NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
641951 |
6qys   |
34370 | cing | 4-filtered-FRED | STAR | entry | full | 14 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6qys
# This FRED archive file contains, for PDB entry <6qys>:
#
# - 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 and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# 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_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.PDB_coordinate_file_version .
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_6qys
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6qys
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all other bound"
_Assembly.Molecular_mass 487.59
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 . 1 $DBB_PRO_GLY_CYS_LYS A . 1 1
stop_
save_
save_DBB_PRO_GLY_CYS_LYS
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "DBB PRO GLY CYS LYS"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XPGCK
_Entity.Number_of_monomers 5
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . $. 1 1
2 PRO . 1 1
3 GLY . 1 1
4 CYS . 1 1
5 LYS . 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. 1 1 1 1
PRO 2 2 1 1
GLY 3 3 1 1
CYS 4 4 1 1
LYS 5 5 1 1
stop_
save_
save_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
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 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_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 PRO HA . 2 . HA 1 1
1 1 2 1 1 3 GLY H . 3 . HN 1 1
1 1 2 1 1 5 LYS H . 5 . HN 1 1
2 1 1 1 1 2 PRO HA . 2 . HA 1 1
2 1 2 1 1 4 CYS H . 4 . HN 1 1
3 1 1 1 1 2 PRO HB2 . 2 . HB2 1 1
3 1 2 1 1 3 GLY H . 3 . HN 1 1
3 1 2 1 1 5 LYS H . 5 . HN 1 1
4 1 1 1 1 2 PRO HB3 . 2 . HB1 1 1
4 1 2 1 1 3 GLY H . 3 . HN 1 1
4 1 2 1 1 5 LYS H . 5 . HN 1 1
5 1 1 1 1 3 GLY H . 3 . HN 1 1
5 1 1 1 1 5 LYS H . 5 . HN 1 1
5 1 2 1 1 4 CYS H . 4 . HN 1 1
6 1 1 1 1 3 GLY H . 3 . HN 1 1
6 1 1 1 1 5 LYS H . 5 . HN 1 1
6 1 2 1 1 4 CYS HA . 4 . HA 1 1
7 1 1 1 1 3 GLY H . 3 . HN 1 1
7 1 1 1 1 5 LYS H . 5 . HN 1 1
7 1 2 1 1 4 CYS QB . 4 . HB# 1 1
8 1 1 1 1 3 GLY HA2 . 3 . HA2 1 1
8 1 2 1 1 4 CYS H . 4 . HN 1 1
9 1 1 1 1 3 GLY HA3 . 3 . HA1 1 1
9 1 2 1 1 4 CYS H . 4 . HN 1 1
10 1 1 1 1 3 GLY HA3 . 3 . HA1 1 1
10 1 2 1 1 4 CYS HA . 4 . HA 1 1
11 1 1 1 1 4 CYS HA . 4 . HA 1 1
11 1 2 1 1 5 LYS HB3 . 5 . HB1 1 1
12 1 1 1 1 4 CYS HA . 4 . HA 1 1
12 1 2 1 1 5 LYS QG . 5 . HG# 1 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.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.3 1.8 3.2 1 1
2 1 . . . . . 3.6 1.8 5.0 1 1
3 1 . . . . . 3.6 1.8 5.0 1 1
4 1 . . . . . 3.6 1.8 5.0 1 1
5 1 . . . . . 2.9 1.8 3.6 1 1
6 1 . . . . . 2.3 1.8 3.1 1 1
7 1 . . . . . 2.9 1.8 3.6 1 1
8 1 . . . . . 3.6 1.8 5.0 1 1
9 1 . . . . . 3.6 1.8 5.0 1 1
10 1 . . . . . 3.6 1.8 5.0 1 1
11 1 . . . . . 3.6 1.8 6.5 1 1
12 1 . . . . . 3.6 1.8 6.4 1 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 2 PRO C 1 1 3 GLY N 1 1 3 GLY CA 1 1 3 GLY C -134.3 -14.3 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1
2 . 1 1 3 GLY C 1 1 4 CYS N 1 1 4 CYS CA 1 1 4 CYS C -142.2 -22.2 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.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.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_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.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 . C C 7.374 4.264 1.752 1.00 . A A . 1 DBB C 1 1
1 2 1 1 1 . CA C 6.936 3.883 3.163 1.00 . A A . 1 DBB CA 1 1
1 3 1 1 1 . CB C 6.593 2.395 3.203 1.00 . A A . 1 DBB CB 1 1
1 4 1 1 1 . CG C 5.355 2.150 2.330 1.00 . A A . 1 DBB CG 1 1
1 5 1 1 1 . H H 7.966 5.175 4.410 1.00 . A A . 1 DBB H 1 1
1 6 1 1 1 . H1 H 8.934 3.971 3.699 1.00 . A A . 1 DBB H1 1 1
1 7 1 1 1 . HA H 6.084 4.445 3.415 1.00 . A A . 1 DBB HA 1 1
1 8 1 1 1 . HB2 H 7.433 1.842 2.797 1.00 . A A . 1 DBB HB2 1 1
1 9 1 1 1 . HG1 H 5.126 3.046 1.767 1.00 . A A . 1 DBB HG1 1 1
1 10 1 1 1 . HG2 H 4.516 1.894 2.958 1.00 . A A . 1 DBB HG2 1 1
1 11 1 1 1 . HG3 H 5.553 1.340 1.646 1.00 . A A . 1 DBB HG3 1 1
1 12 1 1 1 . HT3 H 7.884 3.580 4.977 1.00 . A A . 1 DBB HT3 1 1
1 13 1 1 1 . N N 8.013 4.174 4.135 1.00 . A A . 1 DBB N 1 1
1 14 1 1 1 . O O 7.857 3.412 1.007 1.00 . A A . 1 DBB O 1 1
1 15 1 1 2 PRO C C 5.164 6.347 2.594 1.00 . A A . 2 PRO C 1 1
1 16 1 1 2 PRO CA C 6.618 6.607 2.195 1.00 . A A . 2 PRO CA 1 1
1 17 1 1 2 PRO CB C 6.723 7.858 1.308 1.00 . A A . 2 PRO CB 1 1
1 18 1 1 2 PRO CD C 7.544 5.985 0.012 1.00 . A A . 2 PRO CD 1 1
1 19 1 1 2 PRO CG C 7.641 7.497 0.186 1.00 . A A . 2 PRO CG 1 1
1 20 1 1 2 PRO HA H 7.220 6.749 3.078 1.00 . A A . 2 PRO HA 1 1
1 21 1 1 2 PRO HB2 H 5.748 8.124 0.923 1.00 . A A . 2 PRO HB2 1 1
1 22 1 1 2 PRO HB3 H 7.138 8.681 1.870 1.00 . A A . 2 PRO HB3 1 1
1 23 1 1 2 PRO HD2 H 6.763 5.732 -0.693 1.00 . A A . 2 PRO HD2 1 1
1 24 1 1 2 PRO HD3 H 8.490 5.571 -0.299 1.00 . A A . 2 PRO HD3 1 1
1 25 1 1 2 PRO HG2 H 7.332 7.998 -0.721 1.00 . A A . 2 PRO HG2 1 1
1 26 1 1 2 PRO HG3 H 8.655 7.768 0.433 1.00 . A A . 2 PRO HG3 1 1
1 27 1 1 2 PRO N N 7.200 5.506 1.350 1.00 . A A . 2 PRO N 1 1
1 28 1 1 2 PRO O O 4.711 6.790 3.649 1.00 . A A . 2 PRO O 1 1
1 29 1 1 3 GLY C C 2.952 4.710 3.457 1.00 . A A . 3 GLY C 1 1
1 30 1 1 3 GLY CA C 3.075 5.249 2.042 1.00 . A A . 3 GLY CA 1 1
1 31 1 1 3 GLY H H 4.874 5.261 0.952 1.00 . A A . 3 GLY H 1 1
1 32 1 1 3 GLY HA2 H 2.443 6.117 1.922 1.00 . A A . 3 GLY HA2 1 1
1 33 1 1 3 GLY HA3 H 2.775 4.483 1.355 1.00 . A A . 3 GLY HA3 1 1
1 34 1 1 3 GLY N N 4.456 5.600 1.761 1.00 . A A . 3 GLY N 1 1
1 35 1 1 3 GLY O O 2.012 5.032 4.186 1.00 . A A . 3 GLY O 1 1
1 36 1 1 4 CYS C C 3.082 4.025 6.138 1.00 . A A . 4 CYS C 1 1
1 37 1 1 4 CYS CA C 3.951 3.258 5.137 1.00 . A A . 4 CYS CA 1 1
1 38 1 1 4 CYS CB C 5.398 3.213 5.643 1.00 . A A . 4 CYS CB 1 1
1 39 1 1 4 CYS H H 4.614 3.653 3.178 1.00 . A A . 4 CYS H 1 1
1 40 1 1 4 CYS HA H 3.584 2.252 5.054 1.00 . A A . 4 CYS HA 1 1
1 41 1 1 4 CYS HB2 H 5.901 4.132 5.401 1.00 . A A . 4 CYS HB2 1 1
1 42 1 1 4 CYS HB3 H 5.387 3.096 6.716 1.00 . A A . 4 CYS HB3 1 1
1 43 1 1 4 CYS N N 3.915 3.875 3.821 1.00 . A A . 4 CYS N 1 1
1 44 1 1 4 CYS O O 1.856 3.927 6.105 1.00 . A A . 4 CYS O 1 1
1 45 1 1 4 CYS SG S 6.282 1.801 4.903 1.00 . A A . 4 CYS SG 1 1
1 46 1 1 5 LYS C C 2.357 6.781 7.414 1.00 . A A . 5 LYS C 1 1
1 47 1 1 5 LYS CA C 2.999 5.544 8.035 1.00 . A A . 5 LYS CA 1 1
1 48 1 1 5 LYS CB C 3.968 5.963 9.142 1.00 . A A . 5 LYS CB 1 1
1 49 1 1 5 LYS CD C 6.368 5.984 9.847 1.00 . A A . 5 LYS CD 1 1
1 50 1 1 5 LYS CE C 7.661 5.169 9.742 1.00 . A A . 5 LYS CE 1 1
1 51 1 1 5 LYS CG C 5.391 5.548 8.754 1.00 . A A . 5 LYS CG 1 1
1 52 1 1 5 LYS H H 4.695 4.817 7.019 1.00 . A A . 5 LYS H 1 1
1 53 1 1 5 LYS HA H 2.226 4.923 8.464 1.00 . A A . 5 LYS HA 1 1
1 54 1 1 5 LYS HB2 H 3.926 7.034 9.272 1.00 . A A . 5 LYS HB2 1 1
1 55 1 1 5 LYS HB3 H 3.694 5.475 10.065 1.00 . A A . 5 LYS HB3 1 1
1 56 1 1 5 LYS HD2 H 6.594 7.034 9.728 1.00 . A A . 5 LYS HD2 1 1
1 57 1 1 5 LYS HD3 H 5.919 5.819 10.815 1.00 . A A . 5 LYS HD3 1 1
1 58 1 1 5 LYS HE2 H 7.820 4.874 8.716 1.00 . A A . 5 LYS HE2 1 1
1 59 1 1 5 LYS HE3 H 8.492 5.772 10.078 1.00 . A A . 5 LYS HE3 1 1
1 60 1 1 5 LYS HG2 H 5.433 4.473 8.638 1.00 . A A . 5 LYS HG2 1 1
1 61 1 1 5 LYS HG3 H 5.662 6.021 7.822 1.00 . A A . 5 LYS HG3 1 1
1 62 1 1 5 LYS HZ1 H 6.584 3.581 10.554 1.00 . A A . 5 LYS HZ1 1 1
1 63 1 1 5 LYS HZ2 H 7.791 4.198 11.580 1.00 . A A . 5 LYS HZ2 1 1
1 64 1 1 5 LYS HZ3 H 8.215 3.227 10.254 1.00 . A A . 5 LYS HZ3 1 1
1 65 1 1 5 LYS N N 3.722 4.779 7.031 1.00 . A A . 5 LYS N 1 1
1 66 1 1 5 LYS NZ N 7.555 3.952 10.598 1.00 . A A . 5 LYS NZ 1 1
1 67 1 1 5 LYS O O 2.931 7.313 6.477 1.00 . A A . 5 LYS O 1 1
1 68 1 1 5 LYS OXT O 1.302 7.175 7.882 1.00 . A A . 5 LYS OXT 1 1
2 69 1 1 1 . C C 7.320 4.262 1.692 1.00 . A A . 1 DBB C 1 1
2 70 1 1 1 . CA C 6.943 3.877 3.121 1.00 . A A . 1 DBB CA 1 1
2 71 1 1 1 . CB C 6.613 2.384 3.175 1.00 . A A . 1 DBB CB 1 1
2 72 1 1 1 . CG C 5.377 2.120 2.306 1.00 . A A . 1 DBB CG 1 1
2 73 1 1 1 . H H 8.783 3.438 3.959 1.00 . A A . 1 DBB H 1 1
2 74 1 1 1 . H1 H 7.702 4.217 5.015 1.00 . A A . 1 DBB H1 1 1
2 75 1 1 1 . HA H 6.097 4.433 3.412 1.00 . A A . 1 DBB HA 1 1
2 76 1 1 1 . HB2 H 7.455 1.836 2.772 1.00 . A A . 1 DBB HB2 1 1
2 77 1 1 1 . HG1 H 5.158 2.998 1.712 1.00 . A A . 1 DBB HG1 1 1
2 78 1 1 1 . HG2 H 4.533 1.891 2.936 1.00 . A A . 1 DBB HG2 1 1
2 79 1 1 1 . HG3 H 5.573 1.286 1.648 1.00 . A A . 1 DBB HG3 1 1
2 80 1 1 1 . HT3 H 8.477 5.096 3.783 1.00 . A A . 1 DBB HT3 1 1
2 81 1 1 1 . N N 8.062 4.179 4.039 1.00 . A A . 1 DBB N 1 1
2 82 1 1 1 . O O 7.764 3.412 0.918 1.00 . A A . 1 DBB O 1 1
2 83 1 1 2 PRO C C 5.164 6.349 2.607 1.00 . A A . 2 PRO C 1 1
2 84 1 1 2 PRO CA C 6.611 6.601 2.196 1.00 . A A . 2 PRO CA 1 1
2 85 1 1 2 PRO CB C 6.715 7.871 1.340 1.00 . A A . 2 PRO CB 1 1
