NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
641867 |
6qm1   |
34360 | cing | 4-filtered-FRED | STAR | entry | full | 18 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6qm1
# This FRED archive file contains, for PDB entry <6qm1>:
#
# - 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_6qm1
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6qm1
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all other bound"
_Assembly.Molecular_mass 472.56
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 $DAL_PRO_GLY_CYS_LYS A . 1 1
stop_
save_
save_DAL_PRO_GLY_CYS_LYS
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "DAL 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 DAL $DAL 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
DAL 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_DAL
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID DAL
_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
13 1 . . . 1 1
14 1 . . . 1 1
15 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 1 DAL HA . 1 . HA 1 1
1 1 1 1 1 4 CYS HA . 4 . HA 1 1
1 1 2 1 1 2 PRO HA . 2 . HA 1 1
2 1 1 1 1 1 DAL HA . 1 . HA 1 1
2 1 1 1 1 4 CYS HA . 4 . HA 1 1
2 1 2 1 1 3 GLY H . 3 . HN 1 1
3 1 1 1 1 1 DAL HA . 1 . HA 1 1
3 1 1 1 1 4 CYS HA . 4 . HA 1 1
3 1 2 1 1 5 LYS H . 5 . HN 1 1
4 1 1 1 1 1 DAL HA . 1 . HA 1 1
4 1 2 1 1 4 CYS HB3 . 4 . HB1 1 1
5 1 1 1 1 1 DAL HB1 . 1 . HB2 1 1
5 1 1 1 1 2 PRO HB3 . 2 . HB1 1 1
5 1 2 1 1 3 GLY H . 3 . HN 1 1
6 1 1 1 1 1 DAL HB1 . 1 . HB2 1 1
6 1 1 1 1 2 PRO HB3 . 2 . HB1 1 1
6 1 2 1 1 4 CYS H . 4 . HN 1 1
7 1 1 1 1 2 PRO HA . 2 . HA 1 1
7 1 2 1 1 3 GLY H . 3 . HN 1 1
8 1 1 1 1 2 PRO HA . 2 . HA 1 1
8 1 2 1 1 4 CYS H . 4 . HN 1 1
9 1 1 1 1 2 PRO HB2 . 2 . HB2 1 1
9 1 2 1 1 3 GLY H . 3 . HN 1 1
10 1 1 1 1 3 GLY H . 3 . HN 1 1
10 1 2 1 1 4 CYS H . 4 . HN 1 1
11 1 1 1 1 3 GLY HA2 . 3 . HA2 1 1
11 1 2 1 1 4 CYS H . 4 . HN 1 1
12 1 1 1 1 4 CYS HA . 4 . HA 1 1
12 1 2 1 1 5 LYS HB2 . 5 . HB2 1 1
13 1 1 1 1 4 CYS HA . 4 . HA 1 1
13 1 2 1 1 5 LYS QG . 5 . HG# 1 1
14 1 1 1 1 4 CYS HB2 . 4 . HB2 1 1
14 1 2 1 1 5 LYS H . 5 . HN 1 1
15 1 1 1 1 4 CYS HB3 . 4 . HB1 1 1
15 1 2 1 1 5 LYS H . 5 . HN 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 . . . . . 3.2 2.6 3.8 1 1
2 1 . . . . . 4.5 3.6 5.4 1 1
3 1 . . . . . 3.2 2.6 3.8 1 1
4 1 . . . . . 3.6 2.9 4.3 1 1
5 1 . . . . . 4.4 3.5 5.3 1 1
6 1 . . . . . 5.0 4.0 6.0 1 1
7 1 . . . . . 3.4 2.7 4.1 1 1
8 1 . . . . . 4.5 3.6 5.4 1 1
9 1 . . . . . 3.9 3.1 4.7 1 1
10 1 . . . . . 3.6 2.9 4.3 1 1
11 1 . . . . . 4.7 3.8 5.6 1 1
12 1 . . . . . 5.3 4.2 6.4 1 1
13 1 . . . . . 5.3 4.2 6.4 1 1
14 1 . . . . . 4.2 3.4 5.0 1 1
15 1 . . . . . 3.7 3.0 4.4 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 1 DAL C 1 1 2 PRO N 1 1 2 PRO CA 1 1 2 PRO C -128.89998 -8.9 . 1 . C . 2 . N . 2 . CA . 2 . C 1 1
2 . 1 1 2 PRO C 1 1 3 GLY N 1 1 3 GLY CA 1 1 3 GLY C -138.2 -18.2 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1
3 . 1 1 4 CYS C 1 1 5 LYS N 1 1 5 LYS CA 1 1 5 LYS C -150.8 -30.800001 . 4 . C . 5 . N . 5 . CA . 5 . 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 DAL C C 9.242 3.118 5.722 1.00 . A A . 1 DAL C 1 1
1 2 1 1 1 DAL CA C 9.334 4.149 4.596 1.00 . A A . 1 DAL CA 1 1
1 3 1 1 1 DAL CB C 9.994 5.430 5.108 1.00 . A A . 1 DAL CB 1 1
1 4 1 1 1 DAL H2 H 10.456 2.624 3.729 1.00 . A A . 1 DAL H2 1 1
1 5 1 1 1 DAL H3 H 10.981 4.188 3.324 1.00 . A A . 1 DAL H3 1 1
1 6 1 1 1 DAL HA H 8.345 4.378 4.234 1.00 . A A . 1 DAL HA 1 1
1 7 1 1 1 DAL HB1 H 10.294 6.041 4.270 1.00 . A A . 1 DAL HB1 1 1
1 8 1 1 1 DAL HB2 H 10.863 5.176 5.697 1.00 . A A . 1 DAL HB2 1 1
1 9 1 1 1 DAL N N 10.148 3.587 3.482 1.00 . A A . 1 DAL N 1 1
1 10 1 1 1 DAL O O 10.072 3.107 6.630 1.00 . A A . 1 DAL O 1 1
1 11 1 1 2 PRO C C 6.111 3.232 4.854 1.00 . A A . 2 PRO C 1 1
1 12 1 1 2 PRO CA C 7.240 2.243 4.588 1.00 . A A . 2 PRO CA 1 1
1 13 1 1 2 PRO CB C 6.740 0.801 4.605 1.00 . A A . 2 PRO CB 1 1
1 14 1 1 2 PRO CD C 8.012 1.184 6.650 1.00 . A A . 2 PRO CD 1 1
1 15 1 1 2 PRO CG C 6.874 0.360 6.028 1.00 . A A . 2 PRO CG 1 1
1 16 1 1 2 PRO HA H 7.699 2.456 3.640 1.00 . A A . 2 PRO HA 1 1
1 17 1 1 2 PRO HB2 H 5.706 0.757 4.287 1.00 . A A . 2 PRO HB2 1 1
1 18 1 1 2 PRO HB3 H 7.355 0.183 3.968 1.00 . A A . 2 PRO HB3 1 1
1 19 1 1 2 PRO HD2 H 7.702 1.598 7.599 1.00 . A A . 2 PRO HD2 1 1
1 20 1 1 2 PRO HD3 H 8.897 0.578 6.770 1.00 . A A . 2 PRO HD3 1 1
1 21 1 1 2 PRO HG2 H 5.949 0.543 6.559 1.00 . A A . 2 PRO HG2 1 1
1 22 1 1 2 PRO HG3 H 7.123 -0.688 6.068 1.00 . A A . 2 PRO HG3 1 1
1 23 1 1 2 PRO N N 8.259 2.256 5.672 1.00 . A A . 2 PRO N 1 1
1 24 1 1 2 PRO O O 5.751 4.016 3.977 1.00 . A A . 2 PRO O 1 1
1 25 1 1 3 GLY C C 4.762 5.471 5.709 1.00 . A A . 3 GLY C 1 1
1 26 1 1 3 GLY CA C 4.495 4.138 6.402 1.00 . A A . 3 GLY CA 1 1
1 27 1 1 3 GLY H H 5.891 2.577 6.741 1.00 . A A . 3 GLY H 1 1
1 28 1 1 3 GLY HA2 H 3.539 3.731 6.071 1.00 . A A . 3 GLY HA2 1 1
1 29 1 1 3 GLY HA3 H 4.471 4.290 7.471 1.00 . A A . 3 GLY HA3 1 1
1 30 1 1 3 GLY N N 5.564 3.209 6.067 1.00 . A A . 3 GLY N 1 1
1 31 1 1 3 GLY O O 3.867 6.060 5.103 1.00 . A A . 3 GLY O 1 1
1 32 1 1 4 CYS C C 5.566 7.425 3.903 1.00 . A A . 4 CYS C 1 1
1 33 1 1 4 CYS CA C 6.400 7.186 5.158 1.00 . A A . 4 CYS CA 1 1
1 34 1 1 4 CYS CB C 7.887 7.141 4.792 1.00 . A A . 4 CYS CB 1 1
1 35 1 1 4 CYS H H 6.695 5.425 6.282 1.00 . A A . 4 CYS H 1 1
1 36 1 1 4 CYS HA H 6.235 7.992 5.849 1.00 . A A . 4 CYS HA 1 1
1 37 1 1 4 CYS HB2 H 8.018 6.575 3.881 1.00 . A A . 4 CYS HB2 1 1
1 38 1 1 4 CYS HB3 H 8.252 8.147 4.646 1.00 . A A . 4 CYS HB3 1 1
1 39 1 1 4 CYS N N 6.015 5.936 5.792 1.00 . A A . 4 CYS N 1 1
1 40 1 1 4 CYS O O 5.306 6.501 3.134 1.00 . A A . 4 CYS O 1 1
1 41 1 1 4 CYS SG S 8.816 6.350 6.134 1.00 . A A . 4 CYS SG 1 1
1 42 1 1 5 LYS C C 4.967 10.168 1.773 1.00 . A A . 5 LYS C 1 1
1 43 1 1 5 LYS CA C 4.336 9.012 2.543 1.00 . A A . 5 LYS CA 1 1
1 44 1 1 5 LYS CB C 2.927 9.402 2.989 1.00 . A A . 5 LYS CB 1 1
1 45 1 1 5 LYS CD C 1.657 11.106 4.309 1.00 . A A . 5 LYS CD 1 1
1 46 1 1 5 LYS CE C 2.003 11.705 5.674 1.00 . A A . 5 LYS CE 1 1
1 47 1 1 5 LYS CG C 2.946 10.831 3.532 1.00 . A A . 5 LYS CG 1 1
1 48 1 1 5 LYS H H 5.378 9.365 4.354 1.00 . A A . 5 LYS H 1 1
1 49 1 1 5 LYS HA H 4.272 8.152 1.894 1.00 . A A . 5 LYS HA 1 1
1 50 1 1 5 LYS HB2 H 2.253 9.344 2.146 1.00 . A A . 5 LYS HB2 1 1
1 51 1 1 5 LYS HB3 H 2.596 8.728 3.763 1.00 . A A . 5 LYS HB3 1 1
1 52 1 1 5 LYS HD2 H 1.045 11.803 3.754 1.00 . A A . 5 LYS HD2 1 1
1 53 1 1 5 LYS HD3 H 1.115 10.184 4.450 1.00 . A A . 5 LYS HD3 1 1
1 54 1 1 5 LYS HE2 H 1.121 11.712 6.298 1.00 . A A . 5 LYS HE2 1 1
1 55 1 1 5 LYS HE3 H 2.772 11.111 6.143 1.00 . A A . 5 LYS HE3 1 1
1 56 1 1 5 LYS HG2 H 3.796 10.954 4.188 1.00 . A A . 5 LYS HG2 1 1
1 57 1 1 5 LYS HG3 H 3.023 11.527 2.710 1.00 . A A . 5 LYS HG3 1 1
1 58 1 1 5 LYS HZ1 H 2.283 13.656 6.346 1.00 . A A . 5 LYS HZ1 1 1
1 59 1 1 5 LYS HZ2 H 2.020 13.530 4.672 1.00 . A A . 5 LYS HZ2 1 1
1 60 1 1 5 LYS HZ3 H 3.521 13.088 5.335 1.00 . A A . 5 LYS HZ3 1 1
1 61 1 1 5 LYS N N 5.145 8.668 3.706 1.00 . A A . 5 LYS N 1 1
1 62 1 1 5 LYS NZ N 2.494 13.100 5.492 1.00 . A A . 5 LYS NZ 1 1
1 63 1 1 5 LYS O O 4.299 10.712 0.910 1.00 . A A . 5 LYS O 1 1
1 64 1 1 5 LYS OXT O 6.107 10.491 2.061 1.00 . A A . 5 LYS OXT 1 1
2 65 1 1 1 DAL C C 9.167 3.036 5.829 1.00 . A A . 1 DAL C 1 1
2 66 1 1 1 DAL CA C 9.369 4.076 4.729 1.00 . A A . 1 DAL CA 1 1
2 67 1 1 1 DAL CB C 10.082 5.306 5.294 1.00 . A A . 1 DAL CB 1 1
2 68 1 1 1 DAL H2 H 10.013 3.999 2.750 1.00 . A A . 1 DAL H2 1 1
2 69 1 1 1 DAL H3 H 9.947 2.485 3.517 1.00 . A A . 1 DAL H3 1 1
2 70 1 1 1 DAL HA H 8.411 4.372 4.330 1.00 . A A . 1 DAL HA 1 1
2 71 1 1 1 DAL HB1 H 10.478 5.897 4.482 1.00 . A A . 1 DAL HB1 1 1
2 72 1 1 1 DAL HB2 H 10.892 4.988 5.936 1.00 . A A . 1 DAL HB2 1 1
2 73 1 1 1 DAL N N 10.196 3.488 3.638 1.00 . A A . 1 DAL N 1 1
2 74 1 1 1 DAL O O 9.935 2.976 6.789 1.00 . A A . 1 DAL O 1 1
2 75 1 1 2 PRO C C 6.121 3.309 4.752 1.00 . A A . 2 PRO C 1 1
2 76 1 1 2 PRO CA C 7.214 2.267 4.550 1.00 . A A . 2 PRO CA 1 1
2 77 1 1 2 PRO CB C 6.645 0.852 4.509 1.00 . A A . 2 PRO CB 1 1
2 78 1 1 2 PRO CD C 7.799 1.143 6.637 1.00 . A A . 2 PRO CD 1 1
2 79 1 1 2 PRO CG C 6.672 0.380 5.928 1.00 . A A . 2 PRO CG 1 1
2 80 1 1 2 PRO HA H 7.748 2.472 3.639 1.00 . A A . 2 PRO HA 1 1
2 81 1 1 2 PRO HB2 H 5.631 0.865 4.130 1.00 . A A . 2 PRO HB2 1 1
