0 -1.8 3.74508 rr_2lda 1
15 1 . . . . . . 0.0 -1.8 3.05710 rr_2lda 1
16 1 . . . . . . 0.0 -1.8 1.85000 rr_2lda 1
17 1 . . . . . . 0.0 -1.8 4.08078 rr_2lda 1
18 1 . . . . . . 0.0 -1.8 3.65734 rr_2lda 1
19 1 . . . . . . 0.0 -1.8 3.10403 rr_2lda 1
20 1 . . . . . . 0.0 -1.8 2.70637 rr_2lda 1
21 1 . . . . . . 0.0 -1.8 3.69964 rr_2lda 1
22 1 . . . . . . 0.0 -1.8 3.91966 rr_2lda 1
23 1 . . . . . . 0.0 -1.8 2.59810 rr_2lda 1
24 1 . . . . . . 0.0 -1.8 3.09803 rr_2lda 1
25 2 . . . . . . 0.0 -1.8 4.33937 rr_2lda 1
25 3 . . . . . . 0.0 -1.8 4.33937 rr_2lda 1
26 2 . . . . . . 0.0 -1.8 3.94478 rr_2lda 1
26 3 . . . . . . 0.0 -1.8 3.94478 rr_2lda 1
27 2 . . . . . . 0.0 -1.8 2.54589 rr_2lda 1
27 3 . . . . . . 0.0 -1.8 2.54589 rr_2lda 1
28 2 . . . . . . 0.0 -1.8 2.47450 rr_2lda 1
28 3 . . . . . . 0.0 -1.8 2.47450 rr_2lda 1
29 2 . . . . . . 0.0 -1.8 2.43481 rr_2lda 1
29 3 . . . . . . 0.0 -1.8 2.43481 rr_2lda 1
30 1 . . . . . . 0.0 -1.8 4.77966 rr_2lda 1
31 1 . . . . . . 0.0 -1.8 3.76553 rr_2lda 1
32 1 . . . . . . 0.0 -1.8 4.35393 rr_2lda 1
33 2 . . . . . . 0.0 -1.8 2.44065 rr_2lda 1
33 3 . . . . . . 0.0 -1.8 2.44065 rr_2lda 1
34 1 . . . . . . 0.0 -1.8 4.67831 rr_2lda 1
35 1 . . . . . . 0.0 -1.8 4.87333 rr_2lda 1
36 1 . . . . . . 0.0 -1.8 3.72647 rr_2lda 1
37 1 . . . . . . 0.0 -1.8 3.87855 rr_2lda 1
38 2 . . . . . . 0.0 -1.8 2.46464 rr_2lda 1
38 3 . . . . . . 0.0 -1.8 2.46464 rr_2lda 1
39 1 . . . . . . 0.0 -1.8 1.86412 rr_2lda 1
40 1 . . . . . . 0.0 -1.8 2.86657 rr_2lda 1
41 1 . . . . . . 0.0 -1.8 2.92805 rr_2lda 1
42 1 . . . . . . 0.0 -1.8 3.10632 rr_2lda 1
43 1 . . . . . . 0.0 -1.8 2.72595 rr_2lda 1
44 1 . . . . . . 0.0 -1.8 2.76424 rr_2lda 1
45 1 . . . . . . 0.0 -1.8 1.84607 rr_2lda 1
46 1 . . . . . . 0.0 -1.8 4.67415 rr_2lda 1
47 1 . . . . . . 0.0 -1.8 3.93605 rr_2lda 1
48 1 . . . . . . 0.0 -1.8 2.87818 rr_2lda 1
49 1 . . . . . . 0.0 -1.8 3.94734 rr_2lda 1
50 1 . . . . . . 0.0 -1.8 3.20293 rr_2lda 1
51 1 . . . . . . 0.0 -1.8 2.63965 rr_2lda 1
52 1 . . . . . . 0.0 -1.8 3.37998 rr_2lda 1
53 1 . . . . . . 0.0 -1.8 2.21109 rr_2lda 1
54 1 . . . . . . 0.0 -1.8 4.42308 rr_2lda 1
55 1 . . . . . . 0.0 -1.8 3.49170 rr_2lda 1
56 1 . . . . . . 0.0 -1.8 3.34205 rr_2lda 1
57 1 . . . . . . 0.0 -1.8 2.53459 rr_2lda 1
58 1 . . . . . . 0.0 -1.8 2.19819 rr_2lda 1
59 1 . . . . . . 0.0 -1.8 2.99147 rr_2lda 1
60 2 . . . . . . 0.0 -1.8 2.47933 rr_2lda 1
60 3 . . . . . . 0.0 -1.8 2.47933 rr_2lda 1
61 2 . . . . . . 0.0 -1.8 2.59412 rr_2lda 1
61 3 . . . . . . 0.0 -1.8 2.59412 rr_2lda 1
62 1 . . . . . . 0.0 -1.8 4.85198 rr_2lda 1
63 1 . . . . . . 0.0 -1.8 4.30782 rr_2lda 1
64 2 . . . . . . 0.0 -1.8 3.32936 rr_2lda 1
64 3 . . . . . . 0.0 -1.8 3.32936 rr_2lda 1
65 2 . . . . . . 0.0 -1.8 4.65181 rr_2lda 1
65 3 . . . . . . 0.0 -1.8 4.65181 rr_2lda 1
66 1 . . . . . . 0.0 -1.8 4.34096 rr_2lda 1
67 1 . . . . . . 0.0 -1.8 2.95022 rr_2lda 1
68 1 . . . . . . 0.0 -1.8 2.84213 rr_2lda 1
69 1 . . . . . . 0.0 -1.8 2.93105 rr_2lda 1
70 1 . . . . . . 0.0 -1.8 2.92644 rr_2lda 1
71 1 . . . . . . 0.0 -1.8 3.06323 rr_2lda 1
72 1 . . . . . . 0.0 -1.8 1.85099 rr_2lda 1
73 1 . . . . . . 0.0 -1.8 4.07641 rr_2lda 1
74 1 . . . . . . 0.0 -1.8 3.78414 rr_2lda 1
75 1 . . . . . . 0.0 -1.8 2.66113 rr_2lda 1
76 1 . . . . . . 0.0 -1.8 3.51075 rr_2lda 1
77 1 . . . . . . 0.0 -1.8 2.82842 rr_2lda 1
78 1 . . . . . . 0.0 -1.8 3.09256 rr_2lda 1
79 1 . . . . . . 0.0 -1.8 3.10499 rr_2lda 1
80 1 . . . . . . 0.0 -1.8 4.49448 rr_2lda 1
81 1 . . . . . . 0.0 -1.8 4.49671 rr_2lda 1
82 1 . . . . . . 0.0 -1.8 3.65198 rr_2lda 1
83 1 . . . . . . 0.0 -1.8 3.35616 rr_2lda 1
84 1 . . . . . . 0.0 -1.8 4.37966 rr_2lda 1
85 1 . . . . . . 0.0 -1.8 4.73223 rr_2lda 1
86 1 . . . . . . 0.0 -1.8 4.02604 rr_2lda 1
87 1 . . . . . . 0.0 -1.8 3.54719 rr_2lda 1
88 1 . . . . . . 0.0 -1.8 1.82672 rr_2lda 1
89 1 . . . . . . 0.0 -1.8 2.92449 rr_2lda 1
90 1 . . . . . . 0.0 -1.8 3.14718 rr_2lda 1
91 1 . . . . . . 0.0 -1.8 3.11144 rr_2lda 1
92 1 . . . . . . 0.0 -1.8 2.64667 rr_2lda 1
93 1 . . . . . . 0.0 -1.8 2.95018 rr_2lda 1
94 1 . . . . . . 0.0 -1.8 1.84894 rr_2lda 1
95 1 . . . . . . 0.0 -1.8 4.63956 rr_2lda 1
96 1 . . . . . . 0.0 -1.8 3.86197 rr_2lda 1
97 1 . . . . . . 0.0 -1.8 2.70715 rr_2lda 1
98 1 . . . . . . 0.0 -1.8 4.54092 rr_2lda 1
99 1 . . . . . . 0.0 -1.8 3.01180 rr_2lda 1
100 1 . . . . . . 0.0 -1.8 2.66293 rr_2lda 1
101 1 . . . . . . 0.0 -1.8 3.38449 rr_2lda 1
102 1 . . . . . . 0.0 -1.8 2.21179 rr_2lda 1
103 1 . . . . . . 0.0 -1.8 3.90655 rr_2lda 1
104 1 . . . . . . 0.0 -1.8 3.67187 rr_2lda 1
105 1 . . . . . . 0.0 -1.8 3.33469 rr_2lda 1
106 1 . . . . . . 0.0 -1.8 2.50579 rr_2lda 1
107 1 . . . . . . 0.0 -1.8 2.20594 rr_2lda 1
108 1 . . . . . . 0.0 -1.8 2.16194 rr_2lda 1
109 1 . . . . . . 0.0 -1.8 2.98296 rr_2lda 1
110 1 . . . . . . 0.0 -1.8 3.73794 rr_2lda 1
111 1 . . . . . . 0.0 -1.8 2.86832 rr_2lda 1
112 1 . . . . . . 0.0 -1.8 2.92377 rr_2lda 1
113 1 . . . . . . 0.0 -1.8 3.05501 rr_2lda 1
114 1 . . . . . . 0.0 -1.8 1.85614 rr_2lda 1
115 2 . . . . . . 0.0 -1.8 3.18160 rr_2lda 1
115 3 . . . . . . 0.0 -1.8 3.18160 rr_2lda 1
116 2 . . . . . . 0.0 -1.8 3.00041 rr_2lda 1
116 3 . . . . . . 0.0 -1.8 3.00041 rr_2lda 1
117 2 . . . . . . 0.0 -1.8 2.45536 rr_2lda 1
117 3 . . . . . . 0.0 -1.8 2.45536 rr_2lda 1
118 2 . . . . . . 0.0 -1.8 2.42811 rr_2lda 1
118 3 . . . . . . 0.0 -1.8 2.42811 rr_2lda 1
119 1 . . . . . . 0.0 -1.8 4.51775 rr_2lda 1
120 1 . . . . . . 0.0 -1.8 4.76675 rr_2lda 1
121 2 . . . . . . 0.0 -1.8 2.80824 rr_2lda 1
121 3 . . . . . . 0.0 -1.8 2.80824 rr_2lda 1
122 2 . . . . . . 0.0 -1.8 3.61270 rr_2lda 1
122 3 . . . . . . 0.0 -1.8 3.61270 rr_2lda 1
123 1 . . . . . . 0.0 -1.8 1.82871 rr_2lda 1
124 1 . . . . . . 0.0 -1.8 2.94875 rr_2lda 1
125 1 . . . . . . 0.0 -1.8 2.89686 rr_2lda 1
126 1 . . . . . . 0.0 -1.8 3.13551 rr_2lda 1
127 1 . . . . . . 0.0 -1.8 3.24211 rr_2lda 1
128 1 . . . . . . 0.0 -1.8 3.08912 rr_2lda 1
129 1 . . . . . . 0.0 -1.8 1.85753 rr_2lda 1
130 1 . . . . . . 0.0 -1.8 3.01581 rr_2lda 1
131 1 . . . . . . 0.0 -1.8 3.10996 rr_2lda 1