2 86 1 1 2 PRO CD C 7.439 6.011 -0.030 1.00 . A A . 2 PRO CD 1 1
2 87 1 1 2 PRO CG C 7.580 7.516 0.173 1.00 . A A . 2 PRO CG 1 1
2 88 1 1 2 PRO HA H 7.232 6.706 3.071 1.00 . A A . 2 PRO HA 1 1
2 89 1 1 2 PRO HB2 H 5.734 8.171 1.001 1.00 . A A . 2 PRO HB2 1 1
2 90 1 1 2 PRO HB3 H 7.173 8.666 1.908 1.00 . A A . 2 PRO HB3 1 1
2 91 1 1 2 PRO HD2 H 6.622 5.792 -0.705 1.00 . A A . 2 PRO HD2 1 1
2 92 1 1 2 PRO HD3 H 8.361 5.584 -0.392 1.00 . A A . 2 PRO HD3 1 1
2 93 1 1 2 PRO HG2 H 7.246 8.046 -0.709 1.00 . A A . 2 PRO HG2 1 1
2 94 1 1 2 PRO HG3 H 8.609 7.758 0.387 1.00 . A A . 2 PRO HG3 1 1
2 95 1 1 2 PRO N N 7.145 5.511 1.311 1.00 . A A . 2 PRO N 1 1
2 96 1 1 2 PRO O O 4.719 6.789 3.667 1.00 . A A . 2 PRO O 1 1
2 97 1 1 3 GLY C C 2.962 4.710 3.461 1.00 . A A . 3 GLY C 1 1
2 98 1 1 3 GLY CA C 3.078 5.259 2.052 1.00 . A A . 3 GLY CA 1 1
2 99 1 1 3 GLY H H 4.871 5.274 0.960 1.00 . A A . 3 GLY H 1 1
2 100 1 1 3 GLY HA2 H 2.447 6.129 1.941 1.00 . A A . 3 GLY HA2 1 1
2 101 1 1 3 GLY HA3 H 2.774 4.498 1.359 1.00 . A A . 3 GLY HA3 1 1
2 102 1 1 3 GLY N N 4.453 5.610 1.771 1.00 . A A . 3 GLY N 1 1
2 103 1 1 3 GLY O O 2.028 5.033 4.194 1.00 . A A . 3 GLY O 1 1
2 104 1 1 4 CYS C C 3.087 4.011 6.129 1.00 . A A . 4 CYS C 1 1
2 105 1 1 4 CYS CA C 3.963 3.243 5.129 1.00 . A A . 4 CYS CA 1 1
2 106 1 1 4 CYS CB C 5.411 3.189 5.636 1.00 . A A . 4 CYS CB 1 1
2 107 1 1 4 CYS H H 4.623 3.645 3.166 1.00 . A A . 4 CYS H 1 1
2 108 1 1 4 CYS HA H 3.592 2.239 5.041 1.00 . A A . 4 CYS HA 1 1
2 109 1 1 4 CYS HB2 H 5.916 4.112 5.412 1.00 . A A . 4 CYS HB2 1 1
2 110 1 1 4 CYS HB3 H 5.398 3.055 6.709 1.00 . A A . 4 CYS HB3 1 1
2 111 1 1 4 CYS N N 3.927 3.868 3.816 1.00 . A A . 4 CYS N 1 1
2 112 1 1 4 CYS O O 1.861 3.908 6.077 1.00 . A A . 4 CYS O 1 1
2 113 1 1 4 CYS SG S 6.304 1.790 4.878 1.00 . A A . 4 CYS SG 1 1
2 114 1 1 5 LYS C C 1.497 5.259 8.005 1.00 . A A . 5 LYS C 1 1
2 115 1 1 5 LYS CA C 2.993 5.555 8.032 1.00 . A A . 5 LYS CA 1 1
2 116 1 1 5 LYS CB C 3.222 7.046 7.784 1.00 . A A . 5 LYS CB 1 1
2 117 1 1 5 LYS CD C 4.908 8.658 6.885 1.00 . A A . 5 LYS CD 1 1
2 118 1 1 5 LYS CE C 6.391 9.037 6.910 1.00 . A A . 5 LYS CE 1 1
2 119 1 1 5 LYS CG C 4.715 7.304 7.569 1.00 . A A . 5 LYS CG 1 1
2 120 1 1 5 LYS H H 4.692 4.813 7.021 1.00 . A A . 5 LYS H 1 1
2 121 1 1 5 LYS HA H 3.378 5.307 9.010 1.00 . A A . 5 LYS HA 1 1
2 122 1 1 5 LYS HB2 H 2.673 7.353 6.905 1.00 . A A . 5 LYS HB2 1 1
2 123 1 1 5 LYS HB3 H 2.880 7.611 8.638 1.00 . A A . 5 LYS HB3 1 1
2 124 1 1 5 LYS HD2 H 4.569 8.595 5.861 1.00 . A A . 5 LYS HD2 1 1
2 125 1 1 5 LYS HD3 H 4.338 9.411 7.408 1.00 . A A . 5 LYS HD3 1 1
2 126 1 1 5 LYS HE2 H 6.978 8.175 7.191 1.00 . A A . 5 LYS HE2 1 1
2 127 1 1 5 LYS HE3 H 6.693 9.373 5.929 1.00 . A A . 5 LYS HE3 1 1
2 128 1 1 5 LYS HG2 H 5.219 7.307 8.525 1.00 . A A . 5 LYS HG2 1 1
2 129 1 1 5 LYS HG3 H 5.130 6.526 6.946 1.00 . A A . 5 LYS HG3 1 1
2 130 1 1 5 LYS HZ1 H 6.042 9.945 8.751 1.00 . A A . 5 LYS HZ1 1 1
2 131 1 1 5 LYS HZ2 H 6.321 11.038 7.479 1.00 . A A . 5 LYS HZ2 1 1
2 132 1 1 5 LYS HZ3 H 7.615 10.170 8.157 1.00 . A A . 5 LYS HZ3 1 1
2 133 1 1 5 LYS N N 3.717 4.773 7.029 1.00 . A A . 5 LYS N 1 1
2 134 1 1 5 LYS NZ N 6.609 10.130 7.899 1.00 . A A . 5 LYS NZ 1 1
2 135 1 1 5 LYS O O 1.117 4.181 8.431 1.00 . A A . 5 LYS O 1 1
2 136 1 1 5 LYS OXT O 0.752 6.115 7.557 1.00 . A A . 5 LYS OXT 1 1
3 137 1 1 1 . C C 7.237 4.224 1.608 1.00 . A A . 1 DBB C 1 1
3 138 1 1 1 . CA C 6.924 3.878 3.060 1.00 . A A . 1 DBB CA 1 1
3 139 1 1 1 . CB C 6.598 2.385 3.167 1.00 . A A . 1 DBB CB 1 1
3 140 1 1 1 . CG C 5.324 2.097 2.362 1.00 . A A . 1 DBB CG 1 1
3 141 1 1 1 . H H 8.368 3.362 4.448 1.00 . A A . 1 DBB H 1 1
3 142 1 1 1 . H1 H 7.820 4.966 4.572 1.00 . A A . 1 DBB H1 1 1
3 143 1 1 1 . HA H 6.092 4.448 3.375 1.00 . A A . 1 DBB HA 1 1
3 144 1 1 1 . HB2 H 7.422 1.828 2.737 1.00 . A A . 1 DBB HB2 1 1
3 145 1 1 1 . HG1 H 5.074 2.960 1.761 1.00 . A A . 1 DBB HG1 1 1
3 146 1 1 1 . HG2 H 4.512 1.879 3.037 1.00 . A A . 1 DBB HG2 1 1
3 147 1 1 1 . HG3 H 5.493 1.249 1.716 1.00 . A A . 1 DBB HG3 1 1
3 148 1 1 1 . HT3 H 8.873 4.519 3.316 1.00 . A A . 1 DBB HT3 1 1
3 149 1 1 1 . N N 8.085 4.205 3.914 1.00 . A A . 1 DBB N 1 1
3 150 1 1 1 . O O 7.607 3.347 0.827 1.00 . A A . 1 DBB O 1 1
3 151 1 1 2 PRO C C 5.185 6.429 2.549 1.00 . A A . 2 PRO C 1 1
3 152 1 1 2 PRO CA C 6.640 6.587 2.116 1.00 . A A . 2 PRO CA 1 1
3 153 1 1 2 PRO CB C 6.818 7.853 1.265 1.00 . A A . 2 PRO CB 1 1
3 154 1 1 2 PRO CD C 7.320 5.943 -0.141 1.00 . A A . 2 PRO CD 1 1
3 155 1 1 2 PRO CG C 7.573 7.435 0.042 1.00 . A A . 2 PRO CG 1 1
3 156 1 1 2 PRO HA H 7.279 6.643 2.982 1.00 . A A . 2 PRO HA 1 1
3 157 1 1 2 PRO HB2 H 5.853 8.253 0.989 1.00 . A A . 2 PRO HB2 1 1
3 158 1 1 2 PRO HB3 H 7.385 8.591 1.812 1.00 . A A . 2 PRO HB3 1 1
3 159 1 1 2 PRO HD2 H 6.445 5.777 -0.757 1.00 . A A . 2 PRO HD2 1 1
3 160 1 1 2 PRO HD3 H 8.184 5.452 -0.561 1.00 . A A . 2 PRO HD3 1 1
3 161 1 1 2 PRO HG2 H 7.216 7.984 -0.819 1.00 . A A . 2 PRO HG2 1 1
3 162 1 1 2 PRO HG3 H 8.629 7.609 0.181 1.00 . A A . 2 PRO HG3 1 1
3 163 1 1 2 PRO N N 7.085 5.469 1.220 1.00 . A A . 2 PRO N 1 1
3 164 1 1 2 PRO O O 4.743 7.032 3.527 1.00 . A A . 2 PRO O 1 1
3 165 1 1 3 GLY C C 2.972 4.728 3.535 1.00 . A A . 3 GLY C 1 1
3 166 1 1 3 GLY CA C 3.074 5.308 2.139 1.00 . A A . 3 GLY CA 1 1
3 167 1 1 3 GLY H H 4.879 5.125 1.079 1.00 . A A . 3 GLY H 1 1
3 168 1 1 3 GLY HA2 H 2.493 6.218 2.074 1.00 . A A . 3 GLY HA2 1 1
3 169 1 1 3 GLY HA3 H 2.705 4.587 1.436 1.00 . A A . 3 GLY HA3 1 1
3 170 1 1 3 GLY N N 4.462 5.586 1.826 1.00 . A A . 3 GLY N 1 1
3 171 1 1 3 GLY O O 2.045 5.028 4.287 1.00 . A A . 3 GLY O 1 1
3 172 1 1 4 CYS C C 3.116 3.946 6.175 1.00 . A A . 4 CYS C 1 1
3 173 1 1 4 CYS CA C 4.004 3.228 5.152 1.00 . A A . 4 CYS CA 1 1
3 174 1 1 4 CYS CB C 5.457 3.215 5.644 1.00 . A A . 4 CYS CB 1 1
3 175 1 1 4 CYS H H 4.630 3.679 3.191 1.00 . A A . 4 CYS H 1 1
3 176 1 1 4 CYS HA H 3.666 2.215 5.041 1.00 . A A . 4 CYS HA 1 1
3 177 1 1 4 CYS HB2 H 5.937 4.146 5.399 1.00 . A A . 4 CYS HB2 1 1
3 178 1 1 4 CYS HB3 H 5.459 3.096 6.719 1.00 . A A . 4 CYS HB3 1 1
3 179 1 1 4 CYS N N 3.944 3.884 3.857 1.00 . A A . 4 CYS N 1 1
3 180 1 1 4 CYS O O 1.908 3.715 6.216 1.00 . A A . 4 CYS O 1 1
3 181 1 1 4 CYS SG S 6.375 1.828 4.896 1.00 . A A . 4 CYS SG 1 1
3 182 1 1 5 LYS C C 1.688 6.163 7.371 1.00 . A A . 5 LYS C 1 1
3 183 1 1 5 LYS CA C 2.927 5.536 8.002 1.00 . A A . 5 LYS CA 1 1
3 184 1 1 5 LYS CB C 3.788 6.628 8.642 1.00 . A A . 5 LYS CB 1 1
3 185 1 1 5 LYS CD C 5.891 7.951 8.364 1.00 . A A . 5 LYS CD 1 1
3 186 1 1 5 LYS CE C 7.068 8.191 7.417 1.00 . A A . 5 LYS CE 1 1
3 187 1 1 5 LYS CG C 5.147 6.682 7.942 1.00 . A A . 5 LYS CG 1 1
3 188 1 1 5 LYS H H 4.664 4.971 6.939 1.00 . A A . 5 LYS H 1 1
3 189 1 1 5 LYS HA H 2.616 4.843 8.771 1.00 . A A . 5 LYS HA 1 1
3 190 1 1 5 LYS HB2 H 3.293 7.582 8.545 1.00 . A A . 5 LYS HB2 1 1
3 191 1 1 5 LYS HB3 H 3.935 6.403 9.689 1.00 . A A . 5 LYS HB3 1 1
3 192 1 1 5 LYS HD2 H 5.216 8.793 8.322 1.00 . A A . 5 LYS HD2 1 1
3 193 1 1 5 LYS HD3 H 6.260 7.834 9.371 1.00 . A A . 5 LYS HD3 1 1
3 194 1 1 5 LYS HE2 H 7.769 8.870 7.880 1.00 . A A . 5 LYS HE2 1 1
3 195 1 1 5 LYS HE3 H 7.558 7.252 7.208 1.00 . A A . 5 LYS HE3 1 1
3 196 1 1 5 LYS HG2 H 5.729 5.814 8.218 1.00 . A A . 5 LYS HG2 1 1
3 197 1 1 5 LYS HG3 H 5.000 6.692 6.873 1.00 . A A . 5 LYS HG3 1 1
3 198 1 1 5 LYS HZ1 H 7.211 8.532 5.368 1.00 . A A . 5 LYS HZ1 1 1
3 199 1 1 5 LYS HZ2 H 6.525 9.820 6.239 1.00 . A A . 5 LYS HZ2 1 1
3 200 1 1 5 LYS HZ3 H 5.618 8.415 5.939 1.00 . A A . 5 LYS HZ3 1 1
3 201 1 1 5 LYS N N 3.703 4.813 7.000 1.00 . A A . 5 LYS N 1 1
3 202 1 1 5 LYS NZ N 6.567 8.785 6.145 1.00 . A A . 5 LYS NZ 1 1
3 203 1 1 5 LYS O O 0.666 6.207 8.037 1.00 . A A . 5 LYS O 1 1
3 204 1 1 5 LYS OXT O 1.778 6.589 6.232 1.00 . A A . 5 LYS OXT 1 1
4 205 1 1 1 . C C 7.321 4.251 1.699 1.00 . A A . 1 DBB C 1 1
4 206 1 1 1 . CA C 6.932 3.877 3.126 1.00 . A A . 1 DBB CA 1 1
4 207 1 1 1 . CB C 6.617 2.382 3.190 1.00 . A A . 1 DBB CB 1 1
4 208 1 1 1 . CG C 5.381 2.101 2.327 1.00 . A A . 1 DBB CG 1 1
4 209 1 1 1 . H H 8.943 3.984 3.599 1.00 . A A . 1 DBB H 1 1
4 210 1 1 1 . H1 H 7.931 3.637 4.920 1.00 . A A . 1 DBB H1 1 1
4 211 1 1 1 . HA H 6.077 4.428 3.401 1.00 . A A . 1 DBB HA 1 1
4 212 1 1 1 . HB2 H 7.464 1.839 2.786 1.00 . A A . 1 DBB HB2 1 1
4 213 1 1 1 . HG1 H 5.158 2.970 1.723 1.00 . A A . 1 DBB HG1 1 1
4 214 1 1 1 . HG2 H 4.539 1.878 2.962 1.00 . A A . 1 DBB HG2 1 1
4 215 1 1 1 . HG3 H 5.580 1.259 1.681 1.00 . A A . 1 DBB HG3 1 1
4 216 1 1 1 . HT3 H 7.999 5.212 4.289 1.00 . A A . 1 DBB HT3 1 1
4 217 1 1 1 . N N 8.036 4.201 4.053 1.00 . A A . 1 DBB N 1 1
4 218 1 1 1 . O O 7.765 3.394 0.934 1.00 . A A . 1 DBB O 1 1
4 219 1 1 2 PRO C C 5.171 6.365 2.593 1.00 . A A . 2 PRO C 1 1
4 220 1 1 2 PRO CA C 6.620 6.602 2.175 1.00 . A A . 2 PRO CA 1 1