2 82 1 1 2 PRO HB3 H 7.267 0.213 3.898 1.00 . A A . 2 PRO HB3 1 1
2 83 1 1 2 PRO HD2 H 7.444 1.555 7.573 1.00 . A A . 2 PRO HD2 1 1
2 84 1 1 2 PRO HD3 H 8.647 0.497 6.804 1.00 . A A . 2 PRO HD3 1 1
2 85 1 1 2 PRO HG2 H 5.722 0.592 6.403 1.00 . A A . 2 PRO HG2 1 1
2 86 1 1 2 PRO HG3 H 6.874 -0.679 5.962 1.00 . A A . 2 PRO HG3 1 1
2 87 1 1 2 PRO N N 8.155 2.217 5.698 1.00 . A A . 2 PRO N 1 1
2 88 1 1 2 PRO O O 5.853 4.114 3.859 1.00 . A A . 2 PRO O 1 1
2 89 1 1 3 GLY C C 4.840 5.611 5.542 1.00 . A A . 3 GLY C 1 1
2 90 1 1 3 GLY CA C 4.460 4.289 6.202 1.00 . A A . 3 GLY CA 1 1
2 91 1 1 3 GLY H H 5.755 2.662 6.618 1.00 . A A . 3 GLY H 1 1
2 92 1 1 3 GLY HA2 H 3.509 3.933 5.805 1.00 . A A . 3 GLY HA2 1 1
2 93 1 1 3 GLY HA3 H 4.374 4.435 7.268 1.00 . A A . 3 GLY HA3 1 1
2 94 1 1 3 GLY N N 5.501 3.310 5.929 1.00 . A A . 3 GLY N 1 1
2 95 1 1 3 GLY O O 4.016 6.252 4.888 1.00 . A A . 3 GLY O 1 1
2 96 1 1 4 CYS C C 5.867 7.539 3.813 1.00 . A A . 4 CYS C 1 1
2 97 1 1 4 CYS CA C 6.598 7.241 5.115 1.00 . A A . 4 CYS CA 1 1
2 98 1 1 4 CYS CB C 8.103 7.126 4.848 1.00 . A A . 4 CYS CB 1 1
2 99 1 1 4 CYS H H 6.728 5.458 6.234 1.00 . A A . 4 CYS H 1 1
2 100 1 1 4 CYS HA H 6.428 8.049 5.804 1.00 . A A . 4 CYS HA 1 1
2 101 1 1 4 CYS HB2 H 8.265 6.549 3.949 1.00 . A A . 4 CYS HB2 1 1
2 102 1 1 4 CYS HB3 H 8.523 8.113 4.723 1.00 . A A . 4 CYS HB3 1 1
2 103 1 1 4 CYS N N 6.108 6.009 5.708 1.00 . A A . 4 CYS N 1 1
2 104 1 1 4 CYS O O 6.142 6.928 2.779 1.00 . A A . 4 CYS O 1 1
2 105 1 1 4 CYS SG S 8.905 6.301 6.249 1.00 . A A . 4 CYS SG 1 1
2 106 1 1 5 LYS C C 4.707 10.143 2.083 1.00 . A A . 5 LYS C 1 1
2 107 1 1 5 LYS CA C 4.163 8.854 2.692 1.00 . A A . 5 LYS CA 1 1
2 108 1 1 5 LYS CB C 2.693 9.046 3.069 1.00 . A A . 5 LYS CB 1 1
2 109 1 1 5 LYS CD C 0.447 9.675 2.174 1.00 . A A . 5 LYS CD 1 1
2 110 1 1 5 LYS CE C -0.429 8.444 2.417 1.00 . A A . 5 LYS CE 1 1
2 111 1 1 5 LYS CG C 1.862 9.229 1.799 1.00 . A A . 5 LYS CG 1 1
2 112 1 1 5 LYS H H 4.759 8.931 4.723 1.00 . A A . 5 LYS H 1 1
2 113 1 1 5 LYS HA H 4.234 8.063 1.961 1.00 . A A . 5 LYS HA 1 1
2 114 1 1 5 LYS HB2 H 2.343 8.177 3.608 1.00 . A A . 5 LYS HB2 1 1
2 115 1 1 5 LYS HB3 H 2.591 9.921 3.692 1.00 . A A . 5 LYS HB3 1 1
2 116 1 1 5 LYS HD2 H 0.485 10.274 3.072 1.00 . A A . 5 LYS HD2 1 1
2 117 1 1 5 LYS HD3 H 0.028 10.259 1.369 1.00 . A A . 5 LYS HD3 1 1
2 118 1 1 5 LYS HE2 H -1.440 8.758 2.629 1.00 . A A . 5 LYS HE2 1 1
2 119 1 1 5 LYS HE3 H -0.423 7.818 1.537 1.00 . A A . 5 LYS HE3 1 1
2 120 1 1 5 LYS HG2 H 2.323 9.979 1.173 1.00 . A A . 5 LYS HG2 1 1
2 121 1 1 5 LYS HG3 H 1.812 8.293 1.263 1.00 . A A . 5 LYS HG3 1 1
2 122 1 1 5 LYS HZ1 H 0.671 6.874 3.231 1.00 . A A . 5 LYS HZ1 1 1
2 123 1 1 5 LYS HZ2 H -0.684 7.322 4.152 1.00 . A A . 5 LYS HZ2 1 1
2 124 1 1 5 LYS HZ3 H 0.708 8.295 4.155 1.00 . A A . 5 LYS HZ3 1 1
2 125 1 1 5 LYS N N 4.933 8.480 3.871 1.00 . A A . 5 LYS N 1 1
2 126 1 1 5 LYS NZ N 0.107 7.676 3.576 1.00 . A A . 5 LYS NZ 1 1
2 127 1 1 5 LYS O O 5.058 11.031 2.841 1.00 . A A . 5 LYS O 1 1
2 128 1 1 5 LYS OXT O 4.764 10.221 0.866 1.00 . A A . 5 LYS OXT 1 1
3 129 1 1 1 DAL C C 9.254 3.160 5.750 1.00 . A A . 1 DAL C 1 1
3 130 1 1 1 DAL CA C 9.336 4.140 4.580 1.00 . A A . 1 DAL CA 1 1
3 131 1 1 1 DAL CB C 9.989 5.446 5.036 1.00 . A A . 1 DAL CB 1 1
3 132 1 1 1 DAL H2 H 10.625 2.682 3.841 1.00 . A A . 1 DAL H2 1 1
3 133 1 1 1 DAL H3 H 10.865 4.223 3.169 1.00 . A A . 1 DAL H3 1 1
3 134 1 1 1 DAL HA H 8.344 4.348 4.212 1.00 . A A . 1 DAL HA 1 1
3 135 1 1 1 DAL HB1 H 10.252 6.038 4.173 1.00 . A A . 1 DAL HB1 1 1
3 136 1 1 1 DAL HB2 H 10.881 5.222 5.604 1.00 . A A . 1 DAL HB2 1 1
3 137 1 1 1 DAL N N 10.151 3.538 3.488 1.00 . A A . 1 DAL N 1 1
3 138 1 1 1 DAL O O 10.079 3.200 6.663 1.00 . A A . 1 DAL O 1 1
3 139 1 1 2 PRO C C 6.122 3.187 4.864 1.00 . A A . 2 PRO C 1 1
3 140 1 1 2 PRO CA C 7.271 2.209 4.647 1.00 . A A . 2 PRO CA 1 1
3 141 1 1 2 PRO CB C 6.796 0.759 4.719 1.00 . A A . 2 PRO CB 1 1
3 142 1 1 2 PRO CD C 8.042 1.256 6.757 1.00 . A A . 2 PRO CD 1 1
3 143 1 1 2 PRO CG C 6.933 0.377 6.158 1.00 . A A . 2 PRO CG 1 1
3 144 1 1 2 PRO HA H 7.732 2.394 3.694 1.00 . A A . 2 PRO HA 1 1
3 145 1 1 2 PRO HB2 H 5.765 0.685 4.401 1.00 . A A . 2 PRO HB2 1 1
3 146 1 1 2 PRO HB3 H 7.425 0.128 4.109 1.00 . A A . 2 PRO HB3 1 1
3 147 1 1 2 PRO HD2 H 7.707 1.708 7.680 1.00 . A A . 2 PRO HD2 1 1
3 148 1 1 2 PRO HD3 H 8.938 0.676 6.920 1.00 . A A . 2 PRO HD3 1 1
3 149 1 1 2 PRO HG2 H 5.999 0.552 6.676 1.00 . A A . 2 PRO HG2 1 1
3 150 1 1 2 PRO HG3 H 7.213 -0.661 6.239 1.00 . A A . 2 PRO HG3 1 1
3 151 1 1 2 PRO N N 8.281 2.284 5.733 1.00 . A A . 2 PRO N 1 1
3 152 1 1 2 PRO O O 5.747 3.924 3.952 1.00 . A A . 2 PRO O 1 1
3 153 1 1 3 GLY C C 4.756 5.462 5.679 1.00 . A A . 3 GLY C 1 1
3 154 1 1 3 GLY CA C 4.488 4.129 6.373 1.00 . A A . 3 GLY CA 1 1
3 155 1 1 3 GLY H H 5.917 2.615 6.778 1.00 . A A . 3 GLY H 1 1
3 156 1 1 3 GLY HA2 H 3.546 3.707 6.018 1.00 . A A . 3 GLY HA2 1 1
3 157 1 1 3 GLY HA3 H 4.432 4.288 7.439 1.00 . A A . 3 GLY HA3 1 1
3 158 1 1 3 GLY N N 5.576 3.210 6.077 1.00 . A A . 3 GLY N 1 1
3 159 1 1 3 GLY O O 3.857 6.052 5.078 1.00 . A A . 3 GLY O 1 1
3 160 1 1 4 CYS C C 5.539 7.442 3.890 1.00 . A A . 4 CYS C 1 1
3 161 1 1 4 CYS CA C 6.390 7.180 5.128 1.00 . A A . 4 CYS CA 1 1
3 162 1 1 4 CYS CB C 7.870 7.132 4.735 1.00 . A A . 4 CYS CB 1 1
3 163 1 1 4 CYS H H 6.690 5.416 6.247 1.00 . A A . 4 CYS H 1 1
3 164 1 1 4 CYS HA H 6.244 7.980 5.830 1.00 . A A . 4 CYS HA 1 1
3 165 1 1 4 CYS HB2 H 7.985 6.550 3.834 1.00 . A A . 4 CYS HB2 1 1
3 166 1 1 4 CYS HB3 H 8.229 8.136 4.563 1.00 . A A . 4 CYS HB3 1 1
3 167 1 1 4 CYS N N 6.008 5.928 5.758 1.00 . A A . 4 CYS N 1 1
3 168 1 1 4 CYS O O 5.251 6.529 3.117 1.00 . A A . 4 CYS O 1 1
3 169 1 1 4 CYS SG S 8.827 6.371 6.073 1.00 . A A . 4 CYS SG 1 1
3 170 1 1 5 LYS C C 5.076 8.822 1.259 1.00 . A A . 5 LYS C 1 1
3 171 1 1 5 LYS CA C 4.320 9.069 2.560 1.00 . A A . 5 LYS CA 1 1
3 172 1 1 5 LYS CB C 3.932 10.546 2.653 1.00 . A A . 5 LYS CB 1 1
3 173 1 1 5 LYS CD C 4.687 11.460 4.853 1.00 . A A . 5 LYS CD 1 1
3 174 1 1 5 LYS CE C 3.934 12.774 5.079 1.00 . A A . 5 LYS CE 1 1
3 175 1 1 5 LYS CG C 5.038 11.322 3.370 1.00 . A A . 5 LYS CG 1 1
3 176 1 1 5 LYS H H 5.398 9.384 4.357 1.00 . A A . 5 LYS H 1 1
3 177 1 1 5 LYS HA H 3.421 8.473 2.563 1.00 . A A . 5 LYS HA 1 1
3 178 1 1 5 LYS HB2 H 3.797 10.946 1.658 1.00 . A A . 5 LYS HB2 1 1
3 179 1 1 5 LYS HB3 H 3.010 10.643 3.207 1.00 . A A . 5 LYS HB3 1 1
3 180 1 1 5 LYS HD2 H 4.064 10.631 5.154 1.00 . A A . 5 LYS HD2 1 1
3 181 1 1 5 LYS HD3 H 5.593 11.462 5.439 1.00 . A A . 5 LYS HD3 1 1
3 182 1 1 5 LYS HE2 H 3.730 12.894 6.132 1.00 . A A . 5 LYS HE2 1 1
3 183 1 1 5 LYS HE3 H 4.539 13.599 4.732 1.00 . A A . 5 LYS HE3 1 1
3 184 1 1 5 LYS HG2 H 5.973 10.790 3.269 1.00 . A A . 5 LYS HG2 1 1
3 185 1 1 5 LYS HG3 H 5.133 12.303 2.931 1.00 . A A . 5 LYS HG3 1 1
3 186 1 1 5 LYS HZ1 H 1.978 13.408 4.758 1.00 . A A . 5 LYS HZ1 1 1
3 187 1 1 5 LYS HZ2 H 2.255 11.784 4.346 1.00 . A A . 5 LYS HZ2 1 1
3 188 1 1 5 LYS HZ3 H 2.822 13.028 3.337 1.00 . A A . 5 LYS HZ3 1 1
3 189 1 1 5 LYS N N 5.139 8.698 3.709 1.00 . A A . 5 LYS N 1 1
3 190 1 1 5 LYS NZ N 2.650 12.747 4.323 1.00 . A A . 5 LYS NZ 1 1
3 191 1 1 5 LYS O O 5.571 9.782 0.693 1.00 . A A . 5 LYS O 1 1
3 192 1 1 5 LYS OXT O 5.150 7.675 0.850 1.00 . A A . 5 LYS OXT 1 1
4 193 1 1 1 DAL C C 9.135 2.996 5.803 1.00 . A A . 1 DAL C 1 1
4 194 1 1 1 DAL CA C 9.372 4.065 4.738 1.00 . A A . 1 DAL CA 1 1
4 195 1 1 1 DAL CB C 10.071 5.276 5.356 1.00 . A A . 1 DAL CB 1 1
4 196 1 1 1 DAL H2 H 10.874 4.240 3.306 1.00 . A A . 1 DAL H2 1 1
4 197 1 1 1 DAL H3 H 9.627 3.168 2.875 1.00 . A A . 1 DAL H3 1 1
4 198 1 1 1 DAL HA H 8.427 4.374 4.320 1.00 . A A . 1 DAL HA 1 1
4 199 1 1 1 DAL HB1 H 10.465 5.904 4.570 1.00 . A A . 1 DAL HB1 1 1
4 200 1 1 1 DAL HB2 H 10.881 4.939 5.988 1.00 . A A . 1 DAL HB2 1 1
4 201 1 1 1 DAL N N 10.228 3.502 3.656 1.00 . A A . 1 DAL N 1 1
4 202 1 1 1 DAL O O 9.892 2.892 6.769 1.00 . A A . 1 DAL O 1 1
4 203 1 1 2 PRO C C 6.103 3.363 4.708 1.00 . A A . 2 PRO C 1 1
4 204 1 1 2 PRO CA C 7.176 2.304 4.487 1.00 . A A . 2 PRO CA 1 1
4 205 1 1 2 PRO CB C 6.575 0.901 4.407 1.00 . A A . 2 PRO CB 1 1
4 206 1 1 2 PRO CD C 7.722 1.111 6.549 1.00 . A A . 2 PRO CD 1 1
4 207 1 1 2 PRO CG C 6.583 0.392 5.814 1.00 . A A . 2 PRO CG 1 1
4 208 1 1 2 PRO HA H 7.720 2.518 3.586 1.00 . A A . 2 PRO HA 1 1
