NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
380446 |
1ih9   |
4993 | cing | 3-converted-DOCR | STAR | entry | full | 122 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1ih9
# This DOCR archive file contains, for PDB entry <1ih9>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process, minor modifications could
# have occurred to the NMR restraints information, or data could have been lost
# because of parsing or conversion errors. The PDB file remains the
# authoritative reference for the atomic coordinates and the originally deposited
# restraints files remain the primary reference for these data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_1ih9
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1ih9"
_Entry.NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 1ih9"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1ih9
_Assembly.ID 1
_Assembly.Name 1ih9
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1840.2101
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 "Zervamicin IIB" 1 $Zervamicin_IIB A . no . . . . . . rr_1ih9 1
stop_
save_
save_Zervamicin_IIB
_Entity.Sf_category entity
_Entity.Sf_framecode Zervamicin_IIB
_Entity.Entry_ID rr_1ih9
_Entity.ID 1
_Entity.Name Zervamicin_IIB
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code XWIQXITALAPQAPAPX
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Number_of_monomers 17
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 1840.2101
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . ACE . rr_1ih9 1
2 . TRP . rr_1ih9 1
3 . ILE . rr_1ih9 1
4 . GLN . rr_1ih9 1
5 . . . rr_1ih9 1
6 . ILE . rr_1ih9 1
7 . THR . rr_1ih9 1
8 . ABA . rr_1ih9 1
9 . LEU . rr_1ih9 1
10 . ABA . rr_1ih9 1
11 . HYP . rr_1ih9 1
12 . GLN . rr_1ih9 1
13 . ABA . rr_1ih9 1
14 . HYP . rr_1ih9 1
15 . ABA . rr_1ih9 1
16 . PRO . rr_1ih9 1
17 . PHL . rr_1ih9 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. ACE 1 1 rr_1ih9 1
. TRP 2 2 rr_1ih9 1
. ILE 3 3 rr_1ih9 1
. GLN 4 4 rr_1ih9 1
. . 5 5 rr_1ih9 1
. ILE 6 6 rr_1ih9 1
. THR 7 7 rr_1ih9 1
. ABA 8 8 rr_1ih9 1
. LEU 9 9 rr_1ih9 1
. ABA 10 10 rr_1ih9 1
. HYP 11 11 rr_1ih9 1
. GLN 12 12 rr_1ih9 1
. ABA 13 13 rr_1ih9 1
. HYP 14 14 rr_1ih9 1
. ABA 15 15 rr_1ih9 1
. PRO 16 16 rr_1ih9 1
. PHL 17 17 rr_1ih9 1
stop_
save_
save_chem_comp_ACE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ACE
_Chem_comp.Entry_ID rr_1ih9
_Chem_comp.ID ACE
_Chem_comp.Name "ACETYL GROUP"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code ACE
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C2 H3 O"
_Chem_comp.Formula_weight 43.0451
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
acetaldehyde name rr_1ih9 ACE
stop_
save_
save_chem_comp_DIV
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DIV
_Chem_comp.Entry_ID rr_1ih9
_Chem_comp.ID 1
_Chem_comp.Name Div
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C5 H9 N O"
_Chem_comp.Formula_weight 99.1322
save_
save_chem_comp_ABA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ABA
_Chem_comp.Entry_ID rr_1ih9
_Chem_comp.ID ABA
_Chem_comp.Name "ALPHA-AMINOBUTYRIC ACID"
_Chem_comp.Type "L-peptide linking"
_Chem_comp.PDB_code ABA
_Chem_comp.Std_deriv_one_letter_code A
_Chem_comp.Std_deriv_three_letter_code Ala
_Chem_comp.Std_deriv_PDB_code ALA
_Chem_comp.Std_deriv_chem_comp_name ALANINE
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C4 H7 N O"
_Chem_comp.Formula_weight 85.1054
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
"(2R)-2-aminobutanoic acid" name rr_1ih9 ABA
stop_
save_
save_chem_comp_HYP
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_HYP
_Chem_comp.Entry_ID rr_1ih9
_Chem_comp.ID HYP
_Chem_comp.Name 4-HYDROXYPROLINE
_Chem_comp.Type "L-peptide linking"
_Chem_comp.PDB_code HYP
_Chem_comp.Std_deriv_one_letter_code P
_Chem_comp.Std_deriv_three_letter_code Pro
_Chem_comp.Std_deriv_PDB_code PRO
_Chem_comp.Std_deriv_chem_comp_name PROLINE
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C5 H7 N O2"
_Chem_comp.Formula_weight 113.1158
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
(4R)-4-hydroxy-L-proline name rr_1ih9 HYP
stop_
save_
save_chem_comp_PHL
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_PHL
_Chem_comp.Entry_ID rr_1ih9
_Chem_comp.ID PHL
_Chem_comp.Name L-PHENYLALANINOL
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code PHL
_Chem_comp.Std_deriv_three_letter_code Phe
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic yes
_Chem_comp.Formula "C9 H13 N O"
_Chem_comp.Formula_weight 151.2078
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
(2S)-2-amino-3-phenylpropan-1-ol name rr_1ih9 PHL
stop_
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1ih9
_Conformer_stat_list.ID 1
_Conformer_stat_list.Conf_family_coord_set_ID 1
_Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures
_Conformer_stat_list.Conformer_submitted_total_num 20
save_
save_ensemble_of_conformers
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Sf_framecode ensemble_of_conformers
_Conformer_family_coord_set.Entry_ID rr_1ih9
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Software_ID
_Conformer_family_refinement.Software_label
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . . . rr_1ih9 1
stop_
loop_
_Conformer_family_software.Software_ID
_Conformer_family_software.Software_label
_Conformer_family_software.Method_ID
_Conformer_family_software.Method_label
_Conformer_family_software.Entry_ID
_Conformer_family_software.Conformer_family_coord_set_ID
. . . . rr_1ih9 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
. 1 . 1 . 1 1 1 ACE C C -11.573 -1.527 -1.101 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 1 . 2 . 1 1 1 ACE CH3 C -12.524 -2.725 -1.115 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 1 . 3 . 1 1 1 ACE H1 H -13.576 -2.423 -1.275 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 1 . 4 . 1 1 1 ACE H2 H -12.258 -3.435 -1.921 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 1 . 5 . 1 1 1 ACE H3 H -12.473 -3.283 -0.160 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 1 . 6 . 1 1 1 ACE O O -10.493 -1.584 -1.691 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 1 . 7 . 1 1 2 TRP C C -10.006 0.393 1.002 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 1 . 8 . 1 1 2 TRP CA C -11.099 0.700 -0.074 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 1 . 9 . 1 1 2 TRP CB C -12.000 1.911 0.298 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 1 . 10 . 1 1 2 TRP CD1 C -10.915 4.176 -0.509 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 1 . 11 . 1 1 2 TRP CD2 C -10.855 3.826 1.688 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 1 . 12 . 1 1 2 TRP CE2 C -10.244 5.070 1.389 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 1 . 13 . 1 1 2 TRP CE3 C -10.949 3.378 3.030 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 1 . 14 . 1 1 2 TRP CG C -11.276 3.255 0.498 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 1 . 15 . 1 1 2 TRP CH2 C -9.810 5.409 3.745 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 1 . 16 . 1 1 2 TRP CZ2 C -9.716 5.872 2.432 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 1 . 17 . 1 1 2 TRP CZ3 C -10.420 4.182 4.040 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 1 . 18 . 1 1 2 TRP H H -12.910 -0.566 0.037 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 1 . 19 . 1 1 2 TRP HA H -10.567 0.974 -1.008 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 1 . 20 . 1 1 2 TRP HB2 H -12.761 2.050 -0.492 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 1 . 21 . 1 1 2 TRP HB3 H -12.588 1.675 1.207 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 1 . 22 . 1 1 2 TRP HD1 H -11.115 4.042 -1.562 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 1 . 23 . 1 1 2 TRP HE1 H -9.908 6.129 -0.479 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 1 . 24 . 1 1 2 TRP HE3 H -11.420 2.436 3.272 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 1 . 25 . 1 1 2 TRP HH2 H -9.406 6.004 4.549 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 1 . 26 . 1 1 2 TRP HZ2 H -9.239 6.817 2.219 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 1 . 27 . 1 1 2 TRP HZ3 H -10.485 3.852 5.067 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 1 . 28 . 1 1 2 TRP N N -11.978 -0.469 -0.380 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 1 . 29 . 1 1 2 TRP NE1 N -10.268 5.309 0.023 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 1 . 30 . 1 1 2 TRP O O -8.849 0.773 0.804 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 1 . 31 . 1 1 3 ILE C C -8.457 -2.041 2.371 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 1 . 32 . 1 1 3 ILE CA C -9.347 -0.933 3.014 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 1 . 33 . 1 1 3 ILE CB C -9.939 -1.410 4.392 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 1 . 34 . 1 1 3 ILE CD1 C -11.229 -3.425 5.447 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 1 . 35 . 1 1 3 ILE CG1 C -11.120 -2.428 4.282 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 1 . 36 . 1 1 3 ILE CG2 C -10.309 -0.223 5.310 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 1 . 37 . 1 1 3 ILE H H -11.348 -0.566 2.126 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 1 . 38 . 1 1 3 ILE HA H -8.613 -0.134 3.225 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 1 . 39 . 1 1 3 ILE HB H -9.109 -1.925 4.916 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 1 . 40 . 1 1 3 ILE HD11 H -11.343 -2.920 6.424 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 1 . 41 . 1 1 3 ILE HD12 H -12.103 -4.090 5.317 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 1 . 42 . 1 1 3 ILE HD13 H -10.334 -4.074 5.507 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 1 . 43 . 1 1 3 ILE HG12 H -12.080 -1.889 4.163 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 1 . 44 . 1 1 3 ILE HG13 H -11.027 -3.026 3.358 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 1 . 45 . 1 1 3 ILE HG21 H -11.132 0.386 4.892 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 1 . 46 . 1 1 3 ILE HG22 H -10.631 -0.564 6.312 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 1 . 47 . 1 1 3 ILE HG23 H -9.449 0.455 5.468 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 1 . 48 . 1 1 3 ILE N N -10.355 -0.308 2.102 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 1 . 49 . 1 1 3 ILE O O -7.270 -2.097 2.695 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 1 . 50 . 1 1 4 GLN C C -7.127 -3.149 -0.282 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 1 . 51 . 1 1 4 GLN CA C -8.172 -3.828 0.652 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 1 . 52 . 1 1 4 GLN CB C -9.113 -4.781 -0.139 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 1 . 53 . 1 1 4 GLN CD C -8.572 -7.084 0.989 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 1 . 54 . 1 1 4 GLN CG C -8.596 -6.232 -0.304 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 1 . 55 . 1 1 4 GLN H H -9.978 -2.714 1.253 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 1 . 56 . 1 1 4 GLN HA H -7.593 -4.435 1.378 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 1 . 57 . 1 1 4 GLN HB2 H -10.113 -4.849 0.335 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 1 . 58 . 1 1 4 GLN HB3 H -9.333 -4.362 -1.141 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 1 . 59 . 1 1 4 GLN HE21 H -7.605 -8.539 0.010 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 1 . 60 . 1 1 4 GLN HE22 H -7.974 -8.821 1.784 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 1 . 61 . 1 1 4 GLN HG2 H -9.238 -6.750 -1.040 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 1 . 62 . 1 1 4 GLN HG3 H -7.589 -6.212 -0.762 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 1 . 63 . 1 1 4 GLN N N -8.990 -2.883 1.462 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 1 . 64 . 1 1 4 GLN NE2 N -7.980 -8.263 0.923 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 1 . 65 . 1 1 4 GLN O O -5.998 -3.635 -0.355 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 1 . 66 . 1 1 4 GLN OE1 O -9.083 -6.712 2.047 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 1 . 67 . 1 1 5 . C C -5.413 -0.569 -0.996 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 1 . 68 . 1 1 5 . CA C -6.614 -1.201 -1.815 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 1 . 69 . 1 1 5 . CB1 C -6.129 -2.067 -3.025 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 1 . 70 . 1 1 5 . CB2 C -7.491 -0.025 -2.348 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 1 . 71 . 1 1 5 . CG1 C -7.117 -2.522 -4.119 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 1 . 72 . 1 1 5 . H2 H -8.416 -1.682 -0.715 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 1 . 73 . 1 1 5 . HB11 H -5.333 -1.496 -3.485 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 1 . 74 . 1 1 5 . HB12 H -5.606 -2.971 -2.671 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 1 . 75 . 1 1 5 . HB21 H -7.894 0.609 -1.538 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 1 . 76 . 1 1 5 . HB22 H -6.917 0.644 -3.017 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 1 . 77 . 1 1 5 . HB23 H -8.371 -0.369 -2.922 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 1 . 78 . 1 1 5 . HG11 H -7.563 -1.668 -4.659 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 1 . 79 . 1 1 5 . HG12 H -6.603 -3.143 -4.876 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 1 . 80 . 1 1 5 . HG13 H -7.944 -3.124 -3.700 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 1 . 81 . 1 1 5 . N N -7.501 -2.041 -0.969 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 1 . 82 . 1 1 5 . O O -4.248 -0.724 -1.377 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 1 . 83 . 1 1 6 ILE C C -3.793 -0.530 1.763 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 1 . 84 . 1 1 6 ILE CA C -4.618 0.621 1.075 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 1 . 85 . 1 1 6 ILE CB C -5.190 1.702 2.071 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 1 . 86 . 1 1 6 ILE CD1 C -6.710 3.850 2.173 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 1 . 87 . 1 1 6 ILE CG1 C -5.814 2.930 1.330 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 1 . 88 . 1 1 6 ILE CG2 C -4.134 2.224 3.090 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 1 . 89 . 1 1 6 ILE H H -6.679 0.185 0.377 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 1 . 90 . 1 1 6 ILE HA H -3.885 1.158 0.439 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 1 . 91 . 1 1 6 ILE HB H -5.989 1.213 2.662 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 1 . 92 . 1 1 6 ILE HD11 H -6.164 4.338 2.999 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 1 . 93 . 1 1 6 ILE HD12 H -7.129 4.660 1.550 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 1 . 94 . 1 1 6 ILE HD13 H -7.562 3.301 2.611 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 1 . 95 . 1 1 6 ILE HG12 H -5.017 3.531 0.853 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 1 . 96 . 1 1 6 ILE HG13 H -6.442 2.589 0.487 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 1 . 97 . 1 1 6 ILE HG21 H -3.245 2.654 2.589 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 1 . 98 . 1 1 6 ILE HG22 H -4.539 3.001 3.763 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 1 . 99 . 1 1 6 ILE HG23 H -3.775 1.419 3.757 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 1 . 100 . 1 1 6 ILE N N -5.682 0.110 0.148 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 1 . 101 . 1 1 6 ILE O O -2.627 -0.291 2.078 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 1 . 102 . 1 1 7 THR C C -2.561 -3.471 1.311 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 1 . 103 . 1 1 7 THR CA C -3.563 -2.950 2.383 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 1 . 104 . 1 1 7 THR CB C -4.514 -4.030 2.980 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 1 . 105 . 1 1 7 THR CG2 C -3.832 -5.320 3.477 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 1 . 106 . 1 1 7 THR H H -5.318 -1.825 1.662 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 1 . 107 . 1 1 7 THR HA H -2.929 -2.618 3.214 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 1 . 108 . 1 1 7 THR HB H -5.257 -4.319 2.214 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 1 . 109 . 1 1 7 THR HG1 H -5.576 -2.651 3.793 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 1 . 110 . 1 1 7 THR HG21 H -4.562 -5.982 3.980 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 1 . 111 . 1 1 7 THR HG22 H -3.394 -5.899 2.642 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 1 . 112 . 1 1 7 THR HG23 H -3.022 -5.110 4.201 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 1 . 113 . 1 1 7 THR N N -4.339 -1.752 1.955 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 1 . 114 . 1 1 7 THR O O -1.393 -3.633 1.663 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 1 . 115 . 1 1 7 THR OG1 O -5.210 -3.485 4.096 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 1 . 116 . 1 1 8 ABA C C -0.872 -2.915 -1.301 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 1 . 117 . 1 1 8 ABA CA C -2.014 -3.998 -1.094 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 1 . 118 . 1 1 8 ABA N N -2.967 -3.701 0.040 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 1 . 119 . 1 1 8 ABA O O 0.289 -3.239 -1.575 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 1 . 120 . 1 1 9 LEU C C 0.537 -0.164 0.063 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 1 . 121 . 1 1 9 LEU CA C -0.276 -0.479 -1.240 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 1 . 122 . 1 1 9 LEU CB C -1.083 0.742 -1.767 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 1 . 123 . 1 1 9 LEU CD1 C -2.692 1.524 -3.632 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 1 . 124 . 1 1 9 LEU CD2 C -0.249 1.131 -4.161 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 1 . 125 . 1 1 9 LEU CG C -1.441 0.694 -3.286 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 1 . 126 . 1 1 9 LEU H H -2.200 -1.483 -0.870 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 1 . 127 . 1 1 9 LEU HA H 0.486 -0.695 -2.010 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 1 . 128 . 1 1 9 LEU HB2 H -1.999 0.858 -1.156 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 1 . 129 . 1 1 9 LEU HB3 H -0.518 1.670 -1.569 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 1 . 130 . 1 1 9 LEU HD11 H -2.575 2.593 -3.372 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 1 . 131 . 1 1 9 LEU HD12 H -2.927 1.470 -4.712 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 1 . 132 . 1 1 9 LEU HD13 H -3.590 1.153 -3.102 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 1 . 133 . 1 1 9 LEU HD21 H 0.651 0.521 -3.967 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 1 . 134 . 1 1 9 LEU HD22 H -0.470 1.033 -5.242 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 1 . 135 . 1 1 9 LEU HD23 H 0.030 2.185 -3.974 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 1 . 136 . 1 1 9 LEU HG H -1.690 -0.346 -3.559 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 1 . 137 . 1 1 9 LEU N N -1.225 -1.624 -1.159 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 1 . 138 . 1 1 9 LEU O O 1.511 0.588 -0.040 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 1 . 139 . 1 1 10 ABA C C 2.444 -1.178 2.392 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 1 . 140 . 1 1 10 ABA CA C 0.968 -0.602 2.532 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 1 . 141 . 1 1 10 ABA N N 0.188 -0.723 1.254 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 1 . 142 . 1 1 10 ABA O O 3.373 -0.412 2.657 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 1 . 143 . 1 1 11 HYP C C 4.739 -2.126 0.228 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 1 . 144 . 1 1 11 HYP CA C 4.136 -2.824 1.495 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 1 . 145 . 1 1 11 HYP CB C 4.025 -4.352 1.330 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 1 . 146 . 1 1 11 HYP CD C 1.804 -3.543 1.766 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 1 . 147 . 1 1 11 HYP CG C 2.562 -4.616 0.981 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 1 . 148 . 1 1 11 HYP HA H 4.834 -2.632 2.329 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 1 . 149 . 1 1 11 HYP HB2 H 4.714 -4.771 0.574 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 1 . 150 . 1 1 11 HYP HB3 H 4.278 -4.855 2.282 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 1 . 151 . 1 1 11 HYP HD1 H 1.296 -5.822 1.787 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 1 . 152 . 1 1 11 HYP HD22 H 0.909 -3.245 1.208 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 1 . 153 . 1 1 11 HYP HD23 H 1.500 -3.921 2.763 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 1 . 154 . 1 1 11 HYP HG H 2.400 -4.480 -0.107 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 1 . 155 . 1 1 11 HYP N N 2.762 -2.436 1.926 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 1 . 156 . 1 1 11 HYP O O 5.939 -2.307 -0.009 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 1 . 157 . 1 1 11 HYP OD1 O 2.158 -5.920 1.375 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 1 . 158 . 1 1 12 GLN C C 4.812 1.082 -1.093 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 1 . 159 . 1 1 12 GLN CA C 4.546 -0.384 -1.560 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 1 . 160 . 1 1 12 GLN CB C 3.648 -0.391 -2.828 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 1 . 161 . 1 1 12 GLN CD C 2.673 -1.699 -4.815 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 1 . 162 . 1 1 12 GLN CG C 3.342 -1.778 -3.429 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 1 . 163 . 1 1 12 GLN H H 3.033 -1.116 -0.194 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 1 . 164 . 1 1 12 GLN HA H 5.543 -0.756 -1.842 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 1 . 165 . 1 1 12 GLN HB2 H 2.693 0.127 -2.620 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 1 . 166 . 1 1 12 GLN HB3 H 4.143 0.226 -3.596 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 1 . 167 . 1 1 12 GLN HE21 H 1.082 -2.720 -4.147 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 1 . 168 . 1 1 12 GLN HE22 H 1.084 -2.183 -5.911 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 1 . 169 . 1 1 12 GLN HG2 H 4.280 -2.361 -3.500 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 1 . 170 . 1 1 12 GLN HG3 H 2.708 -2.322 -2.694 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 1 . 171 . 1 1 12 GLN N N 3.982 -1.295 -0.524 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 1 . 172 . 1 1 12 GLN NE2 N 1.484 -2.252 -4.969 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 1 . 173 . 1 1 12 GLN O O 5.084 1.919 -1.955 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 1 . 174 . 1 1 12 GLN OE1 O 3.220 -1.149 -5.768 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 1 . 175 . 1 1 13 ABA C C 7.099 1.932 1.113 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 1 . 176 . 1 1 13 ABA CA C 5.604 2.469 0.885 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 1 . 177 . 1 1 13 ABA N N 4.801 1.388 0.227 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 1 . 178 . 1 1 13 ABA O O 8.029 2.488 0.506 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 1 . 179 . 1 1 14 HYP C C 9.525 -0.269 0.815 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 1 . 180 . 1 1 14 HYP CA C 8.811 0.338 2.060 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 1 . 181 . 1 1 14 HYP CB C 8.722 -0.679 3.217 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 1 . 182 . 1 1 14 HYP CD C 6.461 0.018 2.624 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 1 . 183 . 1 1 14 HYP CG C 7.246 -1.025 3.418 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 1 . 184 . 1 1 14 HYP HA H 9.434 1.180 2.418 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 1 . 185 . 1 1 14 HYP HB2 H 9.302 -1.601 3.014 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 1 . 186 . 1 1 14 HYP HB3 H 9.151 -0.241 4.140 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 1 . 187 . 1 1 14 HYP HD1 H 7.105 -0.087 5.088 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 1 . 188 . 1 1 14 HYP HD22 H 5.792 -0.479 1.915 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 1 . 189 . 1 1 14 HYP HD23 H 5.835 0.618 3.285 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 1 . 190 . 1 1 14 HYP HG H 7.034 -2.038 3.029 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 1 . 191 . 1 1 14 HYP N N 7.426 0.846 1.896 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 1 . 192 . 1 1 14 HYP O O 10.732 -0.048 0.701 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 1 . 193 . 1 1 14 HYP OD1 O 6.897 -0.978 4.797 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 1 . 194 . 1 1 15 ABA C C 10.131 -0.576 -2.270 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 1 . 195 . 1 1 15 ABA CA C 9.471 -1.647 -1.299 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 1 . 196 . 1 1 15 ABA N N 8.845 -1.037 -0.080 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 1 . 197 . 1 1 15 ABA O O 11.300 -0.770 -2.631 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 1 . 198 . 1 1 16 PRO C C 11.213 2.518 -2.272 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 1 . 199 . 1 1 16 PRO CA C 10.280 1.734 -3.238 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 1 . 200 . 1 1 16 PRO CB C 9.191 2.609 -3.885 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 1 . 201 . 1 1 16 PRO CD C 8.102 0.922 -2.469 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 1 . 202 . 1 1 16 PRO CG C 7.915 2.309 -3.102 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 1 . 203 . 1 1 16 PRO HA H 10.937 1.352 -4.023 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 1 . 204 . 1 1 16 PRO HB2 H 9.432 3.688 -3.880 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 1 . 205 . 1 1 16 PRO HB3 H 9.053 2.331 -4.947 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 1 . 206 . 1 1 16 PRO HD2 H 7.851 0.970 -1.401 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 1 . 207 . 1 1 16 PRO HD3 H 7.433 0.157 -2.892 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 1 . 208 . 1 1 16 PRO HG2 H 7.789 3.066 -2.307 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 1 . 209 . 1 1 16 PRO HG3 H 7.017 2.369 -3.742 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 1 . 210 . 1 1 16 PRO N N 9.520 0.587 -2.677 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 1 . 211 . 1 1 16 PRO O O 12.200 3.082 -2.750 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 1 . 212 . 1 1 17 PHL C C 12.084 2.795 1.234 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 1 . 213 . 1 1 17 PHL CA C 11.585 3.523 -0.032 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 1 . 214 . 1 1 17 PHL CB C 10.622 4.686 0.331 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 1 . 215 . 1 1 17 PHL CD1 C 8.761 5.654 -1.119 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 1 . 216 . 1 1 17 PHL CD2 C 11.040 6.223 -1.679 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 1 . 217 . 1 1 17 PHL CE1 C 8.310 6.382 -2.216 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 1 . 218 . 1 1 17 PHL CE2 C 10.588 6.948 -2.778 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 1 . 219 . 1 1 17 PHL CG C 10.129 5.565 -0.842 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 1 . 220 . 1 1 17 PHL CZ C 9.223 7.032 -3.042 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 1 . 221 . 1 1 17 PHL H2 H 10.006 2.120 -0.730 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 1 . 222 . 1 1 17 PHL HA H 12.485 3.971 -0.500 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 1 . 223 . 1 1 17 PHL HB2 H 9.764 4.247 0.873 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 1 . 224 . 1 1 17 PHL HB3 H 11.118 5.348 1.066 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 1 . 225 . 1 1 17 PHL HC1 H 11.251 2.314 1.773 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 1 . 226 . 1 1 17 PHL HC2 H 12.524 3.523 1.944 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 1 . 227 . 1 1 17 PHL HD1 H 8.045 5.141 -0.496 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 1 . 228 . 1 1 17 PHL HD2 H 12.103 6.140 -1.503 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 1 . 229 . 1 1 17 PHL HE1 H 7.253 6.435 -2.429 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 1 . 230 . 1 1 17 PHL HE2 H 11.295 7.438 -3.429 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 1 . 231 . 1 1 17 PHL HO H 13.390 1.489 1.761 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 1 . 232 . 1 1 17 PHL HZ H 8.873 7.599 -3.892 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 1 . 233 . 1 1 17 PHL N N 10.896 2.589 -0.965 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 1 . 234 . 1 1 17 PHL O O 13.074 1.825 0.919 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
. 2 . 235 . 1 1 1 ACE C C -11.744 -1.423 -1.037 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 2 . 236 . 1 1 1 ACE CH3 C -12.941 -2.359 -1.219 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 2 . 237 . 1 1 1 ACE H1 H -13.910 -1.824 -1.236 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 2 . 238 . 1 1 1 ACE H2 H -12.860 -2.919 -2.169 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 2 . 239 . 1 1 1 ACE H3 H -12.985 -3.102 -0.402 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 2 . 240 . 1 1 1 ACE O O -10.626 -1.764 -1.433 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 2 . 241 . 1 1 2 TRP C C -9.936 0.255 1.106 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 2 . 242 . 1 1 2 TRP CA C -10.891 0.696 -0.046 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 2 . 243 . 1 1 2 TRP CB C -11.454 2.119 0.233 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 2 . 244 . 1 1 2 TRP CD1 C -13.212 3.284 -1.332 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 2 . 245 . 1 1 2 TRP CD2 C -11.096 3.448 -2.010 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 2 . 246 . 1 1 2 TRP CE2 C -11.940 4.139 -2.916 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 2 . 247 . 1 1 2 TRP CE3 C -9.691 3.418 -2.218 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 2 . 248 . 1 1 2 TRP CG C -11.892 2.906 -1.011 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 2 . 249 . 1 1 2 TRP CH2 C -10.003 4.766 -4.223 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 2 . 250 . 1 1 2 TRP CZ2 C -11.385 4.811 -4.032 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 2 . 251 . 1 1 2 TRP CZ3 C -9.169 4.080 -3.331 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 2 . 252 . 1 1 2 TRP H H -12.950 -0.134 -0.084 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 2 . 253 . 1 1 2 TRP HA H -10.242 0.788 -0.937 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 2 . 254 . 1 1 2 TRP HB2 H -12.277 2.070 0.974 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 2 . 255 . 1 1 2 TRP HB3 H -10.684 2.739 0.732 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 2 . 256 . 1 1 2 TRP HD1 H -14.080 3.041 -0.736 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 2 . 257 . 1 1 2 TRP HE1 H -14.088 4.463 -2.962 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 2 . 258 . 1 1 2 TRP HE3 H -9.033 2.898 -1.536 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 2 . 259 . 1 1 2 TRP HH2 H -9.568 5.273 -5.073 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 2 . 260 . 1 1 2 TRP HZ2 H -12.014 5.355 -4.721 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 2 . 261 . 1 1 2 TRP HZ3 H -8.103 4.066 -3.506 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 2 . 262 . 1 1 2 TRP N N -11.983 -0.264 -0.401 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 2 . 263 . 1 1 2 TRP NE1 N -13.263 4.047 -2.514 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 2 . 264 . 1 1 2 TRP O O -8.796 0.729 1.124 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 2 . 265 . 1 1 3 ILE C C -8.486 -2.279 2.513 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 2 . 266 . 1 1 3 ILE CA C -9.441 -1.190 3.088 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 2 . 267 . 1 1 3 ILE CB C -10.175 -1.628 4.416 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 2 . 268 . 1 1 3 ILE CD1 C -12.608 -0.644 4.457 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 2 . 269 . 1 1 3 ILE CG1 C -11.180 -0.594 5.026 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 2 . 270 . 1 1 3 ILE CG2 C -9.164 -2.000 5.536 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 2 . 271 . 1 1 3 ILE H H -11.312 -0.959 1.925 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 2 . 272 . 1 1 3 ILE HA H -8.752 -0.365 3.345 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 2 . 273 . 1 1 3 ILE HB H -10.740 -2.556 4.199 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 2 . 274 . 1 1 3 ILE HD11 H -13.053 -1.651 4.563 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 2 . 275 . 1 1 3 ILE HD12 H -13.269 0.060 4.994 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 2 . 276 . 1 1 3 ILE HD13 H -12.649 -0.371 3.388 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 2 . 277 . 1 1 3 ILE HG12 H -11.295 -0.752 6.115 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 2 . 278 . 1 1 3 ILE HG13 H -10.776 0.431 4.938 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 2 . 279 . 1 1 3 ILE HG21 H -8.541 -1.137 5.835 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 2 . 280 . 1 1 3 ILE HG22 H -9.673 -2.371 6.446 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 2 . 281 . 1 1 3 ILE HG23 H -8.476 -2.808 5.226 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 2 . 282 . 1 1 3 ILE N N -10.346 -0.630 2.041 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 2 . 283 . 1 1 3 ILE O O -7.286 -2.184 2.780 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 2 . 284 . 1 1 4 GLN C C -7.073 -3.363 -0.063 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 2 . 285 . 1 1 4 GLN CA C -8.053 -4.111 0.887 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 2 . 286 . 1 1 4 GLN CB C -8.817 -5.240 0.151 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 2 . 287 . 1 1 4 GLN CD C -10.451 -6.096 -1.677 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 2 . 288 . 1 1 4 GLN CG C -9.872 -4.880 -0.924 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 2 . 289 . 1 1 4 GLN H H -9.962 -3.191 1.513 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 2 . 290 . 1 1 4 GLN HA H -7.398 -4.633 1.614 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 2 . 291 . 1 1 4 GLN HB2 H -8.061 -5.905 -0.312 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 2 . 292 . 1 1 4 GLN HB3 H -9.300 -5.885 0.908 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 2 . 293 . 1 1 4 GLN HE21 H -12.096 -5.044 -2.132 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 2 . 294 . 1 1 4 GLN HE22 H -12.027 -6.786 -2.703 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 2 . 295 . 1 1 4 GLN HG2 H -10.686 -4.304 -0.443 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 2 . 296 . 1 1 4 GLN HG3 H -9.428 -4.199 -1.672 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 2 . 297 . 1 1 4 GLN N N -8.958 -3.251 1.706 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 2 . 298 . 1 1 4 GLN NE2 N -11.648 -5.962 -2.223 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 2 . 299 . 1 1 4 GLN O O -5.911 -3.763 -0.147 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 2 . 300 . 1 1 4 GLN OE1 O -9.834 -7.156 -1.804 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 2 . 301 . 1 1 5 . C C -5.516 -0.719 -0.871 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 2 . 302 . 1 1 5 . CA C -6.723 -1.415 -1.635 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 2 . 303 . 1 1 5 . CB1 C -6.226 -2.280 -2.842 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 2 . 304 . 1 1 5 . CB2 C -7.667 -0.295 -2.165 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 2 . 305 . 1 1 5 . CG1 C -7.217 -2.827 -3.891 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 2 . 306 . 1 1 5 . H2 H -8.512 -2.078 -0.542 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 2 . 307 . 1 1 5 . HB11 H -5.479 -1.678 -3.344 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 2 . 308 . 1 1 5 . HB12 H -5.637 -3.141 -2.484 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 2 . 309 . 1 1 5 . HB21 H -8.065 0.341 -1.355 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 2 . 310 . 1 1 5 . HB22 H -7.151 0.385 -2.868 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 2 . 311 . 1 1 5 . HB23 H -8.554 -0.686 -2.700 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 2 . 312 . 1 1 5 . HG11 H -7.755 -2.023 -4.426 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 2 . 313 . 1 1 5 . HG12 H -6.677 -3.415 -4.657 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 2 . 314 . 1 1 5 . HG13 H -7.971 -3.487 -3.431 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 2 . 315 . 1 1 5 . N N -7.536 -2.288 -0.742 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 2 . 316 . 1 1 5 . O O -4.350 -0.891 -1.243 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 2 . 317 . 1 1 6 ILE C C -3.828 -0.442 1.841 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 2 . 318 . 1 1 6 ILE CA C -4.736 0.621 1.119 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 2 . 319 . 1 1 6 ILE CB C -5.396 1.679 2.087 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 2 . 320 . 1 1 6 ILE CD1 C -5.324 3.759 0.435 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 2 . 321 . 1 1 6 ILE CG1 C -6.144 2.852 1.370 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 2 . 322 . 1 1 6 ILE CG2 C -4.442 2.288 3.148 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 2 . 323 . 1 1 6 ILE H H -6.784 0.102 0.455 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 2 . 324 . 1 1 6 ILE HA H -4.042 1.185 0.467 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 2 . 325 . 1 1 6 ILE HB H -6.170 1.135 2.667 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 2 . 326 . 1 1 6 ILE HD11 H -4.902 3.197 -0.418 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 2 . 327 . 1 1 6 ILE HD12 H -5.959 4.559 0.011 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 2 . 328 . 1 1 6 ILE HD13 H -4.488 4.255 0.961 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 2 . 329 . 1 1 6 ILE HG12 H -6.987 2.446 0.782 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 2 . 330 . 1 1 6 ILE HG13 H -6.637 3.490 2.131 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 2 . 331 . 1 1 6 ILE HG21 H -3.560 2.772 2.688 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 2 . 332 . 1 1 6 ILE HG22 H -4.946 3.052 3.772 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 2 . 333 . 1 1 6 ILE HG23 H -4.061 1.523 3.849 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 2 . 334 . 1 1 6 ILE N N -5.786 0.031 0.224 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 2 . 335 . 1 1 6 ILE O O -2.678 -0.125 2.141 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 2 . 336 . 1 1 7 THR C C -2.508 -3.392 1.530 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 2 . 337 . 1 1 7 THR CA C -3.484 -2.807 2.589 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 2 . 338 . 1 1 7 THR CB C -4.393 -3.861 3.287 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 2 . 339 . 1 1 7 THR CG2 C -3.654 -5.061 3.909 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 2 . 340 . 1 1 7 THR H H -5.265 -1.832 1.743 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 2 . 341 . 1 1 7 THR HA H -2.839 -2.402 3.383 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 2 . 342 . 1 1 7 THR HB H -5.126 -4.253 2.557 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 2 . 343 . 1 1 7 THR HG1 H -5.346 -2.363 4.022 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 2 . 344 . 1 1 7 THR HG21 H -4.353 -5.730 4.444 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 2 . 345 . 1 1 7 THR HG22 H -3.147 -5.672 3.141 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 2 . 346 . 1 1 7 THR HG23 H -2.888 -4.739 4.639 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 2 . 347 . 1 1 7 THR N N -4.313 -1.679 2.085 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 2 . 348 . 1 1 7 THR O O -1.343 -3.580 1.886 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 2 . 349 . 1 1 7 THR OG1 O -5.107 -3.234 4.350 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 2 . 350 . 1 1 8 ABA C C -0.848 -2.889 -1.119 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 2 . 351 . 1 1 8 ABA CA C -1.969 -3.981 -0.864 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 2 . 352 . 1 1 8 ABA N N -2.913 -3.652 0.264 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 2 . 353 . 1 1 8 ABA O O 0.311 -3.205 -1.407 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 2 . 354 . 1 1 9 LEU C C 0.541 -0.124 0.199 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 2 . 355 . 1 1 9 LEU CA C -0.290 -0.442 -1.089 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 2 . 356 . 1 1 9 LEU CB C -1.131 0.773 -1.576 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 2 . 357 . 1 1 9 LEU CD1 C -2.854 1.526 -3.342 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 2 . 358 . 1 1 9 LEU CD2 C -0.436 1.196 -4.014 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 2 . 359 . 1 1 9 LEU CG C -1.566 0.723 -3.076 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 2 . 360 . 1 1 9 LEU H H -2.198 -1.474 -0.716 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 2 . 361 . 