4 221 1 1 2 PRO CB C 6.727 7.859 1.298 1.00 . A A . 2 PRO CB 1 1
4 222 1 1 2 PRO CD C 7.459 5.980 -0.039 1.00 . A A . 2 PRO CD 1 1
4 223 1 1 2 PRO CG C 7.603 7.485 0.146 1.00 . A A . 2 PRO CG 1 1
4 224 1 1 2 PRO HA H 7.242 6.722 3.048 1.00 . A A . 2 PRO HA 1 1
4 225 1 1 2 PRO HB2 H 5.747 8.148 0.944 1.00 . A A . 2 PRO HB2 1 1
4 226 1 1 2 PRO HB3 H 7.177 8.665 1.856 1.00 . A A . 2 PRO HB3 1 1
4 227 1 1 2 PRO HD2 H 6.647 5.754 -0.716 1.00 . A A . 2 PRO HD2 1 1
4 228 1 1 2 PRO HD3 H 8.381 5.545 -0.389 1.00 . A A . 2 PRO HD3 1 1
4 229 1 1 2 PRO HG2 H 7.280 8.005 -0.746 1.00 . A A . 2 PRO HG2 1 1
4 230 1 1 2 PRO HG3 H 8.630 7.728 0.366 1.00 . A A . 2 PRO HG3 1 1
4 231 1 1 2 PRO N N 7.154 5.497 1.307 1.00 . A A . 2 PRO N 1 1
4 232 1 1 2 PRO O O 4.728 6.838 3.639 1.00 . A A . 2 PRO O 1 1
4 233 1 1 3 GLY C C 2.966 4.714 3.479 1.00 . A A . 3 GLY C 1 1
4 234 1 1 3 GLY CA C 3.077 5.269 2.072 1.00 . A A . 3 GLY CA 1 1
4 235 1 1 3 GLY H H 4.871 5.243 0.979 1.00 . A A . 3 GLY H 1 1
4 236 1 1 3 GLY HA2 H 2.457 6.148 1.974 1.00 . A A . 3 GLY HA2 1 1
4 237 1 1 3 GLY HA3 H 2.758 4.517 1.377 1.00 . A A . 3 GLY HA3 1 1
4 238 1 1 3 GLY N N 4.457 5.604 1.780 1.00 . A A . 3 GLY N 1 1
4 239 1 1 3 GLY O O 2.038 5.037 4.220 1.00 . A A . 3 GLY O 1 1
4 240 1 1 4 CYS C C 3.088 3.993 6.135 1.00 . A A . 4 CYS C 1 1
4 241 1 1 4 CYS CA C 3.969 3.235 5.134 1.00 . A A . 4 CYS CA 1 1
4 242 1 1 4 CYS CB C 5.418 3.194 5.643 1.00 . A A . 4 CYS CB 1 1
4 243 1 1 4 CYS H H 4.620 3.641 3.168 1.00 . A A . 4 CYS H 1 1
4 244 1 1 4 CYS HA H 3.606 2.229 5.042 1.00 . A A . 4 CYS HA 1 1
4 245 1 1 4 CYS HB2 H 5.916 4.117 5.411 1.00 . A A . 4 CYS HB2 1 1
4 246 1 1 4 CYS HB3 H 5.404 3.068 6.716 1.00 . A A . 4 CYS HB3 1 1
4 247 1 1 4 CYS N N 3.929 3.865 3.825 1.00 . A A . 4 CYS N 1 1
4 248 1 1 4 CYS O O 1.865 3.863 6.095 1.00 . A A . 4 CYS O 1 1
4 249 1 1 4 CYS SG S 6.320 1.794 4.897 1.00 . A A . 4 CYS SG 1 1
4 250 1 1 5 LYS C C 1.475 5.307 7.943 1.00 . A A . 5 LYS C 1 1
4 251 1 1 5 LYS CA C 2.978 5.552 8.027 1.00 . A A . 5 LYS CA 1 1
4 252 1 1 5 LYS CB C 3.259 7.043 7.837 1.00 . A A . 5 LYS CB 1 1
4 253 1 1 5 LYS CD C 5.386 7.113 6.518 1.00 . A A . 5 LYS CD 1 1
4 254 1 1 5 LYS CE C 5.737 8.484 5.936 1.00 . A A . 5 LYS CE 1 1
4 255 1 1 5 LYS CG C 4.767 7.292 7.907 1.00 . A A . 5 LYS CG 1 1
4 256 1 1 5 LYS H H 4.683 4.840 7.003 1.00 . A A . 5 LYS H 1 1
4 257 1 1 5 LYS HA H 3.322 5.260 9.007 1.00 . A A . 5 LYS HA 1 1
4 258 1 1 5 LYS HB2 H 2.884 7.360 6.875 1.00 . A A . 5 LYS HB2 1 1
4 259 1 1 5 LYS HB3 H 2.767 7.603 8.617 1.00 . A A . 5 LYS HB3 1 1
4 260 1 1 5 LYS HD2 H 6.283 6.516 6.599 1.00 . A A . 5 LYS HD2 1 1
4 261 1 1 5 LYS HD3 H 4.680 6.618 5.869 1.00 . A A . 5 LYS HD3 1 1
4 262 1 1 5 LYS HE2 H 6.315 8.355 5.034 1.00 . A A . 5 LYS HE2 1 1
4 263 1 1 5 LYS HE3 H 4.828 9.021 5.708 1.00 . A A . 5 LYS HE3 1 1
4 264 1 1 5 LYS HG2 H 4.949 8.299 8.255 1.00 . A A . 5 LYS HG2 1 1
4 265 1 1 5 LYS HG3 H 5.217 6.588 8.592 1.00 . A A . 5 LYS HG3 1 1
4 266 1 1 5 LYS HZ1 H 5.903 9.867 7.484 1.00 . A A . 5 LYS HZ1 1 1
4 267 1 1 5 LYS HZ2 H 7.237 9.840 6.432 1.00 . A A . 5 LYS HZ2 1 1
4 268 1 1 5 LYS HZ3 H 7.022 8.597 7.570 1.00 . A A . 5 LYS HZ3 1 1
4 269 1 1 5 LYS N N 3.711 4.778 7.022 1.00 . A A . 5 LYS N 1 1
4 270 1 1 5 LYS NZ N 6.534 9.255 6.931 1.00 . A A . 5 LYS NZ 1 1
4 271 1 1 5 LYS O O 0.758 6.244 7.634 1.00 . A A . 5 LYS O 1 1
4 272 1 1 5 LYS OXT O 1.063 4.184 8.188 1.00 . A A . 5 LYS OXT 1 1
5 273 1 1 1 . C C 7.224 4.240 1.598 1.00 . A A . 1 DBB C 1 1
5 274 1 1 1 . CA C 6.918 3.874 3.049 1.00 . A A . 1 DBB CA 1 1
5 275 1 1 1 . CB C 6.587 2.382 3.138 1.00 . A A . 1 DBB CB 1 1
5 276 1 1 1 . CG C 5.310 2.106 2.335 1.00 . A A . 1 DBB CG 1 1
5 277 1 1 1 . H H 8.463 3.306 4.300 1.00 . A A . 1 DBB H 1 1
5 278 1 1 1 . H1 H 7.787 4.820 4.670 1.00 . A A . 1 DBB H1 1 1
5 279 1 1 1 . HA H 6.090 4.444 3.375 1.00 . A A . 1 DBB HA 1 1
5 280 1 1 1 . HB2 H 7.408 1.828 2.699 1.00 . A A . 1 DBB HB2 1 1
5 281 1 1 1 . HG1 H 5.057 2.978 1.747 1.00 . A A . 1 DBB HG1 1 1
5 282 1 1 1 . HG2 H 4.500 1.877 3.009 1.00 . A A . 1 DBB HG2 1 1
5 283 1 1 1 . HG3 H 5.478 1.268 1.674 1.00 . A A . 1 DBB HG3 1 1
5 284 1 1 1 . HT3 H 8.815 4.650 3.328 1.00 . A A . 1 DBB HT3 1 1
5 285 1 1 1 . N N 8.086 4.185 3.901 1.00 . A A . 1 DBB N 1 1
5 286 1 1 1 . O O 7.589 3.374 0.802 1.00 . A A . 1 DBB O 1 1
5 287 1 1 2 PRO C C 5.168 6.437 2.561 1.00 . A A . 2 PRO C 1 1
5 288 1 1 2 PRO CA C 6.628 6.590 2.148 1.00 . A A . 2 PRO CA 1 1
5 289 1 1 2 PRO CB C 6.832 7.876 1.332 1.00 . A A . 2 PRO CB 1 1
5 290 1 1 2 PRO CD C 7.293 5.988 -0.123 1.00 . A A . 2 PRO CD 1 1
5 291 1 1 2 PRO CG C 7.559 7.476 0.086 1.00 . A A . 2 PRO CG 1 1
5 292 1 1 2 PRO HA H 7.258 6.616 3.022 1.00 . A A . 2 PRO HA 1 1
5 293 1 1 2 PRO HB2 H 5.874 8.312 1.083 1.00 . A A . 2 PRO HB2 1 1
5 294 1 1 2 PRO HB3 H 7.427 8.581 1.893 1.00 . A A . 2 PRO HB3 1 1
5 295 1 1 2 PRO HD2 H 6.411 5.839 -0.733 1.00 . A A . 2 PRO HD2 1 1
5 296 1 1 2 PRO HD3 H 8.149 5.501 -0.561 1.00 . A A . 2 PRO HD3 1 1
5 297 1 1 2 PRO HG2 H 7.187 8.044 -0.756 1.00 . A A . 2 PRO HG2 1 1
5 298 1 1 2 PRO HG3 H 8.618 7.642 0.206 1.00 . A A . 2 PRO HG3 1 1
5 299 1 1 2 PRO N N 7.069 5.490 1.230 1.00 . A A . 2 PRO N 1 1
5 300 1 1 2 PRO O O 4.710 7.058 3.519 1.00 . A A . 2 PRO O 1 1
5 301 1 1 3 GLY C C 2.963 4.716 3.539 1.00 . A A . 3 GLY C 1 1
5 302 1 1 3 GLY CA C 3.067 5.305 2.146 1.00 . A A . 3 GLY CA 1 1
5 303 1 1 3 GLY H H 4.885 5.101 1.114 1.00 . A A . 3 GLY H 1 1
5 304 1 1 3 GLY HA2 H 2.490 6.215 2.085 1.00 . A A . 3 GLY HA2 1 1
5 305 1 1 3 GLY HA3 H 2.700 4.587 1.439 1.00 . A A . 3 GLY HA3 1 1
5 306 1 1 3 GLY N N 4.457 5.578 1.845 1.00 . A A . 3 GLY N 1 1
5 307 1 1 3 GLY O O 2.036 5.012 4.293 1.00 . A A . 3 GLY O 1 1
5 308 1 1 4 CYS C C 3.122 3.927 6.176 1.00 . A A . 4 CYS C 1 1
5 309 1 1 4 CYS CA C 4.002 3.210 5.144 1.00 . A A . 4 CYS CA 1 1
5 310 1 1 4 CYS CB C 5.458 3.187 5.630 1.00 . A A . 4 CYS CB 1 1
5 311 1 1 4 CYS H H 4.624 3.676 3.187 1.00 . A A . 4 CYS H 1 1
5 312 1 1 4 CYS HA H 3.659 2.200 5.030 1.00 . A A . 4 CYS HA 1 1
5 313 1 1 4 CYS HB2 H 5.939 4.120 5.394 1.00 . A A . 4 CYS HB2 1 1
5 314 1 1 4 CYS HB3 H 5.463 3.056 6.702 1.00 . A A . 4 CYS HB3 1 1
5 315 1 1 4 CYS N N 3.938 3.874 3.854 1.00 . A A . 4 CYS N 1 1
5 316 1 1 4 CYS O O 1.922 3.662 6.256 1.00 . A A . 4 CYS O 1 1
5 317 1 1 4 CYS SG S 6.368 1.807 4.861 1.00 . A A . 4 CYS SG 1 1
5 318 1 1 5 LYS C C 1.956 6.508 7.312 1.00 . A A . 5 LYS C 1 1
5 319 1 1 5 LYS CA C 2.946 5.553 7.971 1.00 . A A . 5 LYS CA 1 1
5 320 1 1 5 LYS CB C 3.895 6.342 8.874 1.00 . A A . 5 LYS CB 1 1
5 321 1 1 5 LYS CD C 6.343 6.035 8.476 1.00 . A A . 5 LYS CD 1 1
5 322 1 1 5 LYS CE C 7.576 5.215 8.859 1.00 . A A . 5 LYS CE 1 1
5 323 1 1 5 LYS CG C 5.117 5.484 9.206 1.00 . A A . 5 LYS CG 1 1
5 324 1 1 5 LYS H H 4.662 5.007 6.867 1.00 . A A . 5 LYS H 1 1
5 325 1 1 5 LYS HA H 2.401 4.843 8.574 1.00 . A A . 5 LYS HA 1 1
5 326 1 1 5 LYS HB2 H 4.212 7.241 8.365 1.00 . A A . 5 LYS HB2 1 1
5 327 1 1 5 LYS HB3 H 3.384 6.607 9.788 1.00 . A A . 5 LYS HB3 1 1
5 328 1 1 5 LYS HD2 H 6.184 5.970 7.409 1.00 . A A . 5 LYS HD2 1 1
5 329 1 1 5 LYS HD3 H 6.497 7.066 8.755 1.00 . A A . 5 LYS HD3 1 1
5 330 1 1 5 LYS HE2 H 7.655 4.357 8.208 1.00 . A A . 5 LYS HE2 1 1
5 331 1 1 5 LYS HE3 H 8.460 5.827 8.759 1.00 . A A . 5 LYS HE3 1 1
5 332 1 1 5 LYS HG2 H 5.292 5.506 10.273 1.00 . A A . 5 LYS HG2 1 1
5 333 1 1 5 LYS HG3 H 4.940 4.467 8.891 1.00 . A A . 5 LYS HG3 1 1
5 334 1 1 5 LYS HZ1 H 6.805 3.938 10.314 1.00 . A A . 5 LYS HZ1 1 1
5 335 1 1 5 LYS HZ2 H 7.060 5.529 10.853 1.00 . A A . 5 LYS HZ2 1 1
5 336 1 1 5 LYS HZ3 H 8.380 4.481 10.635 1.00 . A A . 5 LYS HZ3 1 1
5 337 1 1 5 LYS N N 3.709 4.827 6.962 1.00 . A A . 5 LYS N 1 1
5 338 1 1 5 LYS NZ N 7.446 4.756 10.272 1.00 . A A . 5 LYS NZ 1 1
5 339 1 1 5 LYS O O 1.969 6.598 6.095 1.00 . A A . 5 LYS O 1 1
5 340 1 1 5 LYS OXT O 1.200 7.136 8.035 1.00 . A A . 5 LYS OXT 1 1
6 341 1 1 1 . C C 7.243 4.246 1.625 1.00 . A A . 1 DBB C 1 1
6 342 1 1 1 . CA C 6.938 3.882 3.073 1.00 . A A . 1 DBB CA 1 1
6 343 1 1 1 . CB C 6.614 2.389 3.158 1.00 . A A . 1 DBB CB 1 1
6 344 1 1 1 . CG C 5.354 2.113 2.330 1.00 . A A . 1 DBB CG 1 1
6 345 1 1 1 . H H 8.404 3.347 4.429 1.00 . A A . 1 DBB H 1 1
6 346 1 1 1 . H1 H 7.825 4.933 4.615 1.00 . A A . 1 DBB H1 1 1
6 347 1 1 1 . HA H 6.105 4.444 3.397 1.00 . A A . 1 DBB HA 1 1
6 348 1 1 1 . HB2 H 7.446 1.839 2.734 1.00 . A A . 1 DBB HB2 1 1
6 349 1 1 1 . HG1 H 5.534 1.273 1.675 1.00 . A A . 1 DBB HG1 1 1
6 350 1 1 1 . HG2 H 5.115 2.984 1.734 1.00 . A A . 1 DBB HG2 1 1
6 351 1 1 1 . HG3 H 4.531 1.888 2.988 1.00 . A A . 1 DBB HG3 1 1
6 352 1 1 1 . HT3 H 8.876 4.552 3.334 1.00 . A A . 1 DBB HT3 1 1
6 353 1 1 1 . N N 8.099 4.201 3.927 1.00 . A A . 1 DBB N 1 1
6 354 1 1 1 . O O 7.617 3.382 0.831 1.00 . A A . 1 DBB O 1 1