4 209 1 1 2 PRO HB2 H 5.564 0.947 4.025 1.00 . A A . 2 PRO HB2 1 1
4 210 1 1 2 PRO HB3 H 7.186 0.266 3.782 1.00 . A A . 2 PRO HB3 1 1
4 211 1 1 2 PRO HD2 H 7.372 1.505 7.493 1.00 . A A . 2 PRO HD2 1 1
4 212 1 1 2 PRO HD3 H 8.556 0.443 6.701 1.00 . A A . 2 PRO HD3 1 1
4 213 1 1 2 PRO HG2 H 5.636 0.610 6.289 1.00 . A A . 2 PRO HG2 1 1
4 214 1 1 2 PRO HG3 H 6.764 -0.672 5.820 1.00 . A A . 2 PRO HG3 1 1
4 215 1 1 2 PRO N N 8.107 2.203 5.641 1.00 . A A . 2 PRO N 1 1
4 216 1 1 2 PRO O O 5.857 4.193 3.835 1.00 . A A . 2 PRO O 1 1
4 217 1 1 3 GLY C C 4.861 5.675 5.554 1.00 . A A . 3 GLY C 1 1
4 218 1 1 3 GLY CA C 4.455 4.341 6.176 1.00 . A A . 3 GLY CA 1 1
4 219 1 1 3 GLY H H 5.715 2.678 6.556 1.00 . A A . 3 GLY H 1 1
4 220 1 1 3 GLY HA2 H 3.498 4.015 5.765 1.00 . A A . 3 GLY HA2 1 1
4 221 1 1 3 GLY HA3 H 4.366 4.460 7.245 1.00 . A A . 3 GLY HA3 1 1
4 222 1 1 3 GLY N N 5.477 3.349 5.882 1.00 . A A . 3 GLY N 1 1
4 223 1 1 3 GLY O O 4.053 6.342 4.907 1.00 . A A . 3 GLY O 1 1
4 224 1 1 4 CYS C C 5.973 7.604 3.855 1.00 . A A . 4 CYS C 1 1
4 225 1 1 4 CYS CA C 6.645 7.293 5.190 1.00 . A A . 4 CYS CA 1 1
4 226 1 1 4 CYS CB C 8.160 7.186 4.991 1.00 . A A . 4 CYS CB 1 1
4 227 1 1 4 CYS H H 6.738 5.480 6.264 1.00 . A A . 4 CYS H 1 1
4 228 1 1 4 CYS HA H 6.440 8.091 5.879 1.00 . A A . 4 CYS HA 1 1
4 229 1 1 4 CYS HB2 H 8.364 6.695 4.050 1.00 . A A . 4 CYS HB2 1 1
4 230 1 1 4 CYS HB3 H 8.592 8.175 4.982 1.00 . A A . 4 CYS HB3 1 1
4 231 1 1 4 CYS N N 6.132 6.051 5.745 1.00 . A A . 4 CYS N 1 1
4 232 1 1 4 CYS O O 6.434 7.166 2.800 1.00 . A A . 4 CYS O 1 1
4 233 1 1 4 CYS SG S 8.881 6.221 6.344 1.00 . A A . 4 CYS SG 1 1
4 234 1 1 5 LYS C C 4.294 10.218 2.415 1.00 . A A . 5 LYS C 1 1
4 235 1 1 5 LYS CA C 4.158 8.724 2.696 1.00 . A A . 5 LYS CA 1 1
4 236 1 1 5 LYS CB C 2.678 8.365 2.846 1.00 . A A . 5 LYS CB 1 1
4 237 1 1 5 LYS CD C 0.763 8.311 4.450 1.00 . A A . 5 LYS CD 1 1
4 238 1 1 5 LYS CE C 0.166 8.976 5.692 1.00 . A A . 5 LYS CE 1 1
4 239 1 1 5 LYS CG C 2.164 8.870 4.195 1.00 . A A . 5 LYS CG 1 1
4 240 1 1 5 LYS H H 4.561 8.684 4.777 1.00 . A A . 5 LYS H 1 1
4 241 1 1 5 LYS HA H 4.567 8.173 1.864 1.00 . A A . 5 LYS HA 1 1
4 242 1 1 5 LYS HB2 H 2.113 8.826 2.049 1.00 . A A . 5 LYS HB2 1 1
4 243 1 1 5 LYS HB3 H 2.561 7.293 2.798 1.00 . A A . 5 LYS HB3 1 1
4 244 1 1 5 LYS HD2 H 0.134 8.512 3.595 1.00 . A A . 5 LYS HD2 1 1
4 245 1 1 5 LYS HD3 H 0.824 7.244 4.609 1.00 . A A . 5 LYS HD3 1 1
4 246 1 1 5 LYS HE2 H 0.166 8.272 6.511 1.00 . A A . 5 LYS HE2 1 1
4 247 1 1 5 LYS HE3 H 0.757 9.839 5.958 1.00 . A A . 5 LYS HE3 1 1
4 248 1 1 5 LYS HG2 H 2.831 8.544 4.980 1.00 . A A . 5 LYS HG2 1 1
4 249 1 1 5 LYS HG3 H 2.122 9.949 4.184 1.00 . A A . 5 LYS HG3 1 1
4 250 1 1 5 LYS HZ1 H -1.315 10.430 5.525 1.00 . A A . 5 LYS HZ1 1 1
4 251 1 1 5 LYS HZ2 H -1.883 8.921 6.059 1.00 . A A . 5 LYS HZ2 1 1
4 252 1 1 5 LYS HZ3 H -1.478 9.150 4.424 1.00 . A A . 5 LYS HZ3 1 1
4 253 1 1 5 LYS N N 4.883 8.362 3.908 1.00 . A A . 5 LYS N 1 1
4 254 1 1 5 LYS NZ N -1.234 9.401 5.403 1.00 . A A . 5 LYS NZ 1 1
4 255 1 1 5 LYS O O 4.741 10.559 1.332 1.00 . A A . 5 LYS O 1 1
4 256 1 1 5 LYS OXT O 3.949 10.998 3.287 1.00 . A A . 5 LYS OXT 1 1
5 257 1 1 1 DAL C C 9.132 2.980 5.714 1.00 . A A . 1 DAL C 1 1
5 258 1 1 1 DAL CA C 9.324 4.110 4.704 1.00 . A A . 1 DAL CA 1 1
5 259 1 1 1 DAL CB C 10.009 5.301 5.376 1.00 . A A . 1 DAL CB 1 1
5 260 1 1 1 DAL H2 H 10.996 3.121 3.955 1.00 . A A . 1 DAL H2 1 1
5 261 1 1 1 DAL H3 H 10.487 4.437 3.009 1.00 . A A . 1 DAL H3 1 1
5 262 1 1 1 DAL HA H 8.365 4.421 4.322 1.00 . A A . 1 DAL HA 1 1
5 263 1 1 1 DAL HB1 H 10.380 5.977 4.619 1.00 . A A . 1 DAL HB1 1 1
5 264 1 1 1 DAL HB2 H 10.835 4.948 5.978 1.00 . A A . 1 DAL HB2 1 1
5 265 1 1 1 DAL N N 10.169 3.626 3.576 1.00 . A A . 1 DAL N 1 1
5 266 1 1 1 DAL O O 9.917 2.833 6.651 1.00 . A A . 1 DAL O 1 1
5 267 1 1 2 PRO C C 6.082 3.389 4.712 1.00 . A A . 2 PRO C 1 1
5 268 1 1 2 PRO CA C 7.143 2.335 4.417 1.00 . A A . 2 PRO CA 1 1
5 269 1 1 2 PRO CB C 6.534 0.941 4.293 1.00 . A A . 2 PRO CB 1 1
5 270 1 1 2 PRO CD C 7.762 1.039 6.395 1.00 . A A . 2 PRO CD 1 1
5 271 1 1 2 PRO CG C 6.584 0.370 5.674 1.00 . A A . 2 PRO CG 1 1
5 272 1 1 2 PRO HA H 7.663 2.588 3.510 1.00 . A A . 2 PRO HA 1 1
5 273 1 1 2 PRO HB2 H 5.512 1.006 3.944 1.00 . A A . 2 PRO HB2 1 1
5 274 1 1 2 PRO HB3 H 7.122 0.332 3.621 1.00 . A A . 2 PRO HB3 1 1
5 275 1 1 2 PRO HD2 H 7.460 1.376 7.377 1.00 . A A . 2 PRO HD2 1 1
5 276 1 1 2 PRO HD3 H 8.597 0.361 6.465 1.00 . A A . 2 PRO HD3 1 1
5 277 1 1 2 PRO HG2 H 5.659 0.583 6.193 1.00 . A A . 2 PRO HG2 1 1
5 278 1 1 2 PRO HG3 H 6.747 -0.696 5.628 1.00 . A A . 2 PRO HG3 1 1
5 279 1 1 2 PRO N N 8.108 2.183 5.538 1.00 . A A . 2 PRO N 1 1
5 280 1 1 2 PRO O O 5.815 4.254 3.879 1.00 . A A . 2 PRO O 1 1
5 281 1 1 3 GLY C C 4.859 5.663 5.652 1.00 . A A . 3 GLY C 1 1
5 282 1 1 3 GLY CA C 4.482 4.315 6.262 1.00 . A A . 3 GLY CA 1 1
5 283 1 1 3 GLY H H 5.744 2.634 6.542 1.00 . A A . 3 GLY H 1 1
5 284 1 1 3 GLY HA2 H 3.509 3.996 5.885 1.00 . A A . 3 GLY HA2 1 1
5 285 1 1 3 GLY HA3 H 4.439 4.411 7.336 1.00 . A A . 3 GLY HA3 1 1
5 286 1 1 3 GLY N N 5.491 3.332 5.901 1.00 . A A . 3 GLY N 1 1
5 287 1 1 3 GLY O O 4.031 6.328 5.029 1.00 . A A . 3 GLY O 1 1
5 288 1 1 4 CYS C C 6.000 7.571 3.904 1.00 . A A . 4 CYS C 1 1
5 289 1 1 4 CYS CA C 6.612 7.311 5.278 1.00 . A A . 4 CYS CA 1 1
5 290 1 1 4 CYS CB C 8.139 7.273 5.163 1.00 . A A . 4 CYS CB 1 1
5 291 1 1 4 CYS H H 6.751 5.485 6.326 1.00 . A A . 4 CYS H 1 1
5 292 1 1 4 CYS HA H 6.334 8.108 5.941 1.00 . A A . 4 CYS HA 1 1
5 293 1 1 4 CYS HB2 H 8.417 6.911 4.183 1.00 . A A . 4 CYS HB2 1 1
5 294 1 1 4 CYS HB3 H 8.535 8.267 5.304 1.00 . A A . 4 CYS HB3 1 1
5 295 1 1 4 CYS N N 6.128 6.054 5.826 1.00 . A A . 4 CYS N 1 1
5 296 1 1 4 CYS O O 6.500 7.085 2.890 1.00 . A A . 4 CYS O 1 1
5 297 1 1 4 CYS SG S 8.815 6.167 6.429 1.00 . A A . 4 CYS SG 1 1
5 298 1 1 5 LYS C C 5.182 9.415 1.692 1.00 . A A . 5 LYS C 1 1
5 299 1 1 5 LYS CA C 4.244 8.656 2.626 1.00 . A A . 5 LYS CA 1 1
5 300 1 1 5 LYS CB C 2.999 9.502 2.898 1.00 . A A . 5 LYS CB 1 1
5 301 1 1 5 LYS CD C 1.256 8.537 1.390 1.00 . A A . 5 LYS CD 1 1
5 302 1 1 5 LYS CE C 0.686 7.144 1.121 1.00 . A A . 5 LYS CE 1 1
5 303 1 1 5 LYS CG C 1.755 8.614 2.835 1.00 . A A . 5 LYS CG 1 1
5 304 1 1 5 LYS H H 4.562 8.699 4.721 1.00 . A A . 5 LYS H 1 1
5 305 1 1 5 LYS HA H 3.943 7.737 2.147 1.00 . A A . 5 LYS HA 1 1
5 306 1 1 5 LYS HB2 H 3.074 9.948 3.879 1.00 . A A . 5 LYS HB2 1 1
5 307 1 1 5 LYS HB3 H 2.922 10.280 2.154 1.00 . A A . 5 LYS HB3 1 1
5 308 1 1 5 LYS HD2 H 0.484 9.278 1.236 1.00 . A A . 5 LYS HD2 1 1
5 309 1 1 5 LYS HD3 H 2.076 8.725 0.715 1.00 . A A . 5 LYS HD3 1 1
5 310 1 1 5 LYS HE2 H 0.027 7.183 0.267 1.00 . A A . 5 LYS HE2 1 1
5 311 1 1 5 LYS HE3 H 1.495 6.457 0.920 1.00 . A A . 5 LYS HE3 1 1
5 312 1 1 5 LYS HG2 H 2.002 7.622 3.184 1.00 . A A . 5 LYS HG2 1 1
5 313 1 1 5 LYS HG3 H 0.980 9.034 3.459 1.00 . A A . 5 LYS HG3 1 1
5 314 1 1 5 LYS HZ1 H -0.547 5.778 2.098 1.00 . A A . 5 LYS HZ1 1 1
5 315 1 1 5 LYS HZ2 H -0.791 7.393 2.568 1.00 . A A . 5 LYS HZ2 1 1
5 316 1 1 5 LYS HZ3 H 0.577 6.544 3.113 1.00 . A A . 5 LYS HZ3 1 1
5 317 1 1 5 LYS N N 4.916 8.339 3.881 1.00 . A A . 5 LYS N 1 1
5 318 1 1 5 LYS NZ N -0.076 6.680 2.315 1.00 . A A . 5 LYS NZ 1 1
5 319 1 1 5 LYS O O 4.684 10.096 0.811 1.00 . A A . 5 LYS O 1 1
5 320 1 1 5 LYS OXT O 6.383 9.305 1.874 1.00 . A A . 5 LYS OXT 1 1
6 321 1 1 1 DAL C C 9.117 2.983 5.777 1.00 . A A . 1 DAL C 1 1
6 322 1 1 1 DAL CA C 9.375 4.065 4.728 1.00 . A A . 1 DAL CA 1 1
6 323 1 1 1 DAL CB C 10.056 5.271 5.376 1.00 . A A . 1 DAL CB 1 1
6 324 1 1 1 DAL H2 H 10.368 4.225 2.906 1.00 . A A . 1 DAL H2 1 1
6 325 1 1 1 DAL H3 H 9.833 2.653 3.269 1.00 . A A . 1 DAL H3 1 1
6 326 1 1 1 DAL HA H 8.440 4.377 4.292 1.00 . A A . 1 DAL HA 1 1
6 327 1 1 1 DAL HB1 H 10.432 5.928 4.607 1.00 . A A . 1 DAL HB1 1 1
6 328 1 1 1 DAL HB2 H 10.877 4.932 5.993 1.00 . A A . 1 DAL HB2 1 1
6 329 1 1 1 DAL N N 10.258 3.516 3.661 1.00 . A A . 1 DAL N 1 1
6 330 1 1 1 DAL O O 9.869 2.855 6.744 1.00 . A A . 1 DAL O 1 1
6 331 1 1 2 PRO C C 6.086 3.399 4.684 1.00 . A A . 2 PRO C 1 1
6 332 1 1 2 PRO CA C 7.147 2.332 4.449 1.00 . A A . 2 PRO CA 1 1
6 333 1 1 2 PRO CB C 6.530 0.938 4.350 1.00 . A A . 2 PRO CB 1 1
6 334 1 1 2 PRO CD C 7.677 1.106 6.495 1.00 . A A . 2 PRO CD 1 1