132 1 . . . . . . 0.0 -1.8 2.91001 rr_2lda 1
133 1 . . . . . . 0.0 -1.8 3.71317 rr_2lda 1
134 1 . . . . . . 0.0 -1.8 3.13018 rr_2lda 1
135 1 . . . . . . 0.0 -1.8 1.86171 rr_2lda 1
136 1 . . . . . . 0.0 -1.8 1.82648 rr_2lda 1
137 1 . . . . . . 0.0 -1.8 2.35920 rr_2lda 1
138 1 . . . . . . 0.0 -1.8 3.91432 rr_2lda 1
139 1 . . . . . . 0.0 -1.8 4.57768 rr_2lda 1
140 1 . . . . . . 0.0 -1.8 4.25246 rr_2lda 1
141 1 . . . . . . 0.0 -1.8 3.60838 rr_2lda 1
142 1 . . . . . . 0.0 -1.8 3.88351 rr_2lda 1
143 1 . . . . . . 0.0 -1.8 4.09321 rr_2lda 1
144 1 . . . . . . 0.0 -1.8 4.95886 rr_2lda 1
145 1 . . . . . . 0.0 -1.8 4.58699 rr_2lda 1
146 1 . . . . . . 0.0 -1.8 4.88735 rr_2lda 1
147 1 . . . . . . 0.0 -1.8 3.30808 rr_2lda 1
148 1 . . . . . . 0.0 -1.8 3.70423 rr_2lda 1
149 1 . . . . . . 0.0 -1.8 4.36195 rr_2lda 1
150 1 . . . . . . 0.0 -1.8 3.48056 rr_2lda 1
151 1 . . . . . . 0.0 -1.8 4.78311 rr_2lda 1
152 2 . . . . . . 0.0 -1.8 4.94282 rr_2lda 1
152 3 . . . . . . 0.0 -1.8 4.94282 rr_2lda 1
153 1 . . . . . . 0.0 -1.8 3.29044 rr_2lda 1
154 1 . . . . . . 0.0 -1.8 3.63823 rr_2lda 1
155 1 . . . . . . 0.0 -1.8 3.34134 rr_2lda 1
156 1 . . . . . . 0.0 -1.8 4.34301 rr_2lda 1
157 1 . . . . . . 0.0 -1.8 4.01512 rr_2lda 1
158 1 . . . . . . 0.0 -1.8 4.97233 rr_2lda 1
159 1 . . . . . . 0.0 -1.8 4.96674 rr_2lda 1
160 1 . . . . . . 0.0 -1.8 4.23601 rr_2lda 1
161 1 . . . . . . 0.0 -1.8 4.95975 rr_2lda 1
162 2 . . . . . . 0.0 -1.8 4.65369 rr_2lda 1
162 3 . . . . . . 0.0 -1.8 4.65369 rr_2lda 1
163 2 . . . . . . 0.0 -1.8 4.46595 rr_2lda 1
163 3 . . . . . . 0.0 -1.8 4.46595 rr_2lda 1
164 1 . . . . . . 0.0 -1.8 2.91305 rr_2lda 1
165 1 . . . . . . 0.0 -1.8 3.65816 rr_2lda 1
166 2 . . . . . . 0.0 -1.8 3.11285 rr_2lda 1
166 3 . . . . . . 0.0 -1.8 3.11285 rr_2lda 1
167 1 . . . . . . 0.0 -1.8 4.97847 rr_2lda 1
168 1 . . . . . . 0.0 -1.8 4.98193 rr_2lda 1
169 2 . . . . . . 0.0 -1.8 4.11829 rr_2lda 1
169 3 . . . . . . 0.0 -1.8 4.11829 rr_2lda 1
170 1 . . . . . . 0.0 -1.8 4.68783 rr_2lda 1
171 2 . . . . . . 0.0 -1.8 4.66623 rr_2lda 1
171 3 . . . . . . 0.0 -1.8 4.66623 rr_2lda 1
172 2 . . . . . . 0.0 -1.8 4.76470 rr_2lda 1
172 3 . . . . . . 0.0 -1.8 4.76470 rr_2lda 1
173 1 . . . . . . 0.0 -1.8 3.04245 rr_2lda 1
174 1 . . . . . . 0.0 -1.8 3.70501 rr_2lda 1
175 1 . . . . . . 0.0 -1.8 3.24150 rr_2lda 1
176 1 . . . . . . 0.0 -1.8 3.15098 rr_2lda 1
177 1 . . . . . . 0.0 -1.8 4.58168 rr_2lda 1
178 1 . . . . . . 0.0 -1.8 3.16692 rr_2lda 1
179 1 . . . . . . 0.0 -1.8 4.58018 rr_2lda 1
180 1 . . . . . . 0.0 -1.8 3.63564 rr_2lda 1
181 1 . . . . . . 0.0 -1.8 3.19330 rr_2lda 1
182 1 . . . . . . 0.0 -1.8 4.26925 rr_2lda 1
183 1 . . . . . . 0.0 -1.8 4.35486 rr_2lda 1
184 1 . . . . . . 0.0 -1.8 4.13274 rr_2lda 1
185 1 . . . . . . 0.0 -1.8 4.98271 rr_2lda 1
186 1 . . . . . . 0.0 -1.8 4.38828 rr_2lda 1
187 1 . . . . . . 0.0 -1.8 4.52138 rr_2lda 1
188 1 . . . . . . 0.0 -1.8 4.77084 rr_2lda 1
189 2 . . . . . . 0.0 -1.8 3.97332 rr_2lda 1
189 3 . . . . . . 0.0 -1.8 3.97332 rr_2lda 1
190 2 . . . . . . 0.0 -1.8 4.94885 rr_2lda 1
190 3 . . . . . . 0.0 -1.8 4.94885 rr_2lda 1
191 2 . . . . . . 0.0 -1.8 4.08714 rr_2lda 1
191 3 . . . . . . 0.0 -1.8 4.08714 rr_2lda 1
192 1 . . . . . . 0.0 -1.8 3.01624 rr_2lda 1
193 1 . . . . . . 0.0 -1.8 3.66889 rr_2lda 1
194 1 . . . . . . 0.0 -1.8 3.81959 rr_2lda 1
195 1 . . . . . . 0.0 -1.8 3.37667 rr_2lda 1
196 2 . . . . . . 0.0 -1.8 4.22143 rr_2lda 1
196 3 . . . . . . 0.0 -1.8 4.22143 rr_2lda 1
197 1 . . . . . . 0.0 -1.8 4.93481 rr_2lda 1
198 1 . . . . . . 0.0 -1.8 4.54039 rr_2lda 1
199 1 . . . . . . 0.0 -1.8 4.71650 rr_2lda 1
200 1 . . . . . . 0.0 -1.8 4.84636 rr_2lda 1
201 1 . . . . . . 0.0 -1.8 3.00422 rr_2lda 1
202 1 . . . . . . 0.0 -1.8 3.51348 rr_2lda 1
203 1 . . . . . . 0.0 -1.8 3.78340 rr_2lda 1
204 1 . . . . . . 0.0 -1.8 4.25701 rr_2lda 1
205 1 . . . . . . 0.0 -1.8 4.86900 rr_2lda 1
206 1 . . . . . . 0.0 -1.8 4.92788 rr_2lda 1
207 1 . . . . . . 0.0 -1.8 3.47600 rr_2lda 1
208 1 . . . . . . 0.0 -1.8 3.72917 rr_2lda 1
209 1 . . . . . . 0.0 -1.8 4.62665 rr_2lda 1
210 1 . . . . . . 0.0 -1.8 4.32430 rr_2lda 1
211 1 . . . . . . 0.0 -1.8 4.19508 rr_2lda 1
212 1 . . . . . . 0.0 -1.8 4.21495 rr_2lda 1
213 1 . . . . . . 0.0 -1.8 4.67673 rr_2lda 1
214 1 . . . . . . 0.0 -1.8 3.45063 rr_2lda 1
215 1 . . . . . . 0.0 -1.8 4.36163 rr_2lda 1
216 1 . . . . . . 0.0 -1.8 3.59242 rr_2lda 1
217 1 . . . . . . 0.0 -1.8 4.88175 rr_2lda 1
218 1 . . . . . . 0.0 -1.8 4.97819 rr_2lda 1
219 1 . . . . . . 0.0 -1.8 4.31812 rr_2lda 1
220 1 . . . . . . 0.0 -1.8 4.72798 rr_2lda 1
221 1 . . . . . . 0.0 -1.8 4.69393 rr_2lda 1
222 1 . . . . . . 0.0 -1.8 4.68280 rr_2lda 1
223 1 . . . . . . 0.0 -1.8 4.83189 rr_2lda 1
224 1 . . . . . . 0.0 -1.8 3.87427 rr_2lda 1
225 1 . . . . . . 0.0 -1.8 4.29309 rr_2lda 1
226 2 . . . . . . 0.0 -1.8 4.92121 rr_2lda 1
226 3 . . . . . . 0.0 -1.8 4.92121 rr_2lda 1
227 2 . . . . . . 0.0 -1.8 3.60360 rr_2lda 1
227 3 . . . . . . 0.0 -1.8 3.60360 rr_2lda 1
228 2 . . . . . . 0.0 -1.8 4.08257 rr_2lda 1
228 3 . . . . . . 0.0 -1.8 4.08257 rr_2lda 1
229 2 . . . . . . 0.0 -1.8 4.46362 rr_2lda 1
229 3 . . . . . . 0.0 -1.8 4.46362 rr_2lda 1
230 2 . . . . . . 0.0 -1.8 4.71515 rr_2lda 1
230 3 . . . . . . 0.0 -1.8 4.71515 rr_2lda 1
231 1 . . . . . . 0.0 -1.8 4.92894 rr_2lda 1
232 1 . . . . . . 0.0 -1.8 4.53409 rr_2lda 1
233 1 . . . . . . 0.0 -1.8 4.46389 rr_2lda 1
234 1 . . . . . . 0.0 -1.8 4.98019 rr_2lda 1
235 1 . . . . . . 0.0 -1.8 4.86299 rr_2lda 1
236 1 . . . . . . 0.0 -1.8 4.83558 rr_2lda 1
237 1 . . . . . . 0.0 -1.8 3.80962 rr_2lda 1
238 1 . . . . . . 0.0 -1.8 4.74928 rr_2lda 1
239 1 . . . . . . 0.0 -1.8 4.35378 rr_2lda 1
240 2 . . . . . . 0.0 -1.8 4.80755 rr_2lda 1
240 3 . . . . . . 0.0 -1.8 4.80755 rr_2lda 1
241 1 . . . . . . 0.0 -1.8 4.34480 rr_2lda 1
242 1 . . . . . . 0.0 -1.8 4.06651 rr_2lda 1
243 1 . . . . . . 0.0 -1.8 4.94228 rr_2lda 1
244 1 . . . . . . 0.0 -1.8 4.25547 rr_2lda 1
245 2 . . . . . . 0.0 -1.8 4.89019 rr_2lda 1
245 3 . . . . . . 0.0 -1.8 4.89019 rr_2lda 1
246 1 . . . . . . 0.0 -1.8 4.10297 rr_2lda 1