6 355 1 1 2 PRO C C 5.163 6.412 2.585 1.00 . A A . 2 PRO C 1 1
6 356 1 1 2 PRO CA C 6.618 6.585 2.170 1.00 . A A . 2 PRO CA 1 1
6 357 1 1 2 PRO CB C 6.808 7.860 1.349 1.00 . A A . 2 PRO CB 1 1
6 358 1 1 2 PRO CD C 7.275 5.975 -0.116 1.00 . A A . 2 PRO CD 1 1
6 359 1 1 2 PRO CG C 6.797 7.428 -0.081 1.00 . A A . 2 PRO CG 1 1
6 360 1 1 2 PRO HA H 7.250 6.622 3.042 1.00 . A A . 2 PRO HA 1 1
6 361 1 1 2 PRO HB2 H 5.997 8.550 1.540 1.00 . A A . 2 PRO HB2 1 1
6 362 1 1 2 PRO HB3 H 7.754 8.319 1.587 1.00 . A A . 2 PRO HB3 1 1
6 363 1 1 2 PRO HD2 H 6.680 5.397 -0.810 1.00 . A A . 2 PRO HD2 1 1
6 364 1 1 2 PRO HD3 H 8.319 5.922 -0.373 1.00 . A A . 2 PRO HD3 1 1
6 365 1 1 2 PRO HG2 H 5.792 7.498 -0.477 1.00 . A A . 2 PRO HG2 1 1
6 366 1 1 2 PRO HG3 H 7.467 8.043 -0.658 1.00 . A A . 2 PRO HG3 1 1
6 367 1 1 2 PRO N N 7.070 5.491 1.252 1.00 . A A . 2 PRO N 1 1
6 368 1 1 2 PRO O O 4.713 6.975 3.582 1.00 . A A . 2 PRO O 1 1
6 369 1 1 3 GLY C C 2.963 4.716 3.518 1.00 . A A . 3 GLY C 1 1
6 370 1 1 3 GLY CA C 3.066 5.297 2.123 1.00 . A A . 3 GLY CA 1 1
6 371 1 1 3 GLY H H 4.876 5.158 1.068 1.00 . A A . 3 GLY H 1 1
6 372 1 1 3 GLY HA2 H 2.472 6.197 2.051 1.00 . A A . 3 GLY HA2 1 1
6 373 1 1 3 GLY HA3 H 2.715 4.568 1.419 1.00 . A A . 3 GLY HA3 1 1
6 374 1 1 3 GLY N N 4.451 5.592 1.826 1.00 . A A . 3 GLY N 1 1
6 375 1 1 3 GLY O O 2.035 5.013 4.269 1.00 . A A . 3 GLY O 1 1
6 376 1 1 4 CYS C C 3.120 3.954 6.158 1.00 . A A . 4 CYS C 1 1
6 377 1 1 4 CYS CA C 4.001 3.223 5.138 1.00 . A A . 4 CYS CA 1 1
6 378 1 1 4 CYS CB C 5.453 3.196 5.634 1.00 . A A . 4 CYS CB 1 1
6 379 1 1 4 CYS H H 4.632 3.676 3.178 1.00 . A A . 4 CYS H 1 1
6 380 1 1 4 CYS HA H 3.651 2.213 5.032 1.00 . A A . 4 CYS HA 1 1
6 381 1 1 4 CYS HB2 H 5.939 4.127 5.401 1.00 . A A . 4 CYS HB2 1 1
6 382 1 1 4 CYS HB3 H 5.450 3.066 6.707 1.00 . A A . 4 CYS HB3 1 1
6 383 1 1 4 CYS N N 3.941 3.877 3.842 1.00 . A A . 4 CYS N 1 1
6 384 1 1 4 CYS O O 1.909 3.742 6.197 1.00 . A A . 4 CYS O 1 1
6 385 1 1 4 CYS SG S 6.365 1.812 4.876 1.00 . A A . 4 CYS SG 1 1
6 386 1 1 5 LYS C C 2.023 4.619 8.739 1.00 . A A . 5 LYS C 1 1
6 387 1 1 5 LYS CA C 2.959 5.553 7.978 1.00 . A A . 5 LYS CA 1 1
6 388 1 1 5 LYS CB C 2.143 6.655 7.299 1.00 . A A . 5 LYS CB 1 1
6 389 1 1 5 LYS CD C 3.840 8.484 7.128 1.00 . A A . 5 LYS CD 1 1
6 390 1 1 5 LYS CE C 5.193 8.710 6.450 1.00 . A A . 5 LYS CE 1 1
6 391 1 1 5 LYS CG C 3.042 7.443 6.342 1.00 . A A . 5 LYS CG 1 1
6 392 1 1 5 LYS H H 4.684 4.955 6.916 1.00 . A A . 5 LYS H 1 1
6 393 1 1 5 LYS HA H 3.646 6.008 8.677 1.00 . A A . 5 LYS HA 1 1
6 394 1 1 5 LYS HB2 H 1.330 6.208 6.744 1.00 . A A . 5 LYS HB2 1 1
6 395 1 1 5 LYS HB3 H 1.746 7.323 8.047 1.00 . A A . 5 LYS HB3 1 1
6 396 1 1 5 LYS HD2 H 3.290 9.414 7.154 1.00 . A A . 5 LYS HD2 1 1
6 397 1 1 5 LYS HD3 H 3.999 8.131 8.135 1.00 . A A . 5 LYS HD3 1 1
6 398 1 1 5 LYS HE2 H 5.942 8.094 6.926 1.00 . A A . 5 LYS HE2 1 1
6 399 1 1 5 LYS HE3 H 5.120 8.444 5.405 1.00 . A A . 5 LYS HE3 1 1
6 400 1 1 5 LYS HG2 H 3.723 6.765 5.848 1.00 . A A . 5 LYS HG2 1 1
6 401 1 1 5 LYS HG3 H 2.432 7.942 5.604 1.00 . A A . 5 LYS HG3 1 1
6 402 1 1 5 LYS HZ1 H 4.754 10.701 6.870 1.00 . A A . 5 LYS HZ1 1 1
6 403 1 1 5 LYS HZ2 H 5.918 10.491 5.652 1.00 . A A . 5 LYS HZ2 1 1
6 404 1 1 5 LYS HZ3 H 6.333 10.241 7.279 1.00 . A A . 5 LYS HZ3 1 1
6 405 1 1 5 LYS N N 3.722 4.813 6.980 1.00 . A A . 5 LYS N 1 1
6 406 1 1 5 LYS NZ N 5.579 10.144 6.572 1.00 . A A . 5 LYS NZ 1 1
6 407 1 1 5 LYS O O 1.349 5.091 9.639 1.00 . A A . 5 LYS O 1 1
6 408 1 1 5 LYS OXT O 1.996 3.444 8.411 1.00 . A A . 5 LYS OXT 1 1
7 409 1 1 1 . C C 7.027 4.261 1.416 1.00 . A A . 1 DBB C 1 1
7 410 1 1 1 . CA C 6.830 3.828 2.865 1.00 . A A . 1 DBB CA 1 1
7 411 1 1 1 . CB C 6.451 2.342 2.876 1.00 . A A . 1 DBB CB 1 1
7 412 1 1 1 . CG C 5.103 2.173 2.163 1.00 . A A . 1 DBB CG 1 1
7 413 1 1 1 . H H 8.421 3.135 3.997 1.00 . A A . 1 DBB H 1 1
7 414 1 1 1 . H1 H 7.899 4.698 4.410 1.00 . A A . 1 DBB H1 1 1
7 415 1 1 1 . HA H 6.050 4.410 3.303 1.00 . A A . 1 DBB HA 1 1
7 416 1 1 1 . HB2 H 7.210 1.802 2.324 1.00 . A A . 1 DBB HB2 1 1
7 417 1 1 1 . HG1 H 4.825 3.106 1.689 1.00 . A A . 1 DBB HG1 1 1
7 418 1 1 1 . HG2 H 4.348 1.890 2.876 1.00 . A A . 1 DBB HG2 1 1
7 419 1 1 1 . HG3 H 5.192 1.405 1.409 1.00 . A A . 1 DBB HG3 1 1
7 420 1 1 1 . HT3 H 8.801 4.448 2.992 1.00 . A A . 1 DBB HT3 1 1
7 421 1 1 1 . N N 8.084 4.042 3.623 1.00 . A A . 1 DBB N 1 1
7 422 1 1 1 . O O 7.267 3.425 0.545 1.00 . A A . 1 DBB O 1 1
7 423 1 1 2 PRO C C 5.168 6.537 2.608 1.00 . A A . 2 PRO C 1 1
7 424 1 1 2 PRO CA C 6.619 6.580 2.148 1.00 . A A . 2 PRO CA 1 1
7 425 1 1 2 PRO CB C 6.929 7.891 1.422 1.00 . A A . 2 PRO CB 1 1
7 426 1 1 2 PRO CD C 7.025 6.091 -0.218 1.00 . A A . 2 PRO CD 1 1
7 427 1 1 2 PRO CG C 6.783 7.593 -0.035 1.00 . A A . 2 PRO CG 1 1
7 428 1 1 2 PRO HA H 7.280 6.472 2.992 1.00 . A A . 2 PRO HA 1 1
7 429 1 1 2 PRO HB2 H 6.226 8.656 1.721 1.00 . A A . 2 PRO HB2 1 1
7 430 1 1 2 PRO HB3 H 7.939 8.207 1.634 1.00 . A A . 2 PRO HB3 1 1
7 431 1 1 2 PRO HD2 H 6.270 5.664 -0.866 1.00 . A A . 2 PRO HD2 1 1
7 432 1 1 2 PRO HD3 H 8.011 5.908 -0.611 1.00 . A A . 2 PRO HD3 1 1
7 433 1 1 2 PRO HG2 H 5.786 7.851 -0.365 1.00 . A A . 2 PRO HG2 1 1
7 434 1 1 2 PRO HG3 H 7.515 8.147 -0.600 1.00 . A A . 2 PRO HG3 1 1
7 435 1 1 2 PRO N N 6.909 5.531 1.131 1.00 . A A . 2 PRO N 1 1
7 436 1 1 2 PRO O O 4.747 7.320 3.458 1.00 . A A . 2 PRO O 1 1
7 437 1 1 3 GLY C C 2.983 4.706 3.764 1.00 . A A . 3 GLY C 1 1
7 438 1 1 3 GLY CA C 3.033 5.407 2.428 1.00 . A A . 3 GLY CA 1 1
7 439 1 1 3 GLY H H 4.823 4.977 1.409 1.00 . A A . 3 GLY H 1 1
7 440 1 1 3 GLY HA2 H 2.538 6.366 2.490 1.00 . A A . 3 GLY HA2 1 1
7 441 1 1 3 GLY HA3 H 2.556 4.791 1.690 1.00 . A A . 3 GLY HA3 1 1
7 442 1 1 3 GLY N N 4.422 5.588 2.057 1.00 . A A . 3 GLY N 1 1
7 443 1 1 3 GLY O O 2.108 4.952 4.596 1.00 . A A . 3 GLY O 1 1
7 444 1 1 4 CYS C C 3.307 3.670 6.306 1.00 . A A . 4 CYS C 1 1
7 445 1 1 4 CYS CA C 4.083 3.049 5.146 1.00 . A A . 4 CYS CA 1 1
7 446 1 1 4 CYS CB C 5.568 2.949 5.514 1.00 . A A . 4 CYS CB 1 1
7 447 1 1 4 CYS H H 4.589 3.680 3.218 1.00 . A A . 4 CYS H 1 1
7 448 1 1 4 CYS HA H 3.708 2.075 4.958 1.00 . A A . 4 CYS HA 1 1
7 449 1 1 4 CYS HB2 H 6.057 3.887 5.320 1.00 . A A . 4 CYS HB2 1 1
7 450 1 1 4 CYS HB3 H 5.651 2.722 6.567 1.00 . A A . 4 CYS HB3 1 1
7 451 1 1 4 CYS N N 3.950 3.826 3.940 1.00 . A A . 4 CYS N 1 1
7 452 1 1 4 CYS O O 2.468 3.011 6.918 1.00 . A A . 4 CYS O 1 1
7 453 1 1 4 CYS SG S 6.369 1.625 4.558 1.00 . A A . 4 CYS SG 1 1
7 454 1 1 5 LYS C C 1.394 5.521 7.528 1.00 . A A . 5 LYS C 1 1
7 455 1 1 5 LYS CA C 2.909 5.622 7.688 1.00 . A A . 5 LYS CA 1 1
7 456 1 1 5 LYS CB C 3.321 7.093 7.697 1.00 . A A . 5 LYS CB 1 1
7 457 1 1 5 LYS CD C 5.544 8.234 7.643 1.00 . A A . 5 LYS CD 1 1
7 458 1 1 5 LYS CE C 6.351 7.487 6.580 1.00 . A A . 5 LYS CE 1 1
7 459 1 1 5 LYS CG C 4.668 7.241 8.408 1.00 . A A . 5 LYS CG 1 1
7 460 1 1 5 LYS H H 4.266 5.403 6.084 1.00 . A A . 5 LYS H 1 1
7 461 1 1 5 LYS HA H 3.195 5.173 8.626 1.00 . A A . 5 LYS HA 1 1
7 462 1 1 5 LYS HB2 H 3.408 7.448 6.680 1.00 . A A . 5 LYS HB2 1 1
7 463 1 1 5 LYS HB3 H 2.575 7.668 8.218 1.00 . A A . 5 LYS HB3 1 1
7 464 1 1 5 LYS HD2 H 4.917 8.974 7.166 1.00 . A A . 5 LYS HD2 1 1
7 465 1 1 5 LYS HD3 H 6.220 8.722 8.329 1.00 . A A . 5 LYS HD3 1 1
7 466 1 1 5 LYS HE2 H 5.777 6.647 6.217 1.00 . A A . 5 LYS HE2 1 1
7 467 1 1 5 LYS HE3 H 6.570 8.154 5.760 1.00 . A A . 5 LYS HE3 1 1
7 468 1 1 5 LYS HG2 H 4.505 7.601 9.413 1.00 . A A . 5 LYS HG2 1 1
7 469 1 1 5 LYS HG3 H 5.162 6.281 8.445 1.00 . A A . 5 LYS HG3 1 1
7 470 1 1 5 LYS HZ1 H 8.085 7.765 7.702 1.00 . A A . 5 LYS HZ1 1 1
7 471 1 1 5 LYS HZ2 H 8.259 6.667 6.417 1.00 . A A . 5 LYS HZ2 1 1
7 472 1 1 5 LYS HZ3 H 7.426 6.207 7.824 1.00 . A A . 5 LYS HZ3 1 1
7 473 1 1 5 LYS N N 3.589 4.929 6.601 1.00 . A A . 5 LYS N 1 1
7 474 1 1 5 LYS NZ N 7.626 6.994 7.176 1.00 . A A . 5 LYS NZ 1 1
7 475 1 1 5 LYS O O 0.887 4.412 7.555 1.00 . A A . 5 LYS O 1 1
7 476 1 1 5 LYS OXT O 0.764 6.555 7.383 1.00 . A A . 5 LYS OXT 1 1
8 477 1 1 1 . C C 7.267 4.236 1.638 1.00 . A A . 1 DBB C 1 1
8 478 1 1 1 . CA C 6.927 3.875 3.081 1.00 . A A . 1 DBB CA 1 1
8 479 1 1 1 . CB C 6.600 2.382 3.169 1.00 . A A . 1 DBB CB 1 1
8 480 1 1 1 . CG C 5.340 2.102 2.340 1.00 . A A . 1 DBB CG 1 1
8 481 1 1 1 . H H 7.831 5.022 4.545 1.00 . A A . 1 DBB H 1 1
8 482 1 1 1 . H1 H 8.903 4.408 3.378 1.00 . A A . 1 DBB H1 1 1
8 483 1 1 1 . HA H 6.089 4.440 3.384 1.00 . A A . 1 DBB HA 1 1
8 484 1 1 1 . HB2 H 7.432 1.829 2.748 1.00 . A A . 1 DBB HB2 1 1
8 485 1 1 1 . HG1 H 5.103 2.970 1.740 1.00 . A A . 1 DBB HG1 1 1
8 486 1 1 1 . HG2 H 4.515 1.882 2.999 1.00 . A A . 1 DBB HG2 1 1
8 487 1 1 1 . HG3 H 5.518 1.258 1.692 1.00 . A A . 1 DBB HG3 1 1
8 488 1 1 1 . HT3 H 8.269 3.384 4.576 1.00 . A A . 1 DBB HT3 1 1
8 489 1 1 1 . N N 8.071 4.195 3.962 1.00 . A A . 1 DBB N 1 1