6 335 1 1 2 PRO CG C 6.523 0.418 5.752 1.00 . A A . 2 PRO CG 1 1
6 336 1 1 2 PRO HA H 7.694 2.551 3.548 1.00 . A A . 2 PRO HA 1 1
6 337 1 1 2 PRO HB2 H 5.523 1.001 3.961 1.00 . A A . 2 PRO HB2 1 1
6 338 1 1 2 PRO HB3 H 7.138 0.301 3.724 1.00 . A A . 2 PRO HB3 1 1
6 339 1 1 2 PRO HD2 H 7.336 1.492 7.445 1.00 . A A . 2 PRO HD2 1 1
6 340 1 1 2 PRO HD3 H 8.499 0.422 6.635 1.00 . A A . 2 PRO HD3 1 1
6 341 1 1 2 PRO HG2 H 5.580 0.654 6.227 1.00 . A A . 2 PRO HG2 1 1
6 342 1 1 2 PRO HG3 H 6.679 -0.650 5.751 1.00 . A A . 2 PRO HG3 1 1
6 343 1 1 2 PRO N N 8.078 2.206 5.601 1.00 . A A . 2 PRO N 1 1
6 344 1 1 2 PRO O O 5.848 4.244 3.821 1.00 . A A . 2 PRO O 1 1
6 345 1 1 3 GLY C C 4.869 5.713 5.573 1.00 . A A . 3 GLY C 1 1
6 346 1 1 3 GLY CA C 4.448 4.371 6.167 1.00 . A A . 3 GLY CA 1 1
6 347 1 1 3 GLY H H 5.693 2.692 6.521 1.00 . A A . 3 GLY H 1 1
6 348 1 1 3 GLY HA2 H 3.491 4.062 5.746 1.00 . A A . 3 GLY HA2 1 1
6 349 1 1 3 GLY HA3 H 4.356 4.470 7.237 1.00 . A A . 3 GLY HA3 1 1
6 350 1 1 3 GLY N N 5.461 3.374 5.857 1.00 . A A . 3 GLY N 1 1
6 351 1 1 3 GLY O O 4.069 6.399 4.935 1.00 . A A . 3 GLY O 1 1
6 352 1 1 4 CYS C C 6.033 7.641 3.896 1.00 . A A . 4 CYS C 1 1
6 353 1 1 4 CYS CA C 6.662 7.327 5.249 1.00 . A A . 4 CYS CA 1 1
6 354 1 1 4 CYS CB C 8.184 7.233 5.101 1.00 . A A . 4 CYS CB 1 1
6 355 1 1 4 CYS H H 6.741 5.492 6.290 1.00 . A A . 4 CYS H 1 1
6 356 1 1 4 CYS HA H 6.428 8.118 5.937 1.00 . A A . 4 CYS HA 1 1
6 357 1 1 4 CYS HB2 H 8.426 6.820 4.133 1.00 . A A . 4 CYS HB2 1 1
6 358 1 1 4 CYS HB3 H 8.615 8.220 5.188 1.00 . A A . 4 CYS HB3 1 1
6 359 1 1 4 CYS N N 6.141 6.077 5.778 1.00 . A A . 4 CYS N 1 1
6 360 1 1 4 CYS O O 6.592 7.312 2.850 1.00 . A A . 4 CYS O 1 1
6 361 1 1 4 CYS SG S 8.856 6.164 6.400 1.00 . A A . 4 CYS SG 1 1
6 362 1 1 5 LYS C C 4.571 10.032 2.235 1.00 . A A . 5 LYS C 1 1
6 363 1 1 5 LYS CA C 4.172 8.633 2.694 1.00 . A A . 5 LYS CA 1 1
6 364 1 1 5 LYS CB C 2.658 8.578 2.914 1.00 . A A . 5 LYS CB 1 1
6 365 1 1 5 LYS CD C 0.762 9.745 4.055 1.00 . A A . 5 LYS CD 1 1
6 366 1 1 5 LYS CE C 0.472 11.239 3.895 1.00 . A A . 5 LYS CE 1 1
6 367 1 1 5 LYS CG C 2.276 9.513 4.064 1.00 . A A . 5 LYS CG 1 1
6 368 1 1 5 LYS H H 4.470 8.516 4.789 1.00 . A A . 5 LYS H 1 1
6 369 1 1 5 LYS HA H 4.437 7.923 1.925 1.00 . A A . 5 LYS HA 1 1
6 370 1 1 5 LYS HB2 H 2.152 8.890 2.013 1.00 . A A . 5 LYS HB2 1 1
6 371 1 1 5 LYS HB3 H 2.366 7.569 3.161 1.00 . A A . 5 LYS HB3 1 1
6 372 1 1 5 LYS HD2 H 0.318 9.202 3.232 1.00 . A A . 5 LYS HD2 1 1
6 373 1 1 5 LYS HD3 H 0.338 9.397 4.984 1.00 . A A . 5 LYS HD3 1 1
6 374 1 1 5 LYS HE2 H 1.012 11.621 3.041 1.00 . A A . 5 LYS HE2 1 1
6 375 1 1 5 LYS HE3 H -0.588 11.387 3.746 1.00 . A A . 5 LYS HE3 1 1
6 376 1 1 5 LYS HG2 H 2.565 9.063 5.004 1.00 . A A . 5 LYS HG2 1 1
6 377 1 1 5 LYS HG3 H 2.785 10.457 3.945 1.00 . A A . 5 LYS HG3 1 1
6 378 1 1 5 LYS HZ1 H 0.474 11.523 5.958 1.00 . A A . 5 LYS HZ1 1 1
6 379 1 1 5 LYS HZ2 H 0.611 12.959 5.060 1.00 . A A . 5 LYS HZ2 1 1
6 380 1 1 5 LYS HZ3 H 1.942 11.915 5.205 1.00 . A A . 5 LYS HZ3 1 1
6 381 1 1 5 LYS N N 4.868 8.280 3.925 1.00 . A A . 5 LYS N 1 1
6 382 1 1 5 LYS NZ N 0.908 11.963 5.122 1.00 . A A . 5 LYS NZ 1 1
6 383 1 1 5 LYS O O 5.760 10.298 2.178 1.00 . A A . 5 LYS O 1 1
6 384 1 1 5 LYS OXT O 3.682 10.815 1.947 1.00 . A A . 5 LYS OXT 1 1
7 385 1 1 1 DAL C C 9.126 2.987 5.809 1.00 . A A . 1 DAL C 1 1
7 386 1 1 1 DAL CA C 9.370 4.062 4.751 1.00 . A A . 1 DAL CA 1 1
7 387 1 1 1 DAL CB C 10.082 5.264 5.378 1.00 . A A . 1 DAL CB 1 1
7 388 1 1 1 DAL H2 H 9.805 2.604 3.330 1.00 . A A . 1 DAL H2 1 1
7 389 1 1 1 DAL H3 H 11.177 3.331 4.020 1.00 . A A . 1 DAL H3 1 1
7 390 1 1 1 DAL HA H 8.427 4.384 4.339 1.00 . A A . 1 DAL HA 1 1
7 391 1 1 1 DAL HB1 H 10.495 5.884 4.596 1.00 . A A . 1 DAL HB1 1 1
7 392 1 1 1 DAL HB2 H 10.879 4.914 6.019 1.00 . A A . 1 DAL HB2 1 1
7 393 1 1 1 DAL N N 10.217 3.501 3.660 1.00 . A A . 1 DAL N 1 1
7 394 1 1 1 DAL O O 9.878 2.874 6.777 1.00 . A A . 1 DAL O 1 1
7 395 1 1 2 PRO C C 6.105 3.376 4.702 1.00 . A A . 2 PRO C 1 1
7 396 1 1 2 PRO CA C 7.172 2.311 4.479 1.00 . A A . 2 PRO CA 1 1
7 397 1 1 2 PRO CB C 6.564 0.914 4.384 1.00 . A A . 2 PRO CB 1 1
7 398 1 1 2 PRO CD C 7.701 1.103 6.535 1.00 . A A . 2 PRO CD 1 1
7 399 1 1 2 PRO CG C 6.562 0.394 5.786 1.00 . A A . 2 PRO CG 1 1
7 400 1 1 2 PRO HA H 7.722 2.531 3.582 1.00 . A A . 2 PRO HA 1 1
7 401 1 1 2 PRO HB2 H 5.555 0.968 3.997 1.00 . A A . 2 PRO HB2 1 1
7 402 1 1 2 PRO HB3 H 7.175 0.280 3.757 1.00 . A A . 2 PRO HB3 1 1
7 403 1 1 2 PRO HD2 H 7.346 1.493 7.479 1.00 . A A . 2 PRO HD2 1 1
7 404 1 1 2 PRO HD3 H 8.530 0.430 6.689 1.00 . A A . 2 PRO HD3 1 1
7 405 1 1 2 PRO HG2 H 5.614 0.613 6.258 1.00 . A A . 2 PRO HG2 1 1
7 406 1 1 2 PRO HG3 H 6.739 -0.671 5.786 1.00 . A A . 2 PRO HG3 1 1
7 407 1 1 2 PRO N N 8.096 2.199 5.637 1.00 . A A . 2 PRO N 1 1
7 408 1 1 2 PRO O O 5.870 4.215 3.833 1.00 . A A . 2 PRO O 1 1
7 409 1 1 3 GLY C C 4.871 5.683 5.541 1.00 . A A . 3 GLY C 1 1
7 410 1 1 3 GLY CA C 4.454 4.354 6.163 1.00 . A A . 3 GLY CA 1 1
7 411 1 1 3 GLY H H 5.699 2.680 6.542 1.00 . A A . 3 GLY H 1 1
7 412 1 1 3 GLY HA2 H 3.497 4.032 5.751 1.00 . A A . 3 GLY HA2 1 1
7 413 1 1 3 GLY HA3 H 4.364 4.475 7.233 1.00 . A A . 3 GLY HA3 1 1
7 414 1 1 3 GLY N N 5.471 3.356 5.871 1.00 . A A . 3 GLY N 1 1
7 415 1 1 3 GLY O O 4.072 6.350 4.882 1.00 . A A . 3 GLY O 1 1
7 416 1 1 4 CYS C C 5.988 7.611 3.855 1.00 . A A . 4 CYS C 1 1
7 417 1 1 4 CYS CA C 6.661 7.295 5.186 1.00 . A A . 4 CYS CA 1 1
7 418 1 1 4 CYS CB C 8.176 7.174 4.983 1.00 . A A . 4 CYS CB 1 1
7 419 1 1 4 CYS H H 6.741 5.486 6.270 1.00 . A A . 4 CYS H 1 1
7 420 1 1 4 CYS HA H 6.467 8.094 5.876 1.00 . A A . 4 CYS HA 1 1
7 421 1 1 4 CYS HB2 H 8.375 6.665 4.051 1.00 . A A . 4 CYS HB2 1 1
7 422 1 1 4 CYS HB3 H 8.615 8.159 4.956 1.00 . A A . 4 CYS HB3 1 1
7 423 1 1 4 CYS N N 6.141 6.057 5.743 1.00 . A A . 4 CYS N 1 1
7 424 1 1 4 CYS O O 6.462 7.199 2.795 1.00 . A A . 4 CYS O 1 1
7 425 1 1 4 CYS SG S 8.896 6.228 6.351 1.00 . A A . 4 CYS SG 1 1
7 426 1 1 5 LYS C C 4.223 10.211 2.466 1.00 . A A . 5 LYS C 1 1
7 427 1 1 5 LYS CA C 4.148 8.706 2.708 1.00 . A A . 5 LYS CA 1 1
7 428 1 1 5 LYS CB C 2.684 8.280 2.837 1.00 . A A . 5 LYS CB 1 1
7 429 1 1 5 LYS CD C 0.797 8.070 4.468 1.00 . A A . 5 LYS CD 1 1
7 430 1 1 5 LYS CE C -0.352 9.068 4.316 1.00 . A A . 5 LYS CE 1 1
7 431 1 1 5 LYS CG C 2.125 8.772 4.175 1.00 . A A . 5 LYS CG 1 1
7 432 1 1 5 LYS H H 4.548 8.642 4.788 1.00 . A A . 5 LYS H 1 1
7 433 1 1 5 LYS HA H 4.586 8.194 1.865 1.00 . A A . 5 LYS HA 1 1
7 434 1 1 5 LYS HB2 H 2.112 8.709 2.027 1.00 . A A . 5 LYS HB2 1 1
7 435 1 1 5 LYS HB3 H 2.618 7.203 2.795 1.00 . A A . 5 LYS HB3 1 1
7 436 1 1 5 LYS HD2 H 0.660 7.253 3.775 1.00 . A A . 5 LYS HD2 1 1
7 437 1 1 5 LYS HD3 H 0.807 7.687 5.478 1.00 . A A . 5 LYS HD3 1 1
7 438 1 1 5 LYS HE2 H -1.290 8.534 4.277 1.00 . A A . 5 LYS HE2 1 1
7 439 1 1 5 LYS HE3 H -0.357 9.743 5.159 1.00 . A A . 5 LYS HE3 1 1
7 440 1 1 5 LYS HG2 H 2.832 8.549 4.962 1.00 . A A . 5 LYS HG2 1 1
7 441 1 1 5 LYS HG3 H 1.964 9.839 4.127 1.00 . A A . 5 LYS HG3 1 1
7 442 1 1 5 LYS HZ1 H -1.090 9.956 2.582 1.00 . A A . 5 LYS HZ1 1 1
7 443 1 1 5 LYS HZ2 H 0.486 9.340 2.430 1.00 . A A . 5 LYS HZ2 1 1
7 444 1 1 5 LYS HZ3 H 0.214 10.784 3.282 1.00 . A A . 5 LYS HZ3 1 1
7 445 1 1 5 LYS N N 4.880 8.343 3.916 1.00 . A A . 5 LYS N 1 1
7 446 1 1 5 LYS NZ N -0.172 9.846 3.057 1.00 . A A . 5 LYS NZ 1 1
7 447 1 1 5 LYS O O 3.990 10.622 1.342 1.00 . A A . 5 LYS O 1 1
7 448 1 1 5 LYS OXT O 4.511 10.928 3.409 1.00 . A A . 5 LYS OXT 1 1
8 449 1 1 1 DAL C C 9.162 3.014 5.675 1.00 . A A . 1 DAL C 1 1
8 450 1 1 1 DAL CA C 9.302 4.146 4.657 1.00 . A A . 1 DAL CA 1 1
8 451 1 1 1 DAL CB C 9.964 5.359 5.312 1.00 . A A . 1 DAL CB 1 1
8 452 1 1 1 DAL H2 H 10.589 2.776 3.762 1.00 . A A . 1 DAL H2 1 1
8 453 1 1 1 DAL H3 H 10.877 4.391 3.318 1.00 . A A . 1 DAL H3 1 1
8 454 1 1 1 DAL HA H 8.328 4.426 4.292 1.00 . A A . 1 DAL HA 1 1
8 455 1 1 1 DAL HB1 H 10.293 6.046 4.548 1.00 . A A . 1 DAL HB1 1 1
8 456 1 1 1 DAL HB2 H 10.815 5.032 5.893 1.00 . A A . 1 DAL HB2 1 1
8 457 1 1 1 DAL N N 10.142 3.683 3.517 1.00 . A A . 1 DAL N 1 1
8 458 1 1 1 DAL O O 9.976 2.887 6.590 1.00 . A A . 1 DAL O 1 1
8 459 1 1 2 PRO C C 6.076 3.341 4.757 1.00 . A A . 2 PRO C 1 1
8 460 1 1 2 PRO CA C 7.155 2.315 4.433 1.00 . A A . 2 PRO CA 1 1
8 461 1 1 2 PRO CB C 6.576 0.905 4.331 1.00 . A A . 2 PRO CB 1 1