247 1 . . . . . . 0.0 -1.8 4.25187 rr_2lda 1
248 1 . . . . . . 0.0 -1.8 4.87161 rr_2lda 1
249 1 . . . . . . 0.0 -1.8 4.19799 rr_2lda 1
250 2 . . . . . . 0.0 -1.8 4.94106 rr_2lda 1
250 3 . . . . . . 0.0 -1.8 4.94106 rr_2lda 1
251 1 . . . . . . 0.0 -1.8 4.40825 rr_2lda 1
252 1 . . . . . . 0.0 -1.8 3.59598 rr_2lda 1
253 1 . . . . . . 0.0 -1.8 3.86125 rr_2lda 1
254 1 . . . . . . 0.0 -1.8 4.90602 rr_2lda 1
255 1 . . . . . . 0.0 -1.8 4.65382 rr_2lda 1
256 1 . . . . . . 0.0 -1.8 4.58680 rr_2lda 1
257 1 . . . . . . 0.0 -1.8 4.95925 rr_2lda 1
258 1 . . . . . . 0.0 -1.8 3.85328 rr_2lda 1
259 2 . . . . . . 0.0 -1.8 4.56774 rr_2lda 1
259 3 . . . . . . 0.0 -1.8 4.56774 rr_2lda 1
260 1 . . . . . . 0.0 -1.8 4.81454 rr_2lda 1
261 1 . . . . . . 0.0 -1.8 4.80348 rr_2lda 1
262 1 . . . . . . 0.0 -1.8 3.72288 rr_2lda 1
263 1 . . . . . . 0.0 -1.8 4.67983 rr_2lda 1
264 1 . . . . . . 0.0 -1.8 4.70238 rr_2lda 1
265 1 . . . . . . 0.0 -1.8 3.56591 rr_2lda 1
266 1 . . . . . . 0.0 -1.8 4.60023 rr_2lda 1
267 2 . . . . . . 0.0 -1.8 4.97258 rr_2lda 1
267 3 . . . . . . 0.0 -1.8 4.97258 rr_2lda 1
268 2 . . . . . . 0.0 -1.8 4.40430 rr_2lda 1
268 3 . . . . . . 0.0 -1.8 4.40430 rr_2lda 1
269 1 . . . . . . 0.0 -1.8 4.46271 rr_2lda 1
270 1 . . . . . . 0.0 -1.8 4.81379 rr_2lda 1
271 1 . . . . . . 0.0 -1.8 4.96923 rr_2lda 1
272 1 . . . . . . 0.0 -1.8 4.63474 rr_2lda 1
273 1 . . . . . . 0.0 -1.8 3.90865 rr_2lda 1
274 1 . . . . . . 0.0 -1.8 4.79091 rr_2lda 1
275 1 . . . . . . 0.0 -1.8 4.94920 rr_2lda 1
276 1 . . . . . . 0.0 -1.8 4.44427 rr_2lda 1
277 1 . . . . . . 0.0 -1.8 4.44611 rr_2lda 1
278 1 . . . . . . 0.0 -1.8 4.96007 rr_2lda 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;File: p145c_intraresidue.txt
Description: intraresidue NOE restraints from NMRSwarm calculation in X-PLOR/CNS format.
Note: the force value following each entry describes the individual weighting applied
to that restraint. This value is a measure of the confidence of the NOE distance
restraint assignment. Individual force constants are not available in X-PLOR/CNS.
Disclaimer: these restraints have not been tested in either X-PLOR or CNS.
;
1 1 6 77 rr_2lda 1
2 "force: 0.359895" 8 71 8 88 rr_2lda 1
3 "force: 0.126515" 9 73 9 90 rr_2lda 1
4 "force: 0.436414" 10 73 10 90 rr_2lda 1
5 "force: 0.256737" 11 73 11 90 rr_2lda 1
6 "force: 0.289599" 12 73 12 90 rr_2lda 1
7 "force: 0.0928691" 13 73 13 91 rr_2lda 1
8 "force: 0.24323" 14 73 14 89 rr_2lda 1
9 "force: 0.0775131" 15 74 15 92 rr_2lda 1
10 "force: 0.133713" 16 74 16 91 rr_2lda 1
11 "force: 0.123353" 17 74 17 91 rr_2lda 1
12 "force: 0.156394" 18 72 18 89 rr_2lda 1
13 "force: 0.213807" 19 73 19 90 rr_2lda 1
14 "force: 0.0666185" 20 73 20 91 rr_2lda 1
15 "force: 0.409005" 21 73 21 90 rr_2lda 1
16 "force: 0.128017" 22 72 22 89 rr_2lda 1
17 "force: 0.0689932" 23 71 23 89 rr_2lda 1
18 "force: 0.287867" 24 73 24 90 rr_2lda 1
19 "force: 0.155914" 25 73 25 90 rr_2lda 1
20 "force: 0.0584289" 26 74 26 92 rr_2lda 1
21 "force: 0.117562" 27 74 27 91 rr_2lda 1
22 "force: 0.370271" 28 73 28 90 rr_2lda 1
23 "force: 0.118087" 29 73 29 90 rr_2lda 1
24 "force: 0.0637188" 30 73 30 91 rr_2lda 1
25 "force: 0.163765" 31 74 31 91 rr_2lda 1
26 "force: 0.303136" 32 73 32 90 rr_2lda 1
27 "force: 0.122779" 33 73 33 90 rr_2lda 1
28 "force: 0.0672591" 34 74 34 92 rr_2lda 1
29 "force: 0.110534" 35 73 35 90 rr_2lda 1
30 "force: 0.0778372" 36 74 36 92 rr_2lda 1
31 "force: 0.055283" 37 74 37 91 rr_2lda 1
32 "force: 0.0937007" 38 74 38 92 rr_2lda 1
33 "force: 0.183584" 39 74 39 91 rr_2lda 1
34 "force: 0.0441526" 40 74 40 92 rr_2lda 1
35 "force: 0.0242631" 41 74 41 92 rr_2lda 1
36 "force: 0.053574" 42 74 42 91 rr_2lda 1
37 "force: 0.095053" 43 74 43 91 rr_2lda 1
38 "force: 0.184115" 44 74 44 91 rr_2lda 1
39 "force: 0.0434514" 45 74 45 92 rr_2lda 1
40 "force: 0.0796631" 46 74 46 92 rr_2lda 1
41 "force: 0.203696" 47 74 47 91 rr_2lda 1
42 "force: 0.262436" 48 74 48 91 rr_2lda 1
43 "force: 0.035203" 49 76 49 93 rr_2lda 1
44 "force: 0.31137" 50 73 50 89 rr_2lda 1
45 "force: 0.0843644" 51 76 51 94 rr_2lda 1
46 "force: 0.142549" 52 76 52 93 rr_2lda 1
47 "force: 0.21498" 53 74 53 90 rr_2lda 1
48 "force: 0.18298" 54 76 54 92 rr_2lda 1
49 "force: 0.228599" 55 76 55 93 rr_2lda 1
50 "force: 0.0635433" 56 76 56 94 rr_2lda 1
51 "force: 0.138381" 57 74 57 91 rr_2lda 1
52 "force: 0.0258698" 58 76 58 94 rr_2lda 1
53 "force: 0.022084" 59 76 59 93 rr_2lda 1
54 "force: 0.0631139" 60 76 60 94 rr_2lda 1
55 "force: 0.0230713" 61 76 61 94 rr_2lda 1
56 "force: 0.0303897" 62 76 62 94 rr_2lda 1
57 "force: 0.0772124" 63 76 63 94 rr_2lda 1
58 "force: 0.182094" 64 76 64 93 rr_2lda 1
59 "force: 0.0191554" 65 76 65 94 rr_2lda 1
60 "force: 0.586271" 66 74 66 91 rr_2lda 1
61 "force: 0.0643283" 67 76 67 94 rr_2lda 1
62 "force: 0.304246" 68 76 68 93 rr_2lda 1
63 "force: 0.401794" 69 76 69 93 rr_2lda 1
64 "force: 0.0685871" 70 76 70 94 rr_2lda 1
65 "force: 0.0565007" 71 76 71 94 rr_2lda 1
66 "force: 0.197006" 72 75 72 92 rr_2lda 1
67 "force: 0.173448" 73 75 73 92 rr_2lda 1
68 "force: 0.864457" 74 75 74 92 rr_2lda 1
69 "force: 0.128643" 75 75 75 92 rr_2lda 1
70 "force: 0.185663" 76 75 76 92 rr_2lda 1
71 "force: 0.38846" 77 75 77 91 rr_2lda 1
72 "force: 0.116105" 78 72 78 89 rr_2lda 1
73 "force: 0.0715111" 79 73 79 91 rr_2lda 1
74 "force: 0.0675119" 80 73 80 91 rr_2lda 1
75 "force: 0.177255" 81 73 81 90 rr_2lda 1
76 "force: 0.186064" 82 73 82 90 rr_2lda 1
77 "force: 0.023477" 83 74 83 91 rr_2lda 1
78 "force: 0.0821295" 84 72 84 90 rr_2lda 1
79 "force: 0.0780104" 85 72 85 90 rr_2lda 1
80 "force: 0.0360765" 86 73 86 91 rr_2lda 1
81 "force: 0.0998295" 87 74 87 92 rr_2lda 1
82 "force: 0.102252" 88 74 88 91 rr_2lda 1
83 "force: 0.0178937" 89 75 89 93 rr_2lda 1
84 "force: 0.1015" 90 75 90 90 rr_2lda 1
85 "force: 0.0181007" 91 74 91 92 rr_2lda 1
86 "force: 0.170962" 92 74 92 91 rr_2lda 1
87 "force: 0.166538" 93 73 93 90 rr_2lda 1
88 "force: 0.0278447" 94 75 94 93 rr_2lda 1
89 "force: 0.16305" 95 75 95 91 rr_2lda 1