8 490 1 1 1 . O O 7.664 3.370 0.859 1.00 . A A . 1 DBB O 1 1
8 491 1 1 2 PRO C C 5.176 6.400 2.570 1.00 . A A . 2 PRO C 1 1
8 492 1 1 2 PRO CA C 6.630 6.591 2.146 1.00 . A A . 2 PRO CA 1 1
8 493 1 1 2 PRO CB C 6.783 7.860 1.295 1.00 . A A . 2 PRO CB 1 1
8 494 1 1 2 PRO CD C 7.366 5.966 -0.100 1.00 . A A . 2 PRO CD 1 1
8 495 1 1 2 PRO CG C 7.582 7.463 0.093 1.00 . A A . 2 PRO CG 1 1
8 496 1 1 2 PRO HA H 7.262 6.665 3.016 1.00 . A A . 2 PRO HA 1 1
8 497 1 1 2 PRO HB2 H 5.811 8.224 0.994 1.00 . A A . 2 PRO HB2 1 1
8 498 1 1 2 PRO HB3 H 7.311 8.620 1.850 1.00 . A A . 2 PRO HB3 1 1
8 499 1 1 2 PRO HD2 H 6.512 5.782 -0.739 1.00 . A A . 2 PRO HD2 1 1
8 500 1 1 2 PRO HD3 H 8.252 5.498 -0.499 1.00 . A A . 2 PRO HD3 1 1
8 501 1 1 2 PRO HG2 H 7.234 8.006 -0.776 1.00 . A A . 2 PRO HG2 1 1
8 502 1 1 2 PRO HG3 H 8.628 7.661 0.261 1.00 . A A . 2 PRO HG3 1 1
8 503 1 1 2 PRO N N 7.108 5.482 1.254 1.00 . A A . 2 PRO N 1 1
8 504 1 1 2 PRO O O 4.731 6.946 3.580 1.00 . A A . 2 PRO O 1 1
8 505 1 1 3 GLY C C 2.968 4.723 3.508 1.00 . A A . 3 GLY C 1 1
8 506 1 1 3 GLY CA C 3.074 5.290 2.106 1.00 . A A . 3 GLY CA 1 1
8 507 1 1 3 GLY H H 4.876 5.175 1.033 1.00 . A A . 3 GLY H 1 1
8 508 1 1 3 GLY HA2 H 2.475 6.185 2.024 1.00 . A A . 3 GLY HA2 1 1
8 509 1 1 3 GLY HA3 H 2.727 4.552 1.408 1.00 . A A . 3 GLY HA3 1 1
8 510 1 1 3 GLY N N 4.459 5.593 1.804 1.00 . A A . 3 GLY N 1 1
8 511 1 1 3 GLY O O 2.041 5.035 4.255 1.00 . A A . 3 GLY O 1 1
8 512 1 1 4 CYS C C 3.110 3.982 6.157 1.00 . A A . 4 CYS C 1 1
8 513 1 1 4 CYS CA C 3.990 3.237 5.145 1.00 . A A . 4 CYS CA 1 1
8 514 1 1 4 CYS CB C 5.443 3.208 5.640 1.00 . A A . 4 CYS CB 1 1
8 515 1 1 4 CYS H H 4.625 3.664 3.180 1.00 . A A . 4 CYS H 1 1
8 516 1 1 4 CYS HA H 3.636 2.227 5.047 1.00 . A A . 4 CYS HA 1 1
8 517 1 1 4 CYS HB2 H 5.932 4.135 5.399 1.00 . A A . 4 CYS HB2 1 1
8 518 1 1 4 CYS HB3 H 5.440 3.086 6.713 1.00 . A A . 4 CYS HB3 1 1
8 519 1 1 4 CYS N N 3.937 3.878 3.841 1.00 . A A . 4 CYS N 1 1
8 520 1 1 4 CYS O O 1.889 3.819 6.153 1.00 . A A . 4 CYS O 1 1
8 521 1 1 4 CYS SG S 6.346 1.813 4.889 1.00 . A A . 4 CYS SG 1 1
8 522 1 1 5 LYS C C 3.015 7.037 7.726 1.00 . A A . 5 LYS C 1 1
8 523 1 1 5 LYS CA C 2.951 5.540 8.012 1.00 . A A . 5 LYS CA 1 1
8 524 1 1 5 LYS CB C 3.501 5.263 9.413 1.00 . A A . 5 LYS CB 1 1
8 525 1 1 5 LYS CD C 5.677 4.071 9.741 1.00 . A A . 5 LYS CD 1 1
8 526 1 1 5 LYS CE C 7.199 4.208 9.666 1.00 . A A . 5 LYS CE 1 1
8 527 1 1 5 LYS CG C 5.025 5.415 9.406 1.00 . A A . 5 LYS CG 1 1
8 528 1 1 5 LYS H H 4.686 4.899 6.991 1.00 . A A . 5 LYS H 1 1
8 529 1 1 5 LYS HA H 1.922 5.218 7.973 1.00 . A A . 5 LYS HA 1 1
8 530 1 1 5 LYS HB2 H 3.073 5.966 10.113 1.00 . A A . 5 LYS HB2 1 1
8 531 1 1 5 LYS HB3 H 3.242 4.258 9.708 1.00 . A A . 5 LYS HB3 1 1
8 532 1 1 5 LYS HD2 H 5.390 3.772 10.739 1.00 . A A . 5 LYS HD2 1 1
8 533 1 1 5 LYS HD3 H 5.349 3.325 9.034 1.00 . A A . 5 LYS HD3 1 1
8 534 1 1 5 LYS HE2 H 7.565 3.679 8.799 1.00 . A A . 5 LYS HE2 1 1
8 535 1 1 5 LYS HE3 H 7.463 5.252 9.588 1.00 . A A . 5 LYS HE3 1 1
8 536 1 1 5 LYS HG2 H 5.351 5.739 8.428 1.00 . A A . 5 LYS HG2 1 1
8 537 1 1 5 LYS HG3 H 5.318 6.147 10.143 1.00 . A A . 5 LYS HG3 1 1
8 538 1 1 5 LYS HZ1 H 8.668 3.103 10.642 1.00 . A A . 5 LYS HZ1 1 1
8 539 1 1 5 LYS HZ2 H 7.130 2.990 11.353 1.00 . A A . 5 LYS HZ2 1 1
8 540 1 1 5 LYS HZ3 H 8.060 4.397 11.552 1.00 . A A . 5 LYS HZ3 1 1
8 541 1 1 5 LYS N N 3.717 4.796 7.019 1.00 . A A . 5 LYS N 1 1
8 542 1 1 5 LYS NZ N 7.810 3.631 10.896 1.00 . A A . 5 LYS NZ 1 1
8 543 1 1 5 LYS O O 2.720 7.418 6.605 1.00 . A A . 5 LYS O 1 1
8 544 1 1 5 LYS OXT O 3.356 7.780 8.631 1.00 . A A . 5 LYS OXT 1 1
9 545 1 1 1 . C C 7.247 4.240 1.621 1.00 . A A . 1 DBB C 1 1
9 546 1 1 1 . CA C 6.918 3.872 3.065 1.00 . A A . 1 DBB CA 1 1
9 547 1 1 1 . CB C 6.589 2.379 3.146 1.00 . A A . 1 DBB CB 1 1
9 548 1 1 1 . CG C 5.322 2.106 2.327 1.00 . A A . 1 DBB CG 1 1
9 549 1 1 1 . H H 7.724 4.386 4.899 1.00 . A A . 1 DBB H 1 1
9 550 1 1 1 . H1 H 8.563 5.021 3.564 1.00 . A A . 1 DBB H1 1 1
9 551 1 1 1 . HA H 6.083 4.437 3.378 1.00 . A A . 1 DBB HA 1 1
9 552 1 1 1 . HB2 H 7.417 1.829 2.714 1.00 . A A . 1 DBB HB2 1 1
9 553 1 1 1 . HG1 H 5.077 2.981 1.739 1.00 . A A . 1 DBB HG1 1 1
9 554 1 1 1 . HG2 H 4.506 1.876 2.992 1.00 . A A . 1 DBB HG2 1 1
9 555 1 1 1 . HG3 H 5.497 1.271 1.667 1.00 . A A . 1 DBB HG3 1 1
9 556 1 1 1 . HT3 H 8.714 3.376 3.963 1.00 . A A . 1 DBB HT3 1 1
9 557 1 1 1 . N N 8.069 4.187 3.938 1.00 . A A . 1 DBB N 1 1
9 558 1 1 1 . O O 7.631 3.375 0.834 1.00 . A A . 1 DBB O 1 1
9 559 1 1 2 PRO C C 5.173 6.424 2.571 1.00 . A A . 2 PRO C 1 1
9 560 1 1 2 PRO CA C 6.629 6.594 2.149 1.00 . A A . 2 PRO CA 1 1
9 561 1 1 2 PRO CB C 6.803 7.869 1.310 1.00 . A A . 2 PRO CB 1 1
9 562 1 1 2 PRO CD C 7.342 5.978 -0.107 1.00 . A A . 2 PRO CD 1 1
9 563 1 1 2 PRO CG C 7.580 7.470 0.094 1.00 . A A . 2 PRO CG 1 1
9 564 1 1 2 PRO HA H 7.261 6.650 3.019 1.00 . A A . 2 PRO HA 1 1
9 565 1 1 2 PRO HB2 H 5.835 8.260 1.024 1.00 . A A . 2 PRO HB2 1 1
9 566 1 1 2 PRO HB3 H 7.353 8.610 1.869 1.00 . A A . 2 PRO HB3 1 1
9 567 1 1 2 PRO HD2 H 6.479 5.810 -0.738 1.00 . A A . 2 PRO HD2 1 1
9 568 1 1 2 PRO HD3 H 8.216 5.501 -0.519 1.00 . A A . 2 PRO HD3 1 1
9 569 1 1 2 PRO HG2 H 7.228 8.024 -0.766 1.00 . A A . 2 PRO HG2 1 1
9 570 1 1 2 PRO HG3 H 8.631 7.652 0.249 1.00 . A A . 2 PRO HG3 1 1
9 571 1 1 2 PRO N N 7.093 5.489 1.246 1.00 . A A . 2 PRO N 1 1
9 572 1 1 2 PRO O O 4.722 7.015 3.552 1.00 . A A . 2 PRO O 1 1
9 573 1 1 3 GLY C C 2.966 4.716 3.535 1.00 . A A . 3 GLY C 1 1
9 574 1 1 3 GLY CA C 3.069 5.300 2.140 1.00 . A A . 3 GLY CA 1 1
9 575 1 1 3 GLY H H 4.878 5.133 1.085 1.00 . A A . 3 GLY H 1 1
9 576 1 1 3 GLY HA2 H 2.484 6.206 2.075 1.00 . A A . 3 GLY HA2 1 1
9 577 1 1 3 GLY HA3 H 2.706 4.578 1.435 1.00 . A A . 3 GLY HA3 1 1
9 578 1 1 3 GLY N N 4.457 5.585 1.836 1.00 . A A . 3 GLY N 1 1
9 579 1 1 3 GLY O O 2.041 5.019 4.289 1.00 . A A . 3 GLY O 1 1
9 580 1 1 4 CYS C C 3.119 3.937 6.172 1.00 . A A . 4 CYS C 1 1
9 581 1 1 4 CYS CA C 3.995 3.211 5.145 1.00 . A A . 4 CYS CA 1 1
9 582 1 1 4 CYS CB C 5.451 3.180 5.633 1.00 . A A . 4 CYS CB 1 1
9 583 1 1 4 CYS H H 4.621 3.665 3.187 1.00 . A A . 4 CYS H 1 1
9 584 1 1 4 CYS HA H 3.646 2.204 5.036 1.00 . A A . 4 CYS HA 1 1
9 585 1 1 4 CYS HB2 H 5.937 4.109 5.397 1.00 . A A . 4 CYS HB2 1 1
9 586 1 1 4 CYS HB3 H 5.455 3.048 6.705 1.00 . A A . 4 CYS HB3 1 1
9 587 1 1 4 CYS N N 3.936 3.869 3.853 1.00 . A A . 4 CYS N 1 1
9 588 1 1 4 CYS O O 1.913 3.700 6.234 1.00 . A A . 4 CYS O 1 1
9 589 1 1 4 CYS SG S 6.354 1.795 4.863 1.00 . A A . 4 CYS SG 1 1
9 590 1 1 5 LYS C C 1.558 5.884 7.449 1.00 . A A . 5 LYS C 1 1
9 591 1 1 5 LYS CA C 2.950 5.552 7.975 1.00 . A A . 5 LYS CA 1 1
9 592 1 1 5 LYS CB C 3.680 6.845 8.342 1.00 . A A . 5 LYS CB 1 1
9 593 1 1 5 LYS CD C 5.499 6.819 6.630 1.00 . A A . 5 LYS CD 1 1
9 594 1 1 5 LYS CE C 6.072 8.213 6.367 1.00 . A A . 5 LYS CE 1 1
9 595 1 1 5 LYS CG C 5.182 6.666 8.118 1.00 . A A . 5 LYS CG 1 1
9 596 1 1 5 LYS H H 4.672 4.980 6.893 1.00 . A A . 5 LYS H 1 1
9 597 1 1 5 LYS HA H 2.856 4.941 8.860 1.00 . A A . 5 LYS HA 1 1
9 598 1 1 5 LYS HB2 H 3.315 7.652 7.723 1.00 . A A . 5 LYS HB2 1 1
9 599 1 1 5 LYS HB3 H 3.497 7.076 9.380 1.00 . A A . 5 LYS HB3 1 1
9 600 1 1 5 LYS HD2 H 6.221 6.071 6.337 1.00 . A A . 5 LYS HD2 1 1
9 601 1 1 5 LYS HD3 H 4.593 6.690 6.054 1.00 . A A . 5 LYS HD3 1 1
9 602 1 1 5 LYS HE2 H 6.448 8.263 5.355 1.00 . A A . 5 LYS HE2 1 1
9 603 1 1 5 LYS HE3 H 5.297 8.952 6.501 1.00 . A A . 5 LYS HE3 1 1
9 604 1 1 5 LYS HG2 H 5.722 7.415 8.681 1.00 . A A . 5 LYS HG2 1 1
9 605 1 1 5 LYS HG3 H 5.481 5.683 8.448 1.00 . A A . 5 LYS HG3 1 1
9 606 1 1 5 LYS HZ1 H 6.809 8.954 8.168 1.00 . A A . 5 LYS HZ1 1 1
9 607 1 1 5 LYS HZ2 H 7.892 9.093 6.866 1.00 . A A . 5 LYS HZ2 1 1
9 608 1 1 5 LYS HZ3 H 7.628 7.582 7.599 1.00 . A A . 5 LYS HZ3 1 1
9 609 1 1 5 LYS N N 3.714 4.819 6.973 1.00 . A A . 5 LYS N 1 1
9 610 1 1 5 LYS NZ N 7.184 8.480 7.322 1.00 . A A . 5 LYS NZ 1 1
9 611 1 1 5 LYS O O 1.405 6.940 6.858 1.00 . A A . 5 LYS O 1 1
9 612 1 1 5 LYS OXT O 0.664 5.077 7.645 1.00 . A A . 5 LYS OXT 1 1
10 613 1 1 1 . C C 7.177 4.249 1.557 1.00 . A A . 1 DBB C 1 1
10 614 1 1 1 . CA C 6.878 3.860 3.001 1.00 . A A . 1 DBB CA 1 1
10 615 1 1 1 . CB C 6.547 2.365 3.056 1.00 . A A . 1 DBB CB 1 1
10 616 1 1 1 . CG C 5.250 2.116 2.278 1.00 . A A . 1 DBB CG 1 1
10 617 1 1 1 . H H 8.793 4.591 3.279 1.00 . A A . 1 DBB H 1 1
10 618 1 1 1 . H1 H 8.399 3.269 4.273 1.00 . A A . 1 DBB H1 1 1
10 619 1 1 1 . HA H 6.051 4.424 3.342 1.00 . A A . 1 DBB HA 1 1
10 620 1 1 1 . HB2 H 7.356 1.825 2.578 1.00 . A A . 1 DBB HB2 1 1
10 621 1 1 1 . HG1 H 5.399 1.299 1.587 1.00 . A A . 1 DBB HG1 1 1
10 622 1 1 1 . HG2 H 4.982 3.006 1.727 1.00 . A A . 1 DBB HG2 1 1
10 623 1 1 1 . HG3 H 4.458 1.865 2.965 1.00 . A A . 1 DBB HG3 1 1