8 462 1 1 2 PRO CD C 7.862 1.040 6.397 1.00 . A A . 2 PRO CD 1 1
8 463 1 1 2 PRO CG C 6.682 0.339 5.710 1.00 . A A . 2 PRO CG 1 1
8 464 1 1 2 PRO HA H 7.641 2.576 3.511 1.00 . A A . 2 PRO HA 1 1
8 465 1 1 2 PRO HB2 H 5.542 0.946 4.015 1.00 . A A . 2 PRO HB2 1 1
8 466 1 1 2 PRO HB3 H 7.157 0.309 3.642 1.00 . A A . 2 PRO HB3 1 1
8 467 1 1 2 PRO HD2 H 7.579 1.373 7.386 1.00 . A A . 2 PRO HD2 1 1
8 468 1 1 2 PRO HD3 H 8.716 0.384 6.446 1.00 . A A . 2 PRO HD3 1 1
8 469 1 1 2 PRO HG2 H 5.767 0.527 6.256 1.00 . A A . 2 PRO HG2 1 1
8 470 1 1 2 PRO HG3 H 6.872 -0.722 5.661 1.00 . A A . 2 PRO HG3 1 1
8 471 1 1 2 PRO N N 8.155 2.191 5.527 1.00 . A A . 2 PRO N 1 1
8 472 1 1 2 PRO O O 5.754 4.190 3.926 1.00 . A A . 2 PRO O 1 1
8 473 1 1 3 GLY C C 4.828 5.589 5.724 1.00 . A A . 3 GLY C 1 1
8 474 1 1 3 GLY CA C 4.510 4.238 6.358 1.00 . A A . 3 GLY CA 1 1
8 475 1 1 3 GLY H H 5.828 2.595 6.604 1.00 . A A . 3 GLY H 1 1
8 476 1 1 3 GLY HA2 H 3.532 3.889 6.021 1.00 . A A . 3 GLY HA2 1 1
8 477 1 1 3 GLY HA3 H 4.504 4.342 7.432 1.00 . A A . 3 GLY HA3 1 1
8 478 1 1 3 GLY N N 5.531 3.278 5.967 1.00 . A A . 3 GLY N 1 1
8 479 1 1 3 GLY O O 3.964 6.223 5.120 1.00 . A A . 3 GLY O 1 1
8 480 1 1 4 CYS C C 5.896 7.492 3.908 1.00 . A A . 4 CYS C 1 1
8 481 1 1 4 CYS CA C 6.523 7.281 5.283 1.00 . A A . 4 CYS CA 1 1
8 482 1 1 4 CYS CB C 8.050 7.297 5.160 1.00 . A A . 4 CYS CB 1 1
8 483 1 1 4 CYS H H 6.744 5.471 6.344 1.00 . A A . 4 CYS H 1 1
8 484 1 1 4 CYS HA H 6.217 8.080 5.933 1.00 . A A . 4 CYS HA 1 1
8 485 1 1 4 CYS HB2 H 8.334 6.969 4.171 1.00 . A A . 4 CYS HB2 1 1
8 486 1 1 4 CYS HB3 H 8.414 8.301 5.323 1.00 . A A . 4 CYS HB3 1 1
8 487 1 1 4 CYS N N 6.090 6.017 5.856 1.00 . A A . 4 CYS N 1 1
8 488 1 1 4 CYS O O 6.232 6.796 2.949 1.00 . A A . 4 CYS O 1 1
8 489 1 1 4 CYS SG S 8.770 6.185 6.398 1.00 . A A . 4 CYS SG 1 1
8 490 1 1 5 LYS C C 5.307 8.680 1.398 1.00 . A A . 5 LYS C 1 1
8 491 1 1 5 LYS CA C 4.316 8.748 2.556 1.00 . A A . 5 LYS CA 1 1
8 492 1 1 5 LYS CB C 3.684 10.140 2.609 1.00 . A A . 5 LYS CB 1 1
8 493 1 1 5 LYS CD C 2.140 9.617 4.503 1.00 . A A . 5 LYS CD 1 1
8 494 1 1 5 LYS CE C 1.005 8.610 4.698 1.00 . A A . 5 LYS CE 1 1
8 495 1 1 5 LYS CG C 2.218 10.021 3.029 1.00 . A A . 5 LYS CG 1 1
8 496 1 1 5 LYS H H 4.756 8.977 4.617 1.00 . A A . 5 LYS H 1 1
8 497 1 1 5 LYS HA H 3.538 8.017 2.394 1.00 . A A . 5 LYS HA 1 1
8 498 1 1 5 LYS HB2 H 4.217 10.749 3.324 1.00 . A A . 5 LYS HB2 1 1
8 499 1 1 5 LYS HB3 H 3.740 10.597 1.633 1.00 . A A . 5 LYS HB3 1 1
8 500 1 1 5 LYS HD2 H 3.076 9.168 4.803 1.00 . A A . 5 LYS HD2 1 1
8 501 1 1 5 LYS HD3 H 1.951 10.491 5.107 1.00 . A A . 5 LYS HD3 1 1
8 502 1 1 5 LYS HE2 H 0.897 8.388 5.749 1.00 . A A . 5 LYS HE2 1 1
8 503 1 1 5 LYS HE3 H 0.083 9.029 4.322 1.00 . A A . 5 LYS HE3 1 1
8 504 1 1 5 LYS HG2 H 1.726 10.973 2.890 1.00 . A A . 5 LYS HG2 1 1
8 505 1 1 5 LYS HG3 H 1.729 9.271 2.426 1.00 . A A . 5 LYS HG3 1 1
8 506 1 1 5 LYS HZ1 H 0.486 6.736 3.953 1.00 . A A . 5 LYS HZ1 1 1
8 507 1 1 5 LYS HZ2 H 2.114 6.871 4.417 1.00 . A A . 5 LYS HZ2 1 1
8 508 1 1 5 LYS HZ3 H 1.577 7.589 2.974 1.00 . A A . 5 LYS HZ3 1 1
8 509 1 1 5 LYS N N 4.984 8.454 3.820 1.00 . A A . 5 LYS N 1 1
8 510 1 1 5 LYS NZ N 1.319 7.357 3.955 1.00 . A A . 5 LYS NZ 1 1
8 511 1 1 5 LYS O O 5.375 7.641 0.762 1.00 . A A . 5 LYS O 1 1
8 512 1 1 5 LYS OXT O 5.982 9.669 1.164 1.00 . A A . 5 LYS OXT 1 1
9 513 1 1 1 DAL C C 9.134 3.021 5.862 1.00 . A A . 1 DAL C 1 1
9 514 1 1 1 DAL CA C 9.403 4.039 4.754 1.00 . A A . 1 DAL CA 1 1
9 515 1 1 1 DAL CB C 10.111 5.266 5.331 1.00 . A A . 1 DAL CB 1 1
9 516 1 1 1 DAL H2 H 10.251 2.382 3.821 1.00 . A A . 1 DAL H2 1 1
9 517 1 1 1 DAL H3 H 11.245 3.759 3.824 1.00 . A A . 1 DAL H3 1 1
9 518 1 1 1 DAL HA H 8.471 4.343 4.307 1.00 . A A . 1 DAL HA 1 1
9 519 1 1 1 DAL HB1 H 10.510 5.864 4.524 1.00 . A A . 1 DAL HB1 1 1
9 520 1 1 1 DAL HB2 H 10.919 4.946 5.975 1.00 . A A . 1 DAL HB2 1 1
9 521 1 1 1 DAL N N 10.270 3.417 3.713 1.00 . A A . 1 DAL N 1 1
9 522 1 1 1 DAL O O 9.870 2.954 6.847 1.00 . A A . 1 DAL O 1 1
9 523 1 1 2 PRO C C 6.114 3.348 4.702 1.00 . A A . 2 PRO C 1 1
9 524 1 1 2 PRO CA C 7.194 2.285 4.539 1.00 . A A . 2 PRO CA 1 1
9 525 1 1 2 PRO CB C 6.598 0.879 4.500 1.00 . A A . 2 PRO CB 1 1
9 526 1 1 2 PRO CD C 7.688 1.183 6.662 1.00 . A A . 2 PRO CD 1 1
9 527 1 1 2 PRO CG C 6.568 0.430 5.928 1.00 . A A . 2 PRO CG 1 1
9 528 1 1 2 PRO HA H 7.755 2.468 3.641 1.00 . A A . 2 PRO HA 1 1
9 529 1 1 2 PRO HB2 H 5.598 0.906 4.088 1.00 . A A . 2 PRO HB2 1 1
9 530 1 1 2 PRO HB3 H 7.229 0.221 3.921 1.00 . A A . 2 PRO HB3 1 1
9 531 1 1 2 PRO HD2 H 7.311 1.622 7.575 1.00 . A A . 2 PRO HD2 1 1
9 532 1 1 2 PRO HD3 H 8.515 0.522 6.870 1.00 . A A . 2 PRO HD3 1 1
9 533 1 1 2 PRO HG2 H 5.609 0.669 6.367 1.00 . A A . 2 PRO HG2 1 1
9 534 1 1 2 PRO HG3 H 6.748 -0.631 5.985 1.00 . A A . 2 PRO HG3 1 1
9 535 1 1 2 PRO N N 8.102 2.230 5.715 1.00 . A A . 2 PRO N 1 1
9 536 1 1 2 PRO O O 5.884 4.150 3.796 1.00 . A A . 2 PRO O 1 1
9 537 1 1 3 GLY C C 4.864 5.691 5.480 1.00 . A A . 3 GLY C 1 1
9 538 1 1 3 GLY CA C 4.433 4.367 6.104 1.00 . A A . 3 GLY CA 1 1
9 539 1 1 3 GLY H H 5.691 2.722 6.562 1.00 . A A . 3 GLY H 1 1
9 540 1 1 3 GLY HA2 H 3.493 4.035 5.662 1.00 . A A . 3 GLY HA2 1 1
9 541 1 1 3 GLY HA3 H 4.304 4.499 7.168 1.00 . A A . 3 GLY HA3 1 1
9 542 1 1 3 GLY N N 5.464 3.369 5.862 1.00 . A A . 3 GLY N 1 1
9 543 1 1 3 GLY O O 4.075 6.363 4.818 1.00 . A A . 3 GLY O 1 1
9 544 1 1 4 CYS C C 5.973 7.638 3.828 1.00 . A A . 4 CYS C 1 1
9 545 1 1 4 CYS CA C 6.672 7.285 5.136 1.00 . A A . 4 CYS CA 1 1
9 546 1 1 4 CYS CB C 8.176 7.133 4.891 1.00 . A A . 4 CYS CB 1 1
9 547 1 1 4 CYS H H 6.728 5.477 6.222 1.00 . A A . 4 CYS H 1 1
9 548 1 1 4 CYS HA H 6.514 8.080 5.843 1.00 . A A . 4 CYS HA 1 1
9 549 1 1 4 CYS HB2 H 8.337 6.573 3.983 1.00 . A A . 4 CYS HB2 1 1
9 550 1 1 4 CYS HB3 H 8.626 8.111 4.797 1.00 . A A . 4 CYS HB3 1 1
9 551 1 1 4 CYS N N 6.136 6.053 5.689 1.00 . A A . 4 CYS N 1 1
9 552 1 1 4 CYS O O 6.433 7.270 2.747 1.00 . A A . 4 CYS O 1 1
9 553 1 1 4 CYS SG S 8.929 6.253 6.285 1.00 . A A . 4 CYS SG 1 1
9 554 1 1 5 LYS C C 4.237 10.252 2.511 1.00 . A A . 5 LYS C 1 1
9 555 1 1 5 LYS CA C 4.103 8.752 2.753 1.00 . A A . 5 LYS CA 1 1
9 556 1 1 5 LYS CB C 2.626 8.391 2.932 1.00 . A A . 5 LYS CB 1 1
9 557 1 1 5 LYS CD C 0.619 8.810 4.361 1.00 . A A . 5 LYS CD 1 1
9 558 1 1 5 LYS CE C 0.279 9.322 5.761 1.00 . A A . 5 LYS CE 1 1
9 559 1 1 5 LYS CG C 1.983 9.354 3.931 1.00 . A A . 5 LYS CG 1 1
9 560 1 1 5 LYS H H 4.541 8.618 4.822 1.00 . A A . 5 LYS H 1 1
9 561 1 1 5 LYS HA H 4.488 8.222 1.894 1.00 . A A . 5 LYS HA 1 1
9 562 1 1 5 LYS HB2 H 2.119 8.466 1.980 1.00 . A A . 5 LYS HB2 1 1
9 563 1 1 5 LYS HB3 H 2.545 7.382 3.305 1.00 . A A . 5 LYS HB3 1 1
9 564 1 1 5 LYS HD2 H -0.137 9.139 3.662 1.00 . A A . 5 LYS HD2 1 1
9 565 1 1 5 LYS HD3 H 0.651 7.730 4.373 1.00 . A A . 5 LYS HD3 1 1
9 566 1 1 5 LYS HE2 H -0.541 8.747 6.166 1.00 . A A . 5 LYS HE2 1 1
9 567 1 1 5 LYS HE3 H 1.142 9.219 6.403 1.00 . A A . 5 LYS HE3 1 1
9 568 1 1 5 LYS HG2 H 2.622 9.454 4.796 1.00 . A A . 5 LYS HG2 1 1
9 569 1 1 5 LYS HG3 H 1.852 10.321 3.467 1.00 . A A . 5 LYS HG3 1 1
9 570 1 1 5 LYS HZ1 H -0.494 10.963 4.739 1.00 . A A . 5 LYS HZ1 1 1
9 571 1 1 5 LYS HZ2 H 0.721 11.355 5.860 1.00 . A A . 5 LYS HZ2 1 1
9 572 1 1 5 LYS HZ3 H -0.842 10.958 6.399 1.00 . A A . 5 LYS HZ3 1 1
9 573 1 1 5 LYS N N 4.859 8.353 3.934 1.00 . A A . 5 LYS N 1 1
9 574 1 1 5 LYS NZ N -0.114 10.758 5.684 1.00 . A A . 5 LYS NZ 1 1
9 575 1 1 5 LYS O O 4.378 10.637 1.362 1.00 . A A . 5 LYS O 1 1
9 576 1 1 5 LYS OXT O 4.196 10.993 3.480 1.00 . A A . 5 LYS OXT 1 1
10 577 1 1 1 DAL C C 9.191 3.050 5.769 1.00 . A A . 1 DAL C 1 1
10 578 1 1 1 DAL CA C 9.352 4.104 4.675 1.00 . A A . 1 DAL CA 1 1
10 579 1 1 1 DAL CB C 10.026 5.353 5.248 1.00 . A A . 1 DAL CB 1 1
10 580 1 1 1 DAL H2 H 10.175 4.205 2.766 1.00 . A A . 1 DAL H2 1 1
10 581 1 1 1 DAL H3 H 9.821 2.627 3.286 1.00 . A A . 1 DAL H3 1 1
10 582 1 1 1 DAL HA H 8.383 4.372 4.284 1.00 . A A . 1 DAL HA 1 1
10 583 1 1 1 DAL HB1 H 10.365 5.982 4.439 1.00 . A A . 1 DAL HB1 1 1
10 584 1 1 1 DAL HB2 H 10.870 5.059 5.855 1.00 . A A . 1 DAL HB2 1 1
10 585 1 1 1 DAL N N 10.194 3.552 3.577 1.00 . A A . 1 DAL N 1 1
10 586 1 1 1 DAL O O 9.986 2.990 6.708 1.00 . A A . 1 DAL O 1 1
10 587 1 1 2 PRO C C 6.110 3.288 4.780 1.00 . A A . 2 PRO C 1 1