1 1 9 LEU HA H 0.455 -0.639 -1.878 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 2 . 362 . 1 1 9 LEU HB2 H -2.018 0.877 -0.919 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 2 . 363 . 1 1 9 LEU HB3 H -0.566 1.709 -1.404 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 2 . 364 . 1 1 9 LEU HD11 H -2.735 2.602 -3.121 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 2 . 365 . 1 1 9 LEU HD12 H -3.173 1.436 -4.399 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 2 . 366 . 1 1 9 LEU HD13 H -3.698 1.156 -2.731 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 2 . 367 . 1 1 9 LEU HD21 H 0.492 0.612 -3.869 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 2 . 368 . 1 1 9 LEU HD22 H -0.714 1.091 -5.079 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 2 . 369 . 1 1 9 LEU HD23 H -0.177 2.258 -3.843 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 2 . 370 . 1 1 9 LEU HG H -1.805 -0.323 -3.344 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 2 . 371 . 1 1 9 LEU N N -1.221 -1.600 -1.000 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 2 . 372 . 1 1 9 LEU O O 1.511 0.634 0.080 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 2 . 373 . 1 1 10 ABA C C 2.496 -1.146 2.485 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 2 . 374 . 1 1 10 ABA CA C 1.020 -0.572 2.660 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 2 . 375 . 1 1 10 ABA N N 0.214 -0.686 1.397 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 2 . 376 . 1 1 10 ABA O O 3.429 -0.371 2.725 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 2 . 377 . 1 1 11 HYP C C 4.753 -2.085 0.261 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 2 . 378 . 1 1 11 HYP CA C 4.181 -2.776 1.548 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 2 . 379 . 1 1 11 HYP CB C 4.076 -4.308 1.406 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 2 . 380 . 1 1 11 HYP CD C 1.856 -3.510 1.850 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 2 . 381 . 1 1 11 HYP CG C 2.612 -4.578 1.062 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 2 . 382 . 1 1 11 HYP HA H 4.894 -2.573 2.370 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 2 . 383 . 1 1 11 HYP HB2 H 4.771 -4.735 0.656 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 2 . 384 . 1 1 11 HYP HB3 H 4.331 -4.795 2.371 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 2 . 385 . 1 1 11 HYP HD1 H 1.412 -5.786 1.957 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 2 . 386 . 1 1 11 HYP HD22 H 0.952 -3.217 1.298 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 2 . 387 . 1 1 11 HYP HD23 H 1.564 -3.889 2.849 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 2 . 388 . 1 1 11 HYP HG H 2.450 -4.443 -0.025 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 2 . 389 . 1 1 11 HYP N N 2.812 -2.399 2.004 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 2 . 390 . 1 1 11 HYP O O 5.943 -2.267 -0.005 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 2 . 391 . 1 1 11 HYP OD1 O 2.221 -5.889 1.450 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 2 . 392 . 1 1 12 GLN C C 4.808 1.119 -1.054 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 2 . 393 . 1 1 12 GLN CA C 4.518 -0.344 -1.521 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 2 . 394 . 1 1 12 GLN CB C 3.585 -0.341 -2.767 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 2 . 395 . 1 1 12 GLN CD C 2.569 -1.627 -4.748 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 2 . 396 . 1 1 12 GLN CG C 3.251 -1.721 -3.369 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 2 . 397 . 1 1 12 GLN H H 3.033 -1.079 -0.128 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 2 . 398 . 1 1 12 GLN HA H 5.503 -0.725 -1.835 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 2 . 399 . 1 1 12 GLN HB2 H 2.642 0.189 -2.530 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 2 . 400 . 1 1 12 GLN HB3 H 4.066 0.277 -3.552 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 2 . 401 . 1 1 12 GLN HE21 H 0.960 -2.627 -4.071 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 2 . 402 . 1 1 12 GLN HE22 H 0.962 -2.109 -5.833 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 2 . 403 . 1 1 12 GLN HG2 H 4.181 -2.314 -3.461 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 2 . 404 . 1 1 12 GLN HG3 H 2.628 -2.259 -2.628 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 2 . 405 . 1 1 12 GLN N N 3.978 -1.253 -0.477 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 2 . 406 . 1 1 12 GLN NE2 N 1.361 -2.156 -4.889 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 2 . 407 . 1 1 12 GLN O O 5.066 1.958 -1.918 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 2 . 408 . 1 1 12 GLN OE1 O 3.121 -1.096 -5.710 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 2 . 409 . 1 1 13 ABA C C 7.155 1.977 1.079 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 2 . 410 . 1 1 13 ABA CA C 5.650 2.502 0.907 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 2 . 411 . 1 1 13 ABA N N 4.831 1.423 0.268 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 2 . 412 . 1 1 13 ABA O O 8.059 2.547 0.442 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 2 . 413 . 1 1 14 HYP C C 9.576 -0.230 0.669 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 2 . 414 . 1 1 14 HYP CA C 8.911 0.378 1.943 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 2 . 415 . 1 1 14 HYP CB C 8.875 -0.637 3.105 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 2 . 416 . 1 1 14 HYP CD C 6.589 0.042 2.601 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 2 . 417 . 1 1 14 HYP CG C 7.413 -0.988 3.373 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 2 . 418 . 1 1 14 HYP HA H 9.545 1.228 2.273 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 2 . 419 . 1 1 14 HYP HB2 H 9.457 -1.552 2.883 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 2 . 420 . 1 1 14 HYP HB3 H 9.341 -0.186 4.004 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 2 . 421 . 1 1 14 HYP HD1 H 7.380 -0.029 5.037 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 2 . 422 . 1 1 14 HYP HD22 H 5.896 -0.461 1.922 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 2 . 423 . 1 1 14 HYP HD23 H 5.975 0.633 3.282 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 2 . 424 . 1 1 14 HYP HG H 7.187 -2.007 3.010 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 2 . 425 . 1 1 14 HYP N N 7.519 0.882 1.835 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 2 . 426 . 1 1 14 HYP O O 10.781 -0.014 0.512 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 2 . 427 . 1 1 14 HYP OD1 O 7.128 -0.916 4.766 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 2 . 428 . 1 1 15 ABA C C 10.052 -0.540 -2.453 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 2 . 429 . 1 1 15 ABA CA C 9.436 -1.608 -1.448 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 2 . 430 . 1 1 15 ABA N N 8.863 -1.001 -0.200 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 2 . 431 . 1 1 15 ABA O O 11.183 -0.760 -2.904 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 2 . 432 . 1 1 16 PRO C C 11.176 2.534 -2.427 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 2 . 433 . 1 1 16 PRO CA C 10.197 1.785 -3.373 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 2 . 434 . 1 1 16 PRO CB C 9.098 2.689 -3.959 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 2 . 435 . 1 1 16 PRO CD C 8.044 0.996 -2.525 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 2 . 436 . 1 1 16 PRO CG C 7.842 2.385 -3.147 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 2 . 437 . 1 1 16 PRO HA H 10.815 1.412 -4.190 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 2 . 438 . 1 1 16 PRO HB2 H 9.352 3.767 -3.932 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 2 . 439 . 1 1 16 PRO HB3 H 8.924 2.442 -5.023 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 2 . 440 . 1 1 16 PRO HD2 H 7.853 1.043 -1.448 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 2 . 441 . 1 1 16 PRO HD3 H 7.343 0.237 -2.912 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 2 . 442 . 1 1 16 PRO HG2 H 7.733 3.138 -2.347 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 2 . 443 . 1 1 16 PRO HG3 H 6.932 2.447 -3.768 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 2 . 444 . 1 1 16 PRO N N 9.446 0.641 -2.804 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 2 . 445 . 1 1 16 PRO O O 12.175 3.067 -2.927 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 2 . 446 . 1 1 17 PHL C C 12.166 2.794 1.018 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 2 . 447 . 1 1 17 PHL CA C 11.605 3.549 -0.201 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 2 . 448 . 1 1 17 PHL CB C 10.654 4.710 0.203 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 2 . 449 . 1 1 17 PHL CD1 C 11.004 6.221 -1.836 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 2 . 450 . 1 1 17 PHL CD2 C 8.741 5.730 -1.146 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 2 . 451 . 1 1 17 PHL CE1 C 10.515 6.945 -2.920 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 2 . 452 . 1 1 17 PHL CE2 C 8.254 6.461 -2.226 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 2 . 453 . 1 1 17 PHL CG C 10.122 5.598 -0.943 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 2 . 454 . 1 1 17 PHL CZ C 9.141 7.067 -3.111 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 2 . 455 . 1 1 17 PHL H2 H 9.994 2.163 -0.861 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 2 . 456 . 1 1 17 PHL HA H 12.483 4.000 -0.702 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 2 . 457 . 1 1 17 PHL HB2 H 9.814 4.271 0.775 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 2 . 458 . 1 1 17 PHL HB3 H 11.175 5.370 0.924 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 2 . 459 . 1 1 17 PHL HC1 H 12.805 1.951 0.697 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 2 . 460 . 1 1 17 PHL HC2 H 11.355 2.346 1.617 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 2 . 461 . 1 1 17 PHL HD1 H 12.071 6.105 -1.712 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 2 . 462 . 1 1 17 PHL HD2 H 8.045 5.245 -0.476 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 2 . 463 . 1 1 17 PHL HE1 H 11.202 7.399 -3.616 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 2 . 464 . 1 1 17 PHL HE2 H 7.190 6.546 -2.378 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 2 . 465 . 1 1 17 PHL HO H 13.627 3.113 2.229 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 2 . 466 . 1 1 17 PHL HZ H 8.763 7.627 -3.952 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 2 . 467 . 1 1 17 PHL N N 10.887 2.619 -1.114 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 2 . 468 . 1 1 17 PHL O O 12.939 3.656 1.840 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
. 3 . 469 . 1 1 1 ACE C C -11.573 -1.351 -1.288 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 3 . 470 . 1 1 1 ACE CH3 C -12.720 -2.262 -1.727 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 3 . 471 . 1 1 1 ACE H1 H -13.576 -1.686 -2.124 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 3 . 472 . 1 1 1 ACE H2 H -12.393 -2.955 -2.524 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 3 . 473 . 1 1 1 ACE H3 H -13.087 -2.880 -0.886 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 3 . 474 . 1 1 1 ACE O O -10.414 -1.594 -1.635 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 3 . 475 . 1 1 2 TRP C C -9.962 0.218 1.096 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 3 . 476 . 1 1 2 TRP CA C -10.924 0.703 -0.034 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 3 . 477 . 1 1 2 TRP CB C -11.621 2.028 0.386 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 3 . 478 . 1 1 2 TRP CD1 C -13.641 2.657 -1.170 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 3 . 479 . 1 1 2 TRP CD2 C -11.771 3.804 -1.558 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 3 . 480 . 1 1 2 TRP CE2 C -12.791 4.238 -2.444 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 3 . 481 . 1 1 2 TRP CE3 C -10.484 4.401 -1.599 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 3 . 482 . 1 1 2 TRP CG C -12.301 2.809 -0.752 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 3 . 483 . 1 1 2 TRP CH2 C -11.262 5.854 -3.394 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 3 . 484 . 1 1 2 TRP CZ2 C -12.533 5.278 -3.370 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 3 . 485 . 1 1 2 TRP CZ3 C -10.253 5.423 -2.522 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 3 . 486 . 1 1 2 TRP H H -12.913 -0.252 -0.283 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 3 . 487 . 1 1 2 TRP HA H -10.272 0.959 -0.893 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 3 . 488 . 1 1 2 TRP HB2 H -12.349 1.837 1.198 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 3 . 489 . 1 1 2 TRP HB3 H -10.875 2.703 0.849 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 3 . 490 . 1 1 2 TRP HD1 H -14.340 1.954 -0.739 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 3 . 491 . 1 1 2 TRP HE1 H -14.858 3.626 -2.716 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 3 . 492 . 1 1 2 TRP HE3 H -9.697 4.084 -0.929 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 3 . 493 . 1 1 2 TRP HH2 H -11.054 6.651 -4.093 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 3 . 494 . 1 1 2 TRP HZ2 H -13.304 5.629 -4.041 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 3 . 495 . 1 1 2 TRP HZ3 H -9.282 5.894 -2.563 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 3 . 496 . 1 1 2 TRP N N -11.914 -0.312 -0.511 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 3 . 497 . 1 1 2 TRP NE1 N -13.962 3.530 -2.225 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 3 . 498 . 1 1 2 TRP O O -8.805 0.644 1.091 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 3 . 499 . 1 1 3 ILE C C -8.527 -2.302 2.536 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 3 . 500 . 1 1 3 ILE CA C -9.496 -1.215 3.095 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 3 . 501 . 1 1 3 ILE CB C -10.240 -1.638 4.421 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 3 . 502 . 1 1 3 ILE CD1 C -12.700 -0.787 4.559 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 3 . 503 . 1 1 3 ILE CG1 C -11.240 -0.579 4.993 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 3 . 504 . 1 1 3 ILE CG2 C -9.247 -2.010 5.555 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 3 . 505 . 1 1 3 ILE H H -11.377 -0.938 1.955 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 3 . 506 . 1 1 3 ILE HA H -8.820 -0.387 3.361 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 3 . 507 . 1 1 3 ILE HB H -10.803 -2.567 4.205 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 3 . 508 . 1 1 3 ILE HD11 H -13.091 -1.756 4.923 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 3 . 509 . 1 1 3 ILE HD12 H -13.354 0.001 4.974 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 3 . 510 . 1 1 3 ILE HD13 H -12.819 -0.770 3.461 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 3 . 511 . 1 1 3 ILE HG12 H -11.250 -0.578 6.100 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 3 . 512 . 1 1 3 ILE HG13 H -10.913 0.443 4.726 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 3 . 513 . 1 1 3 ILE HG21 H -8.608 -1.155 5.843 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 3 . 514 . 1 1 3 ILE HG22 H -9.778 -2.347 6.466 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 3 . 515 . 1 1 3 ILE HG23 H -8.577 -2.840 5.268 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 3 . 516 . 1 1 3 ILE N N -10.397 -0.648 2.043 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 3 . 517 . 1 1 3 ILE O O -7.333 -2.215 2.835 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 3 . 518 . 1 1 4 GLN C C -7.052 -3.390 -0.006 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 3 . 519 . 1 1 4 GLN CA C -8.085 -4.129 0.896 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 3 . 520 . 1 1 4 GLN CB C -8.872 -5.210 0.110 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 3 . 521 . 1 1 4 GLN CD C -10.532 -5.949 -1.715 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 3 . 522 . 1 1 4 GLN CG C -9.915 -4.766 -0.949 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 3 . 523 . 1 1 4 GLN H H -9.991 -3.184 1.483 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 3 . 524 . 1 1 4 GLN HA H -7.465 -4.696 1.621 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 3 . 525 . 1 1 4 GLN HB2 H -8.141 -5.884 -0.381 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 3 . 526 . 1 1 4 GLN HB3 H -9.383 -5.865 0.841 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 3 . 527 . 1 1 4 GLN HE21 H -12.251 -5.769 -0.697 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 3 . 528 . 1 1 4 GLN HE22 H -12.131 -7.144 -1.907 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 3 . 529 . 1 1 4 GLN HG2 H -10.702 -4.154 -0.465 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 3 . 530 . 1 1 4 GLN HG3 H -9.443 -4.096 -1.687 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 3 . 531 . 1 1 4 GLN N N -8.993 -3.264 1.707 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 3 . 532 . 1 1 4 GLN NE2 N -11.763 -6.328 -1.404 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 3 . 533 . 1 1 4 GLN O O -5.896 -3.812 -0.042 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 3 . 534 . 1 1 4 GLN OE1 O -9.901 -6.538 -2.594 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 3 . 535 . 1 1 5 . C C -5.413 -0.775 -0.720 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 3 . 536 . 1 1 5 . CA C -6.593 -1.437 -1.547 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 3 . 537 . 1 1 5 . CB1 C -6.064 -2.306 -2.735 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 3 . 538 . 1 1 5 . CB2 C -7.470 -0.281 -2.116 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 3 . 539 . 1 1 5 . CG1 C -7.029 -2.840 -3.817 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 3 . 540 . 1 1 5 . H2 H -8.437 -2.058 -0.531 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 3 . 541 . 1 1 5 . HB11 H -5.291 -1.713 -3.214 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 3 . 542 . 1 1 5 . HB12 H -5.501 -3.176 -2.355 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 3 . 543 . 1 1 5 . HB21 H -7.940 0.327 -1.323 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 3 . 544 . 1 1 5 . HB22 H -6.879 0.419 -2.738 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 3 . 545 . 1 1 5 . HB23 H -8.301 -0.635 -2.752 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 3 . 546 . 1 1 5 . HG11 H -7.508 -2.027 -4.390 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 3 . 547 . 1 1 5 . HG12 H -6.480 -3.464 -4.544 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 3 . 548 . 1 1 5 . HG13 H -7.831 -3.465 -3.381 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 3 . 549 . 1 1 5 . N N -7.464 -2.299 -0.694 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 3 . 550 . 1 1 5 . O O -4.240 -0.953 -1.058 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 3 . 551 . 1 1 6 ILE C C -3.793 -0.601 2.028 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 3 . 552 . 1 1 6 ILE CA C -4.678 0.499 1.330 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 3 . 553 . 1 1 6 ILE CB C -5.348 1.525 2.323 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 3 . 554 . 1 1 6 ILE CD1 C -5.247 3.683 0.781 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 3 . 555 . 1 1 6 ILE CG1 C -6.087 2.725 1.644 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 3 . 556 . 1 1 6 ILE CG2 C -4.412 2.090 3.425 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 3 . 557 . 1 1 6 ILE H H -6.712 0.021 0.590 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 3 . 558 . 1 1 6 ILE HA H -3.968 1.083 0.714 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 3 . 559 . 1 1 6 ILE HB H -6.127 0.961 2.873 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 3 . 560 . 1 1 6 ILE HD11 H -4.775 3.165 -0.073 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 3 . 561 . 1 1 6 ILE HD12 H -5.876 4.489 0.364 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 3 . 562 . 1 1 6 ILE HD13 H -4.443 4.170 1.364 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 3 . 563 . 1 1 6 ILE HG12 H -6.910 2.342 1.015 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 3 . 564 . 1 1 6 ILE HG13 H -6.605 3.320 2.420 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 3 . 565 . 1 1 6 ILE HG21 H -3.521 2.589 3.001 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 3 . 566 . 1 1 6 ILE HG22 H -4.927 2.829 4.068 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 3 . 567 . 1 1 6 ILE HG23 H -4.050 1.295 4.103 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 3 . 568 . 1 1 6 ILE N N -5.709 -0.049 0.387 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 3 . 569 . 1 1 6 ILE O O -2.642 -0.306 2.360 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 3 . 570 . 1 1 7 THR C C -2.471 -3.545 1.640 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 3 . 571 . 1 1 7 THR CA C -3.480 -2.998 2.696 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 3 . 572 . 1 1 7 THR CB C -4.407 -4.075 3.333 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 3 . 573 . 1 1 7 THR CG2 C -3.685 -5.286 3.954 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 3 . 574 . 1 1 7 THR H H -5.266 -1.963 1.916 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 3 . 575 . 1 1 7 THR HA H -2.853 -2.626 3.518 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 3 . 576 . 1 1 7 THR HB H -5.108 -4.451 2.566 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 3 . 577 . 1 1 7 THR HG1 H -5.250 -2.553 4.146 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 3 . 578 . 1 1 7 THR HG21 H -4.405 -5.962 4.452 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 3 . 579 . 1 1 7 THR HG22 H -3.155 -5.887 3.192 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 3 . 580 . 1 1 7 THR HG23 H -2.940 -4.981 4.711 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 3 . 581 . 1 1 7 THR N N -4.292 -1.843 2.219 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 3 . 582 . 1 1 7 THR O O -1.304 -3.690 1.998 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 3 . 583 . 1 1 7 THR OG1 O -5.166 -3.480 4.384 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 3 . 584 . 1 1 8 ABA C C -0.816 -2.986 -0.998 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 3 . 585 . 1 1 8 ABA CA C -1.906 -4.110 -0.756 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 3 . 586 . 1 1 8 ABA N N -2.869 -3.817 0.372 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 3 . 587 . 1 1 8 ABA O O 0.356 -3.268 -1.279 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 3 . 588 . 1 1 9 LEU C C 0.528 -0.211 0.310 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 3 . 589 . 1 1 9 LEU CA C -0.328 -0.526 -0.963 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 3 . 590 . 1 1 9 LEU CB C -1.203 0.683 -1.407 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 3 . 591 . 1 1 9 LEU CD1 C -2.932 1.533 -3.124 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 3 . 592 . 1 1 9 LEU CD2 C -0.562 1.079 -3.862 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 3 . 593 . 1 1 9 LEU CG C -1.685 0.656 -2.892 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 3 . 594 . 1 1 9 LEU H H -2.205 -1.606 -0.592 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 3 . 595 . 1 1 9 LEU HA H 0.403 -0.695 -1.773 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 3 . 596 . 1 1 9 LEU HB2 H -2.071 0.756 -0.725 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 3 . 597 . 1 1 9 LEU HB3 H -0.650 1.623 -1.235 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 3 . 598 . 1 1 9 LEU HD11 H -2.734 2.602 -2.923 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 3 . 599 . 1 1 9 LEU HD12 H -3.293 1.451 -4.168 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 3 . 600 . 1 1 9 LEU HD13 H -3.777 1.227 -2.478 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 3 . 601 . 1 1 9 LEU HD21 H 0.342 0.453 -3.749 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 3 . 602 . 1 1 9 LEU HD22 H -0.877 0.993 -4.920 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 3 . 603 . 1 1 9 LEU HD23 H -0.249 2.127 -3.695 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 3 . 604 . 1 1 9 LEU HG H -1.983 -0.373 -3.154 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 3 . 605 . 1 1 9 LEU N N -1.224 -1.708 -0.877 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 3 . 606 . 1 1 9 LEU O O 1.486 0.553 0.177 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 3 . 607 . 1 1 10 ABA C C 2.553 -1.222 2.531 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 3 . 608 . 1 1 10 ABA CA C 1.074 -0.677 2.753 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 3 . 609 . 1 1 10 ABA N N 0.234 -0.788 1.510 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 3 . 610 . 1 1 10 ABA O O 3.477 -0.434 2.756 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 3 . 611 . 1 1 11 HYP C C 4.761 -2.104 0.242 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 3 . 612 . 1 1 11 HYP CA C 4.234 -2.818 1.532 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 3 . 613 . 1 1 11 HYP CB C 4.152 -4.348 1.368 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 3 . 614 . 1 1 11 HYP CD C 1.938 -3.596 1.929 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 3 . 615 . 1 1 11 HYP CG C 2.677 -4.649 1.104 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 3 . 616 . 1 1 11 HYP HA H 4.966 -2.613 2.335 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 3 . 617 . 1 1 11 HYP HB2 H 4.808 -4.748 0.572 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 3 . 618 . 1 1 11 HYP HB3 H 4.473 -4.846 2.305 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 3 . 619 . 1 1 11 HYP HD1 H 1.400 -5.931 1.762 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 3 . 620 . 1 1 11 HYP HD22 H 1.000 -3.324 1.429 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 3 . 621 . 1 1 11 HYP HD23 H 1.707 -3.980 2.943 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 3 . 622 . 1 1 11 HYP HG H 2.452 -4.525 0.027 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 3 . 623 . 1 1 11 HYP N N 2.873 -2.465 2.032 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 3 . 624 . 1 1 11 HYP O O 5.952 -2.267 -0.056 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 3 . 625 . 1 1 11 HYP OD1 O 2.330 -5.962 1.525 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 3 . 626 . 1 1 12 GLN C C 4.733 1.123 -1.037 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 3 . 627 . 1 1 12 GLN CA C 4.466 -0.342 -1.511 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 3 . 628 . 1 1 12 GLN CB C 3.513 -0.347 -2.739 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 3 . 629 . 1 1 12 GLN CD C 2.472 -1.636 -4.701 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 3 . 630 . 1 1 12 GLN CG C 3.204 -1.727 -3.352 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 3 . 631 . 1 1 12 GLN H H 3.022 -1.112 -0.095 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 3 . 632 . 1 1 12 GLN HA H 5.453 -0.699 -1.843 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 3 . 633 . 1 1 12 GLN HB2 H 2.562 0.157 -2.482 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 3 . 634 . 1 1 12 GLN HB3 H 3.967 0.289 -3.519 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 3 . 635 . 1 1 12 GLN HE21 H 0.906 -2.671 -3.981 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 3 . 636 . 1 1 12 GLN HE22 H 0.856 -2.148 -5.747 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 3 . 637 . 1 1 12 GLN HG2 H 4.146 -2.291 -3.475 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 3 . 638 . 1 1 12 GLN HG3 H 2.614 -2.295 -2.596 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 3 . 639 . 1 1 12 GLN N N 3.961 -1.272 -0.464 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 3 . 640 . 1 1 12 GLN NE2 N 1.280 -2.195 -4.814 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 3 . 641 . 1 1 12 GLN O O 4.935 1.980 -1.897 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 3 . 642 . 1 1 12 GLN OE1 O 2.977 -1.075 -5.678 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 3 . 643 . 1 1 13 ABA C C 7.126 1.986 1.057 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 3 . 644 . 1 1 13 ABA CA C 5.613 2.497 0.916 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 3 . 645 . 1 1 13 ABA N N 4.799 1.407 0.288 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 3 . 646 . 1 1 13 ABA O O 8.013 2.568 0.413 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 3 . 647 . 1 1 14 HYP C C 9.567 -0.188 0.595 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 3 . 648 . 1 1 14 HYP CA C 8.912 0.405 1.881 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 3 . 649 . 1 1 14 HYP CB C 8.904 -0.622 3.034 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 3 . 650 . 1 1 14 HYP CD C 6.601 0.034 2.572 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 3 . 651 . 1 1 14 HYP CG C 7.448 -1.004 3.305 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 3 . 652 . 1 1 14 HYP HA H 9.545 1.256 2.207 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 3 . 653 . 1 1 14 HYP HB2 H 9.497 -1.528 2.799 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 3 . 654 . 1 1 14 HYP HB3 H 9.366 -0.177 3.938 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 3 . 655 . 1 1 14 HYP HD1 H 7.383 -0.097 4.996 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 3 . 656 . 1 1 14 HYP HD22 H 5.891 -0.460 1.902 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 3 . 657 . 1 1 14 HYP HD23 H 6.010 0.616 3.280 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 3 . 658 . 1 1 14 HYP HG H 7.239 -2.015 2.909 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 3 . 659 . 1 1 14 HYP N N 7.510 0.888 1.797 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 3 . 660 . 1 1 14 HYP O O 10.765 0.045 0.419 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 3 . 661 . 1 1 14 HYP OD1 O 7.174 -0.987 4.701 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 3 . 662 . 1 1 15 ABA C C 9.984 -0.454 -2.532 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 3 . 663 . 1 1 15 ABA CA C 9.408 -1.546 -1.530 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 3 . 664 . 1 1 15 ABA N N 8.848 -0.961 -0.267 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 3 . 665 . 1 1 15 ABA O O 11.120 -0.637 -2.990 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 3 . 666 . 1 1 16 PRO C C 11.033 2.657 -2.541 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 3 . 667 . 1 1 16 PRO CA C 10.051 1.877 -3.459 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 3 . 668 . 1 1 16 PRO CB C 8.915 2.751 -4.015 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 3 . 669 . 1 1 16 PRO CD C 7.936 1.029 -2.565 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 3 . 670 . 1 1 16 PRO CG C 7.697 2.425 -3.157 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 3 . 671 . 1 1 16 PRO HA H 10.660 1.518 -4.291 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 3 . 672 . 1 1 16 PRO HB2 H 9.147 3.833 -4.003 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 3 . 673 . 1 1 16 PRO HB3 H 8.711 2.493 -5.071 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 3 . 674 . 1 1 16 PRO HD2 H 7.751 1.053 -1.483 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 3 . 675 . 1 1 16 PRO HD3 H 7.249 0.262 -2.956 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 3 . 676 . 1 1 16 PRO HG2 H 7.617 3.166 -2.342 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 3 . 677 . 1 1 16 PRO HG3 H 6.760 2.488 -3.737 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 3 . 678 . 1 1 16 PRO N N 9.341 0.714 -2.871 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 3 . 679 . 1 1 16 PRO O O 11.985 3.236 -3.069 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 3 . 680 . 1 1 17 PHL C C 12.111 2.856 0.892 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 3 . 681 . 1 1 17 PHL CA C 11.530 3.627 -0.310 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 3 . 682 . 1 1 17 PHL CB C 10.583 4.774 0.138 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 3 . 683 . 1 1 17 PHL CD1 C 10.793 6.310 -1.911 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 3 . 684 . 1 1 17 PHL CD2 C 8.587 5.792 -1.074 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 3 . 685 . 1 1 17 PHL CE1 C 10.224 7.060 -2.940 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 3 . 686 . 1 1 17 PHL CE2 C 8.021 6.544 -2.100 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 3 . 687 . 1 1 17 PHL CG C 9.977 5.667 -0.973 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 3 . 688 . 1 1 17 PHL CZ C 8.841 7.179 -3.030 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 3 . 689 . 1 1 17 PHL H2 H 9.920 2.231 -0.937 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 3 . 690 . 1 1 17 PHL HA H 12.395 4.086 -0.831 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 3 . 691 . 1 1 17 PHL HB2 H 9.775 4.313 0.740 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 3 . 692 . 1 1 17 PHL HB3 H 11.124 5.433 0.843 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 3 . 693 . 1 1 17 PHL HC1 H 12.650 1.947 0.562 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 3 . 694 . 1 1 17 PHL HC2 H 11.306 2.507 1.566 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 3 . 695 . 1 1 17 PHL HD1 H 11.866 6.195 -1.870 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 3 . 696 . 1 1 17 PHL HD2 H 7.941 5.290 -0.370 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 3 . 697 . 1 1 17 PHL HE1 H 10.857 7.538 -3.671 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 3 . 698 . 1 1 17 PHL HE2 H 6.947 6.625 -2.177 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 3 . 699 . 1 1 17 PHL HO H 13.709 3.922 1.022 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 3 . 700 . 1 1 17 PHL HZ H 8.400 7.762 -3.823 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 3 . 701 . 1 1 17 PHL N N 10.790 2.707 -1.215 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 3 . 702 . 1 1 17 PHL O O 13.009 3.672 1.632 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
. 4 . 703 . 1 1 1 ACE C C -11.583 -1.587 -1.196 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 4 . 704 . 1 1 1 ACE CH3 C -12.607 -2.720 -1.183 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 4 . 705 . 1 1 1 ACE H1 H -13.640 -2.348 -1.329 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 4 . 706 . 1 1 1 ACE H2 H -12.405 -3.449 -1.988 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 4 . 707 . 1 1 1 ACE H3 H -12.581 -3.269 -0.222 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 4 . 708 . 1 1 1 ACE O O -10.504 -1.726 -1.778 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 4 . 709 . 1 1 2 TRP C C -9.994 0.527 0.832 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 4 . 710 . 1 1 2 TRP CA C -11.032 0.684 -0.330 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 4 . 711 . 1 1 2 TRP CB C -11.897 1.967 -0.183 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 4 . 712 . 1 1 2 TRP CD1 C -11.132 3.601 -2.070 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 4 . 713 . 1 1 2 TRP CD2 C -10.717 4.321 -0.006 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 4 . 714 . 1 1 2 TRP CE2 C -10.318 5.305 -0.947 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 4 . 715 . 1 1 2 TRP CE3 C -10.590 4.565 1.386 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 4 . 716 . 1 1 2 TRP CG C -11.235 3.247 -0.707 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 4 . 717 . 1 1 2 TRP CH2 C -9.682 6.768 0.871 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 4 . 718 . 1 1 2 TRP CZ2 C -9.800 6.546 -0.503 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 4 . 719 . 1 1 2 TRP CZ3 C -10.069 5.794 1.799 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 4 . 720 . 1 1 2 TRP H H -12.869 -0.523 -0.090 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 4 . 721 . 1 1 2 TRP HA H -10.443 0.787 -1.263 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 4 . 722 . 1 1 2 TRP HB2 H -12.849 1.862 -0.740 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 4 . 723 . 1 1 2 TRP HB3 H -12.216 2.095 0.869 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 4 . 724 . 1 1 2 TRP HD1 H -11.481 2.983 -2.886 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 4 . 725 . 1 1 2 TRP HE1 H -10.417 5.387 -3.118 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 4 . 726 . 1 1 2 TRP HE3 H -10.895 3.829 2.113 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 4 . 727 . 1 1 2 TRP HH2 H -9.292 7.712 1.223 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 4 . 728 . 1 1 2 TRP HZ2 H -9.512 7.313 -1.207 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 4 . 729 . 1 1 2 TRP HZ3 H -9.972 6.001 2.855 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 4 . 730 . 1 1 2 TRP N N -11.939 -0.484 -0.522 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 4 . 731 . 1 1 2 TRP NE1 N -10.562 4.874 -2.242 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 4 . 732 . 1 1 2 TRP O O -8.871 1.025 0.710 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 4 . 733 . 1 1 3 ILE C C -8.499 -1.973 2.273 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 4 . 734 . 1 1 3 ILE CA C -9.339 -0.786 2.860 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 4 . 735 . 1 1 3 ILE CB C -9.997 -1.112 4.252 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 4 . 736 . 1 1 3 ILE CD1 C -9.419 -1.544 6.796 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 4 . 737 . 1 1 3 ILE CG1 C -8.934 -1.467 5.339 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 4 . 738 . 1 1 3 ILE CG2 C -11.113 -2.191 4.167 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 4 . 739 . 1 1 3 ILE H H -11.308 -0.526 1.912 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 4 . 740 . 1 1 3 ILE HA H -8.589 0.013 3.022 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 4 . 741 . 1 1 3 ILE HB H -10.488 -0.181 4.597 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 4 . 742 . 1 1 3 ILE HD11 H -10.160 -2.350 6.947 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 4 . 743 . 1 1 3 ILE HD12 H -8.573 -1.756 7.475 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 4 . 744 . 1 1 3 ILE HD13 H -9.877 -0.595 7.129 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 4 . 745 . 1 1 3 ILE HG12 H -8.444 -2.428 5.091 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 4 . 746 . 1 1 3 ILE HG13 H -8.122 -0.720 5.304 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 4 . 747 . 1 1 3 ILE HG21 H -10.716 -3.180 3.871 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 4 . 748 . 1 1 3 ILE HG22 H -11.636 -2.324 5.131 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 4 . 749 . 1 1 3 ILE HG23 H -11.890 -1.924 3.428 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 4 . 750 . 1 1 3 ILE N N -10.340 -0.188 1.924 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 4 . 751 . 1 1 3 ILE O O -7.336 -2.113 2.658 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 4 . 752 . 1 1 4 GLN C C -7.123 -3.128 -0.320 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 4 . 753 . 1 1 4 GLN CA C -8.208 -3.784 0.585 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 4 . 754 . 1 1 4 GLN CB C -9.116 -4.757 -0.220 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 4 . 755 . 1 1 4 GLN CD C -9.754 -7.226 -0.657 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 4 . 756 . 1 1 4 GLN CG C -8.735 -6.247 -0.047 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 4 . 757 . 1 1 4 GLN H H -10.000 -2.596 1.093 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 4 . 758 . 1 1 4 GLN HA H -7.659 -4.379 1.348 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 4 . 759 . 1 1 4 GLN HB2 H -10.175 -4.644 0.086 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 4 . 760 . 1 1 4 GLN HB3 H -9.125 -4.501 -1.297 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 4 . 761 . 1 1 4 GLN HE21 H -8.394 -7.896 -1.972 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 4 . 762 . 1 1 4 GLN HE22 H -10.045 -8.696 -1.983 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 4 . 763 . 1 1 4 GLN HG2 H -7.716 -6.418 -0.445 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 4 . 764 . 1 1 4 GLN HG3 H -8.660 -6.483 1.032 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 4 . 765 . 1 1 4 GLN N N -9.032 -2.807 1.357 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 4 . 766 . 1 1 4 GLN NE2 N -9.363 -8.005 -1.653 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 4 . 767 . 1 1 4 GLN O O -5.988 -3.610 -0.317 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 4 . 768 . 1 1 4 GLN OE1 O -10.899 -7.312 -0.215 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 4 . 769 . 1 1 5 . C C -5.382 -0.572 -0.787 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 4 . 770 . 1 1 5 . CA C -6.506 -1.135 -1.753 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 4 . 771 . 1 1 5 . CB1 C -5.919 -1.936 -2.962 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 4 . 772 . 1 1 5 . CB2 C -7.320 0.081 -2.288 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 4 . 773 . 1 1 5 . CG1 C -6.789 -2.279 -4.192 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 4 . 774 . 1 1 5 . H2 H -8.399 -1.676 -0.853 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 4 . 775 . 