10 624 1 1 1 . HT3 H 7.765 4.809 4.610 1.00 . A A . 1 DBB HT3 1 1
10 625 1 1 1 . N N 8.048 4.153 3.855 1.00 . A A . 1 DBB N 1 1
10 626 1 1 1 . O O 7.516 3.393 0.740 1.00 . A A . 1 DBB O 1 1
10 627 1 1 2 PRO C C 5.165 6.489 2.572 1.00 . A A . 2 PRO C 1 1
10 628 1 1 2 PRO CA C 6.629 6.600 2.152 1.00 . A A . 2 PRO CA 1 1
10 629 1 1 2 PRO CB C 6.866 7.893 1.355 1.00 . A A . 2 PRO CB 1 1
10 630 1 1 2 PRO CD C 7.254 6.022 -0.136 1.00 . A A . 2 PRO CD 1 1
10 631 1 1 2 PRO CG C 7.583 7.492 0.104 1.00 . A A . 2 PRO CG 1 1
10 632 1 1 2 PRO HA H 7.264 6.596 3.023 1.00 . A A . 2 PRO HA 1 1
10 633 1 1 2 PRO HB2 H 5.919 8.355 1.112 1.00 . A A . 2 PRO HB2 1 1
10 634 1 1 2 PRO HB3 H 7.477 8.574 1.926 1.00 . A A . 2 PRO HB3 1 1
10 635 1 1 2 PRO HD2 H 6.354 5.924 -0.728 1.00 . A A . 2 PRO HD2 1 1
10 636 1 1 2 PRO HD3 H 8.080 5.511 -0.602 1.00 . A A . 2 PRO HD3 1 1
10 637 1 1 2 PRO HG2 H 7.238 8.093 -0.728 1.00 . A A . 2 PRO HG2 1 1
10 638 1 1 2 PRO HG3 H 8.647 7.609 0.231 1.00 . A A . 2 PRO HG3 1 1
10 639 1 1 2 PRO N N 7.039 5.507 1.212 1.00 . A A . 2 PRO N 1 1
10 640 1 1 2 PRO O O 4.709 7.200 3.467 1.00 . A A . 2 PRO O 1 1
10 641 1 1 3 GLY C C 2.963 4.703 3.629 1.00 . A A . 3 GLY C 1 1
10 642 1 1 3 GLY CA C 3.052 5.340 2.259 1.00 . A A . 3 GLY CA 1 1
10 643 1 1 3 GLY H H 4.871 5.024 1.253 1.00 . A A . 3 GLY H 1 1
10 644 1 1 3 GLY HA2 H 2.510 6.276 2.249 1.00 . A A . 3 GLY HA2 1 1
10 645 1 1 3 GLY HA3 H 2.638 4.667 1.534 1.00 . A A . 3 GLY HA3 1 1
10 646 1 1 3 GLY N N 4.448 5.572 1.936 1.00 . A A . 3 GLY N 1 1
10 647 1 1 3 GLY O O 2.055 4.978 4.412 1.00 . A A . 3 GLY O 1 1
10 648 1 1 4 CYS C C 3.169 3.798 6.227 1.00 . A A . 4 CYS C 1 1
10 649 1 1 4 CYS CA C 4.023 3.128 5.145 1.00 . A A . 4 CYS CA 1 1
10 650 1 1 4 CYS CB C 5.489 3.092 5.594 1.00 . A A . 4 CYS CB 1 1
10 651 1 1 4 CYS H H 4.602 3.664 3.201 1.00 . A A . 4 CYS H 1 1
10 652 1 1 4 CYS HA H 3.682 2.128 4.995 1.00 . A A . 4 CYS HA 1 1
10 653 1 1 4 CYS HB2 H 5.965 4.030 5.369 1.00 . A A . 4 CYS HB2 1 1
10 654 1 1 4 CYS HB3 H 5.524 2.932 6.662 1.00 . A A . 4 CYS HB3 1 1
10 655 1 1 4 CYS N N 3.933 3.841 3.890 1.00 . A A . 4 CYS N 1 1
10 656 1 1 4 CYS O O 2.064 3.342 6.520 1.00 . A A . 4 CYS O 1 1
10 657 1 1 4 CYS SG S 6.378 1.735 4.765 1.00 . A A . 4 CYS SG 1 1
10 658 1 1 5 LYS C C 2.561 6.987 7.374 1.00 . A A . 5 LYS C 1 1
10 659 1 1 5 LYS CA C 2.940 5.590 7.853 1.00 . A A . 5 LYS CA 1 1
10 660 1 1 5 LYS CB C 3.780 5.695 9.134 1.00 . A A . 5 LYS CB 1 1
10 661 1 1 5 LYS CD C 5.412 7.555 8.719 1.00 . A A . 5 LYS CD 1 1
10 662 1 1 5 LYS CE C 6.441 7.910 7.641 1.00 . A A . 5 LYS CE 1 1
10 663 1 1 5 LYS CG C 5.237 6.033 8.793 1.00 . A A . 5 LYS CG 1 1
10 664 1 1 5 LYS H H 4.552 5.204 6.545 1.00 . A A . 5 LYS H 1 1
10 665 1 1 5 LYS HA H 2.036 5.042 8.074 1.00 . A A . 5 LYS HA 1 1
10 666 1 1 5 LYS HB2 H 3.371 6.470 9.765 1.00 . A A . 5 LYS HB2 1 1
10 667 1 1 5 LYS HB3 H 3.746 4.753 9.660 1.00 . A A . 5 LYS HB3 1 1
10 668 1 1 5 LYS HD2 H 4.465 8.015 8.477 1.00 . A A . 5 LYS HD2 1 1
10 669 1 1 5 LYS HD3 H 5.755 7.921 9.674 1.00 . A A . 5 LYS HD3 1 1
10 670 1 1 5 LYS HE2 H 7.084 8.699 8.004 1.00 . A A . 5 LYS HE2 1 1
10 671 1 1 5 LYS HE3 H 7.039 7.041 7.408 1.00 . A A . 5 LYS HE3 1 1
10 672 1 1 5 LYS HG2 H 5.884 5.636 9.561 1.00 . A A . 5 LYS HG2 1 1
10 673 1 1 5 LYS HG3 H 5.498 5.594 7.845 1.00 . A A . 5 LYS HG3 1 1
10 674 1 1 5 LYS HZ1 H 5.953 7.731 5.624 1.00 . A A . 5 LYS HZ1 1 1
10 675 1 1 5 LYS HZ2 H 6.051 9.336 6.174 1.00 . A A . 5 LYS HZ2 1 1
10 676 1 1 5 LYS HZ3 H 4.709 8.375 6.581 1.00 . A A . 5 LYS HZ3 1 1
10 677 1 1 5 LYS N N 3.677 4.878 6.814 1.00 . A A . 5 LYS N 1 1
10 678 1 1 5 LYS NZ N 5.735 8.373 6.413 1.00 . A A . 5 LYS NZ 1 1
10 679 1 1 5 LYS O O 3.176 7.456 6.430 1.00 . A A . 5 LYS O 1 1
10 680 1 1 5 LYS OXT O 1.662 7.569 7.959 1.00 . A A . 5 LYS OXT 1 1
11 681 1 1 1 . C C 7.263 4.236 1.635 1.00 . A A . 1 DBB C 1 1
11 682 1 1 1 . CA C 6.926 3.876 3.078 1.00 . A A . 1 DBB CA 1 1
11 683 1 1 1 . CB C 6.599 2.384 3.168 1.00 . A A . 1 DBB CB 1 1
11 684 1 1 1 . CG C 5.338 2.103 2.342 1.00 . A A . 1 DBB CG 1 1
11 685 1 1 1 . H H 7.904 5.112 4.416 1.00 . A A . 1 DBB H 1 1
11 686 1 1 1 . H1 H 8.938 4.243 3.385 1.00 . A A . 1 DBB H1 1 1
11 687 1 1 1 . HA H 6.089 4.441 3.384 1.00 . A A . 1 DBB HA 1 1
11 688 1 1 1 . HB2 H 7.430 1.830 2.746 1.00 . A A . 1 DBB HB2 1 1
11 689 1 1 1 . HG1 H 5.097 2.972 1.744 1.00 . A A . 1 DBB HG1 1 1
11 690 1 1 1 . HG2 H 4.515 1.880 3.002 1.00 . A A . 1 DBB HG2 1 1
11 691 1 1 1 . HG3 H 5.516 1.260 1.691 1.00 . A A . 1 DBB HG3 1 1
11 692 1 1 1 . HT3 H 8.167 3.457 4.679 1.00 . A A . 1 DBB HT3 1 1
11 693 1 1 1 . N N 8.071 4.196 3.956 1.00 . A A . 1 DBB N 1 1
11 694 1 1 1 . O O 7.657 3.368 0.855 1.00 . A A . 1 DBB O 1 1
11 695 1 1 2 PRO C C 5.177 6.406 2.567 1.00 . A A . 2 PRO C 1 1
11 696 1 1 2 PRO CA C 6.631 6.591 2.143 1.00 . A A . 2 PRO CA 1 1
11 697 1 1 2 PRO CB C 6.788 7.861 1.291 1.00 . A A . 2 PRO CB 1 1
11 698 1 1 2 PRO CD C 7.361 5.964 -0.105 1.00 . A A . 2 PRO CD 1 1
11 699 1 1 2 PRO CG C 7.579 7.461 0.085 1.00 . A A . 2 PRO CG 1 1
11 700 1 1 2 PRO HA H 7.263 6.663 3.013 1.00 . A A . 2 PRO HA 1 1
11 701 1 1 2 PRO HB2 H 5.816 8.230 0.995 1.00 . A A . 2 PRO HB2 1 1
11 702 1 1 2 PRO HB3 H 7.322 8.617 1.846 1.00 . A A . 2 PRO HB3 1 1
11 703 1 1 2 PRO HD2 H 6.505 5.780 -0.742 1.00 . A A . 2 PRO HD2 1 1
11 704 1 1 2 PRO HD3 H 8.245 5.494 -0.506 1.00 . A A . 2 PRO HD3 1 1
11 705 1 1 2 PRO HG2 H 7.227 8.004 -0.782 1.00 . A A . 2 PRO HG2 1 1
11 706 1 1 2 PRO HG3 H 8.627 7.658 0.248 1.00 . A A . 2 PRO HG3 1 1
11 707 1 1 2 PRO N N 7.105 5.483 1.250 1.00 . A A . 2 PRO N 1 1
11 708 1 1 2 PRO O O 4.731 6.963 3.570 1.00 . A A . 2 PRO O 1 1
11 709 1 1 3 GLY C C 2.968 4.723 3.512 1.00 . A A . 3 GLY C 1 1
11 710 1 1 3 GLY CA C 3.074 5.292 2.111 1.00 . A A . 3 GLY CA 1 1
11 711 1 1 3 GLY H H 4.878 5.165 1.042 1.00 . A A . 3 GLY H 1 1
11 712 1 1 3 GLY HA2 H 2.478 6.189 2.030 1.00 . A A . 3 GLY HA2 1 1
11 713 1 1 3 GLY HA3 H 2.725 4.557 1.412 1.00 . A A . 3 GLY HA3 1 1
11 714 1 1 3 GLY N N 4.460 5.590 1.809 1.00 . A A . 3 GLY N 1 1
11 715 1 1 3 GLY O O 2.041 5.034 4.260 1.00 . A A . 3 GLY O 1 1
11 716 1 1 4 CYS C C 3.109 3.976 6.160 1.00 . A A . 4 CYS C 1 1
11 717 1 1 4 CYS CA C 3.990 3.235 5.145 1.00 . A A . 4 CYS CA 1 1
11 718 1 1 4 CYS CB C 5.443 3.207 5.640 1.00 . A A . 4 CYS CB 1 1
11 719 1 1 4 CYS H H 4.625 3.666 3.182 1.00 . A A . 4 CYS H 1 1
11 720 1 1 4 CYS HA H 3.638 2.225 5.046 1.00 . A A . 4 CYS HA 1 1
11 721 1 1 4 CYS HB2 H 5.931 4.134 5.400 1.00 . A A . 4 CYS HB2 1 1
11 722 1 1 4 CYS HB3 H 5.441 3.084 6.714 1.00 . A A . 4 CYS HB3 1 1
11 723 1 1 4 CYS N N 3.936 3.878 3.844 1.00 . A A . 4 CYS N 1 1
11 724 1 1 4 CYS O O 1.890 3.802 6.164 1.00 . A A . 4 CYS O 1 1
11 725 1 1 4 CYS SG S 6.349 1.814 4.889 1.00 . A A . 4 CYS SG 1 1
11 726 1 1 5 LYS C C 2.231 6.720 7.362 1.00 . A A . 5 LYS C 1 1
11 727 1 1 5 LYS CA C 2.949 5.540 8.010 1.00 . A A . 5 LYS CA 1 1
11 728 1 1 5 LYS CB C 3.880 6.050 9.112 1.00 . A A . 5 LYS CB 1 1
11 729 1 1 5 LYS CD C 5.933 7.399 9.590 1.00 . A A . 5 LYS CD 1 1
11 730 1 1 5 LYS CE C 7.336 6.838 9.353 1.00 . A A . 5 LYS CE 1 1
11 731 1 1 5 LYS CG C 4.989 6.903 8.491 1.00 . A A . 5 LYS CG 1 1
11 732 1 1 5 LYS H H 4.683 4.910 6.981 1.00 . A A . 5 LYS H 1 1
11 733 1 1 5 LYS HA H 2.216 4.883 8.450 1.00 . A A . 5 LYS HA 1 1
11 734 1 1 5 LYS HB2 H 3.314 6.648 9.812 1.00 . A A . 5 LYS HB2 1 1
11 735 1 1 5 LYS HB3 H 4.321 5.211 9.628 1.00 . A A . 5 LYS HB3 1 1
11 736 1 1 5 LYS HD2 H 5.968 8.479 9.573 1.00 . A A . 5 LYS HD2 1 1
11 737 1 1 5 LYS HD3 H 5.573 7.065 10.552 1.00 . A A . 5 LYS HD3 1 1
11 738 1 1 5 LYS HE2 H 7.271 5.780 9.145 1.00 . A A . 5 LYS HE2 1 1
11 739 1 1 5 LYS HE3 H 7.788 7.343 8.512 1.00 . A A . 5 LYS HE3 1 1
11 740 1 1 5 LYS HG2 H 5.544 6.308 7.779 1.00 . A A . 5 LYS HG2 1 1
11 741 1 1 5 LYS HG3 H 4.551 7.751 7.986 1.00 . A A . 5 LYS HG3 1 1
11 742 1 1 5 LYS HZ1 H 8.696 7.945 10.475 1.00 . A A . 5 LYS HZ1 1 1
11 743 1 1 5 LYS HZ2 H 8.840 6.264 10.674 1.00 . A A . 5 LYS HZ2 1 1
11 744 1 1 5 LYS HZ3 H 7.556 7.103 11.407 1.00 . A A . 5 LYS HZ3 1 1
11 745 1 1 5 LYS N N 3.715 4.798 7.015 1.00 . A A . 5 LYS N 1 1
11 746 1 1 5 LYS NZ N 8.170 7.054 10.569 1.00 . A A . 5 LYS NZ 1 1
11 747 1 1 5 LYS O O 2.219 6.784 6.144 1.00 . A A . 5 LYS O 1 1
11 748 1 1 5 LYS OXT O 1.704 7.542 8.094 1.00 . A A . 5 LYS OXT 1 1
12 749 1 1 1 . C C 7.233 4.223 1.601 1.00 . A A . 1 DBB C 1 1
12 750 1 1 1 . CA C 6.922 3.876 3.055 1.00 . A A . 1 DBB CA 1 1
12 751 1 1 1 . CB C 6.593 2.385 3.161 1.00 . A A . 1 DBB CB 1 1
12 752 1 1 1 . CG C 5.317 2.100 2.359 1.00 . A A . 1 DBB CG 1 1
12 753 1 1 1 . H H 7.927 5.118 4.368 1.00 . A A . 1 DBB H 1 1
12 754 1 1 1 . H1 H 8.939 4.248 3.315 1.00 . A A . 1 DBB H1 1 1
12 755 1 1 1 . HA H 6.092 4.448 3.372 1.00 . A A . 1 DBB HA 1 1
12 756 1 1 1 . HB2 H 7.416 1.828 2.728 1.00 . A A . 1 DBB HB2 1 1