10 588 1 1 2 PRO CA C 7.210 2.263 4.540 1.00 . A A . 2 PRO CA 1 1
10 589 1 1 2 PRO CB C 6.656 0.840 4.509 1.00 . A A . 2 PRO CB 1 1
10 590 1 1 2 PRO CD C 7.873 1.132 6.601 1.00 . A A . 2 PRO CD 1 1
10 591 1 1 2 PRO CG C 6.728 0.364 5.926 1.00 . A A . 2 PRO CG 1 1
10 592 1 1 2 PRO HA H 7.714 2.477 3.614 1.00 . A A . 2 PRO HA 1 1
10 593 1 1 2 PRO HB2 H 5.632 0.842 4.159 1.00 . A A . 2 PRO HB2 1 1
10 594 1 1 2 PRO HB3 H 7.268 0.212 3.879 1.00 . A A . 2 PRO HB3 1 1
10 595 1 1 2 PRO HD2 H 7.548 1.533 7.552 1.00 . A A . 2 PRO HD2 1 1
10 596 1 1 2 PRO HD3 H 8.732 0.493 6.733 1.00 . A A . 2 PRO HD3 1 1
10 597 1 1 2 PRO HG2 H 5.793 0.569 6.430 1.00 . A A . 2 PRO HG2 1 1
10 598 1 1 2 PRO HG3 H 6.939 -0.694 5.950 1.00 . A A . 2 PRO HG3 1 1
10 599 1 1 2 PRO N N 8.186 2.218 5.660 1.00 . A A . 2 PRO N 1 1
10 600 1 1 2 PRO O O 5.806 4.095 3.901 1.00 . A A . 2 PRO O 1 1
10 601 1 1 3 GLY C C 4.816 5.570 5.625 1.00 . A A . 3 GLY C 1 1
10 602 1 1 3 GLY CA C 4.480 4.237 6.286 1.00 . A A . 3 GLY CA 1 1
10 603 1 1 3 GLY H H 5.808 2.624 6.651 1.00 . A A . 3 GLY H 1 1
10 604 1 1 3 GLY HA2 H 3.522 3.868 5.915 1.00 . A A . 3 GLY HA2 1 1
10 605 1 1 3 GLY HA3 H 4.424 4.373 7.355 1.00 . A A . 3 GLY HA3 1 1
10 606 1 1 3 GLY N N 5.526 3.274 5.974 1.00 . A A . 3 GLY N 1 1
10 607 1 1 3 GLY O O 3.964 6.195 4.995 1.00 . A A . 3 GLY O 1 1
10 608 1 1 4 CYS C C 5.806 7.497 3.848 1.00 . A A . 4 CYS C 1 1
10 609 1 1 4 CYS CA C 6.527 7.242 5.167 1.00 . A A . 4 CYS CA 1 1
10 610 1 1 4 CYS CB C 8.039 7.190 4.926 1.00 . A A . 4 CYS CB 1 1
10 611 1 1 4 CYS H H 6.723 5.455 6.273 1.00 . A A . 4 CYS H 1 1
10 612 1 1 4 CYS HA H 6.311 8.047 5.846 1.00 . A A . 4 CYS HA 1 1
10 613 1 1 4 CYS HB2 H 8.235 6.699 3.984 1.00 . A A . 4 CYS HB2 1 1
10 614 1 1 4 CYS HB3 H 8.433 8.195 4.897 1.00 . A A . 4 CYS HB3 1 1
10 615 1 1 4 CYS N N 6.079 5.994 5.764 1.00 . A A . 4 CYS N 1 1
10 616 1 1 4 CYS O O 5.993 6.767 2.875 1.00 . A A . 4 CYS O 1 1
10 617 1 1 4 CYS SG S 8.836 6.266 6.266 1.00 . A A . 4 CYS SG 1 1
10 618 1 1 5 LYS C C 5.108 9.689 1.661 1.00 . A A . 5 LYS C 1 1
10 619 1 1 5 LYS CA C 4.235 8.882 2.618 1.00 . A A . 5 LYS CA 1 1
10 620 1 1 5 LYS CB C 2.993 9.695 2.987 1.00 . A A . 5 LYS CB 1 1
10 621 1 1 5 LYS CD C 1.072 10.905 1.942 1.00 . A A . 5 LYS CD 1 1
10 622 1 1 5 LYS CE C 0.234 11.044 0.669 1.00 . A A . 5 LYS CE 1 1
10 623 1 1 5 LYS CG C 2.023 9.715 1.803 1.00 . A A . 5 LYS CG 1 1
10 624 1 1 5 LYS H H 4.873 9.084 4.630 1.00 . A A . 5 LYS H 1 1
10 625 1 1 5 LYS HA H 3.924 7.973 2.128 1.00 . A A . 5 LYS HA 1 1
10 626 1 1 5 LYS HB2 H 2.509 9.245 3.842 1.00 . A A . 5 LYS HB2 1 1
10 627 1 1 5 LYS HB3 H 3.282 10.706 3.229 1.00 . A A . 5 LYS HB3 1 1
10 628 1 1 5 LYS HD2 H 0.419 10.747 2.788 1.00 . A A . 5 LYS HD2 1 1
10 629 1 1 5 LYS HD3 H 1.645 11.807 2.093 1.00 . A A . 5 LYS HD3 1 1
10 630 1 1 5 LYS HE2 H 0.513 10.273 -0.033 1.00 . A A . 5 LYS HE2 1 1
10 631 1 1 5 LYS HE3 H -0.814 10.945 0.915 1.00 . A A . 5 LYS HE3 1 1
10 632 1 1 5 LYS HG2 H 2.582 9.804 0.883 1.00 . A A . 5 LYS HG2 1 1
10 633 1 1 5 LYS HG3 H 1.452 8.799 1.791 1.00 . A A . 5 LYS HG3 1 1
10 634 1 1 5 LYS HZ1 H 0.711 12.267 -0.947 1.00 . A A . 5 LYS HZ1 1 1
10 635 1 1 5 LYS HZ2 H 1.266 12.849 0.550 1.00 . A A . 5 LYS HZ2 1 1
10 636 1 1 5 LYS HZ3 H -0.381 12.964 0.148 1.00 . A A . 5 LYS HZ3 1 1
10 637 1 1 5 LYS N N 4.982 8.538 3.824 1.00 . A A . 5 LYS N 1 1
10 638 1 1 5 LYS NZ N 0.476 12.382 0.059 1.00 . A A . 5 LYS NZ 1 1
10 639 1 1 5 LYS O O 5.127 10.902 1.789 1.00 . A A . 5 LYS O 1 1
10 640 1 1 5 LYS OXT O 5.743 9.081 0.816 1.00 . A A . 5 LYS OXT 1 1
11 641 1 1 1 DAL C C 9.223 3.101 5.631 1.00 . A A . 1 DAL C 1 1
11 642 1 1 1 DAL CA C 9.278 4.193 4.564 1.00 . A A . 1 DAL CA 1 1
11 643 1 1 1 DAL CB C 9.910 5.460 5.143 1.00 . A A . 1 DAL CB 1 1
11 644 1 1 1 DAL H2 H 9.469 3.353 2.668 1.00 . A A . 1 DAL H2 1 1
11 645 1 1 1 DAL H3 H 10.737 2.963 3.730 1.00 . A A . 1 DAL H3 1 1
11 646 1 1 1 DAL HA H 8.281 4.419 4.222 1.00 . A A . 1 DAL HA 1 1
11 647 1 1 1 DAL HB1 H 10.158 6.138 4.340 1.00 . A A . 1 DAL HB1 1 1
11 648 1 1 1 DAL HB2 H 10.809 5.197 5.683 1.00 . A A . 1 DAL HB2 1 1
11 649 1 1 1 DAL N N 10.098 3.718 3.413 1.00 . A A . 1 DAL N 1 1
11 650 1 1 1 DAL O O 10.077 3.045 6.517 1.00 . A A . 1 DAL O 1 1
11 651 1 1 2 PRO C C 6.083 3.259 4.839 1.00 . A A . 2 PRO C 1 1
11 652 1 1 2 PRO CA C 7.195 2.274 4.506 1.00 . A A . 2 PRO CA 1 1
11 653 1 1 2 PRO CB C 6.681 0.836 4.479 1.00 . A A . 2 PRO CB 1 1
11 654 1 1 2 PRO CD C 8.030 1.114 6.489 1.00 . A A . 2 PRO CD 1 1
11 655 1 1 2 PRO CG C 6.857 0.335 5.877 1.00 . A A . 2 PRO CG 1 1
11 656 1 1 2 PRO HA H 7.630 2.522 3.555 1.00 . A A . 2 PRO HA 1 1
11 657 1 1 2 PRO HB2 H 5.636 0.815 4.196 1.00 . A A . 2 PRO HB2 1 1
11 658 1 1 2 PRO HB3 H 7.268 0.238 3.797 1.00 . A A . 2 PRO HB3 1 1
11 659 1 1 2 PRO HD2 H 7.768 1.477 7.474 1.00 . A A . 2 PRO HD2 1 1
11 660 1 1 2 PRO HD3 H 8.913 0.495 6.534 1.00 . A A . 2 PRO HD3 1 1
11 661 1 1 2 PRO HG2 H 5.955 0.511 6.447 1.00 . A A . 2 PRO HG2 1 1
11 662 1 1 2 PRO HG3 H 7.089 -0.718 5.866 1.00 . A A . 2 PRO HG3 1 1
11 663 1 1 2 PRO N N 8.242 2.236 5.561 1.00 . A A . 2 PRO N 1 1
11 664 1 1 2 PRO O O 5.695 4.070 4.000 1.00 . A A . 2 PRO O 1 1
11 665 1 1 3 GLY C C 4.773 5.478 5.806 1.00 . A A . 3 GLY C 1 1
11 666 1 1 3 GLY CA C 4.531 4.127 6.471 1.00 . A A . 3 GLY CA 1 1
11 667 1 1 3 GLY H H 5.930 2.552 6.713 1.00 . A A . 3 GLY H 1 1
11 668 1 1 3 GLY HA2 H 3.561 3.730 6.167 1.00 . A A . 3 GLY HA2 1 1
11 669 1 1 3 GLY HA3 H 4.549 4.249 7.544 1.00 . A A . 3 GLY HA3 1 1
11 670 1 1 3 GLY N N 5.581 3.205 6.070 1.00 . A A . 3 GLY N 1 1
11 671 1 1 3 GLY O O 3.859 6.071 5.232 1.00 . A A . 3 GLY O 1 1
11 672 1 1 4 CYS C C 5.651 7.409 3.941 1.00 . A A . 4 CYS C 1 1
11 673 1 1 4 CYS CA C 6.379 7.228 5.269 1.00 . A A . 4 CYS CA 1 1
11 674 1 1 4 CYS CB C 7.892 7.286 5.037 1.00 . A A . 4 CYS CB 1 1
11 675 1 1 4 CYS H H 6.716 5.443 6.345 1.00 . A A . 4 CYS H 1 1
11 676 1 1 4 CYS HA H 6.098 8.023 5.935 1.00 . A A . 4 CYS HA 1 1
11 677 1 1 4 CYS HB2 H 8.118 6.920 4.047 1.00 . A A . 4 CYS HB2 1 1
11 678 1 1 4 CYS HB3 H 8.231 8.308 5.129 1.00 . A A . 4 CYS HB3 1 1
11 679 1 1 4 CYS N N 6.021 5.957 5.878 1.00 . A A . 4 CYS N 1 1
11 680 1 1 4 CYS O O 5.558 6.480 3.141 1.00 . A A . 4 CYS O 1 1
11 681 1 1 4 CYS SG S 8.735 6.258 6.269 1.00 . A A . 4 CYS SG 1 1
11 682 1 1 5 LYS C C 5.072 10.077 1.745 1.00 . A A . 5 LYS C 1 1
11 683 1 1 5 LYS CA C 4.422 8.907 2.477 1.00 . A A . 5 LYS CA 1 1
11 684 1 1 5 LYS CB C 2.962 9.242 2.785 1.00 . A A . 5 LYS CB 1 1
11 685 1 1 5 LYS CD C 1.383 8.352 4.505 1.00 . A A . 5 LYS CD 1 1
11 686 1 1 5 LYS CE C 0.171 9.163 4.041 1.00 . A A . 5 LYS CE 1 1
11 687 1 1 5 LYS CG C 2.247 7.990 3.297 1.00 . A A . 5 LYS CG 1 1
11 688 1 1 5 LYS H H 5.244 9.318 4.387 1.00 . A A . 5 LYS H 1 1
11 689 1 1 5 LYS HA H 4.452 8.035 1.840 1.00 . A A . 5 LYS HA 1 1
11 690 1 1 5 LYS HB2 H 2.922 10.015 3.540 1.00 . A A . 5 LYS HB2 1 1
11 691 1 1 5 LYS HB3 H 2.475 9.590 1.887 1.00 . A A . 5 LYS HB3 1 1
11 692 1 1 5 LYS HD2 H 1.046 7.448 4.991 1.00 . A A . 5 LYS HD2 1 1
11 693 1 1 5 LYS HD3 H 1.962 8.941 5.201 1.00 . A A . 5 LYS HD3 1 1
11 694 1 1 5 LYS HE2 H 0.508 10.071 3.563 1.00 . A A . 5 LYS HE2 1 1
11 695 1 1 5 LYS HE3 H -0.405 8.580 3.338 1.00 . A A . 5 LYS HE3 1 1
11 696 1 1 5 LYS HG2 H 1.623 7.587 2.514 1.00 . A A . 5 LYS HG2 1 1
11 697 1 1 5 LYS HG3 H 2.979 7.252 3.590 1.00 . A A . 5 LYS HG3 1 1
11 698 1 1 5 LYS HZ1 H -1.254 8.683 5.480 1.00 . A A . 5 LYS HZ1 1 1
11 699 1 1 5 LYS HZ2 H -1.301 10.304 4.973 1.00 . A A . 5 LYS HZ2 1 1
11 700 1 1 5 LYS HZ3 H -0.070 9.772 6.018 1.00 . A A . 5 LYS HZ3 1 1
11 701 1 1 5 LYS N N 5.138 8.615 3.713 1.00 . A A . 5 LYS N 1 1
11 702 1 1 5 LYS NZ N -0.678 9.507 5.217 1.00 . A A . 5 LYS NZ 1 1
11 703 1 1 5 LYS O O 4.343 10.876 1.181 1.00 . A A . 5 LYS O 1 1
11 704 1 1 5 LYS OXT O 6.289 10.158 1.761 1.00 . A A . 5 LYS OXT 1 1
12 705 1 1 1 DAL C C 9.193 3.055 5.771 1.00 . A A . 1 DAL C 1 1
12 706 1 1 1 DAL CA C 9.348 4.108 4.674 1.00 . A A . 1 DAL CA 1 1
12 707 1 1 1 DAL CB C 10.026 5.356 5.239 1.00 . A A . 1 DAL CB 1 1
12 708 1 1 1 DAL H2 H 10.884 4.260 3.276 1.00 . A A . 1 DAL H2 1 1
12 709 1 1 1 DAL H3 H 9.571 3.310 2.763 1.00 . A A . 1 DAL H3 1 1
12 710 1 1 1 DAL HA H 8.377 4.374 4.288 1.00 . A A . 1 DAL HA 1 1
12 711 1 1 1 DAL HB1 H 10.367 5.980 4.425 1.00 . A A . 1 DAL HB1 1 1
12 712 1 1 1 DAL HB2 H 10.870 5.062 5.846 1.00 . A A . 1 DAL HB2 1 1