1 1 5 . HB11 H -5.056 -1.370 -3.295 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 4 . 776 . 1 1 5 . HB12 H -5.470 -2.882 -2.617 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 4 . 777 . 1 1 5 . HB21 H -7.779 0.672 -1.481 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 4 . 778 . 1 1 5 . HB22 H -6.686 0.780 -2.862 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 4 . 779 . 1 1 5 . HB23 H -8.154 -0.211 -2.951 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 4 . 780 . 1 1 5 . HG11 H -7.173 -1.375 -4.700 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 4 . 781 . 1 1 5 . HG12 H -6.203 -2.836 -4.945 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 4 . 782 . 1 1 5 . HG13 H -7.661 -2.904 -3.919 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 4 . 783 . 1 1 5 . N N -7.462 -2.023 -1.036 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 4 . 784 . 1 1 5 . O O -4.192 -0.724 -1.071 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 4 . 785 . 1 1 6 ILE C C -3.867 -0.628 2.046 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 4 . 786 . 1 1 6 ILE CA C -4.763 0.497 1.403 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 4 . 787 . 1 1 6 ILE CB C -5.435 1.505 2.423 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 4 . 788 . 1 1 6 ILE CD1 C -5.195 3.966 3.349 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 4 . 789 . 1 1 6 ILE CG1 C -4.547 2.771 2.626 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 4 . 790 . 1 1 6 ILE CG2 C -5.848 0.901 3.790 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 4 . 791 . 1 1 6 ILE H H -6.765 0.107 0.513 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 4 . 792 . 1 1 6 ILE HA H -4.034 1.091 0.815 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 4 . 793 . 1 1 6 ILE HB H -6.386 1.868 1.978 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 4 . 794 . 1 1 6 ILE HD11 H -5.410 3.745 4.410 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 4 . 795 . 1 1 6 ILE HD12 H -4.523 4.843 3.331 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 4 . 796 . 1 1 6 ILE HD13 H -6.143 4.271 2.868 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 4 . 797 . 1 1 6 ILE HG12 H -3.613 2.493 3.150 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 4 . 798 . 1 1 6 ILE HG13 H -4.220 3.147 1.640 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 4 . 799 . 1 1 6 ILE HG21 H -4.970 0.667 4.422 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 4 . 800 . 1 1 6 ILE HG22 H -6.494 1.586 4.370 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 4 . 801 . 1 1 6 ILE HG23 H -6.411 -0.037 3.673 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 4 . 802 . 1 1 6 ILE N N -5.750 0.037 0.373 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 4 . 803 . 1 1 6 ILE O O -2.757 -0.325 2.492 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 4 . 804 . 1 1 7 THR C C -2.539 -3.590 1.460 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 4 . 805 . 1 1 7 THR CA C -3.551 -3.075 2.524 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 4 . 806 . 1 1 7 THR CB C -4.516 -4.160 3.090 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 4 . 807 . 1 1 7 THR CG2 C -3.844 -5.442 3.616 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 4 . 808 . 1 1 7 THR H H -5.281 -2.000 1.692 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 4 . 809 . 1 1 7 THR HA H -2.931 -2.748 3.369 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 4 . 810 . 1 1 7 THR HB H -5.232 -4.456 2.302 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 4 . 811 . 1 1 7 THR HG1 H -5.524 -2.730 3.893 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 4 . 812 . 1 1 7 THR HG21 H -4.582 -6.116 4.087 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 4 . 813 . 1 1 7 THR HG22 H -3.366 -6.012 2.799 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 4 . 814 . 1 1 7 THR HG23 H -3.067 -5.227 4.372 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 4 . 815 . 1 1 7 THR N N -4.333 -1.895 2.071 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 4 . 816 . 1 1 7 THR O O -1.372 -3.750 1.817 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 4 . 817 . 1 1 7 THR OG1 O -5.256 -3.608 4.176 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 4 . 818 . 1 1 8 ABA C C -0.862 -3.016 -1.170 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 4 . 819 . 1 1 8 ABA CA C -1.980 -4.120 -0.943 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 4 . 820 . 1 1 8 ABA N N -2.938 -3.823 0.186 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 4 . 821 . 1 1 8 ABA O O 0.298 -3.317 -1.471 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 4 . 822 . 1 1 9 LEU C C 0.488 -0.245 0.218 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 4 . 823 . 1 1 9 LEU CA C -0.313 -0.566 -1.090 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 4 . 824 . 1 1 9 LEU CB C -1.131 0.654 -1.607 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 4 . 825 . 1 1 9 LEU CD1 C -2.767 1.419 -3.454 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 4 . 826 . 1 1 9 LEU CD2 C -0.324 1.094 -4.003 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 4 . 827 . 1 1 9 LEU CG C -1.497 0.613 -3.124 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 4 . 828 . 1 1 9 LEU H H -2.214 -1.614 -0.715 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 4 . 829 . 1 1 9 LEU HA H 0.459 -0.766 -1.853 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 4 . 830 . 1 1 9 LEU HB2 H -2.041 0.764 -0.988 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 4 . 831 . 1 1 9 LEU HB3 H -0.570 1.584 -1.411 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 4 . 832 . 1 1 9 LEU HD11 H -2.667 2.488 -3.192 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 4 . 833 . 1 1 9 LEU HD12 H -3.012 1.365 -4.531 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 4 . 834 . 1 1 9 LEU HD13 H -3.650 1.030 -2.918 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 4 . 835 . 1 1 9 LEU HD21 H 0.596 0.511 -3.818 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 4 . 836 . 1 1 9 LEU HD22 H -0.547 1.001 -5.083 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 4 . 837 . 1 1 9 LEU HD23 H -0.076 2.155 -3.808 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 4 . 838 . 1 1 9 LEU HG H -1.721 -0.431 -3.410 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 4 . 839 . 1 1 9 LEU N N -1.240 -1.728 -1.020 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 4 . 840 . 1 1 9 LEU O O 1.447 0.525 0.117 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 4 . 841 . 1 1 10 ABA C C 2.461 -1.277 2.452 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 4 . 842 . 1 1 10 ABA CA C 0.979 -0.736 2.664 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 4 . 843 . 1 1 10 ABA N N 0.155 -0.822 1.409 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 4 . 844 . 1 1 10 ABA O O 3.384 -0.496 2.702 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 4 . 845 . 1 1 11 HYP C C 4.731 -2.134 0.210 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 4 . 846 . 1 1 11 HYP CA C 4.161 -2.868 1.472 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 4 . 847 . 1 1 11 HYP CB C 4.077 -4.394 1.272 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 4 . 848 . 1 1 11 HYP CD C 1.849 -3.634 1.771 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 4 . 849 . 1 1 11 HYP CG C 2.612 -4.674 0.947 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 4 . 850 . 1 1 11 HYP HA H 4.874 -2.682 2.295 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 4 . 851 . 1 1 11 HYP HB2 H 4.756 -4.782 0.492 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 4 . 852 . 1 1 11 HYP HB3 H 4.359 -4.910 2.208 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 4 . 853 . 1 1 11 HYP HD1 H 1.376 -5.921 1.738 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 4 . 854 . 1 1 11 HYP HD22 H 0.932 -3.340 1.240 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 4 . 855 . 1 1 11 HYP HD23 H 1.573 -4.043 2.762 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 4 . 856 . 1 1 11 HYP HG H 2.424 -4.519 -0.134 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 4 . 857 . 1 1 11 HYP N N 2.790 -2.513 1.940 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 4 . 858 . 1 1 11 HYP O O 5.930 -2.283 -0.049 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 4 . 859 . 1 1 11 HYP OD1 O 2.239 -5.995 1.323 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 4 . 860 . 1 1 12 GLN C C 4.728 1.090 -1.057 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 4 . 861 . 1 1 12 GLN CA C 4.471 -0.373 -1.547 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 4 . 862 . 1 1 12 GLN CB C 3.547 -0.377 -2.798 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 4 . 863 . 1 1 12 GLN CD C 2.565 -1.674 -4.793 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 4 . 864 . 1 1 12 GLN CG C 3.256 -1.759 -3.419 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 4 . 865 . 1 1 12 GLN H H 2.996 -1.158 -0.168 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 4 . 866 . 1 1 12 GLN HA H 5.468 -0.725 -1.851 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 4 . 867 . 1 1 12 GLN HB2 H 2.587 0.114 -2.554 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 4 . 868 . 1 1 12 GLN HB3 H 4.007 0.268 -3.566 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 4 . 869 . 1 1 12 GLN HE21 H 0.970 -2.677 -4.108 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 4 . 870 . 1 1 12 GLN HE22 H 0.944 -2.119 -5.861 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 4 . 871 . 1 1 12 GLN HG2 H 4.205 -2.320 -3.518 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 4 . 872 . 1 1 12 GLN HG3 H 2.649 -2.330 -2.683 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 4 . 873 . 1 1 12 GLN N N 3.943 -1.312 -0.519 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 4 . 874 . 1 1 12 GLN NE2 N 1.367 -2.208 -4.928 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 4 . 875 . 1 1 12 GLN O O 4.955 1.948 -1.911 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 4 . 876 . 1 1 12 GLN OE1 O 3.110 -1.124 -5.750 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 4 . 877 . 1 1 13 ABA C C 7.061 1.943 1.110 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 4 . 878 . 1 1 13 ABA CA C 5.550 2.450 0.928 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 4 . 879 . 1 1 13 ABA N N 4.757 1.362 0.270 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 4 . 880 . 1 1 13 ABA O O 7.965 2.537 0.498 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 4 . 881 . 1 1 14 HYP C C 9.530 -0.219 0.715 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 4 . 882 . 1 1 14 HYP CA C 8.833 0.368 1.979 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 4 . 883 . 1 1 14 HYP CB C 8.797 -0.659 3.128 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 4 . 884 . 1 1 14 HYP CD C 6.506 -0.019 2.595 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 4 . 885 . 1 1 14 HYP CG C 7.338 -1.059 3.343 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 4 . 886 . 1 1 14 HYP HA H 9.446 1.219 2.330 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 4 . 887 . 1 1 14 HYP HB2 H 9.407 -1.555 2.909 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 4 . 888 . 1 1 14 HYP HB3 H 9.222 -0.211 4.048 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 4 . 889 . 1 1 14 HYP HD1 H 7.202 -0.171 5.040 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 4 . 890 . 1 1 14 HYP HD22 H 5.816 -0.512 1.903 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 4 . 891 . 1 1 14 HYP HD23 H 5.893 0.557 3.288 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 4 . 892 . 1 1 14 HYP HG H 7.152 -2.065 2.926 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 4 . 893 . 1 1 14 HYP N N 7.433 0.845 1.854 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 4 . 894 . 1 1 14 HYP O O 10.732 0.010 0.578 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 4 . 895 . 1 1 14 HYP OD1 O 7.017 -1.061 4.729 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 4 . 896 . 1 1 15 ABA C C 10.050 -0.454 -2.391 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 4 . 897 . 1 1 15 ABA CA C 9.440 -1.558 -1.422 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 4 . 898 . 1 1 15 ABA N N 8.837 -0.982 -0.174 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 4 . 899 . 1 1 15 ABA O O 11.209 -0.618 -2.795 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 4 . 900 . 1 1 16 PRO C C 11.060 2.677 -2.354 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 4 . 901 . 1 1 16 PRO CA C 10.126 1.881 -3.308 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 4 . 902 . 1 1 16 PRO CB C 8.999 2.736 -3.918 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 4 . 903 . 1 1 16 PRO CD C 7.987 1.003 -2.502 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 4 . 904 . 1 1 16 PRO CG C 7.746 2.387 -3.120 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 4 . 905 . 1 1 16 PRO HA H 10.775 1.531 -4.113 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 4 . 906 . 1 1 16 PRO HB2 H 9.210 3.822 -3.898 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 4 . 907 . 1 1 16 PRO HB3 H 8.852 2.473 -4.982 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 4 . 908 . 1 1 16 PRO HD2 H 7.766 1.039 -1.426 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 4 . 909 . 1 1 16 PRO HD3 H 7.326 0.226 -2.911 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 4 . 910 . 1 1 16 PRO HG2 H 7.604 3.132 -2.317 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 4 . 911 . 1 1 16 PRO HG3 H 6.839 2.421 -3.749 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 4 . 912 . 1 1 16 PRO N N 9.407 0.706 -2.751 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 4 . 913 . 1 1 16 PRO O O 12.010 3.293 -2.850 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 4 . 914 . 1 1 17 PHL C C 12.011 2.850 1.139 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 4 . 915 . 1 1 17 PHL CA C 11.492 3.617 -0.096 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 4 . 916 . 1 1 17 PHL CB C 10.532 4.761 0.322 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 4 . 917 . 1 1 17 PHL CD1 C 10.862 6.398 -1.624 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 4 . 918 . 1 1 17 PHL CD2 C 8.619 5.687 -1.086 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 4 . 919 . 1 1 17 PHL CE1 C 10.367 7.150 -2.684 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 4 . 920 . 1 1 17 PHL CE2 C 8.125 6.442 -2.144 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 4 . 921 . 1 1 17 PHL CG C 9.990 5.658 -0.814 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 4 . 922 . 1 1 17 PHL CZ C 8.999 7.179 -2.940 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 4 . 923 . 1 1 17 PHL H2 H 9.917 2.206 -0.781 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 4 . 924 . 1 1 17 PHL HA H 12.384 4.079 -0.567 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 4 . 925 . 1 1 17 PHL HB2 H 9.694 4.298 0.878 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 4 . 926 . 1 1 17 PHL HB3 H 11.043 5.410 1.059 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 4 . 927 . 1 1 17 PHL HC1 H 11.181 2.389 1.699 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 4 . 928 . 1 1 17 PHL HC2 H 12.499 3.541 1.853 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 4 . 929 . 1 1 17 PHL HD1 H 11.928 6.355 -1.455 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 4 . 930 . 1 1 17 PHL HD2 H 7.934 5.102 -0.491 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 4 . 931 . 1 1 17 PHL HE1 H 11.045 7.706 -3.316 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 4 . 932 . 1 1 17 PHL HE2 H 7.066 6.449 -2.354 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 4 . 933 . 1 1 17 PHL HO H 12.488 1.276 0.144 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 4 . 934 . 1 1 17 PHL HZ H 8.614 7.770 -3.757 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 4 . 935 . 1 1 17 PHL N N 10.788 2.702 -1.036 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 4 . 936 . 1 1 17 PHL O O 12.949 1.846 0.766 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
. 5 . 937 . 1 1 1 ACE C C -11.663 -1.626 -0.859 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 5 . 938 . 1 1 1 ACE CH3 C -12.606 -2.829 -0.896 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 5 . 939 . 1 1 1 ACE H1 H -13.664 -2.529 -1.020 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 5 . 940 . 1 1 1 ACE H2 H -12.354 -3.500 -1.738 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 5 . 941 . 1 1 1 ACE H3 H -12.528 -3.421 0.035 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 5 . 942 . 1 1 1 ACE O O -10.586 -1.664 -1.462 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 5 . 943 . 1 1 2 TRP C C -10.026 0.341 1.142 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 5 . 944 . 1 1 2 TRP CA C -11.200 0.609 0.150 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 5 . 945 . 1 1 2 TRP CB C -12.013 1.839 0.639 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 5 . 946 . 1 1 2 TRP CD1 C -12.883 2.996 -1.558 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 5 . 947 . 1 1 2 TRP CD2 C -14.465 2.384 -0.116 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 5 . 948 . 1 1 2 TRP CE2 C -15.060 3.023 -1.231 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 5 . 949 . 1 1 2 TRP CE3 C -15.265 1.926 0.963 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 5 . 950 . 1 1 2 TRP CG C -13.096 2.365 -0.312 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 5 . 951 . 1 1 2 TRP CH2 C -17.233 2.771 -0.197 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 5 . 952 . 1 1 2 TRP CZ2 C -16.462 3.225 -1.270 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 5 . 953 . 1 1 2 TRP CZ3 C -16.645 2.130 0.899 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 5 . 954 . 1 1 2 TRP H H -12.965 -0.720 0.369 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 5 . 955 . 1 1 2 TRP HA H -10.742 0.905 -0.817 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 5 . 956 . 1 1 2 TRP HB2 H -12.454 1.625 1.633 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 5 . 957 . 1 1 2 TRP HB3 H -11.318 2.682 0.832 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 5 . 958 . 1 1 2 TRP HD1 H -11.912 3.163 -2.002 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 5 . 959 . 1 1 2 TRP HE1 H -14.226 3.907 -3.034 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 5 . 960 . 1 1 2 TRP HE3 H -14.824 1.438 1.819 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 5 . 961 . 1 1 2 TRP HH2 H -18.303 2.924 -0.210 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 5 . 962 . 1 1 2 TRP HZ2 H -16.928 3.730 -2.103 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 5 . 963 . 1 1 2 TRP HZ3 H -17.265 1.794 1.718 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 5 . 964 . 1 1 2 TRP N N -12.062 -0.589 -0.104 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 5 . 965 . 1 1 2 TRP NE1 N -14.093 3.407 -2.148 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 5 . 966 . 1 1 2 TRP O O -8.915 0.812 0.888 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 5 . 967 . 1 1 3 ILE C C -8.339 -2.096 2.478 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 5 . 968 . 1 1 3 ILE CA C -9.147 -0.915 3.121 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 5 . 969 . 1 1 3 ILE CB C -9.619 -1.230 4.592 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 5 . 970 . 1 1 3 ILE CD1 C -11.981 -0.495 5.378 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 5 . 971 . 1 1 3 ILE CG1 C -10.494 -0.119 5.269 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 5 . 972 . 1 1 3 ILE CG2 C -8.441 -1.562 5.546 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 5 . 973 . 1 1 3 ILE H H -11.216 -0.742 2.348 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 5 . 974 . 1 1 3 ILE HA H -8.422 -0.081 3.180 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 5 . 975 . 1 1 3 ILE HB H -10.218 -2.160 4.541 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 5 . 976 . 1 1 3 ILE HD11 H -12.119 -1.411 5.985 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 5 . 977 . 1 1 3 ILE HD12 H -12.563 0.310 5.866 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 5 . 978 . 1 1 3 ILE HD13 H -12.434 -0.679 4.384 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 5 . 979 . 1 1 3 ILE HG12 H -10.145 0.122 6.293 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 5 . 980 . 1 1 3 ILE HG13 H -10.399 0.840 4.722 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 5 . 981 . 1 1 3 ILE HG21 H -7.730 -0.720 5.622 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 5 . 982 . 1 1 3 ILE HG22 H -8.793 -1.793 6.569 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 5 . 983 . 1 1 3 ILE HG23 H -7.872 -2.450 5.214 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 5 . 984 . 1 1 3 ILE N N -10.250 -0.414 2.244 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 5 . 985 . 1 1 3 ILE O O -7.136 -2.165 2.734 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 5 . 986 . 1 1 4 GLN C C -7.107 -3.225 -0.168 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 5 . 987 . 1 1 4 GLN CA C -8.129 -3.919 0.781 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 5 . 988 . 1 1 4 GLN CB C -9.042 -4.869 -0.040 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 5 . 989 . 1 1 4 GLN CD C -8.829 -7.082 1.279 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 5 . 990 . 1 1 4 GLN CG C -9.768 -5.982 0.750 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 5 . 991 . 1 1 4 GLN H H -9.924 -2.826 1.469 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 5 . 992 . 1 1 4 GLN HA H -7.523 -4.548 1.464 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 5 . 993 . 1 1 4 GLN HB2 H -9.793 -4.269 -0.587 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 5 . 994 . 1 1 4 GLN HB3 H -8.454 -5.361 -0.841 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 5 . 995 . 1 1 4 GLN HE21 H -9.317 -6.630 3.166 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 5 . 996 . 1 1 4 GLN HE22 H -8.082 -7.965 2.916 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 5 . 997 . 1 1 4 GLN HG2 H -10.382 -5.536 1.556 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 5 . 998 . 1 1 4 GLN HG3 H -10.498 -6.465 0.074 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 5 . 999 . 1 1 4 GLN N N -8.923 -2.983 1.638 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 5 . 1000 . 1 1 4 GLN NE2 N -8.728 -7.238 2.588 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 5 . 1001 . 1 1 4 GLN O O -5.956 -3.670 -0.209 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 5 . 1002 . 1 1 4 GLN OE1 O -8.186 -7.800 0.513 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 5 . 1003 . 1 1 5 . C C -5.458 -0.637 -0.828 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 5 . 1004 . 1 1 5 . CA C -6.601 -1.288 -1.708 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 5 . 1005 . 1 1 5 . CB1 C -6.029 -2.134 -2.891 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 5 . 1006 . 1 1 5 . CB2 C -7.483 -0.130 -2.266 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 5 . 1007 . 1 1 5 . CG1 C -6.946 -2.646 -4.021 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 5 . 1008 . 1 1 5 . H2 H -8.426 -1.785 -0.688 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 5 . 1009 . 1 1 5 . HB11 H -5.245 -1.524 -3.329 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 5 . 1010 . 1 1 5 . HB12 H -5.485 -3.013 -2.506 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 5 . 1011 . 1 1 5 . HB21 H -7.933 0.486 -1.466 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 5 . 1012 . 1 1 5 . HB22 H -6.898 0.557 -2.903 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 5 . 1013 . 1 1 5 . HB23 H -8.330 -0.492 -2.878 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 5 . 1014 . 1 1 5 . HG11 H -7.417 -1.817 -4.579 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 5 . 1015 . 1 1 5 . HG12 H -6.365 -3.237 -4.750 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 5 . 1016 . 1 1 5 . HG13 H -7.751 -3.299 -3.635 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 5 . 1017 . 1 1 5 . N N -7.502 -2.152 -0.899 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 5 . 1018 . 1 1 5 . O O -4.273 -0.757 -1.163 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 5 . 1019 . 1 1 6 ILE C C -3.834 -0.568 1.945 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 5 . 1020 . 1 1 6 ILE CA C -4.763 0.520 1.289 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 5 . 1021 . 1 1 6 ILE CB C -5.419 1.546 2.295 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 5 . 1022 . 1 1 6 ILE CD1 C -5.192 4.039 3.122 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 5 . 1023 . 1 1 6 ILE CG1 C -4.564 2.845 2.385 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 5 . 1024 . 1 1 6 ILE CG2 C -5.737 0.989 3.708 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 5 . 1025 . 1 1 6 ILE H H -6.787 0.012 0.543 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 5 . 1026 . 1 1 6 ILE HA H -4.068 1.095 0.646 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 5 . 1027 . 1 1 6 ILE HB H -6.408 1.852 1.896 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 5 . 1028 . 1 1 6 ILE HD11 H -5.351 3.826 4.194 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 5 . 1029 . 1 1 6 ILE HD12 H -4.534 4.926 3.063 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 5 . 1030 . 1 1 6 ILE HD13 H -6.166 4.325 2.686 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 5 . 1031 . 1 1 6 ILE HG12 H -3.581 2.617 2.840 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 5 . 1032 . 1 1 6 ILE HG13 H -4.328 3.196 1.363 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 5 . 1033 . 1 1 6 ILE HG21 H -4.822 0.839 4.312 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 5 . 1034 . 1 1 6 ILE HG22 H -6.400 1.664 4.278 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 5 . 1035 . 1 1 6 ILE HG23 H -6.242 0.012 3.657 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 5 . 1036 . 1 1 6 ILE N N -5.785 0.008 0.323 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 5 . 1037 . 1 1 6 ILE O O -2.734 -0.225 2.382 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 5 . 1038 . 1 1 7 THR C C -2.491 -3.542 1.447 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 5 . 1039 . 1 1 7 THR CA C -3.480 -2.991 2.509 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 5 . 1040 . 1 1 7 THR CB C -4.433 -4.050 3.146 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 5 . 1041 . 1 1 7 THR CG2 C -3.770 -5.340 3.661 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 5 . 1042 . 1 1 7 THR H H -5.189 -1.990 1.565 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 5 . 1043 . 1 1 7 THR HA H -2.843 -2.617 3.321 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 5 . 1044 . 1 1 7 THR HB H -5.200 -4.346 2.406 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 5 . 1045 . 1 1 7 THR HG1 H -5.495 -2.653 3.934 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 5 . 1046 . 1 1 7 THR HG21 H -4.507 -5.994 4.164 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 5 . 1047 . 1 1 7 THR HG22 H -3.331 -5.932 2.838 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 5 . 1048 . 1 1 7 THR HG23 H -2.965 -5.133 4.390 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 5 . 1049 . 1 1 7 THR N N -4.277 -1.841 2.010 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 5 . 1050 . 1 1 7 THR O O -1.323 -3.701 1.801 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 5 . 1051 . 1 1 7 THR OG1 O -5.103 -3.467 4.260 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 5 . 1052 . 1 1 8 ABA C C -0.835 -3.026 -1.196 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 5 . 1053 . 1 1 8 ABA CA C -1.952 -4.121 -0.949 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 5 . 1054 . 1 1 8 ABA N N -2.899 -3.806 0.182 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 5 . 1055 . 1 1 8 ABA O O 0.329 -3.336 -1.474 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 5 . 1056 . 1 1 9 LEU C C 0.488 -0.197 0.112 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 5 . 1057 . 1 1 9 LEU CA C -0.287 -0.577 -1.194 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 5 . 1058 . 1 1 9 LEU CB C -1.108 0.604 -1.785 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 5 . 1059 . 1 1 9 LEU CD1 C -2.749 1.175 -3.700 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 5 . 1060 . 1 1 9 LEU CD2 C -0.266 1.018 -4.172 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 5 . 1061 . 1 1 9 LEU CG C -1.428 0.486 -3.309 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 5 . 1062 . 1 1 9 LEU H H -2.188 -1.607 -0.807 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 5 . 1063 . 1 1 9 LEU HA H 0.497 -0.805 -1.937 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 5 . 1064 . 1 1 9 LEU HB2 H -2.039 0.724 -1.199 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 5 . 1065 . 1 1 9 LEU HB3 H -0.567 1.551 -1.611 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 5 . 1066 . 1 1 9 LEU HD11 H -2.746 2.256 -3.468 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 5 . 1067 . 1 1 9 LEU HD12 H -2.954 1.070 -4.783 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 5 . 1068 . 1 1 9 LEU HD13 H -3.614 0.727 -3.178 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 5 . 1069 . 1 1 9 LEU HD21 H 0.687 0.511 -3.935 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 5 . 1070 . 1 1 9 LEU HD22 H -0.449 0.871 -5.254 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 5 . 1071 . 1 1 9 LEU HD23 H -0.106 2.102 -4.010 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 5 . 1072 . 1 1 9 LEU HG H -1.568 -0.583 -3.553 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 5 . 1073 . 1 1 9 LEU N N -1.210 -1.737 -1.086 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 5 . 1074 . 1 1 9 LEU O O 1.447 0.575 -0.004 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 5 . 1075 . 1 1 10 ABA C C 2.422 -1.134 2.427 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 5 . 1076 . 1 1 10 ABA CA C 0.936 -0.581 2.583 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 5 . 1077 . 1 1 10 ABA N N 0.139 -0.730 1.318 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 5 . 1078 . 1 1 10 ABA O O 3.342 -0.344 2.660 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 5 . 1079 . 1 1 11 HYP C C 4.736 -2.113 0.279 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 5 . 1080 . 1 1 11 HYP CA C 4.136 -2.781 1.567 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 5 . 1081 . 1 1 11 HYP CB C 4.031 -4.315 1.440 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 5 . 1082 . 1 1 11 HYP CD C 1.809 -3.509 1.808 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 5 . 1083 . 1 1 11 HYP CG C 2.583 -4.572 1.031 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 5 . 1084 . 1 1 11 HYP HA H 4.829 -2.563 2.399 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 5 . 1085 . 1 1 11 HYP HB2 H 4.753 -4.751 0.725 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 5 . 1086 . 1 1 11 HYP HB3 H 4.239 -4.794 2.415 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 5 . 1087 . 1 1 11 HYP HD1 H 1.732 -5.799 2.244 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 5 . 1088 . 1 1 11 HYP HD22 H 0.917 -3.217 1.239 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 5 . 1089 . 1 1 11 HYP HD23 H 1.497 -3.892 2.801 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 5 . 1090 . 1 1 11 HYP HG H 2.470 -4.412 -0.058 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 5 . 1091 . 1 1 11 HYP N N 2.756 -2.394 1.980 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 5 . 1092 . 1 1 11 HYP O O 5.939 -2.285 0.050 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 5 . 1093 . 1 1 11 HYP OD1 O 2.140 -5.877 1.379 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 5 . 1094 . 1 1 12 GLN C C 4.800 1.054 -1.133 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 5 . 1095 . 1 1 12 GLN CA C 4.528 -0.424 -1.562 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 5 . 1096 . 1 1 12 GLN CB C 3.624 -0.464 -2.825 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 5 . 1097 . 1 1 12 GLN CD C 2.650 -1.833 -4.777 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 5 . 1098 . 1 1 12 GLN CG C 3.320 -1.865 -3.393 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 5 . 1099 . 1 1 12 GLN H H 3.020 -1.127 -0.177 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 5 . 1100 . 1 1 12 GLN HA H 5.524 -0.802 -1.835 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 5 . 1101 . 1 1 12 GLN HB2 H 2.670 0.056 -2.621 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 5 . 1102 . 1 1 12 GLN HB3 H 4.111 0.138 -3.611 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 5 . 1103 . 1 1 12 GLN HE21 H 1.056 -2.826 -4.083 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 5 . 1104 . 1 1 12 GLN HE22 H 1.059 -2.351 -5.861 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 5 . 1105 . 1 1 12 GLN HG2 H 4.260 -2.445 -3.455 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 5 . 1106 . 1 1 12 GLN HG3 H 2.693 -2.396 -2.643 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 5 . 1107 . 1 1 12 GLN N N 3.970 -1.312 -0.502 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 5 . 1108 . 1 1 12 GLN NE2 N 1.459 -2.384 -4.915 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 5 . 1109 . 1 1 12 GLN O O 5.095 1.862 -2.014 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 5 . 1110 . 1 1 12 GLN OE1 O 3.201 -1.318 -5.750 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 5 . 1111 . 1 1 13 ABA C C 7.071 1.977 1.041 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 5 . 1112 . 1 1 13 ABA CA C 5.570 2.497 0.814 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 5 . 1113 . 1 1 13 ABA N N 4.773 1.395 0.179 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 5 . 1114 . 1 1 13 ABA O O 7.988 2.539 0.419 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 5 . 1115 . 1 1 14 HYP C C 9.532 -0.204 0.763 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 5 . 1116 . 1 1 14 HYP CA C 8.816 0.422 1.996 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 5 . 1117 . 1 1 14 HYP CB C 8.757 -0.564 3.180 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 5 . 1118 . 1 1 14 HYP CD C 6.473 0.090 2.602 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 5 . 1119 . 1 1 14 HYP CG C 7.286 -0.909 3.423 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 5 . 1120 . 1 1 14 HYP HA H 9.428 1.284 2.329 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 5 . 1121 . 1 1 14 HYP HB2 H 9.334 -1.490 2.993 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 5 . 1122 . 1 1 14 HYP HB3 H 9.205 -0.103 4.080 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 5 . 1123 . 1 1 14 HYP HD1 H 7.201 0.095 5.055 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 5 . 1124 . 1 1 14 HYP HD22 H 5.799 -0.437 1.921 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 5 . 1125 . 1 1 14 HYP HD23 H 5.846 0.703 3.250 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 5 . 1126 . 1 1 14 HYP HG H 7.070 -1.941 3.085 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 5 . 1127 . 1 1 14 HYP N N 7.421 0.904 1.833 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 5 . 1128 . 1 1 14 HYP O O 10.736 0.031 0.637 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 5 . 1129 . 1 1 14 HYP OD1 O 6.970 -0.803 4.807 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 5 . 1130 . 1 1 15 ABA C C 10.128 -0.572 -2.317 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 5 . 1131 . 1 1 15 ABA CA C 9.476 -1.627 -1.324 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 5 . 1132 . 1 1 15 ABA N N 8.857 -1.002 -0.109 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 5 . 1133 . 1 1 15 ABA O O 11.283 -0.784 -2.712 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 5 . 1134 . 1 1 16 PRO C C 11.199 2.554 -2.303 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 5 . 1135 . 1 1 16 PRO CA C 10.287 1.743 -3.269 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 5 . 1136 . 1 1 16 PRO CB C 9.196 2.596 -3.939 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 5 . 1137 . 1 1 16 PRO CD C 8.102 0.922 -2.514 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 5 . 1138 . 1 1 16 PRO CG C 7.904 2.287 -3.184 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 5 . 1139 . 1 1 16 PRO HA H 10.958 1.361 -4.042 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 5 . 1140 . 1 1 16 PRO HB2 H 9.421 3.679 -3.939 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 5 . 1141 . 1 1 16 PRO HB3 H 9.083 2.309 -5.003 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 5 . 1142 . 1 1 16 PRO HD2 H 7.844 0.992 -1.449 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 5 . 1143 . 1 1 16 PRO HD3 H 7.443 0.143 -2.922 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 5 . 1144 . 1 1 16 PRO HG2 H 7.732 3.059 -2.412 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 5 . 1145 . 1 1 16 PRO HG3 H 7.024 2.306 -3.853 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 5 . 1146 . 1 1 16 PRO N N 9.526 0.599 -2.704 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 5 . 1147 . 1 1 16 PRO O O 12.195 3.109 -2.777 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 5 . 1148 . 1 1 17 PHL C C 11.998 3.046 1.198 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 5 . 1149 . 1 1 17 PHL CA C 11.474 3.676 -0.108 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 5 . 1150 . 1 1 17 PHL CB C 10.454 4.810 0.181 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 5 . 1151 . 1 1 17 PHL CD1 C 10.897 6.267 -1.875 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 5 . 1152 . 1 1 17 PHL CD2 C 8.611 5.700 -1.349 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 5 . 1153 . 1 1 17 PHL CE1 C 10.467 6.943 -3.014 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 5 . 1154 . 1 1 17 PHL CE2 C 8.181 6.382 -2.485 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 5 . 1155 . 1 1 17 PHL CG C 9.973 5.633 -1.038 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 5 . 1156 . 1 1 17 PHL CZ C 9.110 7.004 -3.315 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 5 . 1157 . 1 1 17 PHL H2 H 9.983 2.160 -0.771 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 5 . 1158 . 1 1 17 PHL HA H 12.358 4.148 -0.580 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 5 . 1159 . 1 1 17 PHL HB2 H 9.594 4.356 0.707 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 5 . 1160 . 1 1 17 PHL HB3 H 10.894 5.512 0.910 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 5 . 1161 . 1 1 17 PHL HC1 H 11.185 2.578 1.781 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 5 . 1162 . 1 1 17 PHL HC2 H 12.420 3.837 1.848 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 5 . 1163 . 1 1 17 PHL HD1 H 11.955 6.205 -1.668 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 5 . 1164 . 1 1 17 PHL HD2 H 7.882 5.207 -0.725 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 5 . 1165 . 1 1 17 PHL HE1 H 11.190 7.409 -3.667 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 5 . 1166 . 1 1 17 PHL HE2 H 7.128 6.423 -2.726 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 5 . 1167 . 1 1 17 PHL HO H 13.674 2.212 1.635 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 5 . 1168 . 1 1 17 PHL HZ H 8.779 7.534 -4.196 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 5 . 1169 . 1 1 17 PHL N N 10.853 2.665 -1.007 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 5 . 1170 . 1 1 17 PHL O O 13.021 2.092 0.940 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