90 "force: 0.0283429" 96 74 96 92 rr_2lda 1
91 "force: 0.321364" 97 72 97 89 rr_2lda 1
92 "force: 0.341474" 98 73 98 90 rr_2lda 1
93 "force: 0.504596" 99 73 99 90 rr_2lda 1
94 "force: 0.226556" 100 73 100 90 rr_2lda 1
95 "force: 0.591116" 101 73 101 90 rr_2lda 1
96 "force: 0.610983" 102 74 102 91 rr_2lda 1
97 "force: 0.33167" 103 74 103 90 rr_2lda 1
98 "force: 0.116874" 104 74 104 91 rr_2lda 1
99 "force: 0.222019" 105 72 105 89 rr_2lda 1
100 "force: 0.224707" 106 73 106 90 rr_2lda 1
101 "force: 0.0942829" 107 73 107 91 rr_2lda 1
102 "force: 0.752014" 108 73 108 90 rr_2lda 1
103 "force: 0.333122" 109 73 109 90 rr_2lda 1
104 "force: 0.0977054" 110 74 110 92 rr_2lda 1
105 "force: 0.424434" 111 73 111 90 rr_2lda 1
106 "force: 0.216725" 112 73 112 90 rr_2lda 1
107 "force: 0.0989655" 113 74 113 92 rr_2lda 1
108 "force: 0.483449" 114 73 114 90 rr_2lda 1
109 "force: 0.143945" 115 73 115 90 rr_2lda 1
110 "force: 0.0902354" 116 74 116 92 rr_2lda 1
111 "force: 0.217193" 117 74 117 91 rr_2lda 1
112 "force: 0.0536121" 118 75 118 93 rr_2lda 1
113 "force: 0.141456" 119 75 119 92 rr_2lda 1
114 "force: 0.0344908" 120 75 120 93 rr_2lda 1
115 "force: 0.0258697" 121 75 121 93 rr_2lda 1
116 "force: 0.229006" 122 75 122 92 rr_2lda 1
117 "force: 0.747511" 123 75 123 92 rr_2lda 1
118 "force: 0.550029" 124 75 124 92 rr_2lda 1
119 "force: 0.444336" 125 75 125 92 rr_2lda 1
120 "force: 0.203068" 126 76 126 93 rr_2lda 1
121 "force: 0.137088" 127 74 127 91 rr_2lda 1
122 "force: 0.213748" 128 74 128 91 rr_2lda 1
123 "force: 0.0195936" 129 76 129 94 rr_2lda 1
124 "force: 0.302448" 130 74 130 91 rr_2lda 1
125 "force: 0.0416841" 131 76 131 94 rr_2lda 1
126 "force: 0.0895227" 132 76 132 94 rr_2lda 1
127 "force: 0.235087" 133 74 133 91 rr_2lda 1
128 "force: 0.0517447" 134 76 134 94 rr_2lda 1
129 "force: 0.0492183" 135 76 135 94 rr_2lda 1
130 "force: 0.355267" 136 74 136 91 rr_2lda 1
131 "force: 0.0795154" 137 76 137 94 rr_2lda 1
132 "force: 0.0729986" 138 76 138 94 rr_2lda 1
133 "force: 0.0491349" 139 76 139 94 rr_2lda 1
134 "force: 0.0552514" 140 76 140 94 rr_2lda 1
135 "force: 0.103871" 141 74 141 91 rr_2lda 1
136 "force: 0.0163293" 142 76 142 94 rr_2lda 1
137 "force: 0.0392445" 143 76 143 94 rr_2lda 1
138 "force: 0.0372559" 144 76 144 94 rr_2lda 1
139 "force: 0.057436" 145 76 145 93 rr_2lda 1
140 "force: 0.198654" 146 74 146 91 rr_2lda 1
141 "force: 0.017205" 147 76 147 93 rr_2lda 1
142 "force: 0.0783217" 148 76 148 94 rr_2lda 1
143 "force: 0.04372" 149 76 149 92 rr_2lda 1
144 "force: 0.0649195" 150 76 150 94 rr_2lda 1
145 "force: 0.0148072" 151 76 151 94 rr_2lda 1
146 "force: 0.128067" 152 75 152 92 rr_2lda 1
147 "force: 0.210103" 153 75 153 92 rr_2lda 1
148 "force: 0.208909" 154 75 154 92 rr_2lda 1
149 "force: 0.252184" 155 75 155 92 rr_2lda 1
150 "force: 0.367531" 156 75 156 92 rr_2lda 1
151 "force: 0.131198" 157 74 157 91 rr_2lda 1
152 "force: 0.183147" 158 75 158 92 rr_2lda 1
153 "force: 0.171622" 159 72 159 89 rr_2lda 1
154 "force: 0.205752" 160 73 160 90 rr_2lda 1
155 "force: 0.0705982" 161 73 161 91 rr_2lda 1
156 "force: 0.257167" 162 73 162 90 rr_2lda 1
157 "force: 0.0786387" 163 73 163 91 rr_2lda 1
158 "force: 0.034659" 164 74 164 91 rr_2lda 1
159 "force: 0.190823" 165 72 165 89 rr_2lda 1
160 "force: 0.0551958" 166 72 166 90 rr_2lda 1
161 "force: 0.0285933" 167 73 167 91 rr_2lda 1
162 "force: 0.28261" 168 74 168 90 rr_2lda 1
163 "force: 0.12257" 169 73 169 89 rr_2lda 1
164 "force: 0.0759435" 170 75 170 93 rr_2lda 1
165 "force: 0.0450765" 171 75 171 93 rr_2lda 1
166 "force: 0.0417433" 172 74 172 92 rr_2lda 1
167 "force: 0.196463" 173 74 173 91 rr_2lda 1
168 "force: 0.102452" 174 74 174 91 rr_2lda 1
169 "force: 0.0278244" 175 75 175 93 rr_2lda 1
170 "force: 0.0286641" 176 75 176 93 rr_2lda 1
171 "force: 0.0253401" 177 74 177 92 rr_2lda 1
172 "force: 0.0104506" 178 76 178 94 rr_2lda 1
173 "force: 0.215791" 179 72 179 89 rr_2lda 1
174 "force: 0.0905419" 180 73 180 91 rr_2lda 1
175 "force: 0.0686633" 181 73 181 91 rr_2lda 1
176 "force: 0.232637" 182 73 182 90 rr_2lda 1
177 "force: 0.114526" 183 73 183 90 rr_2lda 1
178 "force: 0.0311047" 184 74 184 92 rr_2lda 1
179 "force: 0.318456" 185 72 185 89 rr_2lda 1
180 "force: 0.0996407" 186 73 186 91 rr_2lda 1
181 "force: 0.0733599" 187 74 187 92 rr_2lda 1
182 "force: 0.146129" 188 74 188 91 rr_2lda 1
183 "force: 0.0582115" 189 75 189 93 rr_2lda 1
184 "force: 0.106963" 190 75 190 92 rr_2lda 1
185 "force: 0.0176296" 191 75 191 93 rr_2lda 1
186 "force: 0.354014" 192 74 192 91 rr_2lda 1
187 "force: 0.228494" 193 76 193 93 rr_2lda 1
188 "force: 0.464755" 194 74 194 91 rr_2lda 1
189 "force: 0.91924" 195 75 195 91 rr_2lda 1
190 "force: 0.294727" 196 75 196 92 rr_2lda 1
191 "force: 0.683246" 197 75 197 92 rr_2lda 1
192 "force: 0.309327" 198 75 198 92 rr_2lda 1
193 "force: 0.542781" 199 76 199 93 rr_2lda 1
194 "force: 0.172111" 200 74 200 91 rr_2lda 1
195 "force: 0.199" 201 75 201 89 rr_2lda 1
196 "force: 0.163566" 202 75 202 92 rr_2lda 1
197 "force: 0.107194" 203 75 203 92 rr_2lda 1
198 "force: 0.0942472" 204 75 204 93 rr_2lda 1
199 "force: 0.0107708" 205 76 205 94 rr_2lda 1
200
;force: 0.491665
File: p145c_long-range.txt
Description: long-range NOE restraints from NMRSwarm calculation in X-PLOR/CNS format.
Note: the force value following each entry describes the individual weighting applied
to that restraint. This value is a measure of the confidence of the NOE distance
restraint assignment. Individual force constants are not available in X-PLOR/CNS.
Disclaimer: these restraints have not been tested in either X-PLOR or CNS.
File: p145c_sequential.txt
Description: sequential NOE restraints from NMRSwarm calculation in X-PLOR/CNS format.
Note: the force value following each entry describes the individual weighting applied
to that restraint. This value is a measure of the confidence of the NOE distance
restraint assignment. Individual force constants are not available in X-PLOR/CNS.
Disclaimer: these restraints have not been tested in either X-PLOR or CNS.