12 713 1 1 1 DAL N N 10.181 3.551 3.570 1.00 . A A . 1 DAL N 1 1
12 714 1 1 1 DAL O O 9.989 3.003 6.710 1.00 . A A . 1 DAL O 1 1
12 715 1 1 2 PRO C C 6.112 3.282 4.784 1.00 . A A . 2 PRO C 1 1
12 716 1 1 2 PRO CA C 7.215 2.258 4.546 1.00 . A A . 2 PRO CA 1 1
12 717 1 1 2 PRO CB C 6.667 0.834 4.518 1.00 . A A . 2 PRO CB 1 1
12 718 1 1 2 PRO CD C 7.882 1.136 6.610 1.00 . A A . 2 PRO CD 1 1
12 719 1 1 2 PRO CG C 6.742 0.359 5.935 1.00 . A A . 2 PRO CG 1 1
12 720 1 1 2 PRO HA H 7.717 2.473 3.619 1.00 . A A . 2 PRO HA 1 1
12 721 1 1 2 PRO HB2 H 5.642 0.832 4.171 1.00 . A A . 2 PRO HB2 1 1
12 722 1 1 2 PRO HB3 H 7.280 0.207 3.887 1.00 . A A . 2 PRO HB3 1 1
12 723 1 1 2 PRO HD2 H 7.554 1.538 7.559 1.00 . A A . 2 PRO HD2 1 1
12 724 1 1 2 PRO HD3 H 8.745 0.501 6.744 1.00 . A A . 2 PRO HD3 1 1
12 725 1 1 2 PRO HG2 H 5.807 0.559 6.440 1.00 . A A . 2 PRO HG2 1 1
12 726 1 1 2 PRO HG3 H 6.960 -0.696 5.961 1.00 . A A . 2 PRO HG3 1 1
12 727 1 1 2 PRO N N 8.192 2.220 5.666 1.00 . A A . 2 PRO N 1 1
12 728 1 1 2 PRO O O 5.802 4.083 3.903 1.00 . A A . 2 PRO O 1 1
12 729 1 1 3 GLY C C 4.816 5.563 5.626 1.00 . A A . 3 GLY C 1 1
12 730 1 1 3 GLY CA C 4.482 4.230 6.291 1.00 . A A . 3 GLY CA 1 1
12 731 1 1 3 GLY H H 5.818 2.623 6.659 1.00 . A A . 3 GLY H 1 1
12 732 1 1 3 GLY HA2 H 3.524 3.858 5.922 1.00 . A A . 3 GLY HA2 1 1
12 733 1 1 3 GLY HA3 H 4.427 4.369 7.360 1.00 . A A . 3 GLY HA3 1 1
12 734 1 1 3 GLY N N 5.530 3.269 5.981 1.00 . A A . 3 GLY N 1 1
12 735 1 1 3 GLY O O 3.959 6.184 4.996 1.00 . A A . 3 GLY O 1 1
12 736 1 1 4 CYS C C 5.789 7.490 3.846 1.00 . A A . 4 CYS C 1 1
12 737 1 1 4 CYS CA C 6.521 7.236 5.159 1.00 . A A . 4 CYS CA 1 1
12 738 1 1 4 CYS CB C 8.031 7.181 4.905 1.00 . A A . 4 CYS CB 1 1
12 739 1 1 4 CYS H H 6.724 5.452 6.269 1.00 . A A . 4 CYS H 1 1
12 740 1 1 4 CYS HA H 6.312 8.041 5.838 1.00 . A A . 4 CYS HA 1 1
12 741 1 1 4 CYS HB2 H 8.220 6.676 3.969 1.00 . A A . 4 CYS HB2 1 1
12 742 1 1 4 CYS HB3 H 8.424 8.186 4.857 1.00 . A A . 4 CYS HB3 1 1
12 743 1 1 4 CYS N N 6.077 5.989 5.760 1.00 . A A . 4 CYS N 1 1
12 744 1 1 4 CYS O O 5.944 6.740 2.882 1.00 . A A . 4 CYS O 1 1
12 745 1 1 4 CYS SG S 8.841 6.279 6.252 1.00 . A A . 4 CYS SG 1 1
12 746 1 1 5 LYS C C 4.593 10.304 2.149 1.00 . A A . 5 LYS C 1 1
12 747 1 1 5 LYS CA C 4.238 8.897 2.617 1.00 . A A . 5 LYS CA 1 1
12 748 1 1 5 LYS CB C 2.737 8.813 2.900 1.00 . A A . 5 LYS CB 1 1
12 749 1 1 5 LYS CD C 0.521 8.439 1.810 1.00 . A A . 5 LYS CD 1 1
12 750 1 1 5 LYS CE C -0.250 8.505 0.489 1.00 . A A . 5 LYS CE 1 1
12 751 1 1 5 LYS CG C 1.965 8.887 1.582 1.00 . A A . 5 LYS CG 1 1
12 752 1 1 5 LYS H H 4.908 9.112 4.616 1.00 . A A . 5 LYS H 1 1
12 753 1 1 5 LYS HA H 4.484 8.195 1.835 1.00 . A A . 5 LYS HA 1 1
12 754 1 1 5 LYS HB2 H 2.516 7.880 3.396 1.00 . A A . 5 LYS HB2 1 1
12 755 1 1 5 LYS HB3 H 2.444 9.637 3.534 1.00 . A A . 5 LYS HB3 1 1
12 756 1 1 5 LYS HD2 H 0.514 7.424 2.181 1.00 . A A . 5 LYS HD2 1 1
12 757 1 1 5 LYS HD3 H 0.050 9.090 2.531 1.00 . A A . 5 LYS HD3 1 1
12 758 1 1 5 LYS HE2 H -0.030 9.438 -0.009 1.00 . A A . 5 LYS HE2 1 1
12 759 1 1 5 LYS HE3 H 0.048 7.680 -0.143 1.00 . A A . 5 LYS HE3 1 1
12 760 1 1 5 LYS HG2 H 1.973 9.905 1.217 1.00 . A A . 5 LYS HG2 1 1
12 761 1 1 5 LYS HG3 H 2.431 8.240 0.854 1.00 . A A . 5 LYS HG3 1 1
12 762 1 1 5 LYS HZ1 H -1.953 9.043 1.559 1.00 . A A . 5 LYS HZ1 1 1
12 763 1 1 5 LYS HZ2 H -1.963 7.438 1.000 1.00 . A A . 5 LYS HZ2 1 1
12 764 1 1 5 LYS HZ3 H -2.240 8.719 -0.081 1.00 . A A . 5 LYS HZ3 1 1
12 765 1 1 5 LYS N N 4.991 8.551 3.817 1.00 . A A . 5 LYS N 1 1
12 766 1 1 5 LYS NZ N -1.712 8.420 0.763 1.00 . A A . 5 LYS NZ 1 1
12 767 1 1 5 LYS O O 3.909 11.232 2.552 1.00 . A A . 5 LYS O 1 1
12 768 1 1 5 LYS OXT O 5.543 10.435 1.394 1.00 . A A . 5 LYS OXT 1 1
13 769 1 1 1 DAL C C 9.179 3.077 5.859 1.00 . A A . 1 DAL C 1 1
13 770 1 1 1 DAL CA C 9.375 4.069 4.716 1.00 . A A . 1 DAL CA 1 1
13 771 1 1 1 DAL CB C 10.089 5.322 5.228 1.00 . A A . 1 DAL CB 1 1
13 772 1 1 1 DAL H2 H 11.102 3.116 4.050 1.00 . A A . 1 DAL H2 1 1
13 773 1 1 1 DAL H3 H 10.378 4.127 2.892 1.00 . A A . 1 DAL H3 1 1
13 774 1 1 1 DAL HA H 8.415 4.348 4.309 1.00 . A A . 1 DAL HA 1 1
13 775 1 1 1 DAL HB1 H 10.457 5.895 4.389 1.00 . A A . 1 DAL HB1 1 1
13 776 1 1 1 DAL HB2 H 10.919 5.031 5.856 1.00 . A A . 1 DAL HB2 1 1
13 777 1 1 1 DAL N N 10.198 3.436 3.647 1.00 . A A . 1 DAL N 1 1
13 778 1 1 1 DAL O O 9.943 3.066 6.824 1.00 . A A . 1 DAL O 1 1
13 779 1 1 2 PRO C C 6.131 3.268 4.764 1.00 . A A . 2 PRO C 1 1
13 780 1 1 2 PRO CA C 7.241 2.237 4.607 1.00 . A A . 2 PRO CA 1 1
13 781 1 1 2 PRO CB C 6.693 0.812 4.619 1.00 . A A . 2 PRO CB 1 1
13 782 1 1 2 PRO CD C 7.826 1.208 6.743 1.00 . A A . 2 PRO CD 1 1
13 783 1 1 2 PRO CG C 6.714 0.400 6.057 1.00 . A A . 2 PRO CG 1 1
13 784 1 1 2 PRO HA H 7.776 2.414 3.692 1.00 . A A . 2 PRO HA 1 1
13 785 1 1 2 PRO HB2 H 5.682 0.794 4.234 1.00 . A A . 2 PRO HB2 1 1
13 786 1 1 2 PRO HB3 H 7.329 0.159 4.040 1.00 . A A . 2 PRO HB3 1 1
13 787 1 1 2 PRO HD2 H 7.458 1.658 7.656 1.00 . A A . 2 PRO HD2 1 1
13 788 1 1 2 PRO HD3 H 8.680 0.582 6.945 1.00 . A A . 2 PRO HD3 1 1
13 789 1 1 2 PRO HG2 H 5.759 0.617 6.516 1.00 . A A . 2 PRO HG2 1 1
13 790 1 1 2 PRO HG3 H 6.933 -0.654 6.137 1.00 . A A . 2 PRO HG3 1 1
13 791 1 1 2 PRO N N 8.176 2.245 5.760 1.00 . A A . 2 PRO N 1 1
13 792 1 1 2 PRO O O 5.852 4.031 3.840 1.00 . A A . 2 PRO O 1 1
13 793 1 1 3 GLY C C 4.835 5.599 5.511 1.00 . A A . 3 GLY C 1 1
13 794 1 1 3 GLY CA C 4.454 4.277 6.174 1.00 . A A . 3 GLY CA 1 1
13 795 1 1 3 GLY H H 5.774 2.689 6.653 1.00 . A A . 3 GLY H 1 1
13 796 1 1 3 GLY HA2 H 3.516 3.907 5.756 1.00 . A A . 3 GLY HA2 1 1
13 797 1 1 3 GLY HA3 H 4.338 4.434 7.235 1.00 . A A . 3 GLY HA3 1 1
13 798 1 1 3 GLY N N 5.510 3.305 5.938 1.00 . A A . 3 GLY N 1 1
13 799 1 1 3 GLY O O 4.009 6.238 4.858 1.00 . A A . 3 GLY O 1 1
13 800 1 1 4 CYS C C 5.834 7.546 3.795 1.00 . A A . 4 CYS C 1 1
13 801 1 1 4 CYS CA C 6.589 7.232 5.080 1.00 . A A . 4 CYS CA 1 1
13 802 1 1 4 CYS CB C 8.086 7.110 4.780 1.00 . A A . 4 CYS CB 1 1
13 803 1 1 4 CYS H H 6.724 5.448 6.202 1.00 . A A . 4 CYS H 1 1
13 804 1 1 4 CYS HA H 6.440 8.034 5.779 1.00 . A A . 4 CYS HA 1 1
13 805 1 1 4 CYS HB2 H 8.228 6.507 3.896 1.00 . A A . 4 CYS HB2 1 1
13 806 1 1 4 CYS HB3 H 8.500 8.094 4.615 1.00 . A A . 4 CYS HB3 1 1
13 807 1 1 4 CYS N N 6.102 5.997 5.674 1.00 . A A . 4 CYS N 1 1
13 808 1 1 4 CYS O O 6.062 6.921 2.759 1.00 . A A . 4 CYS O 1 1
13 809 1 1 4 CYS SG S 8.926 6.330 6.184 1.00 . A A . 4 CYS SG 1 1
13 810 1 1 5 LYS C C 4.654 10.236 2.143 1.00 . A A . 5 LYS C 1 1
13 811 1 1 5 LYS CA C 4.146 8.913 2.710 1.00 . A A . 5 LYS CA 1 1
13 812 1 1 5 LYS CB C 2.673 9.057 3.101 1.00 . A A . 5 LYS CB 1 1
13 813 1 1 5 LYS CD C 0.441 7.933 3.066 1.00 . A A . 5 LYS CD 1 1
13 814 1 1 5 LYS CE C -0.264 6.609 2.769 1.00 . A A . 5 LYS CE 1 1
13 815 1 1 5 LYS CG C 1.877 7.876 2.541 1.00 . A A . 5 LYS CG 1 1
13 816 1 1 5 LYS H H 4.798 8.978 4.726 1.00 . A A . 5 LYS H 1 1
13 817 1 1 5 LYS HA H 4.233 8.151 1.951 1.00 . A A . 5 LYS HA 1 1
13 818 1 1 5 LYS HB2 H 2.587 9.073 4.178 1.00 . A A . 5 LYS HB2 1 1
13 819 1 1 5 LYS HB3 H 2.281 9.978 2.695 1.00 . A A . 5 LYS HB3 1 1
13 820 1 1 5 LYS HD2 H 0.455 8.102 4.134 1.00 . A A . 5 LYS HD2 1 1
13 821 1 1 5 LYS HD3 H -0.089 8.738 2.580 1.00 . A A . 5 LYS HD3 1 1
13 822 1 1 5 LYS HE2 H 0.419 5.790 2.944 1.00 . A A . 5 LYS HE2 1 1
13 823 1 1 5 LYS HE3 H -1.123 6.505 3.414 1.00 . A A . 5 LYS HE3 1 1
13 824 1 1 5 LYS HG2 H 1.869 7.928 1.461 1.00 . A A . 5 LYS HG2 1 1
13 825 1 1 5 LYS HG3 H 2.337 6.951 2.854 1.00 . A A . 5 LYS HG3 1 1
13 826 1 1 5 LYS HZ1 H -1.699 6.892 1.287 1.00 . A A . 5 LYS HZ1 1 1
13 827 1 1 5 LYS HZ2 H -0.614 5.624 0.966 1.00 . A A . 5 LYS HZ2 1 1
13 828 1 1 5 LYS HZ3 H -0.115 7.239 0.789 1.00 . A A . 5 LYS HZ3 1 1
13 829 1 1 5 LYS N N 4.933 8.519 3.872 1.00 . A A . 5 LYS N 1 1
13 830 1 1 5 LYS NZ N -0.706 6.590 1.345 1.00 . A A . 5 LYS NZ 1 1
13 831 1 1 5 LYS O O 4.249 10.583 1.046 1.00 . A A . 5 LYS O 1 1
13 832 1 1 5 LYS OXT O 5.440 10.882 2.816 1.00 . A A . 5 LYS OXT 1 1
14 833 1 1 1 DAL C C 9.243 3.141 5.619 1.00 . A A . 1 DAL C 1 1
14 834 1 1 1 DAL CA C 9.264 4.208 4.524 1.00 . A A . 1 DAL CA 1 1
14 835 1 1 1 DAL CB C 9.889 5.496 5.061 1.00 . A A . 1 DAL CB 1 1
14 836 1 1 1 DAL H2 H 10.422 4.527 2.825 1.00 . A A . 1 DAL H2 1 1