. 6 . 1171 . 1 1 1 ACE C C -11.682 -1.803 -1.052 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 6 . 1172 . 1 1 1 ACE CH3 C -12.607 -3.014 -1.049 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 6 . 1173 . 1 1 1 ACE H1 H -13.664 -2.742 -1.225 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 6 . 1174 . 1 1 1 ACE H2 H -12.314 -3.734 -1.834 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 6 . 1175 . 1 1 1 ACE H3 H -12.551 -3.547 -0.081 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 6 . 1176 . 1 1 1 ACE O O -10.580 -1.874 -1.598 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 6 . 1177 . 1 1 2 TRP C C -10.170 0.186 1.006 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 6 . 1178 . 1 1 2 TRP CA C -11.238 0.454 -0.099 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 6 . 1179 . 1 1 2 TRP CB C -12.057 1.745 0.213 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 6 . 1180 . 1 1 2 TRP CD1 C -11.425 3.063 -1.993 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 6 . 1181 . 1 1 2 TRP CD2 C -13.376 3.609 -1.074 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 6 . 1182 . 1 1 2 TRP CE2 C -13.098 4.476 -2.164 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 6 . 1183 . 1 1 2 TRP CE3 C -14.518 3.827 -0.262 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 6 . 1184 . 1 1 2 TRP CG C -12.325 2.712 -0.956 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 6 . 1185 . 1 1 2 TRP CH2 C -15.064 5.776 -1.618 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 6 . 1186 . 1 1 2 TRP CZ2 C -13.946 5.580 -2.427 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 6 . 1187 . 1 1 2 TRP CZ3 C -15.350 4.908 -0.554 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 6 . 1188 . 1 1 2 TRP H H -13.072 -0.790 -0.022 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 6 . 1189 . 1 1 2 TRP HA H -10.647 0.646 -1.014 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 6 . 1190 . 1 1 2 TRP HB2 H -13.007 1.480 0.716 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 6 . 1191 . 1 1 2 TRP HB3 H -11.535 2.351 0.978 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 6 . 1192 . 1 1 2 TRP HD1 H -10.449 2.621 -2.136 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 6 . 1193 . 1 1 2 TRP HE1 H -11.411 4.635 -3.518 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 6 . 1194 . 1 1 2 TRP HE3 H -14.737 3.184 0.579 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 6 . 1195 . 1 1 2 TRP HH2 H -15.711 6.620 -1.801 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 6 . 1196 . 1 1 2 TRP HZ2 H -13.720 6.276 -3.224 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 6 . 1197 . 1 1 2 TRP HZ3 H -16.217 5.092 0.062 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 6 . 1198 . 1 1 2 TRP N N -12.122 -0.713 -0.401 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 6 . 1199 . 1 1 2 TRP NE1 N -11.899 4.137 -2.766 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 6 . 1200 . 1 1 2 TRP O O -9.017 0.585 0.820 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 6 . 1201 . 1 1 3 ILE C C -8.528 -2.075 2.587 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 6 . 1202 . 1 1 3 ILE CA C -9.507 -0.973 3.118 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 6 . 1203 . 1 1 3 ILE CB C -10.133 -1.308 4.523 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 6 . 1204 . 1 1 3 ILE CD1 C -10.622 -3.852 4.887 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 6 . 1205 . 1 1 3 ILE CG1 C -11.187 -2.463 4.554 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 6 . 1206 . 1 1 3 ILE CG2 C -10.709 -0.044 5.208 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 6 . 1207 . 1 1 3 ILE H H -11.499 -0.792 2.159 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 6 . 1208 . 1 1 3 ILE HA H -8.834 -0.109 3.281 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 6 . 1209 . 1 1 3 ILE HB H -9.292 -1.602 5.183 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 6 . 1210 . 1 1 3 ILE HD11 H -10.203 -3.882 5.910 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 6 . 1211 . 1 1 3 ILE HD12 H -11.415 -4.622 4.840 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 6 . 1212 . 1 1 3 ILE HD13 H -9.823 -4.166 4.192 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 6 . 1213 . 1 1 3 ILE HG12 H -11.976 -2.262 5.303 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 6 . 1214 . 1 1 3 ILE HG13 H -11.732 -2.513 3.594 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 6 . 1215 . 1 1 3 ILE HG21 H -11.600 0.347 4.680 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 6 . 1216 . 1 1 3 ILE HG22 H -11.015 -0.248 6.252 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 6 . 1217 . 1 1 3 ILE HG23 H -9.969 0.777 5.251 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 6 . 1218 . 1 1 3 ILE N N -10.517 -0.490 2.122 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 6 . 1219 . 1 1 3 ILE O O -7.339 -2.012 2.901 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 6 . 1220 . 1 1 4 GLN C C -7.127 -3.137 -0.024 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 6 . 1221 . 1 1 4 GLN CA C -8.128 -3.889 0.902 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 6 . 1222 . 1 1 4 GLN CB C -9.018 -4.878 0.088 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 6 . 1223 . 1 1 4 GLN CD C -7.955 -7.231 0.211 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 6 . 1224 . 1 1 4 GLN CG C -9.118 -6.317 0.647 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 6 . 1225 . 1 1 4 GLN H H -10.002 -2.956 1.564 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 6 . 1226 . 1 1 4 GLN HA H -7.496 -4.473 1.597 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 6 . 1227 . 1 1 4 GLN HB2 H -10.047 -4.484 -0.018 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 6 . 1228 . 1 1 4 GLN HB3 H -8.686 -4.945 -0.965 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 6 . 1229 . 1 1 4 GLN HE21 H -7.291 -7.403 2.102 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 6 . 1230 . 1 1 4 GLN HE22 H -6.355 -8.279 0.793 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 6 . 1231 . 1 1 4 GLN HG2 H -9.245 -6.297 1.749 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 6 . 1232 . 1 1 4 GLN HG3 H -10.051 -6.777 0.270 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 6 . 1233 . 1 1 4 GLN N N -8.996 -3.018 1.742 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 6 . 1234 . 1 1 4 GLN NE2 N -7.100 -7.658 1.126 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 6 . 1235 . 1 1 4 GLN O O -5.962 -3.533 -0.051 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 6 . 1236 . 1 1 4 GLN OE1 O -7.822 -7.574 -0.964 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 6 . 1237 . 1 1 5 . C C -5.504 -0.548 -0.883 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 6 . 1238 . 1 1 5 . CA C -6.697 -1.251 -1.660 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 6 . 1239 . 1 1 5 . CB1 C -6.188 -2.153 -2.834 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 6 . 1240 . 1 1 5 . CB2 C -7.603 -0.121 -2.245 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 6 . 1241 . 1 1 5 . CG1 C -7.171 -2.700 -3.889 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 6 . 1242 . 1 1 5 . H2 H -8.511 -1.781 -0.597 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 6 . 1243 . 1 1 5 . HB11 H -5.421 -1.576 -3.343 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 6 . 1244 . 1 1 5 . HB12 H -5.626 -3.014 -2.437 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 6 . 1245 . 1 1 5 . HB21 H -7.992 0.563 -1.470 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 6 . 1246 . 1 1 5 . HB22 H -7.056 0.512 -2.970 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 6 . 1247 . 1 1 5 . HB23 H -8.493 -0.509 -2.775 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 6 . 1248 . 1 1 5 . HG11 H -7.642 -1.890 -4.475 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 6 . 1249 . 1 1 5 . HG12 H -6.646 -3.350 -4.612 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 6 . 1250 . 1 1 5 . HG13 H -7.979 -3.298 -3.428 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 6 . 1251 . 1 1 5 . N N -7.556 -2.083 -0.765 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 6 . 1252 . 1 1 5 . O O -4.339 -0.646 -1.284 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 6 . 1253 . 1 1 6 ILE C C -3.838 -0.378 1.839 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 6 . 1254 . 1 1 6 ILE CA C -4.761 0.714 1.168 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 6 . 1255 . 1 1 6 ILE CB C -5.452 1.692 2.193 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 6 . 1256 . 1 1 6 ILE CD1 C -7.446 3.350 2.367 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 6 . 1257 . 1 1 6 ILE CG1 C -6.249 2.866 1.531 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 6 . 1258 . 1 1 6 ILE CG2 C -4.479 2.323 3.228 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 6 . 1259 . 1 1 6 ILE H H -6.792 0.141 0.495 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 6 . 1260 . 1 1 6 ILE HA H -4.089 1.334 0.542 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 6 . 1261 . 1 1 6 ILE HB H -6.168 1.077 2.772 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 6 . 1262 . 1 1 6 ILE HD11 H -7.140 3.706 3.367 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 6 . 1263 . 1 1 6 ILE HD12 H -7.973 4.185 1.871 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 6 . 1264 . 1 1 6 ILE HD13 H -8.181 2.539 2.517 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 6 . 1265 . 1 1 6 ILE HG12 H -5.580 3.721 1.308 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 6 . 1266 . 1 1 6 ILE HG13 H -6.645 2.576 0.540 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 6 . 1267 . 1 1 6 ILE HG21 H -3.668 2.894 2.739 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 6 . 1268 . 1 1 6 ILE HG22 H -4.996 3.023 3.912 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 6 . 1269 . 1 1 6 ILE HG23 H -4.005 1.562 3.874 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 6 . 1270 . 1 1 6 ILE N N -5.795 0.131 0.253 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 6 . 1271 . 1 1 6 ILE O O -2.667 -0.087 2.087 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 6 . 1272 . 1 1 7 THR C C -2.542 -3.345 1.501 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 6 . 1273 . 1 1 7 THR CA C -3.524 -2.768 2.566 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 6 . 1274 . 1 1 7 THR CB C -4.450 -3.823 3.244 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 6 . 1275 . 1 1 7 THR CG2 C -3.741 -5.065 3.818 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 6 . 1276 . 1 1 7 THR H H -5.328 -1.712 1.854 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 6 . 1277 . 1 1 7 THR HA H -2.875 -2.385 3.367 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 6 . 1278 . 1 1 7 THR HB H -5.203 -4.173 2.514 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 6 . 1279 . 1 1 7 THR HG1 H -5.470 -2.378 3.993 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 6 . 1280 . 1 1 7 THR HG21 H -4.450 -5.724 4.353 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 6 . 1281 . 1 1 7 THR HG22 H -3.277 -5.676 3.021 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 6 . 1282 . 1 1 7 THR HG23 H -2.943 -4.790 4.533 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 6 . 1283 . 1 1 7 THR N N -4.338 -1.610 2.095 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 6 . 1284 . 1 1 7 THR O O -1.381 -3.533 1.860 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 6 . 1285 . 1 1 7 THR OG1 O -5.140 -3.214 4.332 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 6 . 1286 . 1 1 8 ABA C C -0.866 -2.768 -1.109 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 6 . 1287 . 1 1 8 ABA CA C -1.988 -3.870 -0.907 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 6 . 1288 . 1 1 8 ABA N N -2.944 -3.587 0.229 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 6 . 1289 . 1 1 8 ABA O O 0.300 -3.074 -1.372 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 6 . 1290 . 1 1 9 LEU C C 0.562 -0.080 0.259 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 6 . 1291 . 1 1 9 LEU CA C -0.312 -0.326 -1.019 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 6 . 1292 . 1 1 9 LEU CB C -1.145 0.923 -1.427 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 6 . 1293 . 1 1 9 LEU CD1 C -2.792 1.920 -3.136 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 6 . 1294 . 1 1 9 LEU CD2 C -0.441 1.360 -3.860 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 6 . 1295 . 1 1 9 LEU CG C -1.599 0.970 -2.919 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 6 . 1296 . 1 1 9 LEU H H -2.226 -1.358 -0.692 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 6 . 1297 . 1 1 9 LEU HA H 0.411 -0.495 -1.838 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 6 . 1298 . 1 1 9 LEU HB2 H -2.022 0.999 -0.756 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 6 . 1299 . 1 1 9 LEU HB3 H -0.563 1.837 -1.214 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 6 . 1300 . 1 1 9 LEU HD11 H -2.555 2.962 -2.848 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 6 . 1301 . 1 1 9 LEU HD12 H -3.109 1.936 -4.197 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 6 . 1302 . 1 1 9 LEU HD13 H -3.678 1.610 -2.551 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 6 . 1303 . 1 1 9 LEU HD21 H 0.415 0.668 -3.775 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 6 . 1304 . 1 1 9 LEU HD22 H -0.750 1.349 -4.922 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 6 . 1305 . 1 1 9 LEU HD23 H -0.058 2.374 -3.638 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 6 . 1306 . 1 1 9 LEU HG H -1.949 -0.034 -3.217 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 6 . 1307 . 1 1 9 LEU N N -1.246 -1.481 -0.968 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 6 . 1308 . 1 1 9 LEU O O 1.548 0.652 0.140 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 6 . 1309 . 1 1 10 ABA C C 2.541 -1.198 2.486 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 6 . 1310 . 1 1 10 ABA CA C 1.078 -0.604 2.696 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 6 . 1311 . 1 1 10 ABA N N 0.249 -0.672 1.446 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 6 . 1312 . 1 1 10 ABA O O 3.490 -0.451 2.735 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 6 . 1313 . 1 1 11 HYP C C 4.743 -2.112 0.203 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 6 . 1314 . 1 1 11 HYP CA C 4.178 -2.836 1.473 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 6 . 1315 . 1 1 11 HYP CB C 4.045 -4.358 1.277 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 6 . 1316 . 1 1 11 HYP CD C 1.857 -3.546 1.851 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 6 . 1317 . 1 1 11 HYP CG C 2.562 -4.607 1.007 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 6 . 1318 . 1 1 11 HYP HA H 4.909 -2.673 2.285 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 6 . 1319 . 1 1 11 HYP HB2 H 4.687 -4.762 0.471 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 6 . 1320 . 1 1 11 HYP HB3 H 4.352 -4.884 2.200 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 6 . 1321 . 1 1 11 HYP HD1 H 1.214 -5.883 1.515 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 6 . 1322 . 1 1 11 HYP HD22 H 0.927 -3.237 1.356 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 6 . 1323 . 1 1 11 HYP HD23 H 1.612 -3.938 2.859 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 6 . 1324 . 1 1 11 HYP HG H 2.340 -4.454 -0.068 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 6 . 1325 . 1 1 11 HYP N N 2.824 -2.444 1.969 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 6 . 1326 . 1 1 11 HYP O O 5.930 -2.311 -0.087 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 6 . 1327 . 1 1 11 HYP OD1 O 2.167 -5.914 1.405 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 6 . 1328 . 1 1 12 GLN C C 4.823 1.144 -1.012 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 6 . 1329 . 1 1 12 GLN CA C 4.522 -0.304 -1.516 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 6 . 1330 . 1 1 12 GLN CB C 3.585 -0.259 -2.753 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 6 . 1331 . 1 1 12 GLN CD C 2.503 -1.491 -4.733 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 6 . 1332 . 1 1 12 GLN CG C 3.249 -1.621 -3.390 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 6 . 1333 . 1 1 12 GLN H H 3.044 -1.055 -0.119 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 6 . 1334 . 1 1 12 GLN HA H 5.504 -0.684 -1.843 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 6 . 1335 . 1 1 12 GLN HB2 H 2.644 0.261 -2.500 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 6 . 1336 . 1 1 12 GLN HB3 H 4.063 0.376 -3.518 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 6 . 1337 . 1 1 12 GLN HE21 H 0.943 -2.526 -4.014 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 6 . 1338 . 1 1 12 GLN HE22 H 0.865 -1.963 -5.762 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 6 . 1339 . 1 1 12 GLN HG2 H 4.182 -2.193 -3.544 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 6 . 1340 . 1 1 12 GLN HG3 H 2.661 -2.200 -2.646 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 6 . 1341 . 1 1 12 GLN N N 3.977 -1.240 -0.491 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 6 . 1342 . 1 1 12 GLN NE2 N 1.308 -2.043 -4.840 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 6 . 1343 . 1 1 12 GLN O O 5.069 2.009 -1.855 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 6 . 1344 . 1 1 12 GLN OE1 O 2.991 -0.893 -5.689 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 6 . 1345 . 1 1 13 ABA C C 7.211 1.873 1.118 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 6 . 1346 . 1 1 13 ABA CA C 5.718 2.445 0.978 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 6 . 1347 . 1 1 13 ABA N N 4.870 1.402 0.316 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 6 . 1348 . 1 1 13 ABA O O 8.121 2.434 0.488 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 6 . 1349 . 1 1 14 HYP C C 9.588 -0.354 0.634 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 6 . 1350 . 1 1 14 HYP CA C 8.934 0.217 1.928 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 6 . 1351 . 1 1 14 HYP CB C 8.879 -0.838 3.053 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 6 . 1352 . 1 1 14 HYP CD C 6.608 -0.081 2.593 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 6 . 1353 . 1 1 14 HYP CG C 7.408 -1.168 3.309 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 6 . 1354 . 1 1 14 HYP HA H 9.584 1.036 2.290 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 6 . 1355 . 1 1 14 HYP HB2 H 9.435 -1.761 2.795 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 6 . 1356 . 1 1 14 HYP HB3 H 9.357 -0.439 3.970 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 6 . 1357 . 1 1 14 HYP HD1 H 7.389 -0.308 5.027 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 6 . 1358 . 1 1 14 HYP HD22 H 5.887 -0.538 1.908 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 6 . 1359 . 1 1 14 HYP HD23 H 6.032 0.508 3.308 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 6 . 1360 . 1 1 14 HYP HG H 7.163 -2.161 2.891 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 6 . 1361 . 1 1 14 HYP N N 7.553 0.752 1.843 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 6 . 1362 . 1 1 14 HYP O O 10.794 -0.153 0.482 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 6 . 1363 . 1 1 14 HYP OD1 O 7.127 -1.174 4.705 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 6 . 1364 . 1 1 15 ABA C C 10.048 -0.549 -2.499 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 6 . 1365 . 1 1 15 ABA CA C 9.430 -1.647 -1.528 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 6 . 1366 . 1 1 15 ABA N N 8.860 -1.075 -0.263 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 6 . 1367 . 1 1 15 ABA O O 11.195 -0.740 -2.925 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 6 . 1368 . 1 1 16 PRO C C 11.152 2.538 -2.454 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 6 . 1369 . 1 1 16 PRO CA C 10.172 1.790 -3.401 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 6 . 1370 . 1 1 16 PRO CB C 9.062 2.687 -3.978 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 6 . 1371 . 1 1 16 PRO CD C 8.026 0.968 -2.557 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 6 . 1372 . 1 1 16 PRO CG C 7.814 2.364 -3.161 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 6 . 1373 . 1 1 16 PRO HA H 10.792 1.427 -4.224 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 6 . 1374 . 1 1 16 PRO HB2 H 9.306 3.765 -3.947 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 6 . 1375 . 1 1 16 PRO HB3 H 8.886 2.445 -5.042 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 6 . 1376 . 1 1 16 PRO HD2 H 7.831 1.001 -1.477 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 6 . 1377 . 1 1 16 PRO HD3 H 7.333 0.213 -2.960 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 6 . 1378 . 1 1 16 PRO HG2 H 7.702 3.107 -2.350 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 6 . 1379 . 1 1 16 PRO HG3 H 6.897 2.427 -3.776 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 6 . 1380 . 1 1 16 PRO N N 9.429 0.630 -2.841 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 6 . 1381 . 1 1 16 PRO O O 12.111 3.128 -2.964 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 6 . 1382 . 1 1 17 PHL C C 12.215 2.631 1.011 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 6 . 1383 . 1 1 17 PHL CA C 11.667 3.426 -0.193 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 6 . 1384 . 1 1 17 PHL CB C 10.752 4.588 0.276 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 6 . 1385 . 1 1 17 PHL CD1 C 11.111 6.253 -1.638 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 6 . 1386 . 1 1 17 PHL CD2 C 8.851 5.611 -1.078 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 6 . 1387 . 1 1 17 PHL CE1 C 10.629 7.045 -2.674 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 6 . 1388 . 1 1 17 PHL CE2 C 8.369 6.407 -2.113 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 6 . 1389 . 1 1 17 PHL CG C 10.224 5.529 -0.829 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 6 . 1390 . 1 1 17 PHL CZ C 9.256 7.128 -2.906 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 6 . 1391 . 1 1 17 PHL H2 H 10.021 2.094 -0.869 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 6 . 1392 . 1 1 17 PHL HA H 12.552 3.877 -0.688 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 6 . 1393 . 1 1 17 PHL HB2 H 9.912 4.145 0.842 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 6 . 1394 . 1 1 17 PHL HB3 H 11.301 5.204 1.014 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 6 . 1395 . 1 1 17 PHL HC1 H 11.401 2.150 1.578 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 6 . 1396 . 1 1 17 PHL HC2 H 12.714 3.315 1.725 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 6 . 1397 . 1 1 17 PHL HD1 H 12.177 6.166 -1.488 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 6 . 1398 . 1 1 17 PHL HD2 H 8.156 5.037 -0.484 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 6 . 1399 . 1 1 17 PHL HE1 H 11.317 7.588 -3.305 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 6 . 1400 . 1 1 17 PHL HE2 H 7.307 6.456 -2.303 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 6 . 1401 . 1 1 17 PHL HO H 13.491 1.252 1.405 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 6 . 1402 . 1 1 17 PHL HZ H 8.882 7.749 -3.707 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 6 . 1403 . 1 1 17 PHL N N 10.911 2.552 -1.131 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 6 . 1404 . 1 1 17 PHL O O 13.159 1.651 0.598 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
. 7 . 1405 . 1 1 1 ACE C C -11.467 -1.582 -1.074 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 7 . 1406 . 1 1 1 ACE CH3 C -12.440 -2.736 -1.303 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 7 . 1407 . 1 1 1 ACE H1 H -13.461 -2.382 -1.538 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 7 . 1408 . 1 1 1 ACE H2 H -12.109 -3.366 -2.149 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 7 . 1409 . 1 1 1 ACE H3 H -12.499 -3.389 -0.412 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 7 . 1410 . 1 1 1 ACE O O -10.353 -1.608 -1.598 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 7 . 1411 . 1 1 2 TRP C C -9.945 0.248 1.153 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 7 . 1412 . 1 1 2 TRP CA C -11.037 0.586 0.096 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 7 . 1413 . 1 1 2 TRP CB C -11.818 1.852 0.576 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 7 . 1414 . 1 1 2 TRP CD1 C -13.569 2.183 -1.370 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 7 . 1415 . 1 1 2 TRP CD2 C -14.393 2.292 0.697 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 7 . 1416 . 1 1 2 TRP CE2 C -15.446 2.423 -0.244 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 7 . 1417 . 1 1 2 TRP CE3 C -14.663 2.330 2.091 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 7 . 1418 . 1 1 2 TRP CG C -13.212 2.129 -0.004 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 7 . 1419 . 1 1 2 TRP CH2 C -17.026 2.623 1.580 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 7 . 1420 . 1 1 2 TRP CZ2 C -16.779 2.585 0.205 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 7 . 1421 . 1 1 2 TRP CZ3 C -15.984 2.501 2.507 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 7 . 1422 . 1 1 2 TRP H H -12.845 -0.705 0.093 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 7 . 1423 . 1 1 2 TRP HA H -10.511 0.899 -0.830 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 7 . 1424 . 1 1 2 TRP HB2 H -11.913 1.833 1.679 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 7 . 1425 . 1 1 2 TRP HB3 H -11.188 2.741 0.382 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 7 . 1426 . 1 1 2 TRP HD1 H -12.872 2.056 -2.186 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 7 . 1427 . 1 1 2 TRP HE1 H -15.484 2.382 -2.417 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 7 . 1428 . 1 1 2 TRP HE3 H -13.872 2.239 2.821 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 7 . 1429 . 1 1 2 TRP HH2 H -18.037 2.753 1.934 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 7 . 1430 . 1 1 2 TRP HZ2 H -17.591 2.677 -0.501 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 7 . 1431 . 1 1 2 TRP HZ3 H -16.202 2.540 3.565 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 7 . 1432 . 1 1 2 TRP N N -11.890 -0.595 -0.265 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 7 . 1433 . 1 1 2 TRP NE1 N -14.953 2.357 -1.538 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 7 . 1434 . 1 1 2 TRP O O -8.785 0.625 0.973 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 7 . 1435 . 1 1 3 ILE C C -8.429 -2.100 2.677 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 7 . 1436 . 1 1 3 ILE CA C -9.356 -0.980 3.256 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 7 . 1437 . 1 1 3 ILE CB C -10.046 -1.382 4.619 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 7 . 1438 . 1 1 3 ILE CD1 C -12.521 -0.482 4.690 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 7 . 1439 . 1 1 3 ILE CG1 C -11.080 -0.366 5.215 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 7 . 1440 . 1 1 3 ILE CG2 C -8.989 -1.669 5.721 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 7 . 1441 . 1 1 3 ILE H H -11.313 -0.707 2.277 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 7 . 1442 . 1 1 3 ILE HA H -8.674 -0.135 3.456 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 7 . 1443 . 1 1 3 ILE HB H -10.578 -2.341 4.456 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 7 . 1444 . 1 1 3 ILE HD11 H -12.929 -1.501 4.833 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 7 . 1445 . 1 1 3 ILE HD12 H -13.193 0.209 5.232 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 7 . 1446 . 1 1 3 ILE HD13 H -12.613 -0.234 3.618 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 7 . 1447 . 1 1 3 ILE HG12 H -11.161 -0.492 6.311 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 7 . 1448 . 1 1 3 ILE HG13 H -10.716 0.669 5.082 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 7 . 1449 . 1 1 3 ILE HG21 H -8.384 -0.773 5.958 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 7 . 1450 . 1 1 3 ILE HG22 H -9.456 -2.012 6.664 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 7 . 1451 . 1 1 3 ILE HG23 H -8.286 -2.470 5.428 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 7 . 1452 . 1 1 3 ILE N N -10.317 -0.462 2.244 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 7 . 1453 . 1 1 3 ILE O O -7.230 -2.050 2.952 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 7 . 1454 . 1 1 4 GLN C C -7.056 -3.254 0.112 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 7 . 1455 . 1 1 4 GLN CA C -8.082 -3.962 1.048 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 7 . 1456 . 1 1 4 GLN CB C -8.965 -4.944 0.229 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 7 . 1457 . 1 1 4 GLN CD C -8.597 -6.822 -1.552 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 7 . 1458 . 1 1 4 GLN CG C -8.247 -6.266 -0.159 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 7 . 1459 . 1 1 4 GLN H H -9.947 -2.983 1.699 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 7 . 1460 . 1 1 4 GLN HA H -7.498 -4.565 1.770 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 7 . 1461 . 1 1 4 GLN HB2 H -9.875 -5.224 0.797 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 7 . 1462 . 1 1 4 GLN HB3 H -9.360 -4.427 -0.669 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 7 . 1463 . 1 1 4 GLN HE21 H -6.692 -7.387 -1.804 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 7 . 1464 . 1 1 4 GLN HE22 H -7.850 -7.724 -3.187 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 7 . 1465 . 1 1 4 GLN HG2 H -7.149 -6.144 -0.072 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 7 . 1466 . 1 1 4 GLN HG3 H -8.488 -7.039 0.597 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 7 . 1467 . 1 1 4 GLN N N -8.938 -3.053 1.862 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 7 . 1468 . 1 1 4 GLN NE2 N -7.611 -7.356 -2.259 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 7 . 1469 . 1 1 4 GLN O O -5.913 -3.708 0.059 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 7 . 1470 . 1 1 4 GLN OE1 O -9.742 -6.801 -2.003 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 7 . 1471 . 1 1 5 . C C -5.368 -0.715 -0.764 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 7 . 1472 . 1 1 5 . CA C -6.577 -1.387 -1.533 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 7 . 1473 . 1 1 5 . CB1 C -6.094 -2.320 -2.691 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 7 . 1474 . 1 1 5 . CB2 C -7.442 -0.244 -2.147 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 7 . 1475 . 1 1 5 . CG1 C -7.105 -2.938 -3.678 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 7 . 1476 . 1 1 5 . H2 H -8.389 -1.840 -0.417 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 7 . 1477 . 1 1 5 . HB11 H -5.362 -1.742 -3.244 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 7 . 1478 . 1 1 5 . HB12 H -5.503 -3.151 -2.280 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 7 . 1479 . 1 1 5 . HB21 H -7.874 0.420 -1.377 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 7 . 1480 . 1 1 5 . HB22 H -6.852 0.402 -2.823 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 7 . 1481 . 1 1 5 . HB23 H -8.296 -0.617 -2.740 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 7 . 1482 . 1 1 5 . HG11 H -7.615 -2.167 -4.283 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 7 . 1483 . 1 1 5 . HG12 H -6.599 -3.617 -4.388 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 7 . 1484 . 1 1 5 . HG13 H -7.881 -3.530 -3.157 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 7 . 1485 . 1 1 5 . N N -7.449 -2.177 -0.614 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 7 . 1486 . 1 1 5 . O O -4.205 -0.926 -1.116 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 7 . 1487 . 1 1 6 ILE C C -3.777 -0.553 2.002 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 7 . 1488 . 1 1 6 ILE CA C -4.596 0.568 1.259 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 7 . 1489 . 1 1 6 ILE CB C -5.239 1.656 2.205 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 7 . 1490 . 1 1 6 ILE CD1 C -4.913 3.763 0.638 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 7 . 1491 . 1 1 6 ILE CG1 C -5.869 2.877 1.458 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 7 . 1492 . 1 1 6 ILE CG2 C -4.308 2.181 3.332 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 7 . 1493 . 1 1 6 ILE H H -6.640 0.136 0.527 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 7 . 1494 . 1 1 6 ILE HA H -3.846 1.096 0.640 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 7 . 1495 . 1 1 6 ILE HB H -6.077 1.158 2.732 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 7 . 1496 . 1 1 6 ILE HD11 H -4.413 3.198 -0.169 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 7 . 1497 . 1 1 6 ILE HD12 H -5.455 4.597 0.159 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 7 . 1498 . 1 1 6 ILE HD13 H -4.122 4.212 1.267 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 7 . 1499 . 1 1 6 ILE HG12 H -6.671 2.524 0.785 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 7 . 1500 . 1 1 6 ILE HG13 H -6.401 3.517 2.185 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 7 . 1501 . 1 1 6 ILE HG21 H -3.364 2.596 2.933 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 7 . 1502 . 1 1 6 ILE HG22 H -4.788 2.976 3.934 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 7 . 1503 . 1 1 6 ILE HG23 H -4.036 1.379 4.042 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 7 . 1504 . 1 1 6 ILE N N -5.640 0.047 0.321 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 7 . 1505 . 1 1 6 ILE O O -2.641 -0.277 2.388 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 7 . 1506 . 1 1 7 THR C C -2.524 -3.533 1.590 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 7 . 1507 . 1 1 7 THR CA C -3.522 -2.966 2.646 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 7 . 1508 . 1 1 7 THR CB C -4.481 -4.016 3.282 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 7 . 1509 . 1 1 7 THR CG2 C -3.812 -5.300 3.804 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 7 . 1510 . 1 1 7 THR H H -5.255 -1.887 1.812 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 7 . 1511 . 1 1 7 THR HA H -2.884 -2.612 3.465 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 7 . 1512 . 1 1 7 THR HB H -5.235 -4.317 2.535 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 7 . 1513 . 1 1 7 THR HG1 H -5.553 -2.621 4.059 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 7 . 1514 . 1 1 7 THR HG21 H -4.546 -5.950 4.315 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 7 . 1515 . 1 1 7 THR HG22 H -3.376 -5.898 2.980 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 7 . 1516 . 1 1 7 THR HG23 H -3.000 -5.079 4.522 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 7 . 1517 . 1 1 7 THR N N -4.299 -1.788 2.168 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 7 . 1518 . 1 1 7 THR O O -1.359 -3.693 1.947 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 7 . 1519 . 1 1 7 THR OG1 O -5.162 -3.433 4.390 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 7 . 1520 . 1 1 8 ABA C C -0.874 -3.059 -1.072 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 7 . 1521 . 1 1 8 ABA CA C -1.982 -4.157 -0.795 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 7 . 1522 . 1 1 8 ABA N N -2.930 -3.822 0.332 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 7 . 1523 . 1 1 8 ABA O O 0.288 -3.363 -1.357 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 7 . 1524 . 1 1 9 LEU C C 0.465 -0.230 0.179 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 7 . 1525 . 1 1 9 LEU CA C -0.343 -0.609 -1.109 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 7 . 1526 . 1 1 9 LEU CB C -1.178 0.580 -1.667 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 7 . 1527 . 1 1 9 LEU CD1 C -2.842 1.251 -3.517 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 7 . 1528 . 1 1 9 LEU CD2 C -0.393 0.930 -4.090 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 7 . 1529 . 1 1 9 LEU CG C -1.553 0.477 -3.179 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 7 . 1530 . 1 1 9 LEU H H -2.232 -1.650 -0.677 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 7 . 1531 . 1 1 9 LEU HA H 0.419 -0.837 -1.873 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 7 . 1532 . 1 1 9 LEU HB2 H -2.086 0.703 -1.046 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 7 . 1533 . 1 1 9 LEU HB3 H -0.624 1.522 -1.508 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 7 . 1534 . 1 1 9 LEU HD11 H -2.757 2.331 -3.293 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 7 . 1535 . 1 1 9 LEU HD12 H -3.106 1.154 -4.587 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 7 . 1536 . 1 1 9 LEU HD13 H -3.711 0.866 -2.951 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 7 . 1537 . 1 1 9 LEU HD21 H 0.534 0.362 -3.890 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 7 . 1538 . 1 1 9 LEU HD22 H -0.626 0.782 -5.161 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 7 . 1539 . 1 1 9 LEU HD23 H -0.154 2.001 -3.947 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 7 . 1540 . 1 1 9 LEU HG H -1.769 -0.580 -3.421 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 7 . 1541 . 1 1 9 LEU N N -1.261 -1.772 -0.983 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 7 . 1542 . 1 1 9 LEU O O 1.415 0.546 0.042 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 7 . 1543 . 1 1 10 ABA C C 2.440 -1.157 2.476 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 7 . 1544 . 1 1 10 ABA CA C 0.959 -0.603 2.642 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 7 . 1545 . 1 1 10 ABA N N 0.146 -0.764 1.391 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 7 . 1546 . 1 1 10 ABA O O 3.366 -0.371 2.706 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 7 . 1547 . 1 1 11 HYP C C 4.704 -2.126 0.290 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 7 . 1548 . 1 1 11 HYP CA C 4.139 -2.798 1.589 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 7 . 1549 . 1 1 11 HYP CB C 4.050 -4.333 1.474 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 7 . 1550 . 1 1 11 HYP CD C 1.827 -3.545 1.897 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 7 . 1551 . 1 1 11 HYP CG C 2.593 -4.613 1.117 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 7 . 1552 . 1 1 11 HYP HA H 4.846 -2.566 2.410 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 7 . 1553 . 1 1 11 HYP HB2 H 4.754 -4.763 0.740 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 7 . 1554 . 1 1 11 HYP HB3 H 4.293 -4.801 2.445 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 7 . 1555 . 1 1 11 HYP HD1 H 1.533 -5.801 2.198 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 7 . 1556 . 1 1 11 HYP HD22 H 0.911 -3.269 1.352 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 7 . 1557 . 1 1 11 HYP HD23 H 1.542 -3.920 2.898 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 7 . 1558 . 1 1 11 HYP HG H 2.440 -4.484 0.026 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 7 . 1559 . 1 1 11 HYP N N 2.766 -2.419 2.027 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 7 . 1560 . 1 1 11 HYP O O 5.902 -2.291 0.042 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 7 . 1561 . 1 1 11 HYP OD1 O 2.191 -5.921 1.511 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 7 . 1562 . 1 1 12 GLN C C 4.706 1.039 -1.129 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 7 . 1563 . 1 1 12 GLN CA C 4.442 -0.446 -1.547 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 7 . 1564 . 1 1 12 GLN CB C 3.512 -0.493 -2.793 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 7 . 1565 . 1 1 12 GLN CD C 2.509 -1.866 -4.735 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 7 . 1566 . 1 1 12 GLN CG C 3.213 -1.894 -3.362 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 7 . 1567 . 1 1 12 GLN H H 2.968 -1.159 -0.133 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 7 . 1568 . 1 1 12 GLN HA H 5.433 -0.819 -1.846 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 7 . 1569 . 1 1 12 GLN HB2 H 2.551 0.008 -2.567 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 7 . 1570 . 1 1 12 GLN HB3 H 3.972 0.120 -3.589 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 7 . 1571 . 1 1 12 GLN HE21 H 0.953 -2.901 -4.008 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 7 . 1572 . 1 1 12 GLN HE22 H 0.919 -2.417 -5.787 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 7 . 1573 . 1 1 12 GLN HG2 H 4.158 -2.463 -3.449 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 7 . 1574 . 1 1 12 GLN HG3 H 2.609 -2.430 -2.598 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 7 . 1575 . 1 1 12 GLN N N 3.916 -1.332 -0.477 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 7 . 1576 . 1 1 12 GLN NE2 N 1.325 -2.435 -4.845 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 7 . 1577 . 1 1 12 GLN O O 4.948 1.854 -2.019 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 7 . 1578 . 1 1 12 GLN OE1 O 3.029 -1.344 -5.718 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 7 . 1579 . 1 1 13 ABA C C 7.029 1.993 0.994 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 7 . 1580 . 1 1 13 ABA CA C 5.517 2.492 0.794 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 7 . 1581 . 1 1 13 ABA N N 4.732 1.374 0.182 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 7 . 1582 . 1 1 13 ABA O O 7.930 2.555 0.346 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 7 . 1583 . 1 1 14 HYP C C 9.503 -0.169 0.696 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 7 . 1584 . 1 1 14 HYP CA C 8.810 0.469 1.937 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 7 . 1585 . 1 1 14 HYP CB C 8.777 -0.499 3.133 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 7 . 1586 . 1 1 14 HYP CD C 6.477 0.103 2.574 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 7 . 1587 . 1 1 14 HYP CG C 7.315 -0.883 3.385 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 7 . 1588 . 1 1 14 HYP HA H 9.416 1.342 2.244 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 7 . 1589 . 1 1 14 HYP HB2 H 9.381 -1.407 2.965 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 7 . 1590 . 1 1 14 HYP HB3 H 9.207 -0.005 4.026 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 7 . 1591 . 1 1 14 HYP HD1 H 7.209 0.113 5.021 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 7 . 1592 . 1 1 14 HYP HD22 H 5.799 -0.438 1.906 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 7 . 1593 . 1 1 14 HYP HD23 H 5.852 0.704 3.232 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 7 . 1594 . 1 1 14 HYP HG H 7.119 -1.916 3.044 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 7 . 1595 . 1 1 14 HYP N N 7.405 0.933 1.792 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 7 . 1596 . 1 1 14 HYP O O 10.701 0.062 0.533 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 7 . 1597 . 1 1 14 HYP OD1 O 7.010 -0.792 4.773 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 7 . 1598 . 1 1 15 ABA C C 10.009 -0.560 -2.400 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 7 . 1599 . 1 1 15 ABA CA C 9.404 -1.612 -1.372 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 7 . 1600 . 1 1 15 ABA N N 8.808 -0.978 -0.149 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 7 . 1601 . 1 1 15 ABA O O 11.169 -0.746 -2.796 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 7 . 1602 . 1 1 16 PRO C C 11.012 2.568 -2.532 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 7 . 1603 . 1 1 16 PRO CA C 10.078 1.717 -3.444 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 7 . 1604 . 1 1 16 PRO CB C 8.949 2.529 -4.100 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 7 . 1605 . 1 1 16 PRO CD C 7.944 0.876 -2.585 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 7 . 1606 . 1 1 16 PRO CG C 7.679 2.194 -3.319 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 7 . 1607 . 1 1 16 PRO HA H 10.730 1.326 -4.231 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 7 . 1608 . 1 1 16 PRO HB2 H 9.139 3.619 -4.121 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 7 . 1609 . 1 1 16 PRO HB3 H 8.828 2.223 -5.155 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 7 . 1610 . 1 1 16 PRO HD2 H 7.726 0.999 -1.515 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 7 . 1611 . 1 1 16 PRO HD3 H 7.281 0.070 -2.925 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 7 . 1612 . 1 1 16 PRO HG2 H 7.462 2.997 -2.589 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 7 . 1613 . 1 1 16 PRO HG3 H 6.795 2.125 -3.983 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 7 . 1614 . 1 1 16 PRO N N 9.363 0.574 -2.823 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 7 . 1615 . 1 1 16 PRO O O 11.961 3.158 -3.060 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 7 . 1616 . 1 1 17 PHL C C 12.049 2.847 0.902 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 7 . 1617 . 1 1 17 PHL CA C 11.463 3.597 -0.313 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 7 . 1618 . 1 1 17 PHL CB C 10.504 4.743 0.104 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 7 . 1619 . 1 1 17 PHL CD1 C 10.898 6.418 -1.780 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 7 . 1620 . 1 1 17 PHL CD2 C 8.651 5.604 -1.432 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 7 . 1621 . 1 1 17 PHL CE1 C 10.462 7.152 -2.877 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 7 . 1622 . 1 1 17 PHL CE2 C 8.213 6.344 -2.526 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 7 . 1623 . 1 1 17 PHL CG C 9.996 5.637 -1.047 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 7 . 1624 . 1 1 17 PHL CZ C 9.118 7.118 -3.251 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 7 . 1625 . 1 1 17 PHL H2 H 9.866 2.178 -0.946 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 7 . 1626 . 1 1 17 PHL HA H 12.328 4.061 -0.823 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 7 . 1627 . 1 1 17 PHL HB2 H 9.654 4.301 0.664 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 7 . 1628 . 1 1 17 PHL HB3 H 11.021 5.389 0.837 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 7 . 1629 . 1 1 17 PHL HC1 H 12.687 2.000 0.574 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 7 . 1630 . 1 1 17 PHL HC2 H 11.249 2.413 1.527 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 7 . 1631 . 1 1 17 PHL HD1 H 11.953 6.401 -1.539 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 7 . 1632 . 1 1 17 PHL HD2 H 7.955 4.961 -0.915 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 7 . 1633 . 1 1 17 PHL HE1 H 11.174 7.721 -3.457 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 7 . 1634 . 1 1 17 PHL HE2 H 7.176 6.296 -2.826 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 7 . 1635 . 1 1 17 PHL HO H 12.380 4.558 1.712 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 7 . 1636 . 1 1 17 PHL HZ H 8.784 7.675 -4.116 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 7 . 1637 . 1 1 17 PHL N N 10.746 2.653 -1.213 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 7 . 1638 . 1 1 17 PHL O O 12.837 3.715 1.709 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