;
206 76 219 77 rr_2lda 1
201 "force: 0.120749" 221 72 221 89 rr_2lda 1
202 "force: 0.245048" 222 73 222 90 rr_2lda 1
203 "force: 0.148655" 223 74 223 91 rr_2lda 1
204 "force: 0.126419" 224 74 224 91 rr_2lda 1
205 "force: 0.233742" 225 72 225 89 rr_2lda 1
206 "force: 0.329053" 226 73 226 90 rr_2lda 1
207 "force: 0.297859" 227 73 227 90 rr_2lda 1
208 "force: 0.102604" 228 72 228 89 rr_2lda 1
209 "force: 0.194763" 229 73 229 90 rr_2lda 1
210 "force: 0.0467509" 230 74 230 92 rr_2lda 1
211 "force: 0.676557" 231 72 231 89 rr_2lda 1
212 "force: 0.207329" 232 72 232 89 rr_2lda 1
213 "force: 0.196172" 233 73 233 90 rr_2lda 1
214 "force: 0.393037" 234 73 234 90 rr_2lda 1
215 "force: 0.267667" 235 73 235 90 rr_2lda 1
216 "force: 0.249545" 236 73 236 90 rr_2lda 1
217 "force: 0.0591177" 237 75 237 93 rr_2lda 1
218 "force: 0.0635146" 238 75 238 93 rr_2lda 1
219 "force: 0.27557" 239 74 239 90 rr_2lda 1
220 "force: 0.1142" 240 74 240 89 rr_2lda 1
221 "force: 0.0806" 241 75 241 90 rr_2lda 1
222 "force: 0.155353" 242 74 242 91 rr_2lda 1
223 "force: 0.131582" 243 75 243 92 rr_2lda 1
224 "force: 0.32043" 244 72 244 88 rr_2lda 1
225 "force: 0.113409" 245 74 245 91 rr_2lda 1
226 "force: 0.118573" 246 74 246 91 rr_2lda 1
227 "force: 0.168068" 247 74 247 91 rr_2lda 1
228 "force: 0.345945" 248 74 248 91 rr_2lda 1
229 "force: 0.0555935" 249 74 249 92 rr_2lda 1
230 "force: 0.104179" 250 74 250 91 rr_2lda 1
231 "force: 0.251761" 251 72 251 89 rr_2lda 1
232 "force: 0.139819" 252 73 252 90 rr_2lda 1
233 "force: 0.167645" 253 74 253 91 rr_2lda 1
234 "force: 0.0861782" 254 74 254 92 rr_2lda 1
235 "force: 0.293405" 255 73 255 90 rr_2lda 1
236 "force: 0.0327127" 256 75 256 93 rr_2lda 1
237 "force: 0.0228036" 257 75 257 93 rr_2lda 1
238 "force: 0.0385223" 258 75 258 93 rr_2lda 1
239 "force: 0.187563" 259 75 259 92 rr_2lda 1
240 "force: 0.023627" 260 76 260 93 rr_2lda 1
241 "force: 0.126297" 261 76 261 93 rr_2lda 1
242 "force: 0.125123" 262 75 262 92 rr_2lda 1
243 "force: 0.0555432" 263 76 263 94 rr_2lda 1
244 "force: 0.178236" 264 76 264 93 rr_2lda 1
245 "force: 0.203453" 265 72 265 89 rr_2lda 1
246 "force: 0.116198" 266 73 266 90 rr_2lda 1
247 "force: 0.302381" 267 73 267 90 rr_2lda 1
248 "force: 0.196895" 268 74 268 91 rr_2lda 1
249 "force: 0.308762" 269 74 269 91 rr_2lda 1
250 "force: 0.266865" 270 72 270 89 rr_2lda 1
251 "force: 0.181353" 271 73 271 90 rr_2lda 1
252 "force: 0.526423" 272 74 272 91 rr_2lda 1
253 "force: 0.214594" 273 73 273 90 rr_2lda 1
254 "force: 0.177197" 274 74 274 91 rr_2lda 1
255 "force: 0.548767" 275 72 275 89 rr_2lda 1
256 "force: 0.644371" 276 72 276 89 rr_2lda 1
257 "force: 0.921703" 277 73 277 90 rr_2lda 1
258 "force: 0.487829" 278 73 278 90 rr_2lda 1
259 "force: 0.0547566" 279 72 279 90 rr_2lda 1
260 "force: 0.406364" 280 73 280 90 rr_2lda 1
261 "force: 0.398404" 281 73 281 90 rr_2lda 1
262 "force: 0.804263" 282 74 282 91 rr_2lda 1
263 "force: 0.421249" 283 73 283 90 rr_2lda 1
264 "force: 0.794553" 284 72 284 89 rr_2lda 1
265 "force: 0.190781" 285 72 285 89 rr_2lda 1
266 "force: 0.195568" 286 72 286 89 rr_2lda 1
267 "force: 0.699688" 287 73 287 90 rr_2lda 1
268 "force: 0.244916" 288 73 288 90 rr_2lda 1
269 "force: 0.370528" 289 74 289 91 rr_2lda 1
270 "force: 0.130364" 290 74 290 91 rr_2lda 1
271 "force: 0.0892152" 291 75 291 93 rr_2lda 1
272 "force: 0.348352" 292 75 292 92 rr_2lda 1
273 "force: 0.0478142" 293 75 293 93 rr_2lda 1
274 "force: 0.282822" 294 75 294 92 rr_2lda 1
275 "force: 0.150403" 295 75 295 92 rr_2lda 1
276 "force: 0.388754" 296 74 296 91 rr_2lda 1
277 "force: 0.357211" 297 75 297 92 rr_2lda 1
278 "force: 0.0767429" 298 74 298 92 rr_2lda 1
279 "force: 0.038768" 299 75 299 92 rr_2lda 1
280 "force: 0.254725" 300 73 300 90 rr_2lda 1
281 "force: 0.686281" 301 72 301 89 rr_2lda 1
282 "force: 0.190122" 302 74 302 91 rr_2lda 1
283 "force: 0.183404" 303 74 303 91 rr_2lda 1
284 "force: 0.24973" 304 74 304 90 rr_2lda 1
285 "force: 0.222268" 305 74 305 91 rr_2lda 1
286 "force: 0.309939" 306 74 306 91 rr_2lda 1
287 "force: 0.117822" 307 74 307 91 rr_2lda 1
288 "force: 0.0866987" 308 74 308 92 rr_2lda 1
289 "force: 0.0738895" 309 73 309 91 rr_2lda 1
290 "force: 0.088329" 310 74 310 91 rr_2lda 1
291 "force: 0.200569" 311 73 311 90 rr_2lda 1
292 "force: 0.0471651" 312 75 312 93 rr_2lda 1
293 "force: 0.0966" 313 75 313 90 rr_2lda 1
294 "force: 0.185492" 314 72 314 89 rr_2lda 1
295 "force: 0.222949" 315 72 315 89 rr_2lda 1
296 "force: 0.263544" 316 73 316 90 rr_2lda 1
297 "force: 0.199581" 317 72 317 89 rr_2lda 1
298 "force: 0.294017" 318 74 318 91 rr_2lda 1
299 "force: 0.239875" 319 74 319 91 rr_2lda 1
300 "force: 0.0741182" 320 73 320 91 rr_2lda 1
301 "force: 0.112396" 321 74 321 91 rr_2lda 1
302 "force: 0.0617146" 322 74 322 92 rr_2lda 1
303 "force: 0.0668006" 323 74 323 92 rr_2lda 1
304 "force: 0.0555906" 324 73 324 91 rr_2lda 1
305 "force: 0.058593" 325 75 325 92 rr_2lda 1
306 "force: 0.831068" 326 73 326 90 rr_2lda 1
307 "force: 0.276272" 327 73 327 90 rr_2lda 1
308 "force: 0.268436" 328 74 328 91 rr_2lda 1
309 "force: 0.537711" 329 74 329 91 rr_2lda 1
310 "force: 0.231283" 330 74 330 91 rr_2lda 1
311 "force: 0.178256" 331 73 331 90 rr_2lda 1
312 "force: 0.106409" 332 74 332 91 rr_2lda 1
313 "force: 0.224353" 333 73 333 90 rr_2lda 1
314 "force: 0.710252" 334 74 334 91 rr_2lda 1
315 "force: 0.213585" 335 74 335 91 rr_2lda 1
316 "force: 0.165286" 336 74 336 91 rr_2lda 1
317 "force: 0.461156" 337 74 337 91 rr_2lda 1
318 "force: 0.273817" 338 75 338 92 rr_2lda 1
319 "force: 0.320782" 339 72 339 89 rr_2lda 1
320 "force: 0.253324" 340 75 340 92 rr_2lda 1
321 "force: 0.459717" 341 73 341 90 rr_2lda 1
322 "force: 0.338948" 342 75 342 92 rr_2lda 1
323 "force: 0.48353" 343 76 343 92 rr_2lda 1
324 "force: 0.237611" 344 75 344 92 rr_2lda 1
325 "force: 0.440662" 345 75 345 92 rr_2lda 1
326 "force: 0.455332" 346 75 346 92 rr_2lda 1
327
;force: 0.281456
File: p145c_short-range.txt
Description: short-range NOE restraints from NMRSwarm calculation in X-PLOR/CNS format.
Note: the force value following each entry describes the individual weighting applied
to that restraint. This value is a measure of the confidence of the NOE distance
restraint assignment. Individual force constants are not available in X-PLOR/CNS.
Disclaimer: these restraints have not been tested in either X-PLOR or CNS.