14 837 1 1 1 DAL H3 H 9.465 3.124 2.759 1.00 . A A . 1 DAL H3 1 1
14 838 1 1 1 DAL HA H 8.257 4.412 4.198 1.00 . A A . 1 DAL HA 1 1
14 839 1 1 1 DAL HB1 H 10.104 6.163 4.238 1.00 . A A . 1 DAL HB1 1 1
14 840 1 1 1 DAL HB2 H 10.806 5.260 5.581 1.00 . A A . 1 DAL HB2 1 1
14 841 1 1 1 DAL N N 10.065 3.715 3.369 1.00 . A A . 1 DAL N 1 1
14 842 1 1 1 DAL O O 10.110 3.121 6.494 1.00 . A A . 1 DAL O 1 1
14 843 1 1 2 PRO C C 6.089 3.224 4.868 1.00 . A A . 2 PRO C 1 1
14 844 1 1 2 PRO CA C 7.216 2.253 4.541 1.00 . A A . 2 PRO CA 1 1
14 845 1 1 2 PRO CB C 6.732 0.804 4.549 1.00 . A A . 2 PRO CB 1 1
14 846 1 1 2 PRO CD C 8.098 1.152 6.537 1.00 . A A . 2 PRO CD 1 1
14 847 1 1 2 PRO CG C 6.939 0.332 5.953 1.00 . A A . 2 PRO CG 1 1
14 848 1 1 2 PRO HA H 7.634 2.490 3.580 1.00 . A A . 2 PRO HA 1 1
14 849 1 1 2 PRO HB2 H 5.684 0.756 4.281 1.00 . A A . 2 PRO HB2 1 1
14 850 1 1 2 PRO HB3 H 7.322 0.206 3.870 1.00 . A A . 2 PRO HB3 1 1
14 851 1 1 2 PRO HD2 H 7.836 1.532 7.515 1.00 . A A . 2 PRO HD2 1 1
14 852 1 1 2 PRO HD3 H 8.995 0.555 6.589 1.00 . A A . 2 PRO HD3 1 1
14 853 1 1 2 PRO HG2 H 6.039 0.495 6.532 1.00 . A A . 2 PRO HG2 1 1
14 854 1 1 2 PRO HG3 H 7.197 -0.714 5.958 1.00 . A A . 2 PRO HG3 1 1
14 855 1 1 2 PRO N N 8.278 2.257 5.582 1.00 . A A . 2 PRO N 1 1
14 856 1 1 2 PRO O O 5.677 4.011 4.016 1.00 . A A . 2 PRO O 1 1
14 857 1 1 3 GLY C C 4.755 5.446 5.829 1.00 . A A . 3 GLY C 1 1
14 858 1 1 3 GLY CA C 4.537 4.092 6.501 1.00 . A A . 3 GLY CA 1 1
14 859 1 1 3 GLY H H 5.969 2.550 6.755 1.00 . A A . 3 GLY H 1 1
14 860 1 1 3 GLY HA2 H 3.573 3.679 6.200 1.00 . A A . 3 GLY HA2 1 1
14 861 1 1 3 GLY HA3 H 4.554 4.221 7.573 1.00 . A A . 3 GLY HA3 1 1
14 862 1 1 3 GLY N N 5.602 3.184 6.105 1.00 . A A . 3 GLY N 1 1
14 863 1 1 3 GLY O O 3.826 6.026 5.266 1.00 . A A . 3 GLY O 1 1
14 864 1 1 4 CYS C C 5.547 7.406 3.971 1.00 . A A . 4 CYS C 1 1
14 865 1 1 4 CYS CA C 6.328 7.215 5.266 1.00 . A A . 4 CYS CA 1 1
14 866 1 1 4 CYS CB C 7.830 7.278 4.972 1.00 . A A . 4 CYS CB 1 1
14 867 1 1 4 CYS H H 6.706 5.437 6.341 1.00 . A A . 4 CYS H 1 1
14 868 1 1 4 CYS HA H 6.075 8.005 5.947 1.00 . A A . 4 CYS HA 1 1
14 869 1 1 4 CYS HB2 H 8.021 6.882 3.986 1.00 . A A . 4 CYS HB2 1 1
14 870 1 1 4 CYS HB3 H 8.162 8.305 5.017 1.00 . A A . 4 CYS HB3 1 1
14 871 1 1 4 CYS N N 5.997 5.940 5.883 1.00 . A A . 4 CYS N 1 1
14 872 1 1 4 CYS O O 5.259 6.443 3.261 1.00 . A A . 4 CYS O 1 1
14 873 1 1 4 CYS SG S 8.731 6.299 6.202 1.00 . A A . 4 CYS SG 1 1
14 874 1 1 5 LYS C C 5.312 8.690 1.219 1.00 . A A . 5 LYS C 1 1
14 875 1 1 5 LYS CA C 4.459 8.960 2.455 1.00 . A A . 5 LYS CA 1 1
14 876 1 1 5 LYS CB C 4.024 10.426 2.466 1.00 . A A . 5 LYS CB 1 1
14 877 1 1 5 LYS CD C 3.053 12.143 0.932 1.00 . A A . 5 LYS CD 1 1
14 878 1 1 5 LYS CE C 4.298 12.412 0.085 1.00 . A A . 5 LYS CE 1 1
14 879 1 1 5 LYS CG C 3.020 10.668 1.337 1.00 . A A . 5 LYS CG 1 1
14 880 1 1 5 LYS H H 5.464 9.383 4.273 1.00 . A A . 5 LYS H 1 1
14 881 1 1 5 LYS HA H 3.580 8.336 2.419 1.00 . A A . 5 LYS HA 1 1
14 882 1 1 5 LYS HB2 H 3.564 10.658 3.415 1.00 . A A . 5 LYS HB2 1 1
14 883 1 1 5 LYS HB3 H 4.886 11.059 2.319 1.00 . A A . 5 LYS HB3 1 1
14 884 1 1 5 LYS HD2 H 2.169 12.378 0.357 1.00 . A A . 5 LYS HD2 1 1
14 885 1 1 5 LYS HD3 H 3.082 12.760 1.817 1.00 . A A . 5 LYS HD3 1 1
14 886 1 1 5 LYS HE2 H 5.148 12.569 0.734 1.00 . A A . 5 LYS HE2 1 1
14 887 1 1 5 LYS HE3 H 4.488 11.565 -0.557 1.00 . A A . 5 LYS HE3 1 1
14 888 1 1 5 LYS HG2 H 3.278 10.053 0.488 1.00 . A A . 5 LYS HG2 1 1
14 889 1 1 5 LYS HG3 H 2.026 10.414 1.678 1.00 . A A . 5 LYS HG3 1 1
14 890 1 1 5 LYS HZ1 H 3.059 13.774 -0.885 1.00 . A A . 5 LYS HZ1 1 1
14 891 1 1 5 LYS HZ2 H 4.540 13.502 -1.673 1.00 . A A . 5 LYS HZ2 1 1
14 892 1 1 5 LYS HZ3 H 4.484 14.456 -0.267 1.00 . A A . 5 LYS HZ3 1 1
14 893 1 1 5 LYS N N 5.207 8.654 3.669 1.00 . A A . 5 LYS N 1 1
14 894 1 1 5 LYS NZ N 4.078 13.628 -0.748 1.00 . A A . 5 LYS NZ 1 1
14 895 1 1 5 LYS O O 6.366 9.292 1.108 1.00 . A A . 5 LYS O 1 1
14 896 1 1 5 LYS OXT O 4.898 7.882 0.403 1.00 . A A . 5 LYS OXT 1 1
15 897 1 1 1 DAL C C 9.136 2.987 5.761 1.00 . A A . 1 DAL C 1 1
15 898 1 1 1 DAL CA C 9.351 4.087 4.722 1.00 . A A . 1 DAL CA 1 1
15 899 1 1 1 DAL CB C 10.041 5.290 5.367 1.00 . A A . 1 DAL CB 1 1
15 900 1 1 1 DAL H2 H 11.190 3.492 3.947 1.00 . A A . 1 DAL H2 1 1
15 901 1 1 1 DAL H3 H 10.156 4.209 2.805 1.00 . A A . 1 DAL H3 1 1
15 902 1 1 1 DAL HA H 8.400 4.396 4.320 1.00 . A A . 1 DAL HA 1 1
15 903 1 1 1 DAL HB1 H 10.428 5.940 4.595 1.00 . A A . 1 DAL HB1 1 1
15 904 1 1 1 DAL HB2 H 10.855 4.946 5.989 1.00 . A A . 1 DAL HB2 1 1
15 905 1 1 1 DAL N N 10.205 3.564 3.618 1.00 . A A . 1 DAL N 1 1
15 906 1 1 1 DAL O O 9.908 2.862 6.712 1.00 . A A . 1 DAL O 1 1
15 907 1 1 2 PRO C C 6.092 3.369 4.716 1.00 . A A . 2 PRO C 1 1
15 908 1 1 2 PRO CA C 7.163 2.316 4.455 1.00 . A A . 2 PRO CA 1 1
15 909 1 1 2 PRO CB C 6.561 0.917 4.350 1.00 . A A . 2 PRO CB 1 1
15 910 1 1 2 PRO CD C 7.747 1.072 6.475 1.00 . A A . 2 PRO CD 1 1
15 911 1 1 2 PRO CG C 6.594 0.372 5.742 1.00 . A A . 2 PRO CG 1 1
15 912 1 1 2 PRO HA H 7.693 2.553 3.550 1.00 . A A . 2 PRO HA 1 1
15 913 1 1 2 PRO HB2 H 5.544 0.971 3.987 1.00 . A A . 2 PRO HB2 1 1
15 914 1 1 2 PRO HB3 H 7.162 0.297 3.699 1.00 . A A . 2 PRO HB3 1 1
15 915 1 1 2 PRO HD2 H 7.416 1.438 7.437 1.00 . A A . 2 PRO HD2 1 1
15 916 1 1 2 PRO HD3 H 8.584 0.402 6.591 1.00 . A A . 2 PRO HD3 1 1
15 917 1 1 2 PRO HG2 H 5.656 0.580 6.240 1.00 . A A . 2 PRO HG2 1 1
15 918 1 1 2 PRO HG3 H 6.773 -0.691 5.719 1.00 . A A . 2 PRO HG3 1 1
15 919 1 1 2 PRO N N 8.111 2.191 5.592 1.00 . A A . 2 PRO N 1 1
15 920 1 1 2 PRO O O 5.828 4.216 3.862 1.00 . A A . 2 PRO O 1 1
15 921 1 1 3 GLY C C 4.855 5.657 5.607 1.00 . A A . 3 GLY C 1 1
15 922 1 1 3 GLY CA C 4.471 4.318 6.231 1.00 . A A . 3 GLY CA 1 1
15 923 1 1 3 GLY H H 5.741 2.650 6.558 1.00 . A A . 3 GLY H 1 1
15 924 1 1 3 GLY HA2 H 3.506 3.990 5.844 1.00 . A A . 3 GLY HA2 1 1
15 925 1 1 3 GLY HA3 H 4.411 4.429 7.303 1.00 . A A . 3 GLY HA3 1 1
15 926 1 1 3 GLY N N 5.489 3.333 5.900 1.00 . A A . 3 GLY N 1 1
15 927 1 1 3 GLY O O 4.033 6.317 4.972 1.00 . A A . 3 GLY O 1 1
15 928 1 1 4 CYS C C 5.967 7.574 3.873 1.00 . A A . 4 CYS C 1 1
15 929 1 1 4 CYS CA C 6.618 7.295 5.225 1.00 . A A . 4 CYS CA 1 1
15 930 1 1 4 CYS CB C 8.139 7.220 5.058 1.00 . A A . 4 CYS CB 1 1
15 931 1 1 4 CYS H H 6.743 5.480 6.295 1.00 . A A . 4 CYS H 1 1
15 932 1 1 4 CYS HA H 6.382 8.095 5.901 1.00 . A A . 4 CYS HA 1 1
15 933 1 1 4 CYS HB2 H 8.375 6.780 4.100 1.00 . A A . 4 CYS HB2 1 1
15 934 1 1 4 CYS HB3 H 8.556 8.215 5.109 1.00 . A A . 4 CYS HB3 1 1
15 935 1 1 4 CYS N N 6.124 6.046 5.784 1.00 . A A . 4 CYS N 1 1
15 936 1 1 4 CYS O O 6.418 7.075 2.842 1.00 . A A . 4 CYS O 1 1
15 937 1 1 4 CYS SG S 8.846 6.201 6.380 1.00 . A A . 4 CYS SG 1 1
15 938 1 1 5 LYS C C 4.721 10.030 2.086 1.00 . A A . 5 LYS C 1 1
15 939 1 1 5 LYS CA C 4.202 8.712 2.654 1.00 . A A . 5 LYS CA 1 1
15 940 1 1 5 LYS CB C 2.699 8.824 2.925 1.00 . A A . 5 LYS CB 1 1
15 941 1 1 5 LYS CD C 0.610 7.453 2.926 1.00 . A A . 5 LYS CD 1 1
15 942 1 1 5 LYS CE C 0.712 6.294 3.920 1.00 . A A . 5 LYS CE 1 1
15 943 1 1 5 LYS CG C 1.965 7.664 2.248 1.00 . A A . 5 LYS CG 1 1
15 944 1 1 5 LYS H H 4.592 8.743 4.737 1.00 . A A . 5 LYS H 1 1
15 945 1 1 5 LYS HA H 4.370 7.929 1.929 1.00 . A A . 5 LYS HA 1 1
15 946 1 1 5 LYS HB2 H 2.523 8.789 3.991 1.00 . A A . 5 LYS HB2 1 1
15 947 1 1 5 LYS HB3 H 2.331 9.760 2.530 1.00 . A A . 5 LYS HB3 1 1
15 948 1 1 5 LYS HD2 H 0.325 8.354 3.450 1.00 . A A . 5 LYS HD2 1 1
15 949 1 1 5 LYS HD3 H -0.134 7.219 2.180 1.00 . A A . 5 LYS HD3 1 1
15 950 1 1 5 LYS HE2 H 0.979 5.390 3.392 1.00 . A A . 5 LYS HE2 1 1
15 951 1 1 5 LYS HE3 H 1.469 6.517 4.656 1.00 . A A . 5 LYS HE3 1 1
15 952 1 1 5 LYS HG2 H 1.813 7.895 1.203 1.00 . A A . 5 LYS HG2 1 1
15 953 1 1 5 LYS HG3 H 2.553 6.764 2.337 1.00 . A A . 5 LYS HG3 1 1
15 954 1 1 5 LYS HZ1 H -0.568 6.532 5.545 1.00 . A A . 5 LYS HZ1 1 1
15 955 1 1 5 LYS HZ2 H -0.802 5.086 4.684 1.00 . A A . 5 LYS HZ2 1 1
15 956 1 1 5 LYS HZ3 H -1.350 6.559 4.040 1.00 . A A . 5 LYS HZ3 1 1
15 957 1 1 5 LYS N N 4.906 8.374 3.886 1.00 . A A . 5 LYS N 1 1
15 958 1 1 5 LYS NZ N -0.601 6.104 4.599 1.00 . A A . 5 LYS NZ 1 1
15 959 1 1 5 LYS O O 5.239 10.013 0.981 1.00 . A A . 5 LYS O 1 1
15 960 1 1 5 LYS OXT O 4.592 11.036 2.764 1.00 . A A . 5 LYS OXT 1 1
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