. 8 . 1639 . 1 1 1 ACE C C -11.562 -1.607 -1.131 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 8 . 1640 . 1 1 1 ACE CH3 C -12.498 -2.813 -1.201 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 8 . 1641 . 1 1 1 ACE H1 H -13.547 -2.522 -1.398 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 8 . 1642 . 1 1 1 ACE H2 H -12.192 -3.506 -2.006 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 8 . 1643 . 1 1 1 ACE H3 H -12.477 -3.386 -0.254 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 8 . 1644 . 1 1 1 ACE O O -10.464 -1.648 -1.688 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 8 . 1645 . 1 1 2 TRP C C -10.031 0.222 1.029 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 8 . 1646 . 1 1 2 TRP CA C -11.118 0.586 -0.032 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 8 . 1647 . 1 1 2 TRP CB C -11.976 1.809 0.405 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 8 . 1648 . 1 1 2 TRP CD1 C -10.927 3.606 2.005 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 8 . 1649 . 1 1 2 TRP CD2 C -10.440 3.889 -0.150 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 8 . 1650 . 1 1 2 TRP CE2 C -9.741 4.848 0.629 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 8 . 1651 . 1 1 2 TRP CE3 C -10.261 3.841 -1.556 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 8 . 1652 . 1 1 2 TRP CG C -11.181 3.095 0.711 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 8 . 1653 . 1 1 2 TRP CH2 C -8.700 5.704 -1.380 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 8 . 1654 . 1 1 2 TRP CZ2 C -8.856 5.761 0.005 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 8 . 1655 . 1 1 2 TRP CZ3 C -9.393 4.759 -2.149 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 8 . 1656 . 1 1 2 TRP H H -12.929 -0.684 0.008 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 8 . 1657 . 1 1 2 TRP HA H -10.583 0.897 -0.952 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 8 . 1658 . 1 1 2 TRP HB2 H -12.721 2.033 -0.377 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 8 . 1659 . 1 1 2 TRP HB3 H -12.582 1.536 1.289 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 8 . 1660 . 1 1 2 TRP HD1 H -11.318 3.178 2.918 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 8 . 1661 . 1 1 2 TRP HE1 H -9.647 5.213 2.767 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 8 . 1662 . 1 1 2 TRP HE3 H -10.784 3.117 -2.163 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 8 . 1663 . 1 1 2 TRP HH2 H -8.032 6.398 -1.867 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 8 . 1664 . 1 1 2 TRP HZ2 H -8.308 6.489 0.588 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 8 . 1665 . 1 1 2 TRP HZ3 H -9.254 4.745 -3.220 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 8 . 1666 . 1 1 2 TRP N N -11.998 -0.563 -0.403 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 8 . 1667 . 1 1 2 TRP NE1 N -10.038 4.694 1.972 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 8 . 1668 . 1 1 2 TRP O O -8.878 0.623 0.858 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 8 . 1669 . 1 1 3 ILE C C -8.463 -2.169 2.518 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 8 . 1670 . 1 1 3 ILE CA C -9.395 -1.050 3.080 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 8 . 1671 . 1 1 3 ILE CB C -9.975 -1.379 4.501 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 8 . 1672 . 1 1 3 ILE CD1 C -12.129 -2.778 3.852 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 8 . 1673 . 1 1 3 ILE CG1 C -10.827 -2.675 4.659 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 8 . 1674 . 1 1 3 ILE CG2 C -10.648 -0.163 5.183 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 8 . 1675 . 1 1 3 ILE H H -11.393 -0.731 2.135 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 8 . 1676 . 1 1 3 ILE HA H -8.690 -0.214 3.251 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 8 . 1677 . 1 1 3 ILE HB H -9.082 -1.567 5.129 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 8 . 1678 . 1 1 3 ILE HD11 H -11.930 -2.889 2.772 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 8 . 1679 . 1 1 3 ILE HD12 H -12.720 -3.659 4.162 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 8 . 1680 . 1 1 3 ILE HD13 H -12.773 -1.891 3.987 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 8 . 1681 . 1 1 3 ILE HG12 H -10.200 -3.552 4.415 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 8 . 1682 . 1 1 3 ILE HG13 H -11.071 -2.811 5.729 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 8 . 1683 . 1 1 3 ILE HG21 H -11.600 0.121 4.698 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 8 . 1684 . 1 1 3 ILE HG22 H -10.871 -0.361 6.248 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 8 . 1685 . 1 1 3 ILE HG23 H -9.994 0.728 5.158 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 8 . 1686 . 1 1 3 ILE N N -10.391 -0.506 2.106 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 8 . 1687 . 1 1 3 ILE O O -7.281 -2.170 2.873 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 8 . 1688 . 1 1 4 GLN C C -7.023 -3.127 -0.099 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 8 . 1689 . 1 1 4 GLN CA C -8.031 -3.914 0.791 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 8 . 1690 . 1 1 4 GLN CB C -8.812 -4.932 -0.088 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 8 . 1691 . 1 1 4 GLN CD C -9.855 -7.322 -0.238 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 8 . 1692 . 1 1 4 GLN CG C -9.314 -6.188 0.661 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 8 . 1693 . 1 1 4 GLN H H -9.934 -2.960 1.390 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 8 . 1694 . 1 1 4 GLN HA H -7.411 -4.498 1.500 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 8 . 1695 . 1 1 4 GLN HB2 H -9.653 -4.432 -0.608 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 8 . 1696 . 1 1 4 GLN HB3 H -8.150 -5.288 -0.903 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 8 . 1697 . 1 1 4 GLN HE21 H -10.478 -8.310 1.394 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 8 . 1698 . 1 1 4 GLN HE22 H -10.729 -9.126 -0.230 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 8 . 1699 . 1 1 4 GLN HG2 H -8.481 -6.603 1.261 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 8 . 1700 . 1 1 4 GLN HG3 H -10.087 -5.892 1.396 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 8 . 1701 . 1 1 4 GLN N N -8.937 -3.062 1.614 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 8 . 1702 . 1 1 4 GLN NE2 N -10.427 -8.349 0.370 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 8 . 1703 . 1 1 4 GLN O O -5.855 -3.514 -0.125 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 8 . 1704 . 1 1 4 GLN OE1 O -9.746 -7.317 -1.465 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 8 . 1705 . 1 1 5 . C C -5.386 -0.541 -0.849 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 8 . 1706 . 1 1 5 . CA C -6.576 -1.194 -1.670 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 8 . 1707 . 1 1 5 . CB1 C -6.070 -2.068 -2.870 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 8 . 1708 . 1 1 5 . CB2 C -7.457 -0.033 -2.227 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 8 . 1709 . 1 1 5 . CG1 C -7.058 -2.577 -3.942 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 8 . 1710 . 1 1 5 . H2 H -8.416 -1.785 -0.664 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 8 . 1711 . 1 1 5 . HB11 H -5.292 -1.485 -3.355 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 8 . 1712 . 1 1 5 . HB12 H -5.525 -2.951 -2.496 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 8 . 1713 . 1 1 5 . HB21 H -7.870 0.613 -1.431 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 8 . 1714 . 1 1 5 . HB22 H -6.882 0.632 -2.899 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 8 . 1715 . 1 1 5 . HB23 H -8.328 -0.390 -2.806 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 8 . 1716 . 1 1 5 . HG11 H -7.513 -1.749 -4.518 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 8 . 1717 . 1 1 5 . HG12 H -6.547 -3.232 -4.672 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 8 . 1718 . 1 1 5 . HG13 H -7.880 -3.167 -3.496 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 8 . 1719 . 1 1 5 . N N -7.449 -2.055 -0.816 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 8 . 1720 . 1 1 5 . O O -4.216 -0.695 -1.208 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 8 . 1721 . 1 1 6 ILE C C -3.777 -0.445 1.927 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 8 . 1722 . 1 1 6 ILE CA C -4.642 0.675 1.229 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 8 . 1723 . 1 1 6 ILE CB C -5.302 1.716 2.218 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 8 . 1724 . 1 1 6 ILE CD1 C -5.232 3.828 0.619 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 8 . 1725 . 1 1 6 ILE CG1 C -6.057 2.907 1.536 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 8 . 1726 . 1 1 6 ILE CG2 C -4.343 2.297 3.291 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 8 . 1727 . 1 1 6 ILE H H -6.676 0.204 0.498 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 8 . 1728 . 1 1 6 ILE HA H -3.924 1.249 0.614 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 8 . 1729 . 1 1 6 ILE HB H -6.071 1.164 2.790 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 8 . 1730 . 1 1 6 ILE HD11 H -4.785 3.277 -0.229 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 8 . 1731 . 1 1 6 ILE HD12 H -5.863 4.627 0.188 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 8 . 1732 . 1 1 6 ILE HD13 H -4.408 4.325 1.163 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 8 . 1733 . 1 1 6 ILE HG12 H -6.910 2.516 0.952 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 8 . 1734 . 1 1 6 ILE HG13 H -6.536 3.534 2.312 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 8 . 1735 . 1 1 6 ILE HG21 H -3.461 2.790 2.842 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 8 . 1736 . 1 1 6 ILE HG22 H -4.841 3.046 3.936 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 8 . 1737 . 1 1 6 ILE HG23 H -3.967 1.513 3.973 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 8 . 1738 . 1 1 6 ILE N N -5.676 0.146 0.284 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 8 . 1739 . 1 1 6 ILE O O -2.622 -0.168 2.252 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 8 . 1740 . 1 1 7 THR C C -2.507 -3.422 1.533 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 8 . 1741 . 1 1 7 THR CA C -3.503 -2.855 2.591 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 8 . 1742 . 1 1 7 THR CB C -4.455 -3.923 3.214 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 8 . 1743 . 1 1 7 THR CG2 C -3.791 -5.203 3.754 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 8 . 1744 . 1 1 7 THR H H -5.274 -1.781 1.826 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 8 . 1745 . 1 1 7 THR HA H -2.862 -2.500 3.412 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 8 . 1746 . 1 1 7 THR HB H -5.194 -4.231 2.451 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 8 . 1747 . 1 1 7 THR HG1 H -5.545 -2.532 3.975 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 8 . 1748 . 1 1 7 THR HG21 H -4.530 -5.848 4.267 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 8 . 1749 . 1 1 7 THR HG22 H -3.349 -5.809 2.941 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 8 . 1750 . 1 1 7 THR HG23 H -2.987 -4.984 4.482 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 8 . 1751 . 1 1 7 THR N N -4.295 -1.680 2.121 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 8 . 1752 . 1 1 7 THR O O -1.348 -3.613 1.896 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 8 . 1753 . 1 1 7 THR OG1 O -5.159 -3.346 4.310 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 8 . 1754 . 1 1 8 ABA C C -0.829 -2.946 -1.115 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 8 . 1755 . 1 1 8 ABA CA C -1.951 -4.032 -0.856 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 8 . 1756 . 1 1 8 ABA N N -2.903 -3.683 0.264 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 8 . 1757 . 1 1 8 ABA O O 0.336 -3.263 -1.384 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 8 . 1758 . 1 1 9 LEU C C 0.544 -0.182 0.196 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 8 . 1759 . 1 1 9 LEU CA C -0.281 -0.498 -1.100 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 8 . 1760 . 1 1 9 LEU CB C -1.118 0.718 -1.599 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 8 . 1761 . 1 1 9 LEU CD1 C -2.754 1.584 -3.404 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 8 . 1762 . 1 1 9 LEU CD2 C -0.376 1.024 -4.039 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 8 . 1763 . 1 1 9 LEU CG C -1.546 0.674 -3.100 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 8 . 1764 . 1 1 9 LEU H H -2.180 -1.534 -0.718 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 8 . 1765 . 1 1 9 LEU HA H 0.468 -0.702 -1.882 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 8 . 1766 . 1 1 9 LEU HB2 H -2.008 0.827 -0.952 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 8 . 1767 . 1 1 9 LEU HB3 H -0.551 1.648 -1.427 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 8 . 1768 . 1 1 9 LEU HD11 H -2.549 2.645 -3.169 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 8 . 1769 . 1 1 9 LEU HD12 H -3.041 1.535 -4.473 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 8 . 1770 . 1 1 9 LEU HD13 H -3.652 1.288 -2.831 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 8 . 1771 . 1 1 9 LEU HD21 H 0.491 0.357 -3.888 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 8 . 1772 . 1 1 9 LEU HD22 H -0.657 0.935 -5.105 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 8 . 1773 . 1 1 9 LEU HD23 H -0.019 2.058 -3.877 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 8 . 1774 . 1 1 9 LEU HG H -1.875 -0.353 -3.346 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 8 . 1775 . 1 1 9 LEU N N -1.206 -1.656 -1.016 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 8 . 1776 . 1 1 9 LEU O O 1.525 0.556 0.072 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 8 . 1777 . 1 1 10 ABA C C 2.491 -1.168 2.488 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 8 . 1778 . 1 1 10 ABA CA C 1.011 -0.604 2.661 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 8 . 1779 . 1 1 10 ABA N N 0.206 -0.726 1.399 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 8 . 1780 . 1 1 10 ABA O O 3.419 -0.391 2.728 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 8 . 1781 . 1 1 11 HYP C C 4.758 -2.121 0.283 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 8 . 1782 . 1 1 11 HYP CA C 4.178 -2.809 1.566 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 8 . 1783 . 1 1 11 HYP CB C 4.076 -4.340 1.416 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 8 . 1784 . 1 1 11 HYP CD C 1.861 -3.545 1.900 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 8 . 1785 . 1 1 11 HYP CG C 2.607 -4.620 1.110 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 8 . 1786 . 1 1 11 HYP HA H 4.890 -2.604 2.389 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 8 . 1787 . 1 1 11 HYP HB2 H 4.747 -4.758 0.645 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 8 . 1788 . 1 1 11 HYP HB3 H 4.360 -4.831 2.365 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 8 . 1789 . 1 1 11 HYP HD1 H 1.339 -5.831 1.906 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 8 . 1790 . 1 1 11 HYP HD22 H 0.945 -3.260 1.361 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 8 . 1791 . 1 1 11 HYP HD23 H 1.583 -3.916 2.905 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 8 . 1792 . 1 1 11 HYP HG H 2.411 -4.501 0.026 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 8 . 1793 . 1 1 11 HYP N N 2.809 -2.426 2.021 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 8 . 1794 . 1 1 11 HYP O O 5.956 -2.288 0.035 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 8 . 1795 . 1 1 11 HYP OD1 O 2.222 -5.921 1.541 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 8 . 1796 . 1 1 12 GLN C C 4.769 1.068 -1.086 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 8 . 1797 . 1 1 12 GLN CA C 4.507 -0.410 -1.525 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 8 . 1798 . 1 1 12 GLN CB C 3.583 -0.448 -2.775 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 8 . 1799 . 1 1 12 GLN CD C 2.576 -1.796 -4.720 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 8 . 1800 . 1 1 12 GLN CG C 3.288 -1.844 -3.356 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 8 . 1801 . 1 1 12 GLN H H 3.032 -1.139 -0.123 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 8 . 1802 . 1 1 12 GLN HA H 5.503 -0.778 -1.824 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 8 . 1803 . 1 1 12 GLN HB2 H 2.624 0.056 -2.550 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 8 . 1804 . 1 1 12 GLN HB3 H 4.050 0.169 -3.562 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 8 . 1805 . 1 1 12 GLN HE21 H 0.990 -2.778 -3.987 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 8 . 1806 . 1 1 12 GLN HE22 H 0.954 -2.284 -5.762 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 8 . 1807 . 1 1 12 GLN HG2 H 4.238 -2.406 -3.455 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 8 . 1808 . 1 1 12 GLN HG3 H 2.691 -2.397 -2.599 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 8 . 1809 . 1 1 12 GLN N N 3.977 -1.314 -0.471 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 8 . 1810 . 1 1 12 GLN NE2 N 1.385 -2.350 -4.832 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 8 . 1811 . 1 1 12 GLN O O 5.002 1.899 -1.966 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 8 . 1812 . 1 1 12 GLN OE1 O 3.094 -1.252 -5.698 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 8 . 1813 . 1 1 13 ABA C C 7.113 1.951 1.039 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 8 . 1814 . 1 1 13 ABA CA C 5.606 2.475 0.859 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 8 . 1815 . 1 1 13 ABA N N 4.804 1.378 0.231 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 8 . 1816 . 1 1 13 ABA O O 8.012 2.502 0.384 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 8 . 1817 . 1 1 14 HYP C C 9.569 -0.226 0.709 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 8 . 1818 . 1 1 14 HYP CA C 8.881 0.398 1.958 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 8 . 1819 . 1 1 14 HYP CB C 8.836 -0.595 3.134 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 8 . 1820 . 1 1 14 HYP CD C 6.545 0.048 2.598 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 8 . 1821 . 1 1 14 HYP CG C 7.374 -0.973 3.374 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 8 . 1822 . 1 1 14 HYP HA H 9.499 1.255 2.287 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 8 . 1823 . 1 1 14 HYP HB2 H 9.432 -1.505 2.939 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 8 . 1824 . 1 1 14 HYP HB3 H 9.270 -0.128 4.039 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 8 . 1825 . 1 1 14 HYP HD1 H 7.257 -0.033 5.043 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 8 . 1826 . 1 1 14 HYP HD22 H 5.850 -0.461 1.923 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 8 . 1827 . 1 1 14 HYP HD23 H 5.937 0.643 3.280 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 8 . 1828 . 1 1 14 HYP HG H 7.173 -1.994 2.993 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 8 . 1829 . 1 1 14 HYP N N 7.480 0.880 1.829 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 8 . 1830 . 1 1 14 HYP O O 10.775 -0.018 0.560 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 8 . 1831 . 1 1 14 HYP OD1 O 7.069 -0.932 4.763 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 8 . 1832 . 1 1 15 ABA C C 10.085 -0.549 -2.388 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 8 . 1833 . 1 1 15 ABA CA C 9.461 -1.622 -1.393 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 8 . 1834 . 1 1 15 ABA N N 8.866 -1.004 -0.160 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 8 . 1835 . 1 1 15 ABA O O 11.252 -0.723 -2.761 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 8 . 1836 . 1 1 16 PRO C C 11.088 2.589 -2.485 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 8 . 1837 . 1 1 16 PRO CA C 10.163 1.744 -3.408 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 8 . 1838 . 1 1 16 PRO CB C 9.039 2.574 -4.052 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 8 . 1839 . 1 1 16 PRO CD C 8.020 0.894 -2.576 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 8 . 1840 . 1 1 16 PRO CG C 7.767 2.233 -3.278 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 8 . 1841 . 1 1 16 PRO HA H 10.818 1.364 -4.200 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 8 . 1842 . 1 1 16 PRO HB2 H 9.236 3.663 -4.054 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 8 . 1843 . 1 1 16 PRO HB3 H 8.919 2.286 -5.113 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 8 . 1844 . 1 1 16 PRO HD2 H 7.789 0.989 -1.506 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 8 . 1845 . 1 1 16 PRO HD3 H 7.363 0.097 -2.945 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 8 . 1846 . 1 1 16 PRO HG2 H 7.563 3.021 -2.528 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 8 . 1847 . 1 1 16 PRO HG3 H 6.884 2.193 -3.942 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 8 . 1848 . 1 1 16 PRO N N 9.443 0.591 -2.806 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 8 . 1849 . 1 1 16 PRO O O 12.023 3.207 -3.001 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 8 . 1850 . 1 1 17 PHL C C 12.096 2.789 0.949 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 8 . 1851 . 1 1 17 PHL CA C 11.525 3.578 -0.250 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 8 . 1852 . 1 1 17 PHL CB C 10.558 4.716 0.169 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 8 . 1853 . 1 1 17 PHL CD1 C 10.966 6.416 -1.689 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 8 . 1854 . 1 1 17 PHL CD2 C 8.711 5.615 -1.360 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 8 . 1855 . 1 1 17 PHL CE1 C 10.538 7.178 -2.772 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 8 . 1856 . 1 1 17 PHL CE2 C 8.282 6.383 -2.440 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 8 . 1857 . 1 1 17 PHL CG C 10.059 5.628 -0.974 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 8 . 1858 . 1 1 17 PHL CZ C 9.195 7.166 -3.145 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 8 . 1859 . 1 1 17 PHL H2 H 9.953 2.145 -0.900 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 8 . 1860 . 1 1 17 PHL HA H 12.395 4.049 -0.745 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 8 . 1861 . 1 1 17 PHL HB2 H 9.705 4.263 0.712 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 8 . 1862 . 1 1 17 PHL HB3 H 11.065 5.354 0.918 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 8 . 1863 . 1 1 17 PHL HC1 H 12.725 1.946 0.600 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 8 . 1864 . 1 1 17 PHL HC2 H 11.287 2.352 1.557 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 8 . 1865 . 1 1 17 PHL HD1 H 12.019 6.390 -1.442 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 8 . 1866 . 1 1 17 PHL HD2 H 8.010 4.975 -0.853 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 8 . 1867 . 1 1 17 PHL HE1 H 11.255 7.755 -3.338 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 8 . 1868 . 1 1 17 PHL HE2 H 7.245 6.355 -2.741 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 8 . 1869 . 1 1 17 PHL HO H 13.601 3.947 1.223 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 8 . 1870 . 1 1 17 PHL HZ H 8.863 7.754 -3.990 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 8 . 1871 . 1 1 17 PHL N N 10.817 2.645 -1.166 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 8 . 1872 . 1 1 17 PHL O O 12.893 3.621 1.780 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
. 9 . 1873 . 1 1 1 ACE C C -11.667 -1.775 -0.997 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 9 . 1874 . 1 1 1 ACE CH3 C -12.562 -3.015 -1.008 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 9 . 1875 . 1 1 1 ACE H1 H -13.630 -2.761 -1.143 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 9 . 1876 . 1 1 1 ACE H2 H -12.288 -3.710 -1.823 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 9 . 1877 . 1 1 1 ACE H3 H -12.470 -3.577 -0.060 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 9 . 1878 . 1 1 1 ACE O O -10.609 -1.758 -1.633 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 9 . 1879 . 1 1 2 TRP C C -10.132 0.325 0.958 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 9 . 1880 . 1 1 2 TRP CA C -11.324 0.508 -0.030 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 9 . 1881 . 1 1 2 TRP CB C -12.160 1.741 0.435 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 9 . 1882 . 1 1 2 TRP CD1 C -14.009 2.249 -1.376 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 9 . 1883 . 1 1 2 TRP CD2 C -14.754 1.610 0.622 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 9 . 1884 . 1 1 2 TRP CE2 C -15.853 1.827 -0.243 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 9 . 1885 . 1 1 2 TRP CE3 C -14.963 1.185 1.960 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 9 . 1886 . 1 1 2 TRP CG C -13.595 1.876 -0.082 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 9 . 1887 . 1 1 2 TRP CH2 C -17.362 1.219 1.549 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 9 . 1888 . 1 1 2 TRP CZ2 C -17.174 1.630 0.227 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 9 . 1889 . 1 1 2 TRP CZ3 C -16.272 1.000 2.402 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 9 . 1890 . 1 1 2 TRP H H -12.997 -0.931 0.226 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 9 . 1891 . 1 1 2 TRP HA H -10.894 0.792 -1.011 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 9 . 1892 . 1 1 2 TRP HB2 H -12.202 1.774 1.542 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 9 . 1893 . 1 1 2 TRP HB3 H -11.608 2.664 0.172 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 9 . 1894 . 1 1 2 TRP HD1 H -13.336 2.501 -2.183 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 9 . 1895 . 1 1 2 TRP HE1 H -15.980 2.434 -2.326 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 9 . 1896 . 1 1 2 TRP HE3 H -14.132 1.012 2.630 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 9 . 1897 . 1 1 2 TRP HH2 H -18.364 1.074 1.921 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 9 . 1898 . 1 1 2 TRP HZ2 H -18.019 1.799 -0.423 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 9 . 1899 . 1 1 2 TRP HZ3 H -16.445 0.685 3.421 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 9 . 1900 . 1 1 2 TRP N N -12.104 -0.755 -0.244 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 9 . 1901 . 1 1 2 TRP NE1 N -15.413 2.227 -1.496 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 9 . 1902 . 1 1 2 TRP O O -9.032 0.814 0.691 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 9 . 1903 . 1 1 3 ILE C C -8.419 -2.046 2.411 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 9 . 1904 . 1 1 3 ILE CA C -9.265 -0.861 2.978 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 9 . 1905 . 1 1 3 ILE CB C -9.820 -1.080 4.431 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 9 . 1906 . 1 1 3 ILE CD1 C -8.974 -0.457 6.813 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 9 . 1907 . 1 1 3 ILE CG1 C -8.694 -1.211 5.503 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 9 . 1908 . 1 1 3 ILE CG2 C -10.846 -2.238 4.564 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 9 . 1909 . 1 1 3 ILE H H -11.320 -0.710 2.204 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 9 . 1910 . 1 1 3 ILE HA H -8.540 -0.025 3.027 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 9 . 1911 . 1 1 3 ILE HB H -10.379 -0.156 4.676 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 9 . 1912 . 1 1 3 ILE HD11 H -9.932 -0.757 7.273 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 9 . 1913 . 1 1 3 ILE HD12 H -8.175 -0.642 7.553 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 9 . 1914 . 1 1 3 ILE HD13 H -9.013 0.635 6.642 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 9 . 1915 . 1 1 3 ILE HG12 H -8.477 -2.275 5.723 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 9 . 1916 . 1 1 3 ILE HG13 H -7.737 -0.821 5.114 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 9 . 1917 . 1 1 3 ILE HG21 H -10.405 -3.221 4.307 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 9 . 1918 . 1 1 3 ILE HG22 H -11.237 -2.318 5.595 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 9 . 1919 . 1 1 3 ILE HG23 H -11.722 -2.096 3.902 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 9 . 1920 . 1 1 3 ILE N N -10.357 -0.375 2.092 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 9 . 1921 . 1 1 3 ILE O O -7.250 -2.139 2.780 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 9 . 1922 . 1 1 4 GLN C C -7.090 -3.137 -0.248 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 9 . 1923 . 1 1 4 GLN CA C -8.096 -3.837 0.713 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 9 . 1924 . 1 1 4 GLN CB C -8.979 -4.885 -0.017 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 9 . 1925 . 1 1 4 GLN CD C -8.975 -7.440 -0.461 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 9 . 1926 . 1 1 4 GLN CG C -8.192 -6.122 -0.536 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 9 . 1927 . 1 1 4 GLN H H -9.914 -2.697 1.243 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 9 . 1928 . 1 1 4 GLN HA H -7.496 -4.404 1.455 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 9 . 1929 . 1 1 4 GLN HB2 H -9.758 -5.233 0.688 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 9 . 1930 . 1 1 4 GLN HB3 H -9.537 -4.423 -0.854 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 9 . 1931 . 1 1 4 GLN HE21 H -9.659 -7.203 -2.330 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 9 . 1932 . 1 1 4 GLN HE22 H -10.178 -8.715 -1.428 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 9 . 1933 . 1 1 4 GLN HG2 H -7.822 -5.936 -1.562 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 9 . 1934 . 1 1 4 GLN HG3 H -7.268 -6.265 0.058 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 9 . 1935 . 1 1 4 GLN N N -8.944 -2.898 1.502 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 9 . 1936 . 1 1 4 GLN NE2 N -9.673 -7.826 -1.518 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 9 . 1937 . 1 1 4 GLN O O -5.933 -3.558 -0.285 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 9 . 1938 . 1 1 4 GLN OE1 O -8.961 -8.128 0.560 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 9 . 1939 . 1 1 5 . C C -5.485 -0.520 -0.849 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 9 . 1940 . 1 1 5 . CA C -6.625 -1.155 -1.748 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 9 . 1941 . 1 1 5 . CB1 C -6.057 -1.955 -2.969 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 9 . 1942 . 1 1 5 . CB2 C -7.519 0.012 -2.269 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 9 . 1943 . 1 1 5 . CG1 C -6.965 -2.334 -4.156 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 9 . 1944 . 1 1 5 . H2 H -8.473 -1.798 -0.810 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 9 . 1945 . 1 1 5 . HB11 H -5.233 -1.360 -3.347 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 9 . 1946 . 1 1 5 . HB12 H -5.555 -2.877 -2.630 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 9 . 1947 . 1 1 5 . HB21 H -7.929 0.632 -1.455 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 9 . 1948 . 1 1 5 . HB22 H -6.953 0.700 -2.924 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 9 . 1949 . 1 1 5 . HB23 H -8.398 -0.332 -2.845 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 9 . 1950 . 1 1 5 . HG11 H -7.415 -1.447 -4.637 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 9 . 1951 . 1 1 5 . HG12 H -6.380 -2.852 -4.939 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 9 . 1952 . 1 1 5 . HG13 H -7.791 -3.001 -3.850 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 9 . 1953 . 1 1 5 . N N -7.509 -2.070 -0.975 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 9 . 1954 . 1 1 5 . O O -4.296 -0.630 -1.174 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 9 . 1955 . 1 1 6 ILE C C -3.891 -0.411 1.954 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 9 . 1956 . 1 1 6 ILE CA C -4.834 0.653 1.278 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 9 . 1957 . 1 1 6 ILE CB C -5.533 1.675 2.267 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 9 . 1958 . 1 1 6 ILE CD1 C -5.453 4.191 3.028 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 9 . 1959 . 1 1 6 ILE CG1 C -4.723 3.001 2.379 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 9 . 1960 . 1 1 6 ILE CG2 C -5.862 1.120 3.675 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 9 . 1961 . 1 1 6 ILE H H -6.840 0.109 0.503 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 9 . 1962 . 1 1 6 ILE HA H -4.147 1.248 0.643 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 9 . 1963 . 1 1 6 ILE HB H -6.520 1.953 1.841 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 9 . 1964 . 1 1 6 ILE HD11 H -5.662 4.018 4.099 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 9 . 1965 . 1 1 6 ILE HD12 H -4.840 5.108 2.963 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 9 . 1966 . 1 1 6 ILE HD13 H -6.416 4.406 2.528 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 9 . 1967 . 1 1 6 ILE HG12 H -3.773 2.820 2.917 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 9 . 1968 . 1 1 6 ILE HG13 H -4.421 3.334 1.369 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 9 . 1969 . 1 1 6 ILE HG21 H -4.953 0.978 4.292 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 9 . 1970 . 1 1 6 ILE HG22 H -6.538 1.792 4.235 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 9 . 1971 . 1 1 6 ILE HG23 H -6.362 0.141 3.616 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 9 . 1972 . 1 1 6 ILE N N -5.834 0.110 0.304 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 9 . 1973 . 1 1 6 ILE O O -2.789 -0.050 2.369 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 9 . 1974 . 1 1 7 THR C C -2.520 -3.386 1.475 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 9 . 1975 . 1 1 7 THR CA C -3.492 -2.818 2.547 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 9 . 1976 . 1 1 7 THR CB C -4.411 -3.884 3.217 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 9 . 1977 . 1 1 7 THR CG2 C -3.703 -5.137 3.771 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 9 . 1978 . 1 1 7 THR H H -5.265 -1.848 1.677 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 9 . 1979 . 1 1 7 THR HA H -2.843 -2.422 3.344 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 9 . 1980 . 1 1 7 THR HB H -5.163 -4.225 2.481 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 9 . 1981 . 1 1 7 THR HG1 H -5.547 -2.517 3.947 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 9 . 1982 . 1 1 7 THR HG21 H -4.424 -5.794 4.289 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 9 . 1983 . 1 1 7 THR HG22 H -3.246 -5.738 2.962 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 9 . 1984 . 1 1 7 THR HG23 H -2.905 -4.887 4.494 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 9 . 1985 . 1 1 7 THR N N -4.324 -1.689 2.053 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 9 . 1986 . 1 1 7 THR O O -1.363 -3.599 1.832 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 9 . 1987 . 1 1 7 THR OG1 O -5.101 -3.286 4.312 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 9 . 1988 . 1 1 8 ABA C C -0.860 -2.865 -1.168 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 9 . 1989 . 1 1 8 ABA CA C -1.986 -3.953 -0.927 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 9 . 1990 . 1 1 8 ABA N N -2.929 -3.624 0.203 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 9 . 1991 . 1 1 8 ABA O O 0.306 -3.184 -1.436 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 9 . 1992 . 1 1 9 LEU C C 0.501 -0.099 0.168 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 9 . 1993 . 1 1 9 LEU CA C -0.304 -0.418 -1.137 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 9 . 1994 . 1 1 9 LEU CB C -1.131 0.791 -1.662 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 9 . 1995 . 1 1 9 LEU CD1 C -2.745 1.547 -3.532 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 9 . 1996 . 1 1 9 LEU CD2 C -0.292 1.213 -4.051 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 9 . 1997 . 1 1 9 LEU CG C -1.480 0.741 -3.184 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 9 . 1998 . 1 1 9 LEU H H -2.213 -1.457 -0.791 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 9 . 1999 . 1 1 9 LEU HA H 0.464 -0.623 -1.903 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 9 . 2000 . 1 1 9 LEU HB2 H -2.051 0.892 -1.055 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 9 . 2001 . 1 1 9 LEU HB3 H -0.582 1.727 -1.461 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 9 . 2002 . 1 1 9 LEU HD11 H -2.652 2.616 -3.260 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 9 . 2003 . 1 1 9 LEU HD12 H -2.969 1.498 -4.615 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 9 . 2004 . 1 1 9 LEU HD13 H -3.637 1.149 -3.012 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 9 . 2005 . 1 1 9 LEU HD21 H 0.624 0.627 -3.855 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 9 . 2006 . 1 1 9 LEU HD22 H -0.502 1.118 -5.134 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 9 . 2007 . 1 1 9 LEU HD23 H -0.043 2.271 -3.854 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 9 . 2008 . 1 1 9 LEU HG H -1.707 -0.303 -3.468 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 9 . 2009 . 