;
347 76 353 77 rr_2lda 1
328 "force: 0.162353" 355 73 355 90 rr_2lda 1
329 "force: 0.0953437" 356 74 356 92 rr_2lda 1
330 "force: 0.358422" 357 73 357 90 rr_2lda 1
331 "force: 0.652285" 358 72 358 89 rr_2lda 1
332 "force: 0.516361" 359 72 359 89 rr_2lda 1
333 "force: 0.0523868" 360 75 360 93 rr_2lda 1
334 "force: 0.187364" 361 73 361 90 rr_2lda 1
335 "force: 0.285573" 362 72 362 89 rr_2lda 1
336 "force: 0.352437" 363 72 363 89 rr_2lda 1
337 "force: 0.154965" 364 72 364 89 rr_2lda 1
338 "force: 0.425897" 365 73 365 90 rr_2lda 1
339 "force: 0.195418" 366 72 366 89 rr_2lda 1
340 "force: 0.542311" 367 72 367 89 rr_2lda 1
341 "force: 0.261374" 368 74 368 91 rr_2lda 1
342 "force: 0.621635" 369 73 369 90 rr_2lda 1
343 "force: 0.382053" 370 72 370 89 rr_2lda 1
344 "force: 0.186911" 371 74 371 91 rr_2lda 1
345 "force: 0.424519" 372 74 372 91 rr_2lda 1
346 "force: 0.416462" 373 74 373 91 rr_2lda 1
347 "force: 0.364783" 374 75 374 92 rr_2lda 1
348 "force: 0.266119" 375 72 375 89 rr_2lda 1
349 "force: 0.416819" 376 74 376 91 rr_2lda 1
350 "force: 0.407371" 377 72 377 89 rr_2lda 1
351 "force: 0.394414" 378 72 378 89 rr_2lda 1
352 "force: 0.145121" 379 74 379 91 rr_2lda 1
353 "force: 0.0845243" 380 74 380 92 rr_2lda 1
354 "force: 0.387898" 381 74 381 91 rr_2lda 1
355 "force: 0.0818916" 382 75 382 93 rr_2lda 1
356 "force: 0.178836" 383 73 383 90 rr_2lda 1
357 "force: 0.066374" 384 74 384 91 rr_2lda 1
358 "force: 0.24802" 385 75 385 91 rr_2lda 1
359 "force: 0.0722867" 386 74 386 92 rr_2lda 1
360 "force: 0.136749" 387 75 387 92 rr_2lda 1
361 "force: 0.14976" 388 76 388 92 rr_2lda 1
362 "force: 0.373855" 389 76 389 93 rr_2lda 1
363 "force: 0.329119" 390 74 390 91 rr_2lda 1
364 "force: 0.194834" 391 74 391 91 rr_2lda 1
365 "force: 0.375077" 392 72 392 89 rr_2lda 1
366 "force: 0.0996704" 393 74 393 92 rr_2lda 1
367 "force: 0.549991" 394 72 394 89 rr_2lda 1
368 "force: 0.714425" 395 73 395 90 rr_2lda 1
369 "force: 0.0285643" 396 76 396 94 rr_2lda 1
370 "force: 0.0905161" 397 74 397 92 rr_2lda 1
371 "force: 0.0187941" 398 76 398 94 rr_2lda 1
372 "force: 0.0292148" 399 76 399 94 rr_2lda 1
373 "force: 0.0255006" 400 76 400 94 rr_2lda 1
374 "force: 0.125998" 401 74 401 91 rr_2lda 1
375 "force: 0.0181201" 402 74 402 92 rr_2lda 1
376 "force: 0.037768" 403 76 403 93 rr_2lda 1
377 "force: 0.0283751" 404 76 404 94 rr_2lda 1
378 "force: 0.16548" 405 76 405 92 rr_2lda 1
379 "force: 0.158749" 406 75 406 92 rr_2lda 1
380 "force: 0.130791" 407 74 407 91 rr_2lda 1
381 "force: 0.121652" 408 74 408 91 rr_2lda 1
382 "force: 0.045857" 409 74 409 91 rr_2lda 1
383 "force: 0.013201" 410 76 410 93 rr_2lda 1
384 "force: 0.0259908" 411 76 411 94 rr_2lda 1
385 "force: 0.193798" 412 74 412 91 rr_2lda 1
386 "force: 0.0413929" 413 76 413 94 rr_2lda 1
387 "force: 0.038924" 414 76 414 93 rr_2lda 1
388 "force: 0.231298" 415 76 415 93 rr_2lda 1
389 "force: 0.270962" 416 74 416 91 rr_2lda 1
390 "force: 0.179355" 417 74 417 91 rr_2lda 1
391 "force: 0.0392317" 418 76 418 94 rr_2lda 1
392 "force: 0.0543346" 419 76 419 94 rr_2lda 1
393 "force: 0.0401741" 420 76 420 94 rr_2lda 1
394 "force: 0.0896888" 421 75 421 93 rr_2lda 1
395 "force: 0.0671169" 422 74 422 92 rr_2lda 1
396 "force: 0.0131787" 423 76 423 94 rr_2lda 1
397 "force: 0.0235361" 424 76 424 94 rr_2lda 1
398 "force: 0.0749066" 425 75 425 93 rr_2lda 1
399 "force: 0.0844714" 426 74 426 92 rr_2lda 1
400 "force: 0.112558" 427 74 427 91 rr_2lda 1
401 "force: 0.0158976" 428 74 428 92 rr_2lda 1
402 "force: 0.0358895" 429 76 429 94 rr_2lda 1
403 "force: 0.152214" 430 74 430 91 rr_2lda 1
404 "force: 0.435961" 431 75 431 92 rr_2lda 1
405 "force: 0.0801178" 432 75 432 93 rr_2lda 1
406 "force: 0.212077" 433 75 433 92 rr_2lda 1
407 "force: 0.352562" 434 75 434 92 rr_2lda 1
408 "force: 0.227939" 435 74 435 91 rr_2lda 1
409 "force: 0.42508" 436 73 436 89 rr_2lda 1
410 "force: 0.153621" 437 75 437 92 rr_2lda 1
411 "force: 0.337478" 438 71 438 88 rr_2lda 1
412 "force: 0.185959" 439 74 439 91 rr_2lda 1
413 "force: 0.0287844" 440 72 440 90 rr_2lda 1
414 "force: 0.730799" 441 72 441 89 rr_2lda 1
415 "force: 0.530103" 442 73 442 90 rr_2lda 1
416 "force: 0.150568" 443 72 443 89 rr_2lda 1
417 "force: 0.258455" 444 72 444 89 rr_2lda 1
418 "force: 0.435662" 445 73 445 90 rr_2lda 1
419 "force: 0.253843" 446 73 446 90 rr_2lda 1
420 "force: 0.239909" 447 74 447 91 rr_2lda 1
421 "force: 0.0275435" 448 73 448 91 rr_2lda 1
422 "force: 0.0287196" 449 75 449 93 rr_2lda 1
423 "force: 0.205507" 450 73 450 90 rr_2lda 1
424 "force: 0.148308" 451 73 451 90 rr_2lda 1
425 "force: 0.0239553" 452 74 452 92 rr_2lda 1
426 "force: 0.0232379" 453 75 453 93 rr_2lda 1
427 "force: 0.0136411" 454 76 454 94 rr_2lda 1
428 "force: 0.32391" 455 74 455 90 rr_2lda 1
429 "force: 0.279656" 456 75 456 92 rr_2lda 1
430 "force: 0.217052" 457 75 457 92 rr_2lda 1
431 "force: 0.753424" 458 72 458 89 rr_2lda 1
432 "force: 0.275237" 459 72 459 89 rr_2lda 1
433 "force: 0.687182" 460 72 460 89 rr_2lda 1
434 "force: 0.25819" 461 73 461 89 rr_2lda 1
435 "force: 0.0979167" 462 73 462 91 rr_2lda 1
436 "force: 0.17429" 463 73 463 89 rr_2lda 1
437 "force: 0.0290673" 464 74 464 92 rr_2lda 1
438 "force: 0.10596" 465 74 465 90 rr_2lda 1
439 "force: 0.115502" 466 72 466 89 rr_2lda 1
440 "force: 0.390163" 467 73 467 90 rr_2lda 1
441 "force: 0.361723" 468 75 468 92 rr_2lda 1
442 "force: 0.731944" 469 73 469 90 rr_2lda 1
443 "force: 0.297067" 470 73 470 90 rr_2lda 1
444 "force: 0.131521" 471 75 471 92 rr_2lda 1
445 "force: 0.282374" 472 76 472 93 rr_2lda 1
446 "force: 0.282103" 473 76 473 93 rr_2lda 1
447 "force: 0.182677" 474 75 474 92 rr_2lda 1
448 "force: 0.142334" 475 73 475 90 rr_2lda 1
449 "force: 0.191945" 476 73 476 90 rr_2lda 1
450 "force: 0.159086" 477 73 477 90 rr_2lda 1
451 "force: 0.256104" 478 73 478 90 rr_2lda 1
452 "force: 0.243607" 479 76 479 93 rr_2lda 1
453 "force: 0.171458" 480 74 480 91 rr_2lda 1
454 "force: 0.126837" 481 76 481 93 rr_2lda 1
455 "force: 0.0610399" 482 74 482 92 rr_2lda 1
456 "force: 0.450437" 483 74 483 91 rr_2lda 1
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .3.HB11' (nmrStar names) not linked" rr_2lda 1
2 2 41 1 "Not handling restraint 41, item 1, resonance(s) ' .3.HB12' (nmrStar names) not linked" rr_2lda 1
3 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .3.HB11' (nmrStar names),' .3.HB12' (nmrStar names) not linked" rr_2lda 1
4 2 43 1 "Not handling restraint 43, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
5 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .3.HB11' (nmrStar names),' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
6 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .3.HB12' (nmrStar names),' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
7 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .3.HG11' (nmrStar names) not linked" rr_2lda 1
8 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .3.HB11' (nmrStar names),' .3.HG11' (nmrStar names) not linked" rr_2lda 1
9 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .3.HB12' (nmrStar names),' .3.HG11' (nmrStar names) not linked" rr_2lda 1
10 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .3.HB2#' (nmrStar names),' .3.HG11' (nmrStar names) not linked" rr_2lda 1
11 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .3.HG12' (nmrStar names) not linked" rr_2lda 1
12 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .3.HB11' (nmrStar names),' .3.HG12' (nmrStar names) not linked" rr_2lda 1
13 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .3.HB12' (nmrStar names),' .3.HG12' (nmrStar names) not linked" rr_2lda 1
14 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .3.HG11' (nmrStar names),' .3.HG12' (nmrStar names) not linked" rr_2lda 1
15 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .3.HB11' (nmrStar names),' .3.HD11' (nmrStar names) not linked" rr_2lda 1
16 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .3.HB12' (nmrStar names),' .3.HD11' (nmrStar names) not linked" rr_2lda 1
17 2 56 1 "Not handling restraint 56, item 1, resonance(s) ' .3.HB2#' (nmrStar names),' .3.HD11' (nmrStar names) not linked" rr_2lda 1
18 2 57 1 "Not handling restraint 57, item 1, resonance(s) ' .3.HG11' (nmrStar names),' .3.HD11' (nmrStar names) not linked" rr_2lda 1
19 2 58 1 "Not handling restraint 58, item 1, resonance(s) ' .3.HG12' (nmrStar names),' .3.HD11' (nmrStar names) not linked" rr_2lda 1
20 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .3.HD12' (nmrStar names) not linked" rr_2lda 1
21 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .3.HB11' (nmrStar names),' .3.HD12' (nmrStar names) not linked" rr_2lda 1
22 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .3.HB2#' (nmrStar names),' .3.HD12' (nmrStar names) not linked" rr_2lda 1
23 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .3.HG11' (nmrStar names),' .3.HD12' (nmrStar names) not linked" rr_2lda 1
24 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .3.HG12' (nmrStar names),' .3.HD12' (nmrStar names) not linked" rr_2lda 1
25 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .3.HD11' (nmrStar names),' .3.HD12' (nmrStar names) not linked" rr_2lda 1