12 757 1 1 1 . HG1 H 5.066 2.964 1.760 1.00 . A A . 1 DBB HG1 1 1
12 758 1 1 1 . HG2 H 4.507 1.880 3.035 1.00 . A A . 1 DBB HG2 1 1
12 759 1 1 1 . HG3 H 5.485 1.252 1.711 1.00 . A A . 1 DBB HG3 1 1
12 760 1 1 1 . HT3 H 8.199 3.465 4.629 1.00 . A A . 1 DBB HT3 1 1
12 761 1 1 1 . N N 8.086 4.200 3.906 1.00 . A A . 1 DBB N 1 1
12 762 1 1 1 . O O 7.598 3.346 0.819 1.00 . A A . 1 DBB O 1 1
12 763 1 1 2 PRO C C 5.186 6.430 2.547 1.00 . A A . 2 PRO C 1 1
12 764 1 1 2 PRO CA C 6.640 6.585 2.113 1.00 . A A . 2 PRO CA 1 1
12 765 1 1 2 PRO CB C 6.820 7.853 1.262 1.00 . A A . 2 PRO CB 1 1
12 766 1 1 2 PRO CD C 7.313 5.942 -0.147 1.00 . A A . 2 PRO CD 1 1
12 767 1 1 2 PRO CG C 7.570 7.434 0.036 1.00 . A A . 2 PRO CG 1 1
12 768 1 1 2 PRO HA H 7.281 6.641 2.977 1.00 . A A . 2 PRO HA 1 1
12 769 1 1 2 PRO HB2 H 5.855 8.256 0.989 1.00 . A A . 2 PRO HB2 1 1
12 770 1 1 2 PRO HB3 H 7.391 8.588 1.807 1.00 . A A . 2 PRO HB3 1 1
12 771 1 1 2 PRO HD2 H 6.438 5.778 -0.761 1.00 . A A . 2 PRO HD2 1 1
12 772 1 1 2 PRO HD3 H 8.175 5.451 -0.569 1.00 . A A . 2 PRO HD3 1 1
12 773 1 1 2 PRO HG2 H 7.209 7.983 -0.823 1.00 . A A . 2 PRO HG2 1 1
12 774 1 1 2 PRO HG3 H 8.626 7.606 0.170 1.00 . A A . 2 PRO HG3 1 1
12 775 1 1 2 PRO N N 7.081 5.469 1.215 1.00 . A A . 2 PRO N 1 1
12 776 1 1 2 PRO O O 4.744 7.038 3.523 1.00 . A A . 2 PRO O 1 1
12 777 1 1 3 GLY C C 2.972 4.729 3.538 1.00 . A A . 3 GLY C 1 1
12 778 1 1 3 GLY CA C 3.074 5.310 2.142 1.00 . A A . 3 GLY CA 1 1
12 779 1 1 3 GLY H H 4.878 5.122 1.082 1.00 . A A . 3 GLY H 1 1
12 780 1 1 3 GLY HA2 H 2.494 6.220 2.077 1.00 . A A . 3 GLY HA2 1 1
12 781 1 1 3 GLY HA3 H 2.703 4.589 1.440 1.00 . A A . 3 GLY HA3 1 1
12 782 1 1 3 GLY N N 4.462 5.585 1.828 1.00 . A A . 3 GLY N 1 1
12 783 1 1 3 GLY O O 2.046 5.030 4.291 1.00 . A A . 3 GLY O 1 1
12 784 1 1 4 CYS C C 3.118 3.946 6.176 1.00 . A A . 4 CYS C 1 1
12 785 1 1 4 CYS CA C 4.006 3.228 5.152 1.00 . A A . 4 CYS CA 1 1
12 786 1 1 4 CYS CB C 5.461 3.214 5.642 1.00 . A A . 4 CYS CB 1 1
12 787 1 1 4 CYS H H 4.630 3.681 3.192 1.00 . A A . 4 CYS H 1 1
12 788 1 1 4 CYS HA H 3.667 2.214 5.041 1.00 . A A . 4 CYS HA 1 1
12 789 1 1 4 CYS HB2 H 5.940 4.144 5.397 1.00 . A A . 4 CYS HB2 1 1
12 790 1 1 4 CYS HB3 H 5.464 3.093 6.716 1.00 . A A . 4 CYS HB3 1 1
12 791 1 1 4 CYS N N 3.945 3.885 3.858 1.00 . A A . 4 CYS N 1 1
12 792 1 1 4 CYS O O 1.909 3.714 6.216 1.00 . A A . 4 CYS O 1 1
12 793 1 1 4 CYS SG S 6.376 1.826 4.890 1.00 . A A . 4 CYS SG 1 1
12 794 1 1 5 LYS C C 2.101 6.638 7.346 1.00 . A A . 5 LYS C 1 1
12 795 1 1 5 LYS CA C 2.924 5.535 8.002 1.00 . A A . 5 LYS CA 1 1
12 796 1 1 5 LYS CB C 3.853 6.147 9.052 1.00 . A A . 5 LYS CB 1 1
12 797 1 1 5 LYS CD C 6.299 5.724 8.763 1.00 . A A . 5 LYS CD 1 1
12 798 1 1 5 LYS CE C 7.490 5.998 7.843 1.00 . A A . 5 LYS CE 1 1
12 799 1 1 5 LYS CG C 5.136 6.641 8.380 1.00 . A A . 5 LYS CG 1 1
12 800 1 1 5 LYS H H 4.664 4.972 6.941 1.00 . A A . 5 LYS H 1 1
12 801 1 1 5 LYS HA H 2.254 4.842 8.490 1.00 . A A . 5 LYS HA 1 1
12 802 1 1 5 LYS HB2 H 3.355 6.977 9.532 1.00 . A A . 5 LYS HB2 1 1
12 803 1 1 5 LYS HB3 H 4.101 5.400 9.792 1.00 . A A . 5 LYS HB3 1 1
12 804 1 1 5 LYS HD2 H 6.584 5.913 9.788 1.00 . A A . 5 LYS HD2 1 1
12 805 1 1 5 LYS HD3 H 5.995 4.693 8.657 1.00 . A A . 5 LYS HD3 1 1
12 806 1 1 5 LYS HE2 H 7.137 6.170 6.838 1.00 . A A . 5 LYS HE2 1 1
12 807 1 1 5 LYS HE3 H 8.022 6.870 8.193 1.00 . A A . 5 LYS HE3 1 1
12 808 1 1 5 LYS HG2 H 5.007 6.631 7.306 1.00 . A A . 5 LYS HG2 1 1
12 809 1 1 5 LYS HG3 H 5.350 7.646 8.707 1.00 . A A . 5 LYS HG3 1 1
12 810 1 1 5 LYS HZ1 H 7.844 3.946 7.885 1.00 . A A . 5 LYS HZ1 1 1
12 811 1 1 5 LYS HZ2 H 9.022 4.869 8.691 1.00 . A A . 5 LYS HZ2 1 1
12 812 1 1 5 LYS HZ3 H 8.987 4.826 6.992 1.00 . A A . 5 LYS HZ3 1 1
12 813 1 1 5 LYS N N 3.703 4.813 7.003 1.00 . A A . 5 LYS N 1 1
12 814 1 1 5 LYS NZ N 8.405 4.821 7.853 1.00 . A A . 5 LYS NZ 1 1
12 815 1 1 5 LYS O O 2.238 6.820 6.146 1.00 . A A . 5 LYS O 1 1
12 816 1 1 5 LYS OXT O 1.343 7.285 8.051 1.00 . A A . 5 LYS OXT 1 1
13 817 1 1 1 . C C 7.216 4.246 1.590 1.00 . A A . 1 DBB C 1 1
13 818 1 1 1 . CA C 6.928 3.878 3.041 1.00 . A A . 1 DBB CA 1 1
13 819 1 1 1 . CB C 6.590 2.388 3.122 1.00 . A A . 1 DBB CB 1 1
13 820 1 1 1 . CG C 5.314 2.128 2.313 1.00 . A A . 1 DBB CG 1 1
13 821 1 1 1 . H H 8.695 4.888 3.403 1.00 . A A . 1 DBB H 1 1
13 822 1 1 1 . H1 H 8.655 3.307 4.025 1.00 . A A . 1 DBB H1 1 1
13 823 1 1 1 . HA H 6.106 4.449 3.382 1.00 . A A . 1 DBB HA 1 1
13 824 1 1 1 . HB2 H 7.409 1.834 2.679 1.00 . A A . 1 DBB HB2 1 1
13 825 1 1 1 . HG1 H 4.503 1.889 2.981 1.00 . A A . 1 DBB HG1 1 1
13 826 1 1 1 . HG2 H 5.480 1.303 1.637 1.00 . A A . 1 DBB HG2 1 1
13 827 1 1 1 . HG3 H 5.063 3.012 1.739 1.00 . A A . 1 DBB HG3 1 1
13 828 1 1 1 . HT3 H 7.790 4.551 4.796 1.00 . A A . 1 DBB HT3 1 1
13 829 1 1 1 . N N 8.108 4.178 3.879 1.00 . A A . 1 DBB N 1 1
13 830 1 1 1 . O O 7.570 3.382 0.788 1.00 . A A . 1 DBB O 1 1
13 831 1 1 2 PRO C C 5.166 6.441 2.570 1.00 . A A . 2 PRO C 1 1
13 832 1 1 2 PRO CA C 6.624 6.586 2.154 1.00 . A A . 2 PRO CA 1 1
13 833 1 1 2 PRO CB C 6.838 7.866 1.344 1.00 . A A . 2 PRO CB 1 1
13 834 1 1 2 PRO CD C 7.246 5.983 -0.143 1.00 . A A . 2 PRO CD 1 1
13 835 1 1 2 PRO CG C 6.813 7.449 -0.090 1.00 . A A . 2 PRO CG 1 1
13 836 1 1 2 PRO HA H 7.258 6.602 3.024 1.00 . A A . 2 PRO HA 1 1
13 837 1 1 2 PRO HB2 H 6.044 8.570 1.546 1.00 . A A . 2 PRO HB2 1 1
13 838 1 1 2 PRO HB3 H 7.794 8.301 1.584 1.00 . A A . 2 PRO HB3 1 1
13 839 1 1 2 PRO HD2 H 6.623 5.428 -0.831 1.00 . A A . 2 PRO HD2 1 1
13 840 1 1 2 PRO HD3 H 8.284 5.900 -0.420 1.00 . A A . 2 PRO HD3 1 1
13 841 1 1 2 PRO HG2 H 5.811 7.555 -0.486 1.00 . A A . 2 PRO HG2 1 1
13 842 1 1 2 PRO HG3 H 7.502 8.051 -0.662 1.00 . A A . 2 PRO HG3 1 1
13 843 1 1 2 PRO N N 7.052 5.494 1.225 1.00 . A A . 2 PRO N 1 1
13 844 1 1 2 PRO O O 4.712 7.064 3.530 1.00 . A A . 2 PRO O 1 1
13 845 1 1 3 GLY C C 2.964 4.713 3.548 1.00 . A A . 3 GLY C 1 1
13 846 1 1 3 GLY CA C 3.065 5.311 2.159 1.00 . A A . 3 GLY CA 1 1
13 847 1 1 3 GLY H H 4.880 5.104 1.126 1.00 . A A . 3 GLY H 1 1
13 848 1 1 3 GLY HA2 H 2.489 6.224 2.106 1.00 . A A . 3 GLY HA2 1 1
13 849 1 1 3 GLY HA3 H 2.694 4.600 1.449 1.00 . A A . 3 GLY HA3 1 1
13 850 1 1 3 GLY N N 4.455 5.582 1.856 1.00 . A A . 3 GLY N 1 1
13 851 1 1 3 GLY O O 2.036 4.999 4.304 1.00 . A A . 3 GLY O 1 1
13 852 1 1 4 CYS C C 3.132 3.910 6.181 1.00 . A A . 4 CYS C 1 1
13 853 1 1 4 CYS CA C 4.009 3.203 5.142 1.00 . A A . 4 CYS CA 1 1
13 854 1 1 4 CYS CB C 5.466 3.174 5.624 1.00 . A A . 4 CYS CB 1 1
13 855 1 1 4 CYS H H 4.631 3.685 3.190 1.00 . A A . 4 CYS H 1 1
13 856 1 1 4 CYS HA H 3.665 2.196 5.021 1.00 . A A . 4 CYS HA 1 1
13 857 1 1 4 CYS HB2 H 5.949 4.107 5.394 1.00 . A A . 4 CYS HB2 1 1
13 858 1 1 4 CYS HB3 H 5.475 3.033 6.695 1.00 . A A . 4 CYS HB3 1 1
13 859 1 1 4 CYS N N 3.942 3.874 3.859 1.00 . A A . 4 CYS N 1 1
13 860 1 1 4 CYS O O 1.942 3.615 6.290 1.00 . A A . 4 CYS O 1 1
13 861 1 1 4 CYS SG S 6.369 1.798 4.840 1.00 . A A . 4 CYS SG 1 1
13 862 1 1 5 LYS C C 1.741 6.250 7.325 1.00 . A A . 5 LYS C 1 1
13 863 1 1 5 LYS CA C 2.946 5.557 7.954 1.00 . A A . 5 LYS CA 1 1
13 864 1 1 5 LYS CB C 3.834 6.599 8.640 1.00 . A A . 5 LYS CB 1 1
13 865 1 1 5 LYS CD C 5.249 4.688 9.413 1.00 . A A . 5 LYS CD 1 1
13 866 1 1 5 LYS CE C 6.674 4.134 9.473 1.00 . A A . 5 LYS CE 1 1
13 867 1 1 5 LYS CG C 5.263 6.066 8.747 1.00 . A A . 5 LYS CG 1 1
13 868 1 1 5 LYS H H 4.655 5.044 6.824 1.00 . A A . 5 LYS H 1 1
13 869 1 1 5 LYS HA H 2.598 4.854 8.696 1.00 . A A . 5 LYS HA 1 1
13 870 1 1 5 LYS HB2 H 3.831 7.511 8.061 1.00 . A A . 5 LYS HB2 1 1
13 871 1 1 5 LYS HB3 H 3.451 6.799 9.629 1.00 . A A . 5 LYS HB3 1 1
13 872 1 1 5 LYS HD2 H 4.854 4.777 10.415 1.00 . A A . 5 LYS HD2 1 1
13 873 1 1 5 LYS HD3 H 4.628 4.018 8.839 1.00 . A A . 5 LYS HD3 1 1
13 874 1 1 5 LYS HE2 H 6.671 3.103 9.151 1.00 . A A . 5 LYS HE2 1 1
13 875 1 1 5 LYS HE3 H 7.312 4.713 8.823 1.00 . A A . 5 LYS HE3 1 1
13 876 1 1 5 LYS HG2 H 5.694 5.986 7.759 1.00 . A A . 5 LYS HG2 1 1
13 877 1 1 5 LYS HG3 H 5.857 6.745 9.343 1.00 . A A . 5 LYS HG3 1 1
13 878 1 1 5 LYS HZ1 H 8.209 4.066 10.877 1.00 . A A . 5 LYS HZ1 1 1
13 879 1 1 5 LYS HZ2 H 6.719 3.486 11.451 1.00 . A A . 5 LYS HZ2 1 1
13 880 1 1 5 LYS HZ3 H 6.968 5.156 11.263 1.00 . A A . 5 LYS HZ3 1 1
13 881 1 1 5 LYS N N 3.710 4.839 6.941 1.00 . A A . 5 LYS N 1 1
13 882 1 1 5 LYS NZ N 7.181 4.217 10.871 1.00 . A A . 5 LYS NZ 1 1
13 883 1 1 5 LYS O O 0.706 6.296 7.970 1.00 . A A . 5 LYS O 1 1
13 884 1 1 5 LYS OXT O 1.872 6.724 6.208 1.00 . A A . 5 LYS OXT 1 1
14 885 1 1 1 . C C 7.306 4.252 1.674 1.00 . A A . 1 DBB C 1 1
14 886 1 1 1 . CA C 6.931 3.872 3.104 1.00 . A A . 1 DBB CA 1 1
14 887 1 1 1 . CB C 6.609 2.378 3.167 1.00 . A A . 1 DBB CB 1 1
14 888 1 1 1 . CG C 5.370 2.106 2.308 1.00 . A A . 1 DBB CG 1 1
14 889 1 1 1 . H H 8.789 4.692 3.490 1.00 . A A . 1 DBB H 1 1