1 1 9 LEU N N -1.232 -1.576 -1.065 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 9 . 2010 . 1 1 9 LEU O O 1.465 0.667 0.064 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 9 . 2011 . 1 1 10 ABA C C 2.450 -1.142 2.439 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 9 . 2012 . 1 1 10 ABA CA C 0.974 -0.568 2.625 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 9 . 2013 . 1 1 10 ABA N N 0.162 -0.668 1.362 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 9 . 2014 . 1 1 10 ABA O O 3.384 -0.369 2.668 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 9 . 2015 . 1 1 11 HYP C C 4.716 -2.092 0.231 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 9 . 2016 . 1 1 11 HYP CA C 4.124 -2.792 1.504 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 9 . 2017 . 1 1 11 HYP CB C 3.999 -4.319 1.321 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 9 . 2018 . 1 1 11 HYP CD C 1.795 -3.499 1.795 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 9 . 2019 . 1 1 11 HYP CG C 2.531 -4.556 0.974 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 9 . 2020 . 1 1 11 HYP HA H 4.837 -2.615 2.329 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 9 . 2021 . 1 1 11 HYP HB2 H 4.681 -4.734 0.556 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 9 . 2022 . 1 1 11 HYP HB3 H 4.250 -4.839 2.267 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 9 . 2023 . 1 1 11 HYP HD1 H 1.355 -5.763 1.908 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 9 . 2024 . 1 1 11 HYP HD22 H 0.891 -3.185 1.258 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 9 . 2025 . 1 1 11 HYP HD23 H 1.513 -3.896 2.792 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 9 . 2026 . 1 1 11 HYP HG H 2.370 -4.387 -0.109 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 9 . 2027 . 1 1 11 HYP N N 2.759 -2.399 1.964 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 9 . 2028 . 1 1 11 HYP O O 5.908 -2.279 -0.025 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 9 . 2029 . 1 1 11 HYP OD1 O 2.114 -5.869 1.327 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 9 . 2030 . 1 1 12 GLN C C 4.807 1.112 -1.089 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 9 . 2031 . 1 1 12 GLN CA C 4.516 -0.348 -1.552 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 9 . 2032 . 1 1 12 GLN CB C 3.602 -0.347 -2.811 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 9 . 2033 . 1 1 12 GLN CD C 2.582 -1.647 -4.780 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 9 . 2034 . 1 1 12 GLN CG C 3.279 -1.730 -3.412 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 9 . 2035 . 1 1 12 GLN H H 3.013 -1.065 -0.166 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 9 . 2036 . 1 1 12 GLN HA H 5.506 -0.733 -1.845 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 9 . 2037 . 1 1 12 GLN HB2 H 2.655 0.179 -2.590 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 9 . 2038 . 1 1 12 GLN HB3 H 4.089 0.267 -3.588 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 9 . 2039 . 1 1 12 GLN HE21 H 0.984 -2.634 -4.071 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 9 . 2040 . 1 1 12 GLN HE22 H 0.959 -2.116 -5.838 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 9 . 2041 . 1 1 12 GLN HG2 H 4.212 -2.320 -3.496 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 9 . 2042 . 1 1 12 GLN HG3 H 2.656 -2.274 -2.663 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 9 . 2043 . 1 1 12 GLN N N 3.956 -1.252 -0.512 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 9 . 2044 . 1 1 12 GLN NE2 N 1.380 -2.183 -4.906 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 9 . 2045 . 1 1 12 GLN O O 5.071 1.954 -1.951 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 9 . 2046 . 1 1 12 GLN OE1 O 3.123 -1.112 -5.753 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 9 . 2047 . 1 1 13 ABA C C 7.155 1.923 1.080 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 9 . 2048 . 1 1 13 ABA CA C 5.662 2.475 0.883 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 9 . 2049 . 1 1 13 ABA N N 4.830 1.411 0.236 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 9 . 2050 . 1 1 13 ABA O O 8.075 2.479 0.462 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 9 . 2051 . 1 1 14 HYP C C 9.548 -0.309 0.711 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 9 . 2052 . 1 1 14 HYP CA C 8.869 0.298 1.973 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 9 . 2053 . 1 1 14 HYP CB C 8.791 -0.729 3.123 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 9 . 2054 . 1 1 14 HYP CD C 6.527 0.006 2.592 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 9 . 2055 . 1 1 14 HYP CG C 7.316 -1.060 3.351 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 9 . 2056 . 1 1 14 HYP HA H 9.511 1.133 2.323 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 9 . 2057 . 1 1 14 HYP HB2 H 9.358 -1.654 2.903 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 9 . 2058 . 1 1 14 HYP HB3 H 9.243 -0.302 4.041 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 9 . 2059 . 1 1 14 HYP HD1 H 7.238 -0.149 5.041 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 9 . 2060 . 1 1 14 HYP HD22 H 5.817 -0.466 1.907 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 9 . 2061 . 1 1 14 HYP HD23 H 5.938 0.617 3.277 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 9 . 2062 . 1 1 14 HYP HG H 7.081 -2.063 2.952 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 9 . 2063 . 1 1 14 HYP N N 7.486 0.822 1.841 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 9 . 2064 . 1 1 14 HYP O O 10.756 -0.101 0.575 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 9 . 2065 . 1 1 14 HYP OD1 O 7.001 -1.029 4.737 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 9 . 2066 . 1 1 15 ABA C C 10.085 -0.601 -2.389 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 9 . 2067 . 1 1 15 ABA CA C 9.438 -1.675 -1.411 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 9 . 2068 . 1 1 15 ABA N N 8.845 -1.067 -0.175 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 9 . 2069 . 1 1 15 ABA O O 11.235 -0.810 -2.796 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 9 . 2070 . 1 1 16 PRO C C 11.201 2.489 -2.367 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 9 . 2071 . 1 1 16 PRO CA C 10.243 1.722 -3.320 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 9 . 2072 . 1 1 16 PRO CB C 9.151 2.616 -3.934 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 9 . 2073 . 1 1 16 PRO CD C 8.069 0.922 -2.524 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 9 . 2074 . 1 1 16 PRO CG C 7.886 2.317 -3.135 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 9 . 2075 . 1 1 16 PRO HA H 10.883 1.346 -4.119 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 9 . 2076 . 1 1 16 PRO HB2 H 9.400 3.694 -3.920 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 9 . 2077 . 1 1 16 PRO HB3 H 8.996 2.351 -4.997 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 9 . 2078 . 1 1 16 PRO HD2 H 7.829 0.954 -1.452 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 9 . 2079 . 1 1 16 PRO HD3 H 7.393 0.167 -2.951 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 9 . 2080 . 1 1 16 PRO HG2 H 7.777 3.065 -2.330 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 9 . 2081 . 1 1 16 PRO HG3 H 6.979 2.395 -3.763 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 9 . 2082 . 1 1 16 PRO N N 9.483 0.580 -2.755 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 9 . 2083 . 1 1 16 PRO O O 12.188 3.040 -2.861 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 9 . 2084 . 1 1 17 PHL C C 12.135 2.719 1.113 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 9 . 2085 . 1 1 17 PHL CA C 11.627 3.475 -0.133 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 9 . 2086 . 1 1 17 PHL CB C 10.685 4.647 0.258 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 9 . 2087 . 1 1 17 PHL CD1 C 11.019 6.191 -1.766 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 9 . 2088 . 1 1 17 PHL CD2 C 8.768 5.644 -1.090 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 9 . 2089 . 1 1 17 PHL CE1 C 10.516 6.946 -2.825 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 9 . 2090 . 1 1 17 PHL CE2 C 8.265 6.397 -2.149 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 9 . 2091 . 1 1 17 PHL CG C 10.147 5.534 -0.892 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 9 . 2092 . 1 1 17 PHL CZ C 9.140 7.052 -3.011 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 9 . 2093 . 1 1 17 PHL H2 H 10.027 2.086 -0.800 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 9 . 2094 . 1 1 17 PHL HA H 12.519 3.908 -0.627 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 9 . 2095 . 1 1 17 PHL HB2 H 9.843 4.208 0.826 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 9 . 2096 . 1 1 17 PHL HB3 H 11.213 5.298 0.977 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 9 . 2097 . 1 1 17 PHL HC1 H 12.556 1.731 0.843 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 9 . 2098 . 1 1 17 PHL HC2 H 11.312 2.517 1.826 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 9 . 2099 . 1 1 17 PHL HD1 H 12.088 6.092 -1.649 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 9 . 2100 . 1 1 17 PHL HD2 H 8.079 5.134 -0.435 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 9 . 2101 . 1 1 17 PHL HE1 H 11.193 7.441 -3.506 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 9 . 2102 . 1 1 17 PHL HE2 H 7.197 6.466 -2.303 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 9 . 2103 . 1 1 17 PHL HO H 12.826 4.364 1.829 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 9 . 2104 . 1 1 17 PHL HZ H 8.751 7.640 -3.829 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 9 . 2105 . 1 1 17 PHL N N 10.910 2.554 -1.053 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 9 . 2106 . 1 1 17 PHL O O 13.155 3.465 1.762 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
. 10 . 2107 . 1 1 1 ACE C C -11.601 -1.907 -1.287 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 10 . 2108 . 1 1 1 ACE CH3 C -12.495 -3.105 -1.597 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 10 . 2109 . 1 1 1 ACE H1 H -13.525 -2.804 -1.865 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 10 . 2110 . 1 1 1 ACE H2 H -12.096 -3.689 -2.447 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 10 . 2111 . 1 1 1 ACE H3 H -12.549 -3.791 -0.731 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 10 . 2112 . 1 1 1 ACE O O -10.458 -1.860 -1.745 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 10 . 2113 . 1 1 2 TRP C C -10.239 -0.095 1.006 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 10 . 2114 . 1 1 2 TRP CA C -11.358 0.232 -0.028 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 10 . 2115 . 1 1 2 TRP CB C -12.300 1.355 0.499 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 10 . 2116 . 1 1 2 TRP CD1 C -14.376 2.307 -0.802 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 10 . 2117 . 1 1 2 TRP CD2 C -12.411 3.169 -1.396 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 10 . 2118 . 1 1 2 TRP CE2 C -13.451 3.826 -2.102 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 10 . 2119 . 1 1 2 TRP CE3 C -11.061 3.575 -1.566 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 10 . 2120 . 1 1 2 TRP CG C -12.987 2.215 -0.572 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 10 . 2121 . 1 1 2 TRP CH2 C -11.814 5.284 -3.129 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 10 . 2122 . 1 1 2 TRP CZ2 C -13.148 4.905 -2.970 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 10 . 2123 . 1 1 2 TRP CZ3 C -10.786 4.626 -2.441 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 10 . 2124 . 1 1 2 TRP H H -13.083 -1.150 -0.166 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 10 . 2125 . 1 1 2 TRP HA H -10.837 0.645 -0.914 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 10 . 2126 . 1 1 2 TRP HB2 H -13.049 0.927 1.193 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 10 . 2127 . 1 1 2 TRP HB3 H -11.723 2.059 1.131 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 10 . 2128 . 1 1 2 TRP HD1 H -15.124 1.732 -0.274 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 10 . 2129 . 1 1 2 TRP HE1 H -15.611 3.602 -2.072 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 10 . 2130 . 1 1 2 TRP HE3 H -10.259 3.087 -1.030 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 10 . 2131 . 1 1 2 TRP HH2 H -11.570 6.105 -3.787 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 10 . 2132 . 1 1 2 TRP HZ2 H -13.932 5.437 -3.490 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 10 . 2133 . 1 1 2 TRP HZ3 H -9.764 4.946 -2.582 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 10 . 2134 . 1 1 2 TRP N N -12.126 -0.965 -0.482 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 10 . 2135 . 1 1 2 TRP NE1 N -14.684 3.296 -1.756 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 10 . 2136 . 1 1 2 TRP O O -9.080 0.238 0.752 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 10 . 2137 . 1 1 3 ILE C C -8.513 -2.218 2.618 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 10 . 2138 . 1 1 3 ILE CA C -9.531 -1.152 3.161 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 10 . 2139 . 1 1 3 ILE CB C -10.144 -1.514 4.573 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 10 . 2140 . 1 1 3 ILE CD1 C -12.669 -0.789 4.657 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 10 . 2141 . 1 1 3 ILE CG1 C -11.232 -0.540 5.143 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 10 . 2142 . 1 1 3 ILE CG2 C -9.046 -1.640 5.664 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 10 . 2143 . 1 1 3 ILE H H -11.545 -0.998 2.242 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 10 . 2144 . 1 1 3 ILE HA H -8.909 -0.249 3.299 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 10 . 2145 . 1 1 3 ILE HB H -10.605 -2.516 4.493 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 10 . 2146 . 1 1 3 ILE HD11 H -12.976 -1.838 4.818 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 10 . 2147 . 1 1 3 ILE HD12 H -13.386 -0.156 5.211 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 10 . 2148 . 1 1 3 ILE HD13 H -12.803 -0.560 3.587 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 10 . 2149 . 1 1 3 ILE HG12 H -11.287 -0.616 6.246 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 10 . 2150 . 1 1 3 ILE HG13 H -10.946 0.511 4.953 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 10 . 2151 . 1 1 3 ILE HG21 H -8.506 -0.685 5.820 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 10 . 2152 . 1 1 3 ILE HG22 H -9.468 -1.939 6.643 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 10 . 2153 . 1 1 3 ILE HG23 H -8.291 -2.407 5.416 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 10 . 2154 . 1 1 3 ILE N N -10.554 -0.751 2.144 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 10 . 2155 . 1 1 3 ILE O O -7.327 -2.099 2.931 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 10 . 2156 . 1 1 4 GLN C C -7.034 -3.215 0.025 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 10 . 2157 . 1 1 4 GLN CA C -8.001 -4.013 0.956 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 10 . 2158 . 1 1 4 GLN CB C -8.818 -5.074 0.165 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 10 . 2159 . 1 1 4 GLN CD C -8.776 -7.356 -1.058 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 10 . 2160 . 1 1 4 GLN CG C -7.964 -6.256 -0.356 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 10 . 2161 . 1 1 4 GLN H H -9.936 -3.145 1.555 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 10 . 2162 . 1 1 4 GLN HA H -7.365 -4.560 1.681 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 10 . 2163 . 1 1 4 GLN HB2 H -9.612 -5.492 0.814 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 10 . 2164 . 1 1 4 GLN HB3 H -9.354 -4.594 -0.676 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 10 . 2165 . 1 1 4 GLN HE21 H -8.213 -8.699 0.324 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 10 . 2166 . 1 1 4 GLN HE22 H -9.320 -9.286 -1.015 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 10 . 2167 . 1 1 4 GLN HG2 H -7.213 -5.880 -1.076 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 10 . 2168 . 1 1 4 GLN HG3 H -7.371 -6.677 0.482 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 10 . 2169 . 1 1 4 GLN N N -8.933 -3.179 1.765 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 10 . 2170 . 1 1 4 GLN NE2 N -8.783 -8.566 -0.518 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 10 . 2171 . 1 1 4 GLN O O -5.857 -3.568 -0.008 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 10 . 2172 . 1 1 4 GLN OE1 O -9.391 -7.137 -2.101 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 10 . 2173 . 1 1 5 . C C -5.502 -0.572 -0.809 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 10 . 2174 . 1 1 5 . CA C -6.671 -1.303 -1.596 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 10 . 2175 . 1 1 5 . CB1 C -6.127 -2.187 -2.769 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 10 . 2176 . 1 1 5 . CB2 C -7.590 -0.198 -2.199 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 10 . 2177 . 1 1 5 . CG1 C -7.098 -2.801 -3.801 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 10 . 2178 . 1 1 5 . H2 H -8.484 -1.946 -0.561 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 10 . 2179 . 1 1 5 . HB11 H -5.400 -1.579 -3.297 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 10 . 2180 . 1 1 5 . HB12 H -5.518 -3.015 -2.368 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 10 . 2181 . 1 1 5 . HB21 H -8.039 0.459 -1.436 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 10 . 2182 . 1 1 5 . HB22 H -7.032 0.466 -2.886 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 10 . 2183 . 1 1 5 . HB23 H -8.437 -0.608 -2.778 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 10 . 2184 . 1 1 5 . HG11 H -7.604 -2.025 -4.403 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 10 . 2185 . 1 1 5 . HG12 H -6.556 -3.452 -4.509 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 10 . 2186 . 1 1 5 . HG13 H -7.879 -3.414 -3.316 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 10 . 2187 . 1 1 5 . N N -7.503 -2.174 -0.708 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 10 . 2188 . 1 1 5 . O O -4.333 -0.668 -1.198 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 10 . 2189 . 1 1 6 ILE C C -3.851 -0.421 1.924 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 10 . 2190 . 1 1 6 ILE CA C -4.760 0.676 1.249 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 10 . 2191 . 1 1 6 ILE CB C -5.432 1.686 2.255 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 10 . 2192 . 1 1 6 ILE CD1 C -7.533 3.161 1.831 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 10 . 2193 . 1 1 6 ILE CG1 C -6.040 2.950 1.551 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 10 . 2194 . 1 1 6 ILE CG2 C -4.528 2.187 3.415 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 10 . 2195 . 1 1 6 ILE H H -6.796 0.116 0.568 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 10 . 2196 . 1 1 6 ILE HA H -4.069 1.279 0.626 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 10 . 2197 . 1 1 6 ILE HB H -6.244 1.124 2.757 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 10 . 2198 . 1 1 6 ILE HD11 H -7.764 3.113 2.911 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 10 . 2199 . 1 1 6 ILE HD12 H -7.879 4.143 1.461 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 10 . 2200 . 1 1 6 ILE HD13 H -8.144 2.396 1.327 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 10 . 2201 . 1 1 6 ILE HG12 H -5.506 3.878 1.834 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 10 . 2202 . 1 1 6 ILE HG13 H -5.898 2.907 0.454 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 10 . 2203 . 1 1 6 ILE HG21 H -3.625 2.709 3.044 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 10 . 2204 . 1 1 6 ILE HG22 H -5.064 2.896 4.074 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 10 . 2205 . 1 1 6 ILE HG23 H -4.187 1.363 4.068 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 10 . 2206 . 1 1 6 ILE N N -5.800 0.119 0.318 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 10 . 2207 . 1 1 6 ILE O O -2.690 -0.118 2.209 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 10 . 2208 . 1 1 7 THR C C -2.492 -3.342 1.561 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 10 . 2209 . 1 1 7 THR CA C -3.504 -2.805 2.622 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 10 . 2210 . 1 1 7 THR CB C -4.410 -3.897 3.266 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 10 . 2211 . 1 1 7 THR CG2 C -3.678 -5.127 3.836 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 10 . 2212 . 1 1 7 THR H H -5.312 -1.795 1.869 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 10 . 2213 . 1 1 7 THR HA H -2.882 -2.413 3.440 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 10 . 2214 . 1 1 7 THR HB H -5.136 -4.254 2.512 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 10 . 2215 . 1 1 7 THR HG1 H -5.187 -2.386 4.163 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 10 . 2216 . 1 1 7 THR HG21 H -4.385 -5.812 4.340 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 10 . 2217 . 1 1 7 THR HG22 H -3.173 -5.712 3.045 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 10 . 2218 . 1 1 7 THR HG23 H -2.911 -4.838 4.579 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 10 . 2219 . 1 1 7 THR N N -4.335 -1.662 2.149 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 10 . 2220 . 1 1 7 THR O O -1.334 -3.515 1.933 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 10 . 2221 . 1 1 7 THR OG1 O -5.133 -3.327 4.354 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 10 . 2222 . 1 1 8 ABA C C -0.813 -2.717 -1.048 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 10 . 2223 . 1 1 8 ABA CA C -1.910 -3.843 -0.848 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 10 . 2224 . 1 1 8 ABA N N -2.876 -3.576 0.282 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 10 . 2225 . 1 1 8 ABA O O 0.363 -3.000 -1.304 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 10 . 2226 . 1 1 9 LEU C C 0.561 -0.018 0.320 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 10 . 2227 . 1 1 9 LEU CA C -0.312 -0.264 -0.956 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 10 . 2228 . 1 1 9 LEU CB C -1.176 0.971 -1.341 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 10 . 2229 . 1 1 9 LEU CD1 C -2.867 1.949 -3.021 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 10 . 2230 . 1 1 9 LEU CD2 C -0.508 1.471 -3.773 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 10 . 2231 . 1 1 9 LEU CG C -1.646 1.030 -2.829 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 10 . 2232 . 1 1 9 LEU H H -2.203 -1.339 -0.647 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 10 . 2233 . 1 1 9 LEU HA H 0.411 -0.405 -1.780 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 10 . 2234 . 1 1 9 LEU HB2 H -2.049 1.018 -0.663 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 10 . 2235 . 1 1 9 LEU HB3 H -0.614 1.897 -1.119 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 10 . 2236 . 1 1 9 LEU HD11 H -2.659 2.992 -2.715 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 10 . 2237 . 1 1 9 LEU HD12 H -3.194 1.976 -4.079 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 10 . 2238 . 1 1 9 LEU HD13 H -3.739 1.603 -2.434 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 10 . 2239 . 1 1 9 LEU HD21 H 0.372 0.806 -3.702 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 10 . 2240 . 1 1 9 LEU HD22 H -0.825 1.462 -4.834 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 10 . 2241 . 1 1 9 LEU HD23 H -0.158 2.495 -3.540 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 10 . 2242 . 1 1 9 LEU HG H -1.969 0.022 -3.142 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 10 . 2243 . 1 1 9 LEU N N -1.219 -1.441 -0.917 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 10 . 2244 . 1 1 9 LEU O O 1.543 0.720 0.206 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 10 . 2245 . 1 1 10 ABA C C 2.553 -1.152 2.522 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 10 . 2246 . 1 1 10 ABA CA C 1.091 -0.562 2.750 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 10 . 2247 . 1 1 10 ABA N N 0.254 -0.622 1.504 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 10 . 2248 . 1 1 10 ABA O O 3.505 -0.405 2.766 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 10 . 2249 . 1 1 11 HYP C C 4.728 -2.066 0.208 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 10 . 2250 . 1 1 11 HYP CA C 4.179 -2.788 1.486 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 10 . 2251 . 1 1 11 HYP CB C 4.044 -4.311 1.288 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 10 . 2252 . 1 1 11 HYP CD C 1.860 -3.490 1.869 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 10 . 2253 . 1 1 11 HYP CG C 2.558 -4.558 1.030 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 10 . 2254 . 1 1 11 HYP HA H 4.920 -2.626 2.289 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 10 . 2255 . 1 1 11 HYP HB2 H 4.678 -4.713 0.474 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 10 . 2256 . 1 1 11 HYP HB3 H 4.359 -4.840 2.208 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 10 . 2257 . 1 1 11 HYP HD1 H 1.199 -5.827 1.516 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 10 . 2258 . 1 1 11 HYP HD22 H 0.940 -3.172 1.363 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 10 . 2259 . 1 1 11 HYP HD23 H 1.603 -3.883 2.874 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 10 . 2260 . 1 1 11 HYP HG H 2.332 -4.414 -0.046 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 10 . 2261 . 1 1 11 HYP N N 2.832 -2.396 1.997 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 10 . 2262 . 1 1 11 HYP O O 5.909 -2.269 -0.098 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 10 . 2263 . 1 1 11 HYP OD1 O 2.156 -5.859 1.439 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 10 . 2264 . 1 1 12 GLN C C 4.820 1.186 -0.993 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 10 . 2265 . 1 1 12 GLN CA C 4.496 -0.254 -1.502 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 10 . 2266 . 1 1 12 GLN CB C 3.541 -0.187 -2.724 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 10 . 2267 . 1 1 12 GLN CD C 2.437 -1.380 -4.714 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 10 . 2268 . 1 1 12 GLN CG C 3.186 -1.538 -3.375 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 10 . 2269 . 1 1 12 GLN H H 3.026 -1.005 -0.098 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 10 . 2270 . 1 1 12 GLN HA H 5.469 -0.638 -1.843 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 10 . 2271 . 1 1 12 GLN HB2 H 2.608 0.337 -2.452 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 10 . 2272 . 1 1 12 GLN HB3 H 4.011 0.457 -3.489 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 10 . 2273 . 1 1 12 GLN HE21 H 0.853 -2.386 -3.996 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 10 . 2274 . 1 1 12 GLN HE22 H 0.781 -1.791 -5.736 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 10 . 2275 . 1 1 12 GLN HG2 H 4.111 -2.122 -3.535 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 10 . 2276 . 1 1 12 GLN HG3 H 2.593 -2.114 -2.632 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 10 . 2277 . 1 1 12 GLN N N 3.956 -1.191 -0.477 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 10 . 2278 . 1 1 12 GLN NE2 N 1.225 -1.898 -4.822 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 10 . 2279 . 1 1 12 GLN O O 5.068 2.053 -1.832 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 10 . 2280 . 1 1 12 GLN OE1 O 2.942 -0.797 -5.670 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 10 . 2281 . 1 1 13 ABA C C 7.242 1.883 1.111 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 10 . 2282 . 1 1 13 ABA CA C 5.752 2.466 0.996 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 10 . 2283 . 1 1 13 ABA N N 4.887 1.436 0.338 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 10 . 2284 . 1 1 13 ABA O O 8.145 2.442 0.472 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 10 . 2285 . 1 1 14 HYP C C 9.603 -0.364 0.592 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 10 . 2286 . 1 1 14 HYP CA C 8.966 0.215 1.893 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 10 . 2287 . 1 1 14 HYP CB C 8.917 -0.842 3.017 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 10 . 2288 . 1 1 14 HYP CD C 6.645 -0.074 2.585 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 10 . 2289 . 1 1 14 HYP CG C 7.449 -1.170 3.283 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 10 . 2290 . 1 1 14 HYP HA H 9.627 1.032 2.246 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 10 . 2291 . 1 1 14 HYP HB2 H 9.471 -1.764 2.757 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 10 . 2292 . 1 1 14 HYP HB3 H 9.400 -0.441 3.930 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 10 . 2293 . 1 1 14 HYP HD1 H 7.441 -0.318 5.004 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 10 . 2294 . 1 1 14 HYP HD22 H 5.905 -0.519 1.913 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 10 . 2295 . 1 1 14 HYP HD23 H 6.088 0.517 3.312 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 10 . 2296 . 1 1 14 HYP HG H 7.195 -2.158 2.861 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 10 . 2297 . 1 1 14 HYP N N 7.585 0.755 1.823 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 10 . 2298 . 1 1 14 HYP O O 10.811 -0.173 0.426 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 10 . 2299 . 1 1 14 HYP OD1 O 7.181 -1.184 4.680 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 10 . 2300 . 1 1 15 ABA C C 10.023 -0.553 -2.532 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 10 . 2301 . 1 1 15 ABA CA C 9.397 -1.652 -1.569 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 10 . 2302 . 1 1 15 ABA N N 8.856 -1.081 -0.292 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 10 . 2303 . 1 1 15 ABA O O 11.163 -0.755 -2.974 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 10 . 2304 . 1 1 16 PRO C C 11.147 2.544 -2.472 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 10 . 2305 . 1 1 16 PRO CA C 10.164 1.793 -3.413 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 10 . 2306 . 1 1 16 PRO CB C 9.055 2.698 -3.978 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 10 . 2307 . 1 1 16 PRO CD C 8.013 0.980 -2.566 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 10 . 2308 . 1 1 16 PRO CG C 7.804 2.376 -3.166 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 10 . 2309 . 1 1 16 PRO HA H 10.782 1.431 -4.238 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 10 . 2310 . 1 1 16 PRO HB2 H 9.303 3.776 -3.937 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 10 . 2311 . 1 1 16 PRO HB3 H 8.881 2.462 -5.044 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 10 . 2312 . 1 1 16 PRO HD2 H 7.813 1.006 -1.485 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 10 . 2313 . 1 1 16 PRO HD3 H 7.320 0.230 -2.973 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 10 . 2314 . 1 1 16 PRO HG2 H 7.685 3.119 -2.357 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 10 . 2315 . 1 1 16 PRO HG3 H 6.892 2.435 -3.787 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 10 . 2316 . 1 1 16 PRO N N 9.416 0.640 -2.851 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 10 . 2317 . 1 1 16 PRO O O 12.094 3.144 -2.986 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 10 . 2318 . 1 1 17 PHL C C 12.251 2.605 0.954 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 10 . 2319 . 1 1 17 PHL CA C 11.671 3.428 -0.214 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 10 . 2320 . 1 1 17 PHL CB C 10.752 4.582 0.267 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 10 . 2321 . 1 1 17 PHL CD1 C 11.136 6.288 -1.599 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 10 . 2322 . 1 1 17 PHL CD2 C 8.870 5.614 -1.113 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 10 . 2323 . 1 1 17 PHL CE1 C 10.674 7.099 -2.635 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 10 . 2324 . 1 1 17 PHL CE2 C 8.407 6.430 -2.145 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 10 . 2325 . 1 1 17 PHL CG C 10.237 5.540 -0.833 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 10 . 2326 . 1 1 17 PHL CZ C 9.309 7.174 -2.900 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 10 . 2327 . 1 1 17 PHL H2 H 10.037 2.074 -0.877 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 10 . 2328 . 1 1 17 PHL HA H 12.542 3.887 -0.721 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 10 . 2329 . 1 1 17 PHL HB2 H 9.907 4.135 0.824 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 10 . 2330 . 1 1 17 PHL HB3 H 11.303 5.186 1.011 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 10 . 2331 . 1 1 17 PHL HC1 H 12.786 1.712 0.577 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 10 . 2332 . 1 1 17 PHL HC2 H 11.453 2.233 1.621 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 10 . 2333 . 1 1 17 PHL HD1 H 12.198 6.205 -1.425 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 10 . 2334 . 1 1 17 PHL HD2 H 8.166 5.017 -0.556 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 10 . 2335 . 1 1 17 PHL HE1 H 11.376 7.656 -3.235 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 10 . 2336 . 1 1 17 PHL HE2 H 7.351 6.475 -2.362 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 10 . 2337 . 1 1 17 PHL HO H 13.838 3.683 1.091 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 10 . 2338 . 1 1 17 PHL HZ H 8.951 7.808 -3.697 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 10 . 2339 . 1 1 17 PHL N N 10.916 2.546 -1.144 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 10 . 2340 . 1 1 17 PHL O O 13.166 3.388 1.712 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
. 11 . 2341 . 1 1 1 ACE C C -11.679 -1.578 -1.144 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 11 . 2342 . 1 1 1 ACE CH3 C -12.639 -2.740 -1.402 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 11 . 2343 . 1 1 1 ACE H1 H -13.658 -2.392 -1.657 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 11 . 2344 . 1 1 1 ACE H2 H -12.287 -3.361 -2.246 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 11 . 2345 . 1 1 1 ACE H3 H -12.715 -3.402 -0.518 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 11 . 2346 . 1 1 1 ACE O O -10.540 -1.601 -1.617 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 11 . 2347 . 1 1 2 TRP C C -10.159 0.273 1.012 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 11 . 2348 . 1 1 2 TRP CA C -11.318 0.603 0.025 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 11 . 2349 . 1 1 2 TRP CB C -12.237 1.735 0.580 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 11 . 2350 . 1 1 2 TRP CD1 C -13.694 2.397 -1.512 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 11 . 2351 . 1 1 2 TRP CD2 C -12.613 4.083 -0.538 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 11 . 2352 . 1 1 2 TRP CE2 C -13.391 4.576 -1.615 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 11 . 2353 . 1 1 2 TRP CE3 C -11.861 4.977 0.272 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 11 . 2354 . 1 1 2 TRP CG C -12.801 2.711 -0.464 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 11 . 2355 . 1 1 2 TRP CH2 C -12.698 6.830 -1.068 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 11 . 2356 . 1 1 2 TRP CZ2 C -13.439 5.968 -1.880 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 11 . 2357 . 1 1 2 TRP CZ3 C -11.920 6.342 -0.013 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 11 . 2358 . 1 1 2 TRP H H -13.106 -0.708 -0.036 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 11 . 2359 . 1 1 2 TRP HA H -10.823 0.983 -0.892 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 11 . 2360 . 1 1 2 TRP HB2 H -13.069 1.304 1.170 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 11 . 2361 . 1 1 2 TRP HB3 H -11.683 2.330 1.331 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 11 . 2362 . 1 1 2 TRP HD1 H -14.066 1.405 -1.722 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 11 . 2363 . 1 1 2 TRP HE1 H -14.706 3.600 -3.042 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 11 . 2364 . 1 1 2 TRP HE3 H -11.264 4.621 1.099 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 11 . 2365 . 1 1 2 TRP HH2 H -12.736 7.895 -1.253 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 11 . 2366 . 1 1 2 TRP HZ2 H -14.049 6.361 -2.680 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 11 . 2367 . 1 1 2 TRP HZ3 H -11.363 7.037 0.600 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 11 . 2368 . 1 1 2 TRP N N -12.142 -0.583 -0.369 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 11 . 2369 . 1 1 2 TRP NE1 N -14.062 3.540 -2.246 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 11 . 2370 . 1 1 2 TRP O O -9.003 0.603 0.727 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 11 . 2371 . 1 1 3 ILE C C -8.462 -1.939 2.523 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 11 . 2372 . 1 1 3 ILE CA C -9.415 -0.848 3.119 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 11 . 2373 . 1 1 3 ILE CB C -10.051 -1.250 4.507 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 11 . 2374 . 1 1 3 ILE CD1 C -12.056 -0.728 6.094 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 11 . 2375 . 1 1 3 ILE CG1 C -10.965 -0.164 5.167 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 11 . 2376 . 1 1 3 ILE CG2 C -8.982 -1.666 5.555 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 11 . 2377 . 1 1 3 ILE H H -11.452 -0.610 2.274 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 11 . 2378 . 1 1 3 ILE HA H -8.757 0.025 3.271 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 11 . 2379 . 1 1 3 ILE HB H -10.676 -2.144 4.313 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 11 . 2380 . 1 1 3 ILE HD11 H -11.638 -1.334 6.920 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 11 . 2381 . 1 1 3 ILE HD12 H -12.644 0.086 6.554 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 11 . 2382 . 1 1 3 ILE HD13 H -12.765 -1.371 5.540 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 11 . 2383 . 1 1 3 ILE HG12 H -10.351 0.571 5.723 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 11 . 2384 . 1 1 3 ILE HG13 H -11.485 0.442 4.403 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 11 . 2385 . 1 1 3 ILE HG21 H -8.261 -0.848 5.746 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 11 . 2386 . 1 1 3 ILE HG22 H -9.429 -1.941 6.528 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 11 . 2387 . 1 1 3 ILE HG23 H -8.398 -2.547 5.228 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 11 . 2388 . 1 1 3 ILE N N -10.457 -0.387 2.152 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 11 . 2389 . 1 1 3 ILE O O -7.256 -1.867 2.771 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 11 . 2390 . 1 1 4 GLN C C -7.159 -3.215 -0.082 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 11 . 2391 . 1 1 4 GLN CA C -8.144 -3.850 0.942 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 11 . 2392 . 1 1 4 GLN CB C -9.078 -4.896 0.271 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 11 . 2393 . 1 1 4 GLN CD C -9.683 -7.417 0.164 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 11 . 2394 . 1 1 4 GLN CG C -8.591 -6.360 0.417 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 11 . 2395 . 1 1 4 GLN H H -9.985 -2.809 1.558 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 11 . 2396 . 1 1 4 GLN HA H -7.513 -4.366 1.692 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 11 . 2397 . 1 1 4 GLN HB2 H -10.098 -4.841 0.704 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 11 . 2398 . 1 1 4 GLN HB3 H -9.244 -4.671 -0.800 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 11 . 2399 . 1 1 4 GLN HE21 H -10.119 -7.473 2.124 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 11 . 2400 . 1 1 4 GLN HE22 H -11.072 -8.590 1.026 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 11 . 2401 . 1 1 4 GLN HG2 H -7.747 -6.542 -0.272 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 11 . 2402 . 1 1 4 GLN HG3 H -8.165 -6.520 1.430 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 11 . 2403 . 1 1 4 GLN N N -8.976 -2.894 1.722 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 11 . 2404 . 1 1 4 GLN NE2 N -10.362 -7.872 1.210 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 11 . 2405 . 1 1 4 GLN O O -6.031 -3.699 -0.189 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 11 . 2406 . 1 1 4 GLN OE1 O -9.922 -7.838 -0.966 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 11 . 2407 . 1 1 5 . C C -5.510 -0.634 -0.921 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 11 . 2408 . 1 1 5 . CA C -6.707 -1.321 -1.702 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 11 . 2409 . 1 1 5 . CB1 C -6.203 -2.213 -2.882 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 11 . 2410 . 1 1 5 . CB2 C -7.581 -0.170 -2.293 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 11 . 2411 . 1 1 5 . CG1 C -7.179 -2.756 -3.945 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 11 . 2412 . 1 1 5 . H2 H -8.496 -1.806 -0.559 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 11 . 2413 . 1 1 5 . HB11 H -5.456 -1.614 -3.386 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 11 . 2414 . 1 1 5 . HB12 H -5.624 -3.071 -2.500 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 11 . 2415 . 1 1 5 . HB21 H -8.004 0.487 -1.515 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 11 . 2416 . 