26 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .3.HB11' (nmrStar names),' .3.HE1' (nmrStar names) not linked" rr_2lda 1
27 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .3.HB12' (nmrStar names),' .3.HE1' (nmrStar names) not linked" rr_2lda 1
28 2 67 1 "Not handling restraint 67, item 1, resonance(s) ' .3.HG11' (nmrStar names),' .3.HE1' (nmrStar names) not linked" rr_2lda 1
29 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .3.HG12' (nmrStar names),' .3.HE1' (nmrStar names) not linked" rr_2lda 1
30 2 69 1 "Not handling restraint 69, item 1, resonance(s) ' .3.HD11' (nmrStar names),' .3.HE1' (nmrStar names) not linked" rr_2lda 1
31 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .3.HD12' (nmrStar names),' .3.HE1' (nmrStar names) not linked" rr_2lda 1
32 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .7.HB11' (nmrStar names) not linked" rr_2lda 1
33 2 121 1 "Not handling restraint 121, item 1, resonance(s) ' .7.HB12' (nmrStar names) not linked" rr_2lda 1
34 2 122 1 "Not handling restraint 122, item 1, resonance(s) ' .7.HB11' (nmrStar names),' .7.HB12' (nmrStar names) not linked" rr_2lda 1
35 2 123 1 "Not handling restraint 123, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
36 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .7.HB11' (nmrStar names),' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
37 2 125 1 "Not handling restraint 125, item 1, resonance(s) ' .7.HB12' (nmrStar names),' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
38 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
39 2 127 1 "Not handling restraint 127, item 1, resonance(s) ' .7.HB11' (nmrStar names),' .7.HG11' (nmrStar names) not linked" rr_2lda 1
40 2 128 1 "Not handling restraint 128, item 1, resonance(s) ' .7.HB12' (nmrStar names),' .7.HG11' (nmrStar names) not linked" rr_2lda 1
41 2 129 1 "Not handling restraint 129, item 1, resonance(s) ' .7.HG12' (nmrStar names) not linked" rr_2lda 1
42 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .7.HB11' (nmrStar names),' .7.HG12' (nmrStar names) not linked" rr_2lda 1
43 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .7.HB12' (nmrStar names),' .7.HG12' (nmrStar names) not linked" rr_2lda 1
44 2 132 1 "Not handling restraint 132, item 1, resonance(s) ' .7.HB2#' (nmrStar names),' .7.HG12' (nmrStar names) not linked" rr_2lda 1
45 2 133 1 "Not handling restraint 133, item 1, resonance(s) ' .7.HG11' (nmrStar names),' .7.HG12' (nmrStar names) not linked" rr_2lda 1
46 2 134 1 "Not handling restraint 134, item 1, resonance(s) ' .7.HD11' (nmrStar names) not linked" rr_2lda 1
47 2 135 1 "Not handling restraint 135, item 1, resonance(s) ' .7.HB12' (nmrStar names),' .7.HD11' (nmrStar names) not linked" rr_2lda 1
48 2 136 1 "Not handling restraint 136, item 1, resonance(s) ' .7.HB2#' (nmrStar names),' .7.HD11' (nmrStar names) not linked" rr_2lda 1
49 2 137 1 "Not handling restraint 137, item 1, resonance(s) ' .7.HG11' (nmrStar names),' .7.HD11' (nmrStar names) not linked" rr_2lda 1
50 2 138 1 "Not handling restraint 138, item 1, resonance(s) ' .7.HG12' (nmrStar names),' .7.HD11' (nmrStar names) not linked" rr_2lda 1
51 2 139 1 "Not handling restraint 139, item 1, resonance(s) ' .7.HD12' (nmrStar names) not linked" rr_2lda 1
52 2 140 1 "Not handling restraint 140, item 1, resonance(s) ' .7.HB11' (nmrStar names),' .7.HD12' (nmrStar names) not linked" rr_2lda 1
53 2 141 1 "Not handling restraint 141, item 1, resonance(s) ' .7.HB2#' (nmrStar names),' .7.HD12' (nmrStar names) not linked" rr_2lda 1
54 2 142 1 "Not handling restraint 142, item 1, resonance(s) ' .7.HG11' (nmrStar names),' .7.HD12' (nmrStar names) not linked" rr_2lda 1
55 2 143 1 "Not handling restraint 143, item 1, resonance(s) ' .7.HG12' (nmrStar names),' .7.HD12' (nmrStar names) not linked" rr_2lda 1
56 2 144 1 "Not handling restraint 144, item 1, resonance(s) ' .7.HD11' (nmrStar names),' .7.HD12' (nmrStar names) not linked" rr_2lda 1
57 2 145 1 "Not handling restraint 145, item 1, resonance(s) ' .7.HB11' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
58 2 146 1 "Not handling restraint 146, item 1, resonance(s) ' .7.HB12' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
59 2 147 1 "Not handling restraint 147, item 1, resonance(s) ' .7.HB2#' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
60 2 148 1 "Not handling restraint 148, item 1, resonance(s) ' .7.HG11' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
61 2 149 1 "Not handling restraint 149, item 1, resonance(s) ' .7.HG12' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
62 2 150 1 "Not handling restraint 150, item 1, resonance(s) ' .7.HD11' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
63 2 151 1 "Not handling restraint 151, item 1, resonance(s) ' .7.HD12' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
64 2 216 1 "Not handling restraint 216, item 1, resonance(s) ' .3.HB11' (nmrStar names) not linked" rr_2lda 1
65 2 217 1 "Not handling restraint 217, item 1, resonance(s) ' .3.HB12' (nmrStar names) not linked" rr_2lda 1
66 2 218 1 "Not handling restraint 218, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
67 2 219 1 "Not handling restraint 219, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
68 2 220 1 "Not handling restraint 220, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
69 2 221 1 "Not handling restraint 221, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
70 2 222 1 "Not handling restraint 222, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
71 2 222 1 "Not handling restraint 222, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
72 2 224 1 "Not handling restraint 224, item 1, resonance(s) ' .3.HB11' (nmrStar names) not linked" rr_2lda 1
73 2 225 1 "Not handling restraint 225, item 1, resonance(s) ' .3.HB12' (nmrStar names) not linked" rr_2lda 1
74 2 226 1 "Not handling restraint 226, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
75 2 227 1 "Not handling restraint 227, item 1, resonance(s) ' .3.HG11' (nmrStar names) not linked" rr_2lda 1
76 2 228 1 "Not handling restraint 228, item 1, resonance(s) ' .3.HG12' (nmrStar names) not linked" rr_2lda 1
77 2 229 1 "Not handling restraint 229, item 1, resonance(s) ' .3.HD11' (nmrStar names) not linked" rr_2lda 1
78 2 230 1 "Not handling restraint 230, item 1, resonance(s) ' .3.HD12' (nmrStar names) not linked" rr_2lda 1
79 2 231 1 "Not handling restraint 231, item 1, resonance(s) ' .3.HB11' (nmrStar names) not linked" rr_2lda 1
80 2 232 1 "Not handling restraint 232, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
81 2 233 1 "Not handling restraint 233, item 1, resonance(s) ' .3.HD11' (nmrStar names) not linked" rr_2lda 1
82 2 234 1 "Not handling restraint 234, item 1, resonance(s) ' .3.HD12' (nmrStar names) not linked" rr_2lda 1
83 2 235 1 "Not handling restraint 235, item 1, resonance(s) ' .3.HB11' (nmrStar names) not linked" rr_2lda 1
84 2 236 1 "Not handling restraint 236, item 1, resonance(s) ' .3.HD11' (nmrStar names) not linked" rr_2lda 1
85 2 237 1 "Not handling restraint 237, item 1, resonance(s) ' .3.HB11' (nmrStar names) not linked" rr_2lda 1
86 2 238 1 "Not handling restraint 238, item 1, resonance(s) ' .3.HD12' (nmrStar names) not linked" rr_2lda 1
87 2 239 1 "Not handling restraint 239, item 1, resonance(s) ' .3.HD11' (nmrStar names) not linked" rr_2lda 1
88 2 240 1 "Not handling restraint 240, item 1, resonance(s) ' .3.HD12' (nmrStar names) not linked" rr_2lda 1
89 2 241 1 "Not handling restraint 241, item 1, resonance(s) ' .3.HE1' (nmrStar names) not linked" rr_2lda 1
90 2 242 1 "Not handling restraint 242, item 1, resonance(s) ' .3.HD11' (nmrStar names) not linked" rr_2lda 1
91 2 243 1 "Not handling restraint 243, item 1, resonance(s) ' .3.HD12' (nmrStar names) not linked" rr_2lda 1
92 2 268 1 "Not handling restraint 268, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
93 2 269 1 "Not handling restraint 269, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
94 2 270 1 "Not handling restraint 270, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
95 2 271 1 "Not handling restraint 271, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
96 2 272 1 "Not handling restraint 272, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
97 2 273 1 "Not handling restraint 273, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
98 2 274 1 "Not handling restraint 274, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
99 2 275 1 "Not handling restraint 275, item 1, resonance(s) ' .7.HG12' (nmrStar names) not linked" rr_2lda 1
100 2 276 1 "Not handling restraint 276, item 1, resonance(s) ' .7.HG12' (nmrStar names) not linked" rr_2lda 1
101 2 277 1 "Not handling restraint 277, item 1, resonance(s) ' .7.HD11' (nmrStar names) not linked" rr_2lda 1
102 2 278 1 "Not handling restraint 278, item 1, resonance(s) ' .7.HD11' (nmrStar names) not linked" rr_2lda 1
103 2 279 1 "Not handling restraint 279, item 1, resonance(s) ' .7.HD12' (nmrStar names) not linked" rr_2lda 1
104 2 281 1 "Not handling restraint 281, item 1, resonance(s) ' .7.HB11' (nmrStar names) not linked" rr_2lda 1