14 890 1 1 1 . H1 H 8.434 3.306 4.407 1.00 . A A . 1 DBB H1 1 1
14 891 1 1 1 . HA H 6.083 4.427 3.392 1.00 . A A . 1 DBB HA 1 1
14 892 1 1 1 . HB2 H 7.451 1.831 2.761 1.00 . A A . 1 DBB HB2 1 1
14 893 1 1 1 . HG1 H 5.149 2.979 1.707 1.00 . A A . 1 DBB HG1 1 1
14 894 1 1 1 . HG2 H 4.529 1.885 2.946 1.00 . A A . 1 DBB HG2 1 1
14 895 1 1 1 . HG3 H 5.561 1.265 1.659 1.00 . A A . 1 DBB HG3 1 1
14 896 1 1 1 . HT3 H 7.703 4.792 4.788 1.00 . A A . 1 DBB HT3 1 1
14 897 1 1 1 . N N 8.051 4.188 4.017 1.00 . A A . 1 DBB N 1 1
14 898 1 1 1 . O O 7.738 3.398 0.901 1.00 . A A . 1 DBB O 1 1
14 899 1 1 2 PRO C C 5.166 6.372 2.589 1.00 . A A . 2 PRO C 1 1
14 900 1 1 2 PRO CA C 6.618 6.598 2.180 1.00 . A A . 2 PRO CA 1 1
14 901 1 1 2 PRO CB C 6.747 7.869 1.327 1.00 . A A . 2 PRO CB 1 1
14 902 1 1 2 PRO CD C 7.428 5.997 -0.050 1.00 . A A . 2 PRO CD 1 1
14 903 1 1 2 PRO CG C 7.599 7.499 0.157 1.00 . A A . 2 PRO CG 1 1
14 904 1 1 2 PRO HA H 7.238 6.692 3.056 1.00 . A A . 2 PRO HA 1 1
14 905 1 1 2 PRO HB2 H 5.770 8.191 0.992 1.00 . A A . 2 PRO HB2 1 1
14 906 1 1 2 PRO HB3 H 7.224 8.652 1.896 1.00 . A A . 2 PRO HB3 1 1
14 907 1 1 2 PRO HD2 H 6.599 5.795 -0.716 1.00 . A A . 2 PRO HD2 1 1
14 908 1 1 2 PRO HD3 H 8.337 5.553 -0.421 1.00 . A A . 2 PRO HD3 1 1
14 909 1 1 2 PRO HG2 H 7.273 8.037 -0.723 1.00 . A A . 2 PRO HG2 1 1
14 910 1 1 2 PRO HG3 H 8.634 7.720 0.366 1.00 . A A . 2 PRO HG3 1 1
14 911 1 1 2 PRO N N 7.139 5.501 1.294 1.00 . A A . 2 PRO N 1 1
14 912 1 1 2 PRO O O 4.714 6.861 3.624 1.00 . A A . 2 PRO O 1 1
14 913 1 1 3 GLY C C 2.966 4.718 3.481 1.00 . A A . 3 GLY C 1 1
14 914 1 1 3 GLY CA C 3.075 5.270 2.073 1.00 . A A . 3 GLY CA 1 1
14 915 1 1 3 GLY H H 4.875 5.223 0.991 1.00 . A A . 3 GLY H 1 1
14 916 1 1 3 GLY HA2 H 2.457 6.152 1.973 1.00 . A A . 3 GLY HA2 1 1
14 917 1 1 3 GLY HA3 H 2.750 4.516 1.380 1.00 . A A . 3 GLY HA3 1 1
14 918 1 1 3 GLY N N 4.455 5.598 1.783 1.00 . A A . 3 GLY N 1 1
14 919 1 1 3 GLY O O 2.042 5.046 4.224 1.00 . A A . 3 GLY O 1 1
14 920 1 1 4 CYS C C 3.105 4.011 6.141 1.00 . A A . 4 CYS C 1 1
14 921 1 1 4 CYS CA C 3.972 3.241 5.136 1.00 . A A . 4 CYS CA 1 1
14 922 1 1 4 CYS CB C 5.425 3.190 5.632 1.00 . A A . 4 CYS CB 1 1
14 923 1 1 4 CYS H H 4.616 3.641 3.166 1.00 . A A . 4 CYS H 1 1
14 924 1 1 4 CYS HA H 3.601 2.236 5.051 1.00 . A A . 4 CYS HA 1 1
14 925 1 1 4 CYS HB2 H 5.927 4.111 5.398 1.00 . A A . 4 CYS HB2 1 1
14 926 1 1 4 CYS HB3 H 5.421 3.061 6.705 1.00 . A A . 4 CYS HB3 1 1
14 927 1 1 4 CYS N N 3.927 3.867 3.824 1.00 . A A . 4 CYS N 1 1
14 928 1 1 4 CYS O O 1.879 3.901 6.113 1.00 . A A . 4 CYS O 1 1
14 929 1 1 4 CYS SG S 6.312 1.787 4.874 1.00 . A A . 4 CYS SG 1 1
14 930 1 1 5 LYS C C 2.175 6.657 7.348 1.00 . A A . 5 LYS C 1 1
14 931 1 1 5 LYS CA C 2.979 5.549 8.021 1.00 . A A . 5 LYS CA 1 1
14 932 1 1 5 LYS CB C 3.935 6.163 9.048 1.00 . A A . 5 LYS CB 1 1
14 933 1 1 5 LYS CD C 6.294 5.481 8.585 1.00 . A A . 5 LYS CD 1 1
14 934 1 1 5 LYS CE C 7.490 5.723 7.663 1.00 . A A . 5 LYS CE 1 1
14 935 1 1 5 LYS CG C 5.240 6.566 8.357 1.00 . A A . 5 LYS CG 1 1
14 936 1 1 5 LYS H H 4.703 4.843 7.023 1.00 . A A . 5 LYS H 1 1
14 937 1 1 5 LYS HA H 2.299 4.885 8.532 1.00 . A A . 5 LYS HA 1 1
14 938 1 1 5 LYS HB2 H 3.475 7.036 9.489 1.00 . A A . 5 LYS HB2 1 1
14 939 1 1 5 LYS HB3 H 4.148 5.438 9.819 1.00 . A A . 5 LYS HB3 1 1
14 940 1 1 5 LYS HD2 H 6.622 5.509 9.615 1.00 . A A . 5 LYS HD2 1 1
14 941 1 1 5 LYS HD3 H 5.867 4.514 8.370 1.00 . A A . 5 LYS HD3 1 1
14 942 1 1 5 LYS HE2 H 7.189 6.361 6.843 1.00 . A A . 5 LYS HE2 1 1
14 943 1 1 5 LYS HE3 H 8.283 6.201 8.218 1.00 . A A . 5 LYS HE3 1 1
14 944 1 1 5 LYS HG2 H 5.065 6.683 7.297 1.00 . A A . 5 LYS HG2 1 1
14 945 1 1 5 LYS HG3 H 5.591 7.500 8.769 1.00 . A A . 5 LYS HG3 1 1
14 946 1 1 5 LYS HZ1 H 8.965 4.513 6.828 1.00 . A A . 5 LYS HZ1 1 1
14 947 1 1 5 LYS HZ2 H 7.389 4.142 6.311 1.00 . A A . 5 LYS HZ2 1 1
14 948 1 1 5 LYS HZ3 H 7.904 3.692 7.866 1.00 . A A . 5 LYS HZ3 1 1
14 949 1 1 5 LYS N N 3.730 4.784 7.030 1.00 . A A . 5 LYS N 1 1
14 950 1 1 5 LYS NZ N 7.973 4.419 7.126 1.00 . A A . 5 LYS NZ 1 1
14 951 1 1 5 LYS O O 0.961 6.542 7.311 1.00 . A A . 5 LYS O 1 1
14 952 1 1 5 LYS OXT O 2.786 7.605 6.882 1.00 . A A . 5 LYS OXT 1 1
15 953 1 1 1 . C C 7.268 4.261 1.644 1.00 . A A . 1 DBB C 1 1
15 954 1 1 1 . CA C 6.944 3.883 3.086 1.00 . A A . 1 DBB CA 1 1
15 955 1 1 1 . CB C 6.621 2.390 3.157 1.00 . A A . 1 DBB CB 1 1
15 956 1 1 1 . CG C 5.378 2.118 2.301 1.00 . A A . 1 DBB CG 1 1
15 957 1 1 1 . H H 8.039 3.620 4.820 1.00 . A A . 1 DBB H 1 1
15 958 1 1 1 . H1 H 8.052 5.210 4.218 1.00 . A A . 1 DBB H1 1 1
15 959 1 1 1 . HA H 6.104 4.439 3.400 1.00 . A A . 1 DBB HA 1 1
15 960 1 1 1 . HB2 H 7.461 1.842 2.747 1.00 . A A . 1 DBB HB2 1 1
15 961 1 1 1 . HG1 H 5.570 1.282 1.645 1.00 . A A . 1 DBB HG1 1 1
15 962 1 1 1 . HG2 H 5.151 2.992 1.705 1.00 . A A . 1 DBB HG2 1 1
15 963 1 1 1 . HG3 H 4.541 1.890 2.940 1.00 . A A . 1 DBB HG3 1 1
15 964 1 1 1 . HT3 H 8.974 4.002 3.458 1.00 . A A . 1 DBB HT3 1 1
15 965 1 1 1 . N N 8.090 4.201 3.962 1.00 . A A . 1 DBB N 1 1
15 966 1 1 1 . O O 7.662 3.407 0.850 1.00 . A A . 1 DBB O 1 1
15 967 1 1 2 PRO C C 5.153 6.387 2.602 1.00 . A A . 2 PRO C 1 1
15 968 1 1 2 PRO CA C 6.608 6.589 2.200 1.00 . A A . 2 PRO CA 1 1
15 969 1 1 2 PRO CB C 6.783 7.871 1.387 1.00 . A A . 2 PRO CB 1 1
15 970 1 1 2 PRO CD C 7.301 6.010 -0.082 1.00 . A A . 2 PRO CD 1 1
15 971 1 1 2 PRO CG C 6.767 7.443 -0.043 1.00 . A A . 2 PRO CG 1 1
15 972 1 1 2 PRO HA H 7.233 6.631 3.077 1.00 . A A . 2 PRO HA 1 1
15 973 1 1 2 PRO HB2 H 5.969 8.554 1.586 1.00 . A A . 2 PRO HB2 1 1
15 974 1 1 2 PRO HB3 H 7.728 8.336 1.621 1.00 . A A . 2 PRO HB3 1 1
15 975 1 1 2 PRO HD2 H 6.742 5.416 -0.794 1.00 . A A . 2 PRO HD2 1 1
15 976 1 1 2 PRO HD3 H 8.352 5.998 -0.318 1.00 . A A . 2 PRO HD3 1 1
15 977 1 1 2 PRO HG2 H 5.755 7.474 -0.425 1.00 . A A . 2 PRO HG2 1 1
15 978 1 1 2 PRO HG3 H 7.405 8.084 -0.630 1.00 . A A . 2 PRO HG3 1 1
15 979 1 1 2 PRO N N 7.085 5.508 1.278 1.00 . A A . 2 PRO N 1 1
15 980 1 1 2 PRO O O 4.697 6.900 3.623 1.00 . A A . 2 PRO O 1 1
15 981 1 1 3 GLY C C 2.959 4.712 3.487 1.00 . A A . 3 GLY C 1 1
15 982 1 1 3 GLY CA C 3.067 5.276 2.086 1.00 . A A . 3 GLY CA 1 1
15 983 1 1 3 GLY H H 4.879 5.201 1.029 1.00 . A A . 3 GLY H 1 1
15 984 1 1 3 GLY HA2 H 2.455 6.162 1.993 1.00 . A A . 3 GLY HA2 1 1
15 985 1 1 3 GLY HA3 H 2.742 4.531 1.386 1.00 . A A . 3 GLY HA3 1 1
15 986 1 1 3 GLY N N 4.450 5.597 1.806 1.00 . A A . 3 GLY N 1 1
15 987 1 1 3 GLY O O 2.030 5.023 4.232 1.00 . A A . 3 GLY O 1 1
15 988 1 1 4 CYS C C 3.112 3.993 6.139 1.00 . A A . 4 CYS C 1 1
15 989 1 1 4 CYS CA C 3.984 3.237 5.131 1.00 . A A . 4 CYS CA 1 1
15 990 1 1 4 CYS CB C 5.437 3.197 5.627 1.00 . A A . 4 CYS CB 1 1
15 991 1 1 4 CYS H H 4.626 3.660 3.166 1.00 . A A . 4 CYS H 1 1
15 992 1 1 4 CYS HA H 3.621 2.232 5.042 1.00 . A A . 4 CYS HA 1 1
15 993 1 1 4 CYS HB2 H 5.931 4.124 5.397 1.00 . A A . 4 CYS HB2 1 1
15 994 1 1 4 CYS HB3 H 5.432 3.065 6.700 1.00 . A A . 4 CYS HB3 1 1
15 995 1 1 4 CYS N N 3.932 3.871 3.825 1.00 . A A . 4 CYS N 1 1
15 996 1 1 4 CYS O O 1.890 3.849 6.133 1.00 . A A . 4 CYS O 1 1
15 997 1 1 4 CYS SG S 6.336 1.803 4.867 1.00 . A A . 4 CYS SG 1 1
15 998 1 1 5 LYS C C 1.587 5.882 7.477 1.00 . A A . 5 LYS C 1 1
15 999 1 1 5 LYS CA C 2.985 5.556 7.992 1.00 . A A . 5 LYS CA 1 1
15 1000 1 1 5 LYS CB C 3.727 6.852 8.317 1.00 . A A . 5 LYS CB 1 1
15 1001 1 1 5 LYS CD C 5.818 6.652 6.963 1.00 . A A . 5 LYS CD 1 1
15 1002 1 1 5 LYS CE C 6.425 8.036 6.731 1.00 . A A . 5 LYS CE 1 1
15 1003 1 1 5 LYS CG C 5.231 6.579 8.374 1.00 . A A . 5 LYS CG 1 1
15 1004 1 1 5 LYS H H 4.704 4.882 6.969 1.00 . A A . 5 LYS H 1 1
15 1005 1 1 5 LYS HA H 2.899 4.968 8.893 1.00 . A A . 5 LYS HA 1 1
15 1006 1 1 5 LYS HB2 H 3.521 7.587 7.552 1.00 . A A . 5 LYS HB2 1 1
15 1007 1 1 5 LYS HB3 H 3.394 7.224 9.272 1.00 . A A . 5 LYS HB3 1 1
15 1008 1 1 5 LYS HD2 H 6.585 5.898 6.853 1.00 . A A . 5 LYS HD2 1 1
15 1009 1 1 5 LYS HD3 H 5.036 6.478 6.239 1.00 . A A . 5 LYS HD3 1 1
15 1010 1 1 5 LYS HE2 H 6.408 8.264 5.676 1.00 . A A . 5 LYS HE2 1 1
15 1011 1 1 5 LYS HE3 H 5.850 8.776 7.268 1.00 . A A . 5 LYS HE3 1 1
15 1012 1 1 5 LYS HG2 H 5.707 7.317 9.003 1.00 . A A . 5 LYS HG2 1 1
15 1013 1 1 5 LYS HG3 H 5.402 5.594 8.783 1.00 . A A . 5 LYS HG3 1 1
15 1014 1 1 5 LYS HZ1 H 8.163 9.034 7.298 1.00 . A A . 5 LYS HZ1 1 1
15 1015 1 1 5 LYS HZ2 H 8.438 7.536 6.547 1.00 . A A . 5 LYS HZ2 1 1
15 1016 1 1 5 LYS HZ3 H 7.884 7.595 8.152 1.00 . A A . 5 LYS HZ3 1 1
15 1017 1 1 5 LYS N N 3.733 4.796 6.999 1.00 . A A . 5 LYS N 1 1
15 1018 1 1 5 LYS NZ N 7.834 8.051 7.219 1.00 . A A . 5 LYS NZ 1 1
15 1019 1 1 5 LYS O O 0.701 5.066 7.668 1.00 . A A . 5 LYS O 1 1
15 1020 1 1 5 LYS OXT O 1.423 6.945 6.900 1.00 . A A . 5 LYS OXT 1 1
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