1 1 5 . HB22 H -6.997 0.485 -2.970 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 11 . 2417 . 1 1 5 . HB23 H -8.443 -0.539 -2.878 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 11 . 2418 . 1 1 5 . HG11 H -7.656 -1.942 -4.519 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 11 . 2419 . 1 1 5 . HG12 H -6.643 -3.386 -4.678 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 11 . 2420 . 1 1 5 . HG13 H -7.982 -3.370 -3.498 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 11 . 2421 . 1 1 5 . N N -7.572 -2.150 -0.811 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 11 . 2422 . 1 1 5 . O O -4.349 -0.754 -1.324 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 11 . 2423 . 1 1 6 ILE C C -3.836 -0.500 1.819 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 11 . 2424 . 1 1 6 ILE CA C -4.703 0.612 1.110 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 11 . 2425 . 1 1 6 ILE CB C -5.321 1.672 2.098 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 11 . 2426 . 1 1 6 ILE CD1 C -7.316 3.325 2.144 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 11 . 2427 . 1 1 6 ILE CG1 C -6.059 2.860 1.392 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 11 . 2428 . 1 1 6 ILE CG2 C -4.311 2.298 3.101 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 11 . 2429 . 1 1 6 ILE H H -6.768 0.077 0.477 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 11 . 2430 . 1 1 6 ILE HA H -3.996 1.171 0.464 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 11 . 2431 . 1 1 6 ILE HB H -6.059 1.117 2.708 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 11 . 2432 . 1 1 6 ILE HD11 H -7.085 3.673 3.167 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 11 . 2433 . 1 1 6 ILE HD12 H -7.815 4.159 1.617 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 11 . 2434 . 1 1 6 ILE HD13 H -8.056 2.509 2.236 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 11 . 2435 . 1 1 6 ILE HG12 H -5.381 3.723 1.235 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 11 . 2436 . 1 1 6 ILE HG13 H -6.370 2.591 0.367 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 11 . 2437 . 1 1 6 ILE HG21 H -3.459 2.784 2.589 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 11 . 2438 . 1 1 6 ILE HG22 H -4.781 3.071 3.739 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 11 . 2439 . 1 1 6 ILE HG23 H -3.890 1.550 3.796 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 11 . 2440 . 1 1 6 ILE N N -5.776 0.058 0.215 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 11 . 2441 . 1 1 6 ILE O O -2.693 -0.213 2.184 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 11 . 2442 . 1 1 7 THR C C -2.549 -3.454 1.382 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 11 . 2443 . 1 1 7 THR CA C -3.545 -2.916 2.453 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 11 . 2444 . 1 1 7 THR CB C -4.491 -3.995 3.063 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 11 . 2445 . 1 1 7 THR CG2 C -3.798 -5.252 3.624 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 11 . 2446 . 1 1 7 THR H H -5.283 -1.865 1.600 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 11 . 2447 . 1 1 7 THR HA H -2.914 -2.563 3.281 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 11 . 2448 . 1 1 7 THR HB H -5.205 -4.328 2.288 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 11 . 2449 . 1 1 7 THR HG1 H -5.615 -2.614 3.794 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 11 . 2450 . 1 1 7 THR HG21 H -4.528 -5.928 4.108 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 11 . 2451 . 1 1 7 THR HG22 H -3.304 -5.836 2.826 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 11 . 2452 . 1 1 7 THR HG23 H -3.031 -5.001 4.379 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 11 . 2453 . 1 1 7 THR N N -4.338 -1.745 1.983 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 11 . 2454 . 1 1 7 THR O O -1.381 -3.619 1.728 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 11 . 2455 . 1 1 7 THR OG1 O -5.234 -3.427 4.137 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 11 . 2456 . 1 1 8 ABA C C -0.886 -2.830 -1.217 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 11 . 2457 . 1 1 8 ABA CA C -2.005 -3.937 -1.038 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 11 . 2458 . 1 1 8 ABA N N -2.956 -3.693 0.111 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 11 . 2459 . 1 1 8 ABA O O 0.284 -3.128 -1.482 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 11 . 2460 . 1 1 9 LEU C C 0.519 -0.128 0.171 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 11 . 2461 . 1 1 9 LEU CA C -0.342 -0.385 -1.112 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 11 . 2462 . 1 1 9 LEU CB C -1.181 0.854 -1.534 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 11 . 2463 . 1 1 9 LEU CD1 C -2.838 1.800 -3.268 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 11 . 2464 . 1 1 9 LEU CD2 C -0.442 1.360 -3.936 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 11 . 2465 . 1 1 9 LEU CG C -1.605 0.903 -3.034 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 11 . 2466 . 1 1 9 LEU H H -2.247 -1.428 -0.788 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 11 . 2467 . 1 1 9 LEU HA H 0.389 -0.551 -1.923 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 11 . 2468 . 1 1 9 LEU HB2 H -2.072 0.921 -0.880 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 11 . 2469 . 1 1 9 LEU HB3 H -0.613 1.772 -1.305 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 11 . 2470 . 1 1 9 LEU HD11 H -2.669 2.840 -2.933 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 11 . 2471 . 1 1 9 LEU HD12 H -3.113 1.841 -4.340 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 11 . 2472 . 1 1 9 LEU HD13 H -3.729 1.422 -2.733 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 11 . 2473 . 1 1 9 LEU HD21 H 0.443 0.706 -3.834 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 11 . 2474 . 1 1 9 LEU HD22 H -0.720 1.350 -5.008 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 11 . 2475 . 1 1 9 LEU HD23 H -0.114 2.387 -3.691 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 11 . 2476 . 1 1 9 LEU HG H -1.901 -0.110 -3.356 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 11 . 2477 . 1 1 9 LEU N N -1.267 -1.547 -1.062 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 11 . 2478 . 1 1 9 LEU O O 1.502 0.610 0.058 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 11 . 2479 . 1 1 10 ABA C C 2.492 -1.199 2.420 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 11 . 2480 . 1 1 10 ABA CA C 1.018 -0.628 2.614 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 11 . 2481 . 1 1 10 ABA N N 0.198 -0.713 1.357 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 11 . 2482 . 1 1 10 ABA O O 3.427 -0.437 2.680 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 11 . 2483 . 1 1 11 HYP C C 4.733 -2.088 0.170 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 11 . 2484 . 1 1 11 HYP CA C 4.160 -2.820 1.433 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 11 . 2485 . 1 1 11 HYP CB C 4.054 -4.345 1.237 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 11 . 2486 . 1 1 11 HYP CD C 1.848 -3.556 1.789 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 11 . 2487 . 1 1 11 HYP CG C 2.576 -4.621 0.967 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 11 . 2488 . 1 1 11 HYP HA H 4.878 -2.645 2.254 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 11 . 2489 . 1 1 11 HYP HB2 H 4.699 -4.736 0.429 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 11 . 2490 . 1 1 11 HYP HB3 H 4.373 -4.867 2.157 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 11 . 2491 . 1 1 11 HYP HD1 H 1.223 -5.938 1.336 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 11 . 2492 . 1 1 11 HYP HD22 H 0.923 -3.264 1.275 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 11 . 2493 . 1 1 11 HYP HD23 H 1.597 -3.942 2.798 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 11 . 2494 . 1 1 11 HYP HG H 2.355 -4.490 -0.112 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 11 . 2495 . 1 1 11 HYP N N 2.799 -2.441 1.911 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 11 . 2496 . 1 1 11 HYP O O 5.920 -2.280 -0.115 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 11 . 2497 . 1 1 11 HYP OD1 O 2.182 -5.922 1.386 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 11 . 2498 . 1 1 12 GLN C C 4.806 1.177 -1.026 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 11 . 2499 . 1 1 12 GLN CA C 4.518 -0.271 -1.539 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 11 . 2500 . 1 1 12 GLN CB C 3.588 -0.226 -2.783 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 11 . 2501 . 1 1 12 GLN CD C 2.533 -1.455 -4.782 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 11 . 2502 . 1 1 12 GLN CG C 3.258 -1.584 -3.430 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 11 . 2503 . 1 1 12 GLN H H 3.031 -1.041 -0.159 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 11 . 2504 . 1 1 12 GLN HA H 5.504 -0.643 -1.857 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 11 . 2505 . 1 1 12 GLN HB2 H 2.642 0.290 -2.533 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 11 . 2506 . 1 1 12 GLN HB3 H 4.067 0.415 -3.540 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 11 . 2507 . 1 1 12 GLN HE21 H 0.993 -2.545 -4.104 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 11 . 2508 . 1 1 12 GLN HE22 H 0.920 -1.950 -5.845 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 11 . 2509 . 1 1 12 GLN HG2 H 4.193 -2.156 -3.558 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 11 . 2510 . 1 1 12 GLN HG3 H 2.654 -2.163 -2.694 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 11 . 2511 . 1 1 12 GLN N N 3.967 -1.216 -0.521 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 11 . 2512 . 1 1 12 GLN NE2 N 1.353 -2.032 -4.915 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 11 . 2513 . 1 1 12 GLN O O 5.043 2.049 -1.863 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 11 . 2514 . 1 1 12 GLN OE1 O 3.024 -0.839 -5.723 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 11 . 2515 . 1 1 13 ABA C C 7.179 1.895 1.129 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 11 . 2516 . 1 1 13 ABA CA C 5.690 2.469 0.978 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 11 . 2517 . 1 1 13 ABA N N 4.854 1.423 0.305 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 11 . 2518 . 1 1 13 ABA O O 8.098 2.457 0.511 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 11 . 2519 . 1 1 14 HYP C C 9.568 -0.336 0.674 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 11 . 2520 . 1 1 14 HYP CA C 8.896 0.239 1.958 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 11 . 2521 . 1 1 14 HYP CB C 8.823 -0.816 3.082 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 11 . 2522 . 1 1 14 HYP CD C 6.555 -0.058 2.597 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 11 . 2523 . 1 1 14 HYP CG C 7.348 -1.147 3.315 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 11 . 2524 . 1 1 14 HYP HA H 9.543 1.058 2.328 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 11 . 2525 . 1 1 14 HYP HB2 H 9.382 -1.738 2.833 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 11 . 2526 . 1 1 14 HYP HB3 H 9.284 -0.418 4.008 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 11 . 2527 . 1 1 14 HYP HD1 H 7.302 -0.290 5.031 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 11 . 2528 . 1 1 14 HYP HD22 H 5.831 -0.507 1.908 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 11 . 2529 . 1 1 14 HYP HD23 H 5.985 0.538 3.310 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 11 . 2530 . 1 1 14 HYP HG H 7.104 -2.137 2.891 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 11 . 2531 . 1 1 14 HYP N N 7.512 0.770 1.852 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 11 . 2532 . 1 1 14 HYP O O 10.777 -0.134 0.533 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 11 . 2533 . 1 1 14 HYP OD1 O 7.052 -1.158 4.707 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 11 . 2534 . 1 1 15 ABA C C 10.055 -0.532 -2.447 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 11 . 2535 . 1 1 15 ABA CA C 9.426 -1.634 -1.488 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 11 . 2536 . 1 1 15 ABA N N 8.851 -1.065 -0.225 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 11 . 2537 . 1 1 15 ABA O O 11.203 -0.727 -2.869 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 11 . 2538 . 1 1 16 PRO C C 11.162 2.565 -2.371 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 11 . 2539 . 1 1 16 PRO CA C 10.192 1.815 -3.327 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 11 . 2540 . 1 1 16 PRO CB C 9.088 2.723 -3.894 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 11 . 2541 . 1 1 16 PRO CD C 8.035 0.985 -2.512 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 11 . 2542 . 1 1 16 PRO CG C 7.837 2.395 -3.084 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 11 . 2543 . 1 1 16 PRO HA H 10.817 1.459 -4.150 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 11 . 2544 . 1 1 16 PRO HB2 H 9.336 3.800 -3.844 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 11 . 2545 . 1 1 16 PRO HB3 H 8.916 2.500 -4.964 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 11 . 2546 . 1 1 16 PRO HD2 H 7.814 0.991 -1.435 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 11 . 2547 . 1 1 16 PRO HD3 H 7.353 0.242 -2.948 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 11 . 2548 . 1 1 16 PRO HG2 H 7.734 3.120 -2.258 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 11 . 2549 . 1 1 16 PRO HG3 H 6.923 2.480 -3.698 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 11 . 2550 . 1 1 16 PRO N N 9.444 0.654 -2.780 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 11 . 2551 . 1 1 16 PRO O O 12.125 3.156 -2.870 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 11 . 2552 . 1 1 17 PHL C C 12.180 2.625 1.079 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 11 . 2553 . 1 1 17 PHL CA C 11.642 3.458 -0.105 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 11 . 2554 . 1 1 17 PHL CB C 10.711 4.612 0.355 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 11 . 2555 . 1 1 17 PHL CD1 C 11.055 6.248 -1.591 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 11 . 2556 . 1 1 17 PHL CD2 C 8.797 5.669 -0.961 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 11 . 2557 . 1 1 17 PHL CE1 C 10.561 7.040 -2.624 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 11 . 2558 . 1 1 17 PHL CE2 C 8.305 6.464 -1.992 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 11 . 2559 . 1 1 17 PHL CG C 10.176 5.553 -0.751 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 11 . 2560 . 1 1 17 PHL CZ C 9.188 7.151 -2.821 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 11 . 2561 . 1 1 17 PHL H2 H 10.019 2.107 -0.799 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 11 . 2562 . 1 1 17 PHL HA H 12.528 3.914 -0.591 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 11 . 2563 . 1 1 17 PHL HB2 H 9.868 4.157 0.913 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 11 . 2564 . 1 1 17 PHL HB3 H 11.247 5.230 1.097 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 11 . 2565 . 1 1 17 PHL HC1 H 12.733 1.737 0.721 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 11 . 2566 . 1 1 17 PHL HC2 H 11.348 2.252 1.703 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 11 . 2567 . 1 1 17 PHL HD1 H 12.123 6.136 -1.471 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 11 . 2568 . 1 1 17 PHL HD2 H 8.106 5.123 -0.341 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 11 . 2569 . 1 1 17 PHL HE1 H 11.244 7.556 -3.283 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 11 . 2570 . 1 1 17 PHL HE2 H 7.240 6.536 -2.155 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 11 . 2571 . 1 1 17 PHL HO H 13.814 3.608 1.363 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 11 . 2572 . 1 1 17 PHL HZ H 8.805 7.771 -3.619 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 11 . 2573 . 1 1 17 PHL N N 10.903 2.579 -1.049 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 11 . 2574 . 1 1 17 PHL O O 13.052 3.388 1.904 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
. 12 . 2575 . 1 1 1 ACE C C -11.674 -1.589 -1.004 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 12 . 2576 . 1 1 1 ACE CH3 C -12.670 -2.746 -0.995 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 12 . 2577 . 1 1 1 ACE H1 H -13.714 -2.407 -1.127 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 12 . 2578 . 1 1 1 ACE H2 H -12.450 -3.460 -1.808 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 12 . 2579 . 1 1 1 ACE H3 H -12.620 -3.306 -0.044 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 12 . 2580 . 1 1 1 ACE O O -10.602 -1.700 -1.602 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 12 . 2581 . 1 1 2 TRP C C -9.981 0.259 0.995 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 12 . 2582 . 1 1 2 TRP CA C -11.086 0.635 -0.040 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 12 . 2583 . 1 1 2 TRP CB C -11.877 1.921 0.345 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 12 . 2584 . 1 1 2 TRP CD1 C -9.819 3.626 0.542 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 12 . 2585 . 1 1 2 TRP CD2 C -11.761 4.508 -0.078 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 12 . 2586 . 1 1 2 TRP CE2 C -10.778 5.527 0.019 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 12 . 2587 . 1 1 2 TRP CE3 C -13.099 4.839 -0.418 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 12 . 2588 . 1 1 2 TRP CG C -11.167 3.294 0.243 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 12 . 2589 . 1 1 2 TRP CH2 C -12.448 7.183 -0.538 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 12 . 2590 . 1 1 2 TRP CZ2 C -11.127 6.881 -0.206 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 12 . 2591 . 1 1 2 TRP CZ3 C -13.418 6.180 -0.645 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 12 . 2592 . 1 1 2 TRP H H -12.939 -0.563 0.160 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 12 . 2593 . 1 1 2 TRP HA H -10.579 0.864 -0.998 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 12 . 2594 . 1 1 2 TRP HB2 H -12.774 1.979 -0.301 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 12 . 2595 . 1 1 2 TRP HB3 H -12.292 1.818 1.365 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 12 . 2596 . 1 1 2 TRP HD1 H -9.070 2.936 0.887 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 12 . 2597 . 1 1 2 TRP HE1 H -8.670 5.493 0.530 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 12 . 2598 . 1 1 2 TRP HE3 H -13.862 4.079 -0.494 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 12 . 2599 . 1 1 2 TRP HH2 H -12.727 8.212 -0.710 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 12 . 2600 . 1 1 2 TRP HZ2 H -10.392 7.666 -0.111 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 12 . 2601 . 1 1 2 TRP HZ3 H -14.434 6.446 -0.900 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 12 . 2602 . 1 1 2 TRP N N -12.027 -0.497 -0.304 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 12 . 2603 . 1 1 2 TRP NE1 N -9.554 4.997 0.386 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 12 . 2604 . 1 1 2 TRP O O -8.805 0.508 0.726 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 12 . 2605 . 1 1 3 ILE C C -8.439 -2.113 2.483 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 12 . 2606 . 1 1 3 ILE CA C -9.308 -0.950 3.069 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 12 . 2607 . 1 1 3 ILE CB C -9.922 -1.224 4.489 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 12 . 2608 . 1 1 3 ILE CD1 C -8.062 -0.124 5.954 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 12 . 2609 . 1 1 3 ILE CG1 C -8.869 -1.390 5.626 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 12 . 2610 . 1 1 3 ILE CG2 C -10.919 -2.410 4.537 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 12 . 2611 . 1 1 3 ILE H H -11.330 -0.555 2.245 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 12 . 2612 . 1 1 3 ILE HA H -8.576 -0.135 3.190 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 12 . 2613 . 1 1 3 ILE HB H -10.519 -0.333 4.767 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 12 . 2614 . 1 1 3 ILE HD11 H -8.722 0.714 6.246 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 12 . 2615 . 1 1 3 ILE HD12 H -7.370 -0.303 6.798 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 12 . 2616 . 1 1 3 ILE HD13 H -7.446 0.216 5.102 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 12 . 2617 . 1 1 3 ILE HG12 H -9.371 -1.700 6.561 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 12 . 2618 . 1 1 3 ILE HG13 H -8.173 -2.214 5.392 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 12 . 2619 . 1 1 3 ILE HG21 H -10.432 -3.381 4.336 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 12 . 2620 . 1 1 3 ILE HG22 H -11.403 -2.493 5.528 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 12 . 2621 . 1 1 3 ILE HG23 H -11.733 -2.295 3.800 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 12 . 2622 . 1 1 3 ILE N N -10.326 -0.367 2.143 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 12 . 2623 . 1 1 3 ILE O O -7.254 -2.181 2.811 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 12 . 2624 . 1 1 4 GLN C C -7.138 -3.197 -0.197 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 12 . 2625 . 1 1 4 GLN CA C -8.148 -3.898 0.760 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 12 . 2626 . 1 1 4 GLN CB C -9.079 -4.878 -0.005 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 12 . 2627 . 1 1 4 GLN CD C -9.315 -7.215 -1.146 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 12 . 2628 . 1 1 4 GLN CG C -8.397 -6.202 -0.434 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 12 . 2629 . 1 1 4 GLN H H -9.971 -2.820 1.391 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 12 . 2630 . 1 1 4 GLN HA H -7.543 -4.493 1.473 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 12 . 2631 . 1 1 4 GLN HB2 H -9.951 -5.143 0.624 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 12 . 2632 . 1 1 4 GLN HB3 H -9.509 -4.375 -0.892 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 12 . 2633 . 1 1 4 GLN HE21 H -8.015 -8.676 -0.708 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 12 . 2634 . 1 1 4 GLN HE22 H -9.524 -9.153 -1.630 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 12 . 2635 . 1 1 4 GLN HG2 H -7.537 -5.986 -1.096 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 12 . 2636 . 1 1 4 GLN HG3 H -7.958 -6.675 0.469 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 12 . 2637 . 1 1 4 GLN N N -8.974 -2.967 1.583 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 12 . 2638 . 1 1 4 GLN NE2 N -8.910 -8.476 -1.167 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 12 . 2639 . 1 1 4 GLN O O -5.995 -3.652 -0.269 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 12 . 2640 . 1 1 4 GLN OE1 O -10.372 -6.894 -1.691 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 12 . 2641 . 1 1 5 . C C -5.458 -0.633 -1.029 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 12 . 2642 . 1 1 5 . CA C -6.674 -1.294 -1.807 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 12 . 2643 . 1 1 5 . CB1 C -6.202 -2.191 -3.001 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 12 . 2644 . 1 1 5 . CB2 C -7.570 -0.145 -2.368 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 12 . 2645 . 1 1 5 . CG1 C -7.210 -2.713 -4.047 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 12 . 2646 . 1 1 5 . H2 H -8.480 -1.788 -0.709 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 12 . 2647 . 1 1 5 . HB11 H -5.436 -1.615 -3.509 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 12 . 2648 . 1 1 5 . HB12 H -5.646 -3.067 -2.627 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 12 . 2649 . 1 1 5 . HB21 H -7.940 0.537 -1.582 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 12 . 2650 . 1 1 5 . HB22 H -7.027 0.483 -3.099 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 12 . 2651 . 1 1 5 . HB23 H -8.473 -0.522 -2.885 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 12 . 2652 . 1 1 5 . HG11 H -7.689 -1.892 -4.609 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 12 . 2653 . 1 1 5 . HG12 H -6.705 -3.352 -4.793 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 12 . 2654 . 1 1 5 . HG13 H -8.010 -3.318 -3.581 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 12 . 2655 . 1 1 5 . N N -7.540 -2.117 -0.913 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 12 . 2656 . 1 1 5 . O O -4.298 -0.795 -1.419 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 12 . 2657 . 1 1 6 ILE C C -3.802 -0.510 1.735 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 12 . 2658 . 1 1 6 ILE CA C -4.642 0.608 1.006 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 12 . 2659 . 1 1 6 ILE CB C -5.237 1.709 1.968 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 12 . 2660 . 1 1 6 ILE CD1 C -5.152 3.774 0.300 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 12 . 2661 . 1 1 6 ILE CG1 C -5.974 2.890 1.257 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 12 . 2662 . 1 1 6 ILE CG2 C -4.226 2.306 2.984 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 12 . 2663 . 1 1 6 ILE H H -6.704 0.164 0.334 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 12 . 2664 . 1 1 6 ILE HA H -3.913 1.134 0.358 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 12 . 2665 . 1 1 6 ILE HB H -6.006 1.207 2.586 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 12 . 2666 . 1 1 6 ILE HD11 H -4.726 3.194 -0.540 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 12 . 2667 . 1 1 6 ILE HD12 H -5.782 4.568 -0.142 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 12 . 2668 . 1 1 6 ILE HD13 H -4.315 4.279 0.816 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 12 . 2669 . 1 1 6 ILE HG12 H -6.834 2.491 0.690 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 12 . 2670 . 1 1 6 ILE HG13 H -6.437 3.547 2.018 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 12 . 2671 . 1 1 6 ILE HG21 H -3.338 2.736 2.485 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 12 . 2672 . 1 1 6 ILE HG22 H -4.676 3.108 3.600 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 12 . 2673 . 1 1 6 ILE HG23 H -3.861 1.543 3.695 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 12 . 2674 . 1 1 6 ILE N N -5.710 0.078 0.099 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 12 . 2675 . 1 1 6 ILE O O -2.645 -0.245 2.068 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 12 . 2676 . 1 1 7 THR C C -2.561 -3.467 1.305 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 12 . 2677 . 1 1 7 THR CA C -3.548 -2.925 2.384 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 12 . 2678 . 1 1 7 THR CB C -4.495 -3.998 3.001 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 12 . 2679 . 1 1 7 THR CG2 C -3.837 -5.312 3.464 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 12 . 2680 . 1 1 7 THR H H -5.311 -1.826 1.633 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 12 . 2681 . 1 1 7 THR HA H -2.897 -2.589 3.205 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 12 . 2682 . 1 1 7 THR HB H -5.267 -4.264 2.255 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 12 . 2683 . 1 1 7 THR HG1 H -5.572 -2.642 3.844 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 12 . 2684 . 1 1 7 THR HG21 H -4.575 -5.970 3.960 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 12 . 2685 . 1 1 7 THR HG22 H -3.422 -5.880 2.612 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 12 . 2686 . 1 1 7 THR HG23 H -3.014 -5.138 4.184 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 12 . 2687 . 1 1 7 THR N N -4.335 -1.736 1.942 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 12 . 2688 . 1 1 7 THR O O -1.394 -3.647 1.648 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 12 . 2689 . 1 1 7 THR OG1 O -5.148 -3.450 4.143 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 12 . 2690 . 1 1 8 ABA C C -0.882 -2.918 -1.314 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 12 . 2691 . 1 1 8 ABA CA C -2.027 -3.996 -1.105 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 12 . 2692 . 1 1 8 ABA N N -2.972 -3.698 0.037 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 12 . 2693 . 1 1 8 ABA O O 0.278 -3.247 -1.586 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 12 . 2694 . 1 1 9 LEU C C 0.533 -0.191 0.066 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 12 . 2695 . 1 1 9 LEU CA C -0.288 -0.481 -1.237 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 12 . 2696 . 1 1 9 LEU CB C -1.099 0.751 -1.736 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 12 . 2697 . 1 1 9 LEU CD1 C -2.729 1.594 -3.553 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 12 . 2698 . 1 1 9 LEU CD2 C -0.310 1.160 -4.147 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 12 . 2699 . 1 1 9 LEU CG C -1.488 0.733 -3.248 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 12 . 2700 . 1 1 9 LEU H H -2.212 -1.489 -0.891 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 12 . 2701 . 1 1 9 LEU HA H 0.470 -0.685 -2.014 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 12 . 2702 . 1 1 9 LEU HB2 H -2.002 0.859 -1.107 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 12 . 2703 . 1 1 9 LEU HB3 H -0.524 1.672 -1.534 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 12 . 2704 . 1 1 9 LEU HD11 H -2.588 2.652 -3.264 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 12 . 2705 . 1 1 9 LEU HD12 H -2.982 1.577 -4.630 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 12 . 2706 . 1 1 9 LEU HD13 H -3.626 1.227 -3.021 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 12 . 2707 . 1 1 9 LEU HD21 H 0.582 0.529 -3.990 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 12 . 2708 . 1 1 9 LEU HD22 H -0.561 1.086 -5.223 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 12 . 2709 . 1 1 9 LEU HD23 H -0.005 2.204 -3.951 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 12 . 2710 . 1 1 9 LEU HG H -1.765 -0.297 -3.535 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 12 . 2711 . 1 1 9 LEU N N -1.234 -1.626 -1.171 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 12 . 2712 . 1 1 9 LEU O O 1.518 0.546 -0.035 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 12 . 2713 . 1 1 10 ABA C C 2.442 -1.217 2.382 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 12 . 2714 . 1 1 10 ABA CA C 0.962 -0.653 2.533 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 12 . 2715 . 1 1 10 ABA N N 0.177 -0.753 1.255 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 12 . 2716 . 1 1 10 ABA O O 3.368 -0.446 2.655 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 12 . 2717 . 1 1 11 HYP C C 4.755 -2.128 0.210 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 12 . 2718 . 1 1 11 HYP CA C 4.145 -2.841 1.465 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 12 . 2719 . 1 1 11 HYP CB C 4.043 -4.369 1.284 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 12 . 2720 . 1 1 11 HYP CD C 1.817 -3.577 1.729 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 12 . 2721 . 1 1 11 HYP CG C 2.581 -4.639 0.936 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 12 . 2722 . 1 1 11 HYP HA H 4.838 -2.656 2.306 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 12 . 2723 . 1 1 11 HYP HB2 H 4.732 -4.776 0.523 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 12 . 2724 . 1 1 11 HYP HB3 H 4.302 -4.878 2.231 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 12 . 2725 . 1 1 11 HYP HD1 H 1.290 -5.868 1.663 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 12 . 2726 . 1 1 11 HYP HD22 H 0.917 -3.281 1.174 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 12 . 2727 . 1 1 11 HYP HD23 H 1.516 -3.967 2.721 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 12 . 2728 . 1 1 11 HYP HG H 2.413 -4.496 -0.151 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 12 . 2729 . 1 1 11 HYP N N 2.767 -2.464 1.896 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 12 . 2730 . 1 1 11 HYP O O 5.956 -2.301 -0.021 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 12 . 2731 . 1 1 11 HYP OD1 O 2.185 -5.948 1.325 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 12 . 2732 . 1 1 12 GLN C C 4.813 1.096 -1.076 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 12 . 2733 . 1 1 12 GLN CA C 4.559 -0.370 -1.558 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 12 . 2734 . 1 1 12 GLN CB C 3.663 -0.376 -2.829 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 12 . 2735 . 1 1 12 GLN CD C 2.697 -1.679 -4.825 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 12 . 2736 . 1 1 12 GLN CG C 3.376 -1.760 -3.444 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 12 . 2737 . 1 1 12 GLN H H 3.046 -1.122 -0.204 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 12 . 2738 . 1 1 12 GLN HA H 5.560 -0.734 -1.839 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 12 . 2739 . 1 1 12 GLN HB2 H 2.701 0.128 -2.619 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 12 . 2740 . 1 1 12 GLN HB3 H 4.153 0.254 -3.590 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 12 . 2741 . 1 1 12 GLN HE21 H 1.107 -2.700 -4.152 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 12 . 2742 . 1 1 12 GLN HE22 H 1.103 -2.165 -5.915 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 12 . 2743 . 1 1 12 GLN HG2 H 4.325 -2.325 -3.528 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 12 . 2744 . 1 1 12 GLN HG3 H 2.758 -2.325 -2.712 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 12 . 2745 . 1 1 12 GLN N N 3.997 -1.293 -0.535 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 12 . 2746 . 1 1 12 GLN NE2 N 1.508 -2.234 -4.972 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 12 . 2747 . 1 1 12 GLN O O 5.066 1.947 -1.930 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 12 . 2748 . 1 1 12 GLN OE1 O 3.238 -1.119 -5.775 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 12 . 2749 . 1 1 13 ABA C C 7.108 1.922 1.136 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 12 . 2750 . 1 1 13 ABA CA C 5.611 2.456 0.920 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 12 . 2751 . 1 1 13 ABA N N 4.814 1.378 0.250 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 12 . 2752 . 1 1 13 ABA O O 8.034 2.493 0.536 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 12 . 2753 . 1 1 14 HYP C C 9.554 -0.268 0.808 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 12 . 2754 . 1 1 14 HYP CA C 8.836 0.326 2.056 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 12 . 2755 . 1 1 14 HYP CB C 8.755 -0.702 3.203 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 12 . 2756 . 1 1 14 HYP CD C 6.486 -0.015 2.626 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 12 . 2757 . 1 1 14 HYP CG C 7.282 -1.064 3.400 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 12 . 2758 . 1 1 14 HYP HA H 9.456 1.167 2.420 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 12 . 2759 . 1 1 14 HYP HB2 H 9.343 -1.615 2.992 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 12 . 2760 . 1 1 14 HYP HB3 H 9.179 -0.269 4.130 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 12 . 2761 . 1 1 14 HYP HD1 H 7.136 -0.156 5.085 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 12 . 2762 . 1 1 14 HYP HD22 H 5.803 -0.500 1.922 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 12 . 2763 . 1 1 14 HYP HD23 H 5.871 0.576 3.304 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 12 . 2764 . 1 1 14 HYP HG H 7.077 -2.071 2.992 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 12 . 2765 . 1 1 14 HYP N N 7.446 0.825 1.898 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 12 . 2766 . 1 1 14 HYP O O 10.763 -0.044 0.697 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 12 . 2767 . 1 1 14 HYP OD1 O 6.939 -1.045 4.781 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 12 . 2768 . 1 1 15 ABA C C 10.148 -0.525 -2.282 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 12 . 2769 . 1 1 15 ABA CA C 9.501 -1.619 -1.326 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 12 . 2770 . 1 1 15 ABA N N 8.875 -1.030 -0.095 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 12 . 2771 . 1 1 15 ABA O O 11.317 -0.703 -2.651 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 12 . 2772 . 1 1 16 PRO C C 11.188 2.596 -2.247 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 12 . 2773 . 1 1 16 PRO CA C 10.270 1.801 -3.217 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 12 . 2774 . 1 1 16 PRO CB C 9.170 2.669 -3.852 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 12 . 2775 . 1 1 16 PRO CD C 8.102 0.950 -2.458 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 12 . 2776 . 1 1 16 PRO CG C 7.896 2.339 -3.078 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 12 . 2777 . 1 1 16 PRO HA H 10.935 1.439 -4.004 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 12 . 2778 . 1 1 16 PRO HB2 H 9.395 3.752 -3.826 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 12 . 2779 . 1 1 16 PRO HB3 H 9.044 2.409 -4.919 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 12 . 2780 . 1 1 16 PRO HD2 H 7.843 0.983 -1.390 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 12 . 2781 . 1 1 16 PRO HD3 H 7.448 0.183 -2.893 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 12 . 2782 . 1 1 16 PRO HG2 H 7.749 3.086 -2.278 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 12 . 2783 . 1 1 16 PRO HG3 H 7.003 2.389 -3.727 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 12 . 2784 . 1 1 16 PRO N N 9.526 0.639 -2.667 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 12 . 2785 . 1 1 16 PRO O O 12.150 3.203 -2.729 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 12 . 2786 . 1 1 17 PHL C C 12.080 2.787 1.238 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 12 . 2787 . 1 1 17 PHL CA C 11.566 3.561 0.007 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 12 . 2788 . 1 1 17 PHL CB C 10.596 4.706 0.394 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 12 . 2789 . 1 1 17 PHL CD1 C 8.721 5.661 -1.045 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 12 . 2790 . 1 1 17 PHL CD2 C 10.985 6.316 -1.565 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 12 . 2791 . 1 1 17 PHL CE1 C 8.257 6.415 -2.118 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 12 . 2792 . 1 1 17 PHL CE2 C 10.520 7.068 -2.640 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 12 . 2793 . 1 1 17 PHL CG C 10.089 5.603 -0.758 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 12 . 2794 . 1 1 17 PHL CZ C 9.155 7.121 -2.913 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 12 . 2795 . 1 1 17 PHL H2 H 10.007 2.141 -0.697 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 12 . 2796 . 1 1 17 PHL HA H 12.458 4.021 -0.462 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 12 . 2797 . 1 1 17 PHL HB2 H 9.742 4.249 0.932 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 12 . 2798 . 1 1 17 PHL HB3 H 11.092 5.357 1.139 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 12 . 2799 . 1 1 17 PHL HC1 H 12.633 1.879 0.932 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 12 . 2800 . 1 1 17 PHL HC2 H 11.242 2.445 1.872 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 12 . 2801 . 1 1 17 PHL HD1 H 8.017 5.102 -0.449 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 12 . 2802 . 1 1 17 PHL HD2 H 12.049 6.254 -1.383 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 12 . 2803 . 1 1 17 PHL HE1 H 7.199 6.444 -2.338 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 12 . 2804 . 1 1 17 PHL HE2 H 11.217 7.602 -3.268 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 12 . 2805 . 1 1 17 PHL HO H 13.669 3.853 1.434 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 12 . 2806 . 1 1 17 PHL HZ H 8.793 7.711 -3.741 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 12 . 2807 . 1 1 17 PHL N N 10.885 2.633 -0.934 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 12 . 2808 . 1 1 17 PHL O O 12.951 3.597 2.018 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