105 2 282 1 "Not handling restraint 282, item 1, resonance(s) ' .7.HB12' (nmrStar names) not linked" rr_2lda 1
106 2 283 1 "Not handling restraint 283, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
107 2 284 1 "Not handling restraint 284, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
108 2 285 1 "Not handling restraint 285, item 1, resonance(s) ' .7.HG12' (nmrStar names) not linked" rr_2lda 1
109 2 286 1 "Not handling restraint 286, item 1, resonance(s) ' .7.HD11' (nmrStar names) not linked" rr_2lda 1
110 2 287 1 "Not handling restraint 287, item 1, resonance(s) ' .7.HB11' (nmrStar names) not linked" rr_2lda 1
111 2 288 1 "Not handling restraint 288, item 1, resonance(s) ' .7.HB12' (nmrStar names) not linked" rr_2lda 1
112 2 289 1 "Not handling restraint 289, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
113 2 291 1 "Not handling restraint 291, item 1, resonance(s) ' .7.HB12' (nmrStar names) not linked" rr_2lda 1
114 2 292 1 "Not handling restraint 292, item 1, resonance(s) ' .7.HB12' (nmrStar names) not linked" rr_2lda 1
115 2 332 1 "Not handling restraint 332, item 1, resonance(s) ' .3.HB11' (nmrStar names) not linked" rr_2lda 1
116 2 340 1 "Not handling restraint 340, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
117 2 346 1 "Not handling restraint 346, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
118 2 346 1 "Not handling restraint 346, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
119 2 348 1 "Not handling restraint 348, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
120 2 351 1 "Not handling restraint 351, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
121 2 352 1 "Not handling restraint 352, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
122 2 353 1 "Not handling restraint 353, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
123 2 354 1 "Not handling restraint 354, item 1, resonance(s) ' .3.HD11' (nmrStar names) not linked" rr_2lda 1
124 2 357 1 "Not handling restraint 357, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
125 2 359 1 "Not handling restraint 359, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
126 2 360 1 "Not handling restraint 360, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
127 2 361 1 "Not handling restraint 361, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
128 2 362 1 "Not handling restraint 362, item 1, resonance(s) ' .3.HB2#' (nmrStar names) not linked" rr_2lda 1
129 2 363 1 "Not handling restraint 363, item 1, resonance(s) ' .3.HD11' (nmrStar names) not linked" rr_2lda 1
130 2 368 1 "Not handling restraint 368, item 1, resonance(s) ' .3.HD11' (nmrStar names),' .7.HB11' (nmrStar names) not linked" rr_2lda 1
131 2 369 1 "Not handling restraint 369, item 1, resonance(s) ' .7.HB11' (nmrStar names) not linked" rr_2lda 1
132 2 370 1 "Not handling restraint 370, item 1, resonance(s) ' .7.HB11' (nmrStar names) not linked" rr_2lda 1
133 2 371 1 "Not handling restraint 371, item 1, resonance(s) ' .7.HB11' (nmrStar names) not linked" rr_2lda 1
134 2 372 1 "Not handling restraint 372, item 1, resonance(s) ' .3.HD11' (nmrStar names),' .7.HB12' (nmrStar names) not linked" rr_2lda 1
135 2 373 1 "Not handling restraint 373, item 1, resonance(s) ' .7.HB12' (nmrStar names) not linked" rr_2lda 1
136 2 374 1 "Not handling restraint 374, item 1, resonance(s) ' .7.HB12' (nmrStar names) not linked" rr_2lda 1
137 2 375 1 "Not handling restraint 375, item 1, resonance(s) ' .7.HB12' (nmrStar names) not linked" rr_2lda 1
138 2 376 1 "Not handling restraint 376, item 1, resonance(s) ' .3.HG12' (nmrStar names),' .7.HG11' (nmrStar names) not linked" rr_2lda 1
139 2 377 1 "Not handling restraint 377, item 1, resonance(s) ' .3.HD12' (nmrStar names),' .7.HG11' (nmrStar names) not linked" rr_2lda 1
140 2 378 1 "Not handling restraint 378, item 1, resonance(s) ' .3.HE1' (nmrStar names),' .7.HG11' (nmrStar names) not linked" rr_2lda 1
141 2 379 1 "Not handling restraint 379, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
142 2 380 1 "Not handling restraint 380, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
143 2 381 1 "Not handling restraint 381, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
144 2 382 1 "Not handling restraint 382, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
145 2 383 1 "Not handling restraint 383, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
146 2 384 1 "Not handling restraint 384, item 1, resonance(s) ' .7.HG11' (nmrStar names) not linked" rr_2lda 1
147 2 385 1 "Not handling restraint 385, item 1, resonance(s) ' .3.HB2#' (nmrStar names),' .7.HG12' (nmrStar names) not linked" rr_2lda 1
148 2 386 1 "Not handling restraint 386, item 1, resonance(s) ' .3.HG12' (nmrStar names),' .7.HG12' (nmrStar names) not linked" rr_2lda 1
149 2 387 1 "Not handling restraint 387, item 1, resonance(s) ' .3.HD12' (nmrStar names),' .7.HG12' (nmrStar names) not linked" rr_2lda 1
150 2 388 1 "Not handling restraint 388, item 1, resonance(s) ' .3.HE1' (nmrStar names),' .7.HG12' (nmrStar names) not linked" rr_2lda 1
151 2 389 1 "Not handling restraint 389, item 1, resonance(s) ' .7.HG12' (nmrStar names) not linked" rr_2lda 1
152 2 390 1 "Not handling restraint 390, item 1, resonance(s) ' .7.HG12' (nmrStar names) not linked" rr_2lda 1
153 2 391 1 "Not handling restraint 391, item 1, resonance(s) ' .3.HB2#' (nmrStar names),' .7.HD11' (nmrStar names) not linked" rr_2lda 1
154 2 392 1 "Not handling restraint 392, item 1, resonance(s) ' .3.HD12' (nmrStar names),' .7.HD11' (nmrStar names) not linked" rr_2lda 1
155 2 393 1 "Not handling restraint 393, item 1, resonance(s) ' .3.HE1' (nmrStar names),' .7.HD11' (nmrStar names) not linked" rr_2lda 1
156 2 394 1 "Not handling restraint 394, item 1, resonance(s) ' .7.HD11' (nmrStar names) not linked" rr_2lda 1
157 2 395 1 "Not handling restraint 395, item 1, resonance(s) ' .3.HG12' (nmrStar names),' .7.HD12' (nmrStar names) not linked" rr_2lda 1
158 2 396 1 "Not handling restraint 396, item 1, resonance(s) ' .3.HD11' (nmrStar names),' .7.HD12' (nmrStar names) not linked" rr_2lda 1
159 2 397 1 "Not handling restraint 397, item 1, resonance(s) ' .3.HE1' (nmrStar names),' .7.HD12' (nmrStar names) not linked" rr_2lda 1
160 2 398 1 "Not handling restraint 398, item 1, resonance(s) ' .7.HD12' (nmrStar names) not linked" rr_2lda 1
161 2 399 1 "Not handling restraint 399, item 1, resonance(s) ' .7.HD12' (nmrStar names) not linked" rr_2lda 1
162 2 400 1 "Not handling restraint 400, item 1, resonance(s) ' .7.HD12' (nmrStar names) not linked" rr_2lda 1
163 2 401 1 "Not handling restraint 401, item 1, resonance(s) ' .7.HD12' (nmrStar names) not linked" rr_2lda 1
164 2 402 1 "Not handling restraint 402, item 1, resonance(s) ' .7.HD12' (nmrStar names) not linked" rr_2lda 1
165 2 403 1 "Not handling restraint 403, item 1, resonance(s) ' .3.HG11' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
166 2 404 1 "Not handling restraint 404, item 1, resonance(s) ' .3.HG12' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
167 2 405 1 "Not handling restraint 405, item 1, resonance(s) ' .3.HD11' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
168 2 406 1 "Not handling restraint 406, item 1, resonance(s) ' .3.HD12' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
169 2 407 1 "Not handling restraint 407, item 1, resonance(s) ' .3.HE1' (nmrStar names),' .7.HE1' (nmrStar names) not linked" rr_2lda 1
170 2 408 1 "Not handling restraint 408, item 1, resonance(s) ' .7.HE1' (nmrStar names) not linked" rr_2lda 1
171 2 409 1 "Not handling restraint 409, item 1, resonance(s) ' .7.HE1' (nmrStar names) not linked" rr_2lda 1
172 2 433 1 "Not handling restraint 433, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
173 2 440 1 "Not handling restraint 440, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
174 2 443 1 "Not handling restraint 443, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
175 2 444 1 "Not handling restraint 444, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
176 2 445 1 "Not handling restraint 445, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
177 2 446 1 "Not handling restraint 446, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
178 2 451 1 "Not handling restraint 451, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 1
179 2 453 1 "Not handling restraint 453, item 1, resonance(s) ' .7.HB2#' (nmrStar names) not linked" rr_2lda 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_2lda
_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 DE NOVO PROTEIN 20-MAY-11 2LDA *TITLE SOLUTION STRUCTURE OF THE ESTROGEN RECEPTOR-BINDING STAPLED PEPTIDE *TITLE 2 SP2 (AC-HKXLHQXLQDS-NH2) *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ESTROGEN RECEPTOR-BINDING STAPLED PEPTIDE SP2; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR C.PHILLIPS, R.BAZIN, A.BENT, N.DAVIES, R.MOORE, A.PANNIFER, *AUTHOR 2 A.PICKFORD, S.PRIOR, C.READ, L.ROBERTS, M.SCHADE, A.SCOTT, D.BROWN, *AUTHOR 3 B.XU, S.IRVING *REVDAT 1 06-JUL-11 2LDA 0"
save_
Contact the webmaster for help, if required. Monday, June 3, 2024 3:08:19 PM GMT (wattos1)