. 13 . 2809 . 1 1 1 ACE C C -11.554 -1.625 -1.000 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 13 . 2810 . 1 1 1 ACE CH3 C -12.322 -2.932 -1.171 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 13 . 2811 . 1 1 1 ACE H1 H -13.390 -2.756 -1.396 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 13 . 2812 . 1 1 1 ACE H2 H -11.902 -3.531 -1.999 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 13 . 2813 . 1 1 1 ACE H3 H -12.266 -3.551 -0.255 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 13 . 2814 . 1 1 1 ACE O O -10.535 -1.408 -1.663 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 13 . 2815 . 1 1 2 TRP C C -10.142 0.267 1.215 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 13 . 2816 . 1 1 2 TRP CA C -11.362 0.505 0.274 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 13 . 2817 . 1 1 2 TRP CB C -12.334 1.555 0.887 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 13 . 2818 . 1 1 2 TRP CD1 C -14.842 1.544 0.136 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 13 . 2819 . 1 1 2 TRP CD2 C -13.554 2.987 -0.970 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 13 . 2820 . 1 1 2 TRP CE2 C -14.895 3.093 -1.427 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 13 . 2821 . 1 1 2 TRP CE3 C -12.547 3.832 -1.506 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 13 . 2822 . 1 1 2 TRP CG C -13.514 2.011 0.014 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 13 . 2823 . 1 1 2 TRP CH2 C -14.232 4.869 -2.928 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 13 . 2824 . 1 1 2 TRP CZ2 C -15.235 4.049 -2.413 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 13 . 2825 . 1 1 2 TRP CZ3 C -12.907 4.761 -2.484 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 13 . 2826 . 1 1 2 TRP H H -12.908 -1.082 0.378 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 13 . 2827 . 1 1 2 TRP HA H -10.957 0.945 -0.659 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 13 . 2828 . 1 1 2 TRP HB2 H -12.725 1.178 1.852 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 13 . 2829 . 1 1 2 TRP HB3 H -11.755 2.457 1.165 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 13 . 2830 . 1 1 2 TRP HD1 H -15.165 0.795 0.844 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 13 . 2831 . 1 1 2 TRP HE1 H -16.725 2.080 -0.850 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 13 . 2832 . 1 1 2 TRP HE3 H -11.521 3.765 -1.169 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 13 . 2833 . 1 1 2 TRP HH2 H -14.483 5.607 -3.677 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 13 . 2834 . 1 1 2 TRP HZ2 H -16.255 4.151 -2.756 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 13 . 2835 . 1 1 2 TRP HZ3 H -12.155 5.413 -2.905 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 13 . 2836 . 1 1 2 TRP N N -12.046 -0.774 -0.087 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 13 . 2837 . 1 1 2 TRP NE1 N -15.711 2.198 -0.755 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 13 . 2838 . 1 1 2 TRP O O -9.028 0.673 0.870 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 13 . 2839 . 1 1 3 ILE C C -8.383 -2.117 2.525 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 13 . 2840 . 1 1 3 ILE CA C -9.193 -0.950 3.175 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 13 . 2841 . 1 1 3 ILE CB C -9.558 -1.272 4.666 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 13 . 2842 . 1 1 3 ILE CD1 C -10.681 -3.058 6.213 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 13 . 2843 . 1 1 3 ILE CG1 C -10.660 -2.363 4.843 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 13 . 2844 . 1 1 3 ILE CG2 C -9.874 0.009 5.475 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 13 . 2845 . 1 1 3 ILE H H -11.293 -0.751 2.518 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 13 . 2846 . 1 1 3 ILE HA H -8.460 -0.124 3.204 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 13 . 2847 . 1 1 3 ILE HB H -8.633 -1.673 5.128 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 13 . 2848 . 1 1 3 ILE HD11 H -10.835 -2.348 7.044 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 13 . 2849 . 1 1 3 ILE HD12 H -11.495 -3.803 6.267 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 13 . 2850 . 1 1 3 ILE HD13 H -9.737 -3.600 6.408 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 13 . 2851 . 1 1 3 ILE HG12 H -11.658 -1.940 4.628 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 13 . 2852 . 1 1 3 ILE HG13 H -10.523 -3.157 4.088 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 13 . 2853 . 1 1 3 ILE HG21 H -10.803 0.502 5.133 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 13 . 2854 . 1 1 3 ILE HG22 H -9.993 -0.202 6.554 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 13 . 2855 . 1 1 3 ILE HG23 H -9.058 0.751 5.391 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 13 . 2856 . 1 1 3 ILE N N -10.333 -0.424 2.365 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 13 . 2857 . 1 1 3 ILE O O -7.199 -2.242 2.840 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 13 . 2858 . 1 1 4 GLN C C -7.129 -3.141 -0.154 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 13 . 2859 . 1 1 4 GLN CA C -8.168 -3.856 0.757 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 13 . 2860 . 1 1 4 GLN CB C -9.131 -4.748 -0.072 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 13 . 2861 . 1 1 4 GLN CD C -8.312 -7.187 0.283 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 13 . 2862 . 1 1 4 GLN CG C -8.521 -6.022 -0.705 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 13 . 2863 . 1 1 4 GLN H H -9.947 -2.728 1.420 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 13 . 2864 . 1 1 4 GLN HA H -7.601 -4.510 1.447 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 13 . 2865 . 1 1 4 GLN HB2 H -9.999 -5.052 0.545 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 13 . 2866 . 1 1 4 GLN HB3 H -9.578 -4.138 -0.881 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 13 . 2867 . 1 1 4 GLN HE21 H -9.653 -8.319 -0.698 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 13 . 2868 . 1 1 4 GLN HE22 H -8.844 -9.056 0.773 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 13 . 2869 . 1 1 4 GLN HG2 H -9.179 -6.339 -1.538 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 13 . 2870 . 1 1 4 GLN HG3 H -7.557 -5.789 -1.193 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 13 . 2871 . 1 1 4 GLN N N -8.958 -2.928 1.610 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 13 . 2872 . 1 1 4 GLN NE2 N -9.017 -8.295 0.107 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 13 . 2873 . 1 1 4 GLN O O -5.972 -3.565 -0.157 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 13 . 2874 . 1 1 4 GLN OE1 O -7.506 -7.107 1.211 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 13 . 2875 . 1 1 5 . C C -5.491 -0.517 -0.818 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 13 . 2876 . 1 1 5 . CA C -6.615 -1.203 -1.696 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 13 . 2877 . 1 1 5 . CB1 C -6.020 -2.067 -2.859 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 13 . 2878 . 1 1 5 . CB2 C -7.495 -0.066 -2.285 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 13 . 2879 . 1 1 5 . CG1 C -6.927 -2.602 -3.981 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 13 . 2880 . 1 1 5 . H2 H -8.460 -1.717 -0.711 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 13 . 2881 . 1 1 5 . HB11 H -5.233 -1.467 -3.302 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 13 . 2882 . 1 1 5 . HB12 H -5.478 -2.934 -2.449 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 13 . 2883 . 1 1 5 . HB21 H -7.969 0.554 -1.501 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 13 . 2884 . 1 1 5 . HB22 H -6.905 0.623 -2.919 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 13 . 2885 . 1 1 5 . HB23 H -8.324 -0.444 -2.915 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 13 . 2886 . 1 1 5 . HG11 H -7.387 -1.780 -4.558 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 13 . 2887 . 1 1 5 . HG12 H -6.351 -3.216 -4.696 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 13 . 2888 . 1 1 5 . HG13 H -7.737 -3.238 -3.583 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 13 . 2889 . 1 1 5 . N N -7.521 -2.065 -0.889 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 13 . 2890 . 1 1 5 . O O -4.307 -0.552 -1.177 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 13 . 2891 . 1 1 6 ILE C C -3.880 -0.505 1.947 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 13 . 2892 . 1 1 6 ILE CA C -4.825 0.586 1.329 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 13 . 2893 . 1 1 6 ILE CB C -5.488 1.576 2.365 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 13 . 2894 . 1 1 6 ILE CD1 C -5.073 3.942 1.385 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 13 . 2895 . 1 1 6 ILE CG1 C -4.702 2.919 2.471 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 13 . 2896 . 1 1 6 ILE CG2 C -5.751 1.005 3.784 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 13 . 2897 . 1 1 6 ILE H H -6.834 -0.008 0.602 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 13 . 2898 . 1 1 6 ILE HA H -4.142 1.194 0.703 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 13 . 2899 . 1 1 6 ILE HB H -6.497 1.853 2.000 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 13 . 2900 . 1 1 6 ILE HD11 H -6.129 4.262 1.466 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 13 . 2901 . 1 1 6 ILE HD12 H -4.458 4.855 1.470 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 13 . 2902 . 1 1 6 ILE HD13 H -4.929 3.541 0.365 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 13 . 2903 . 1 1 6 ILE HG12 H -4.867 3.405 3.451 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 13 . 2904 . 1 1 6 ILE HG13 H -3.613 2.726 2.432 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 13 . 2905 . 1 1 6 ILE HG21 H -4.814 0.828 4.344 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 13 . 2906 . 1 1 6 ILE HG22 H -6.370 1.686 4.397 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 13 . 2907 . 1 1 6 ILE HG23 H -6.285 0.040 3.751 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 13 . 2908 . 1 1 6 ILE N N -5.838 0.075 0.353 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 13 . 2909 . 1 1 6 ILE O O -2.757 -0.171 2.324 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 13 . 2910 . 1 1 7 THR C C -2.531 -3.454 1.462 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 13 . 2911 . 1 1 7 THR CA C -3.526 -2.922 2.523 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 13 . 2912 . 1 1 7 THR CB C -4.433 -4.014 3.167 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 13 . 2913 . 1 1 7 THR CG2 C -3.703 -5.269 3.679 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 13 . 2914 . 1 1 7 THR H H -5.286 -1.899 1.682 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 13 . 2915 . 1 1 7 THR HA H -2.886 -2.532 3.324 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 13 . 2916 . 1 1 7 THR HB H -5.194 -4.346 2.437 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 13 . 2917 . 1 1 7 THR HG1 H -5.551 -2.675 3.975 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 13 . 2918 . 1 1 7 THR HG21 H -4.387 -5.939 4.231 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 13 . 2919 . 1 1 7 THR HG22 H -3.274 -5.863 2.850 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 13 . 2920 . 1 1 7 THR HG23 H -2.874 -5.005 4.362 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 13 . 2921 . 1 1 7 THR N N -4.337 -1.772 2.049 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 13 . 2922 . 1 1 7 THR O O -1.364 -3.598 1.816 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 13 . 2923 . 1 1 7 THR OG1 O -5.111 -3.466 4.294 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 13 . 2924 . 1 1 8 ABA C C -0.873 -2.949 -1.177 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 13 . 2925 . 1 1 8 ABA CA C -1.975 -4.055 -0.921 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 13 . 2926 . 1 1 8 ABA N N -2.936 -3.731 0.198 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 13 . 2927 . 1 1 8 ABA O O 0.293 -3.260 -1.454 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 13 . 2928 . 1 1 9 LEU C C 0.479 -0.119 0.096 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 13 . 2929 . 1 1 9 LEU CA C -0.306 -0.511 -1.196 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 13 . 2930 . 1 1 9 LEU CB C -1.106 0.676 -1.802 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 13 . 2931 . 1 1 9 LEU CD1 C -2.674 1.296 -3.751 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 13 . 2932 . 1 1 9 LEU CD2 C -0.179 1.002 -4.176 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 13 . 2933 . 1 1 9 LEU CG C -1.392 0.554 -3.329 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 13 . 2934 . 1 1 9 LEU H H -2.233 -1.503 -0.809 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 13 . 2935 . 1 1 9 LEU HA H 0.481 -0.759 -1.930 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 13 . 2936 . 1 1 9 LEU HB2 H -2.050 0.803 -1.233 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 13 . 2937 . 1 1 9 LEU HB3 H -0.552 1.613 -1.618 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 13 . 2938 . 1 1 9 LEU HD11 H -2.629 2.378 -3.537 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 13 . 2939 . 1 1 9 LEU HD12 H -2.872 1.175 -4.832 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 13 . 2940 . 1 1 9 LEU HD13 H -3.565 0.891 -3.233 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 13 . 2941 . 1 1 9 LEU HD21 H 0.734 0.436 -3.911 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 13 . 2942 . 1 1 9 LEU HD22 H -0.342 0.845 -5.258 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 13 . 2943 . 1 1 9 LEU HD23 H 0.052 2.074 -4.028 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 13 . 2944 . 1 1 9 LEU HG H -1.582 -0.511 -3.563 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 13 . 2945 . 1 1 9 LEU N N -1.248 -1.658 -1.074 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 13 . 2946 . 1 1 9 LEU O O 1.438 0.650 -0.032 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 13 . 2947 . 1 1 10 ABA C C 2.406 -1.038 2.416 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 13 . 2948 . 1 1 10 ABA CA C 0.926 -0.478 2.568 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 13 . 2949 . 1 1 10 ABA N N 0.135 -0.643 1.304 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 13 . 2950 . 1 1 10 ABA O O 3.329 -0.250 2.632 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 13 . 2951 . 1 1 11 HYP C C 4.724 -2.065 0.310 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 13 . 2952 . 1 1 11 HYP CA C 4.104 -2.721 1.592 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 13 . 2953 . 1 1 11 HYP CB C 3.988 -4.253 1.447 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 13 . 2954 . 1 1 11 HYP CD C 1.779 -3.419 1.827 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 13 . 2955 . 1 1 11 HYP CG C 2.536 -4.488 1.045 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 13 . 2956 . 1 1 11 HYP HA H 4.785 -2.511 2.436 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 13 . 2957 . 1 1 11 HYP HB2 H 4.700 -4.682 0.722 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 13 . 2958 . 1 1 11 HYP HB3 H 4.192 -4.749 2.414 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 13 . 2959 . 1 1 11 HYP HD1 H 1.774 -5.701 2.321 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 13 . 2960 . 1 1 11 HYP HD22 H 0.877 -3.122 1.273 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 13 . 2961 . 1 1 11 HYP HD23 H 1.480 -3.803 2.823 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 13 . 2962 . 1 1 11 HYP HG H 2.423 -4.336 -0.047 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 13 . 2963 . 1 1 11 HYP N N 2.729 -2.312 1.995 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 13 . 2964 . 1 1 11 HYP O O 5.923 -2.264 0.092 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 13 . 2965 . 1 1 11 HYP OD1 O 2.072 -5.783 1.410 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 13 . 2966 . 1 1 12 GLN C C 4.822 1.087 -1.150 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 13 . 2967 . 1 1 12 GLN CA C 4.546 -0.398 -1.549 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 13 . 2968 . 1 1 12 GLN CB C 3.650 -0.462 -2.820 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 13 . 2969 . 1 1 12 GLN CD C 2.658 -1.891 -4.734 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 13 . 2970 . 1 1 12 GLN CG C 3.365 -1.876 -3.366 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 13 . 2971 . 1 1 12 GLN H H 3.021 -1.065 -0.158 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 13 . 2972 . 1 1 12 GLN HA H 5.545 -0.784 -1.808 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 13 . 2973 . 1 1 12 GLN HB2 H 2.685 0.041 -2.626 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 13 . 2974 . 1 1 12 GLN HB3 H 4.128 0.140 -3.617 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 13 . 2975 . 1 1 12 GLN HE21 H 1.140 -2.937 -3.966 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 13 . 2976 . 1 1 12 GLN HE22 H 1.061 -2.491 -5.754 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 13 . 2977 . 1 1 12 GLN HG2 H 4.317 -2.439 -3.438 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 13 . 2978 . 1 1 12 GLN HG3 H 2.766 -2.404 -2.593 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 13 . 2979 . 1 1 12 GLN N N 3.973 -1.263 -0.479 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 13 . 2980 . 1 1 12 GLN NE2 N 1.482 -2.480 -4.821 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 13 . 2981 . 1 1 12 GLN O O 5.116 1.884 -2.042 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 13 . 2982 . 1 1 12 GLN OE1 O 3.164 -1.379 -5.737 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 13 . 2983 . 1 1 13 ABA C C 7.101 1.995 1.010 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 13 . 2984 . 1 1 13 ABA CA C 5.607 2.541 0.780 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 13 . 2985 . 1 1 13 ABA N N 4.804 1.443 0.156 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 13 . 2986 . 1 1 13 ABA O O 8.031 2.532 0.387 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 13 . 2987 . 1 1 14 HYP C C 9.520 -0.230 0.765 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 13 . 2988 . 1 1 14 HYP CA C 8.805 0.409 1.990 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 13 . 2989 . 1 1 14 HYP CB C 8.712 -0.567 3.178 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 13 . 2990 . 1 1 14 HYP CD C 6.452 0.153 2.601 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 13 . 2991 . 1 1 14 HYP CG C 7.231 -0.882 3.408 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 13 . 2992 . 1 1 14 HYP HA H 9.422 1.262 2.327 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 13 . 2993 . 1 1 14 HYP HB2 H 9.277 -1.503 3.006 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 13 . 2994 . 1 1 14 HYP HB3 H 9.158 -0.106 4.081 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 13 . 2995 . 1 1 14 HYP HD1 H 7.167 0.081 5.064 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 13 . 2996 . 1 1 14 HYP HD22 H 5.729 -0.344 1.946 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 13 . 2997 . 1 1 14 HYP HD23 H 5.882 0.810 3.259 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 13 . 2998 . 1 1 14 HYP HG H 6.990 -1.898 3.042 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 13 . 2999 . 1 1 14 HYP N N 7.422 0.913 1.804 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 13 . 3000 . 1 1 14 HYP O O 10.725 -0.008 0.633 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 13 . 3001 . 1 1 14 HYP OD1 O 6.908 -0.803 4.791 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 13 . 3002 . 1 1 15 ABA C C 10.117 -0.644 -2.315 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 13 . 3003 . 1 1 15 ABA CA C 9.456 -1.678 -1.309 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 13 . 3004 . 1 1 15 ABA N N 8.841 -1.031 -0.102 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 13 . 3005 . 1 1 15 ABA O O 11.282 -0.860 -2.676 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 13 . 3006 . 1 1 16 PRO C C 11.225 2.438 -2.377 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 13 . 3007 . 1 1 16 PRO CA C 10.287 1.640 -3.327 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 13 . 3008 . 1 1 16 PRO CB C 9.202 2.505 -3.995 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 13 . 3009 . 1 1 16 PRO CD C 8.097 0.854 -2.548 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 13 . 3010 . 1 1 16 PRO CG C 7.911 2.213 -3.231 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 13 . 3011 . 1 1 16 PRO HA H 10.942 1.242 -4.108 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 13 . 3012 . 1 1 16 PRO HB2 H 9.437 3.586 -3.993 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 13 . 3013 . 1 1 16 PRO HB3 H 9.081 2.223 -5.058 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 13 . 3014 . 1 1 16 PRO HD2 H 7.840 0.948 -1.485 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 13 . 3015 . 1 1 16 PRO HD3 H 7.425 0.080 -2.944 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 13 . 3016 . 1 1 16 PRO HG2 H 7.754 2.992 -2.462 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 13 . 3017 . 1 1 16 PRO HG3 H 7.022 2.239 -3.890 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 13 . 3018 . 1 1 16 PRO N N 9.516 0.512 -2.746 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 13 . 3019 . 1 1 16 PRO O O 12.245 2.948 -2.851 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 13 . 3020 . 1 1 17 PHL C C 12.013 2.839 1.113 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 13 . 3021 . 1 1 17 PHL CA C 11.544 3.554 -0.177 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 13 . 3022 . 1 1 17 PHL CB C 10.573 4.730 0.112 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 13 . 3023 . 1 1 17 PHL CD1 C 8.706 5.665 -1.362 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 13 . 3024 . 1 1 17 PHL CD2 C 10.987 6.146 -1.987 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 13 . 3025 . 1 1 17 PHL CE1 C 8.255 6.336 -2.496 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 13 . 3026 . 1 1 17 PHL CE2 C 10.536 6.812 -3.123 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 13 . 3027 . 1 1 17 PHL CG C 10.079 5.556 -1.099 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 13 . 3028 . 1 1 17 PHL CZ C 9.168 6.907 -3.375 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 13 . 3029 . 1 1 17 PHL H2 H 9.988 2.108 -0.848 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 13 . 3030 . 1 1 17 PHL HA H 12.455 3.977 -0.642 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 13 . 3031 . 1 1 17 PHL HB2 H 9.710 4.307 0.659 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 13 . 3032 . 1 1 17 PHL HB3 H 11.055 5.422 0.830 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 13 . 3033 . 1 1 17 PHL HC1 H 12.612 1.935 0.879 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 13 . 3034 . 1 1 17 PHL HC2 H 11.154 2.484 1.709 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 13 . 3035 . 1 1 17 PHL HD1 H 7.991 5.207 -0.702 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 13 . 3036 . 1 1 17 PHL HD2 H 12.050 6.047 -1.820 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 13 . 3037 . 1 1 17 PHL HE1 H 7.195 6.400 -2.700 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 13 . 3038 . 1 1 17 PHL HE2 H 11.244 7.239 -3.817 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 13 . 3039 . 1 1 17 PHL HO H 13.639 3.235 2.054 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 13 . 3040 . 1 1 17 PHL HZ H 8.820 7.412 -4.265 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 13 . 3041 . 1 1 17 PHL N N 10.878 2.576 -1.082 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 13 . 3042 . 1 1 17 PHL O O 12.813 3.705 1.912 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
. 14 . 3043 . 1 1 1 ACE C C -11.512 -1.545 -1.278 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 14 . 3044 . 1 1 1 ACE CH3 C -12.434 -2.745 -1.491 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 14 . 3045 . 1 1 1 ACE H1 H -13.462 -2.432 -1.749 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 14 . 3046 . 1 1 1 ACE H2 H -12.068 -3.384 -2.315 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 14 . 3047 . 1 1 1 ACE H3 H -12.484 -3.377 -0.584 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 14 . 3048 . 1 1 1 ACE O O -10.412 -1.506 -1.827 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 14 . 3049 . 1 1 2 TRP C C -10.082 0.313 1.007 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 14 . 3050 . 1 1 2 TRP CA C -11.173 0.612 -0.068 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 14 . 3051 . 1 1 2 TRP CB C -12.121 1.772 0.371 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 14 . 3052 . 1 1 2 TRP CD1 C -12.436 3.419 -1.627 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 14 . 3053 . 1 1 2 TRP CD2 C -11.237 4.241 0.061 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 14 . 3054 . 1 1 2 TRP CE2 C -11.411 5.238 -0.934 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 14 . 3055 . 1 1 2 TRP CE3 C -10.539 4.539 1.261 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 14 . 3056 . 1 1 2 TRP CG C -11.892 3.097 -0.365 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 14 . 3057 . 1 1 2 TRP CH2 C -10.227 6.820 0.460 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 14 . 3058 . 1 1 2 TRP CZ2 C -10.908 6.545 -0.727 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 14 . 3059 . 1 1 2 TRP CZ3 C -10.042 5.833 1.436 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 14 . 3060 . 1 1 2 TRP H H -12.901 -0.773 -0.060 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 14 . 3061 . 1 1 2 TRP HA H -10.630 0.938 -0.980 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 14 . 3062 . 1 1 2 TRP HB2 H -13.186 1.499 0.228 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 14 . 3063 . 1 1 2 TRP HB3 H -12.064 1.945 1.463 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 14 . 3064 . 1 1 2 TRP HD1 H -13.037 2.745 -2.221 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 14 . 3065 . 1 1 2 TRP HE1 H -12.467 5.246 -2.834 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 14 . 3066 . 1 1 2 TRP HE3 H -10.401 3.794 2.030 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 14 . 3067 . 1 1 2 TRP HH2 H -9.844 7.816 0.633 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 14 . 3068 . 1 1 2 TRP HZ2 H -11.059 7.323 -1.462 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 14 . 3069 . 1 1 2 TRP HZ3 H -9.517 6.083 2.346 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 14 . 3070 . 1 1 2 TRP N N -11.972 -0.591 -0.455 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 14 . 3071 . 1 1 2 TRP NE1 N -12.146 4.743 -2.000 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 14 . 3072 . 1 1 2 TRP O O -8.926 0.708 0.832 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 14 . 3073 . 1 1 3 ILE C C -8.525 -2.103 2.440 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 14 . 3074 . 1 1 3 ILE CA C -9.445 -0.988 3.045 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 14 . 3075 . 1 1 3 ILE CB C -10.115 -1.354 4.420 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 14 . 3076 . 1 1 3 ILE CD1 C -9.569 -1.818 6.966 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 14 . 3077 . 1 1 3 ILE CG1 C -9.055 -1.658 5.526 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 14 . 3078 . 1 1 3 ILE CG2 C -11.191 -2.470 4.308 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 14 . 3079 . 1 1 3 ILE H H -11.425 -0.692 2.108 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 14 . 3080 . 1 1 3 ILE HA H -8.744 -0.155 3.248 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 14 . 3081 . 1 1 3 ILE HB H -10.654 -0.448 4.764 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 14 . 3082 . 1 1 3 ILE HD11 H -10.196 -2.722 7.086 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 14 . 3083 . 1 1 3 ILE HD12 H -8.726 -1.922 7.674 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 14 . 3084 . 1 1 3 ILE HD13 H -10.166 -0.946 7.294 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 14 . 3085 . 1 1 3 ILE HG12 H -8.475 -2.563 5.263 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 14 . 3086 . 1 1 3 ILE HG13 H -8.313 -0.837 5.534 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 14 . 3087 . 1 1 3 ILE HG21 H -10.758 -3.442 4.007 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 14 . 3088 . 1 1 3 ILE HG22 H -11.725 -2.627 5.264 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 14 . 3089 . 1 1 3 ILE HG23 H -11.968 -2.216 3.563 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 14 . 3090 . 1 1 3 ILE N N -10.438 -0.408 2.093 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 14 . 3091 . 1 1 3 ILE O O -7.336 -2.108 2.766 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 14 . 3092 . 1 1 4 GLN C C -7.107 -3.146 -0.152 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 14 . 3093 . 1 1 4 GLN CA C -8.150 -3.889 0.732 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 14 . 3094 . 1 1 4 GLN CB C -9.013 -4.856 -0.128 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 14 . 3095 . 1 1 4 GLN CD C -8.908 -6.831 -1.813 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 14 . 3096 . 1 1 4 GLN CG C -8.251 -6.114 -0.620 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 14 . 3097 . 1 1 4 GLN H H -10.023 -2.889 1.349 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 14 . 3098 . 1 1 4 GLN HA H -7.565 -4.499 1.450 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 14 . 3099 . 1 1 4 GLN HB2 H -9.891 -5.204 0.449 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 14 . 3100 . 1 1 4 GLN HB3 H -9.441 -4.303 -0.988 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 14 . 3101 . 1 1 4 GLN HE21 H -9.210 -8.481 -0.714 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 14 . 3102 . 1 1 4 GLN HE22 H -9.722 -8.537 -2.474 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 14 . 3103 . 1 1 4 GLN HG2 H -7.227 -5.840 -0.938 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 14 . 3104 . 1 1 4 GLN HG3 H -8.101 -6.805 0.235 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 14 . 3105 . 1 1 4 GLN N N -9.023 -2.991 1.547 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 14 . 3106 . 1 1 4 GLN NE2 N -9.346 -8.067 -1.643 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 14 . 3107 . 1 1 4 GLN O O -5.950 -3.571 -0.159 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 14 . 3108 . 1 1 4 GLN OE1 O -8.991 -6.287 -2.914 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 14 . 3109 . 1 1 5 . C C -5.429 -0.576 -0.889 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 14 . 3110 . 1 1 5 . CA C -6.610 -1.228 -1.720 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 14 . 3111 . 1 1 5 . CB1 C -6.095 -2.124 -2.897 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 14 . 3112 . 1 1 5 . CB2 C -7.473 -0.068 -2.300 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 14 . 3113 . 1 1 5 . CG1 C -7.069 -2.657 -3.970 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 14 . 3114 . 1 1 5 . H2 H -8.441 -1.730 -0.669 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 14 . 3115 . 1 1 5 . HB11 H -5.313 -1.550 -3.382 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 14 . 3116 . 1 1 5 . HB12 H -5.548 -2.995 -2.500 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 14 . 3117 . 1 1 5 . HB21 H -7.966 0.529 -1.512 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 14 . 3118 . 1 1 5 . HB22 H -6.868 0.637 -2.900 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 14 . 3119 . 1 1 5 . HB23 H -8.287 -0.419 -2.960 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 14 . 3120 . 1 1 5 . HG11 H -7.505 -1.843 -4.577 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 14 . 3121 . 1 1 5 . HG12 H -6.548 -3.328 -4.676 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 14 . 3122 . 1 1 5 . HG13 H -7.903 -3.232 -3.525 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 14 . 3123 . 1 1 5 . N N -7.501 -2.063 -0.869 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 14 . 3124 . 1 1 5 . O O -4.257 -0.707 -1.260 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 14 . 3125 . 1 1 6 ILE C C -3.829 -0.535 1.895 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 14 . 3126 . 1 1 6 ILE CA C -4.684 0.600 1.208 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 14 . 3127 . 1 1 6 ILE CB C -5.322 1.646 2.205 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 14 . 3128 . 1 1 6 ILE CD1 C -5.209 3.765 0.620 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 14 . 3129 . 1 1 6 ILE CG1 C -6.052 2.854 1.530 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 14 . 3130 . 1 1 6 ILE CG2 C -4.344 2.204 3.274 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 14 . 3131 . 1 1 6 ILE H H -6.728 0.131 0.477 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 14 . 3132 . 1 1 6 ILE HA H -3.953 1.167 0.602 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 14 . 3133 . 1 1 6 ILE HB H -6.101 1.105 2.779 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 14 . 3134 . 1 1 6 ILE HD11 H -4.776 3.213 -0.234 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 14 . 3135 . 1 1 6 ILE HD12 H -5.823 4.581 0.199 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 14 . 3136 . 1 1 6 ILE HD13 H -4.373 4.238 1.167 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 14 . 3137 . 1 1 6 ILE HG12 H -6.909 2.482 0.941 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 14 . 3138 . 1 1 6 ILE HG13 H -6.520 3.483 2.309 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 14 . 3139 . 1 1 6 ILE HG21 H -3.448 2.667 2.819 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 14 . 3140 . 1 1 6 ILE HG22 H -4.818 2.972 3.913 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 14 . 3141 . 1 1 6 ILE HG23 H -3.990 1.413 3.959 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 14 . 3142 . 1 1 6 ILE N N -5.727 0.093 0.256 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 14 . 3143 . 1 1 6 ILE O O -2.676 -0.270 2.241 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 14 . 3144 . 1 1 7 THR C C -2.546 -3.488 1.445 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 14 . 3145 . 1 1 7 THR CA C -3.557 -2.961 2.505 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 14 . 3146 . 1 1 7 THR CB C -4.512 -4.040 3.093 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 14 . 3147 . 1 1 7 THR CG2 C -3.839 -5.323 3.614 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 14 . 3148 . 1 1 7 THR H H -5.317 -1.867 1.741 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 14 . 3149 . 1 1 7 THR HA H -2.930 -2.625 3.344 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 14 . 3150 . 1 1 7 THR HB H -5.239 -4.336 2.314 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 14 . 3151 . 1 1 7 THR HG1 H -5.541 -2.624 3.891 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 14 . 3152 . 1 1 7 THR HG21 H -4.581 -5.999 4.078 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 14 . 3153 . 1 1 7 THR HG22 H -3.355 -5.893 2.798 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 14 . 3154 . 1 1 7 THR HG23 H -3.062 -5.113 4.375 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 14 . 3155 . 1 1 7 THR N N -4.345 -1.774 2.056 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 14 . 3156 . 1 1 7 THR O O -1.383 -3.651 1.809 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 14 . 3157 . 1 1 7 THR OG1 O -5.235 -3.484 4.189 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 14 . 3158 . 1 1 8 ABA C C -0.855 -2.896 -1.157 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 14 . 3159 . 1 1 8 ABA CA C -1.965 -4.004 -0.957 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 14 . 3160 . 1 1 8 ABA N N -2.934 -3.724 0.169 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 14 . 3161 . 1 1 8 ABA O O 0.318 -3.189 -1.421 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 14 . 3162 . 1 1 9 LEU C C 0.524 -0.181 0.230 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 14 . 3163 . 1 1 9 LEU CA C -0.323 -0.445 -1.063 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 14 . 3164 . 1 1 9 LEU CB C -1.166 0.792 -1.494 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 14 . 3165 . 1 1 9 LEU CD1 C -2.811 1.759 -3.234 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 14 . 3166 . 1 1 9 LEU CD2 C -0.453 1.197 -3.930 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 14 . 3167 . 1 1 9 LEU CG C -1.614 0.820 -2.988 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 14 . 3168 . 1 1 9 LEU H H -2.225 -1.500 -0.742 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 14 . 3169 . 1 1 9 LEU HA H 0.415 -0.614 -1.866 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 14 . 3170 . 1 1 9 LEU HB2 H -2.047 0.869 -0.829 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 14 . 3171 . 1 1 9 LEU HB3 H -0.590 1.713 -1.289 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 14 . 3172 . 1 1 9 LEU HD11 H -2.579 2.807 -2.966 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 14 . 3173 . 1 1 9 LEU HD12 H -3.122 1.754 -4.297 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 14 . 3174 . 1 1 9 LEU HD13 H -3.701 1.459 -2.651 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 14 . 3175 . 1 1 9 LEU HD21 H 0.409 0.516 -3.822 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 14 . 3176 . 1 1 9 LEU HD22 H -0.752 1.157 -4.994 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 14 . 3177 . 1 1 9 LEU HD23 H -0.082 2.219 -3.728 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 14 . 3178 . 1 1 9 LEU HG H -1.960 -0.192 -3.273 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 14 . 3179 . 1 1 9 LEU N N -1.242 -1.612 -1.016 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 14 . 3180 . 1 1 9 LEU O O 1.507 0.557 0.122 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 14 . 3181 . 1 1 10 ABA C C 2.498 -1.250 2.467 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 14 . 3182 . 1 1 10 ABA CA C 1.020 -0.693 2.672 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 14 . 3183 . 1 1 10 ABA N N 0.200 -0.765 1.418 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 14 . 3184 . 1 1 10 ABA O O 3.430 -0.480 2.722 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 14 . 3185 . 1 1 11 HYP C C 4.746 -2.123 0.208 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 14 . 3186 . 1 1 11 HYP CA C 4.175 -2.856 1.470 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 14 . 3187 . 1 1 11 HYP CB C 4.076 -4.382 1.271 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 14 . 3188 . 1 1 11 HYP CD C 1.868 -3.611 1.827 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 14 . 3189 . 1 1 11 HYP CG C 2.601 -4.662 0.994 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 14 . 3190 . 1 1 11 HYP HA H 4.893 -2.676 2.292 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 14 . 3191 . 1 1 11 HYP HB2 H 4.729 -4.768 0.467 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 14 . 3192 . 1 1 11 HYP HB3 H 4.392 -4.903 2.193 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 14 . 3193 . 1 1 11 HYP HD1 H 1.271 -5.959 1.500 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 14 . 3194 . 1 1 11 HYP HD22 H 0.932 -3.325 1.324 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 14 . 3195 . 1 1 11 HYP HD23 H 1.626 -4.005 2.834 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 14 . 3196 . 1 1 11 HYP HG H 2.381 -4.524 -0.084 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 14 . 3197 . 1 1 11 HYP N N 2.811 -2.489 1.950 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 14 . 3198 . 1 1 11 HYP O O 5.937 -2.297 -0.066 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 14 . 3199 . 1 1 11 HYP OD1 O 2.227 -5.973 1.403 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 14 . 3200 . 1 1 12 GLN C C 4.771 1.129 -1.024 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 14 . 3201 . 1 1 12 GLN CA C 4.500 -0.330 -1.519 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 14 . 3202 . 1 1 12 GLN CB C 3.568 -0.314 -2.764 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 14 . 3203 . 1 1 12 GLN CD C 2.536 -1.583 -4.749 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 14 . 3204 . 1 1 12 GLN CG C 3.267 -1.685 -3.398 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 14 . 3205 . 1 1 12 GLN H H 3.027 -1.105 -0.135 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 14 . 3206 . 1 1 12 GLN HA H 5.493 -0.691 -1.836 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 14 . 3207 . 1 1 12 GLN HB2 H 2.612 0.182 -2.515 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 14 . 3208 . 1 1 12 GLN HB3 H 4.030 0.338 -3.527 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 14 . 3209 . 1 1 12 GLN HE21 H 0.976 -2.623 -4.037 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 14 . 3210 . 1 1 12 GLN HE22 H 0.911 -2.063 -5.789 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 14 . 3211 . 1 1 12 GLN HG2 H 4.216 -2.239 -3.535 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 14 . 3212 . 1 1 12 GLN HG3 H 2.683 -2.269 -2.657 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 14 . 3213 . 1 1 12 GLN N N 3.968 -1.270 -0.499 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 14 . 3214 . 1 1 12 GLN NE2 N 1.350 -2.149 -4.866 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 14 . 3215 . 1 1 12 GLN O O 5.004 1.993 -1.870 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 14 . 3216 . 1 1 12 GLN OE1 O 3.029 -0.987 -5.707 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 14 . 3217 . 1 1 13 ABA C C 7.136 1.909 1.122 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 14 . 3218 . 1 1 13 ABA CA C 5.631 2.450 0.967 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 14 . 3219 . 1 1 13 ABA N N 4.814 1.387 0.304 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 14 . 3220 . 1 1 13 ABA O O 8.041 2.490 0.504 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 14 . 3221 . 1 1 14 HYP C C 9.560 -0.282 0.665 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 14 . 3222 . 1 1 14 HYP CA C 8.889 0.285 1.947 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 14 . 3223 . 1 1 14 HYP CB C 8.844 -0.764 3.074 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 14 . 3224 . 1 1 14 HYP CD C 6.559 -0.054 2.596 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 14 . 3225 . 1 1 14 HYP CG C 7.377 -1.126 3.314 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 14 . 3226 . 1 1 14 HYP HA H 9.523 1.116 2.306 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 14 . 3227 . 1 1 14 HYP HB2 H 9.420 -1.675 2.823 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 14 . 3228 . 1 1 14 HYP HB3 H 9.302 -0.354 3.995 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 14 . 3229 . 1 1 14 HYP HD1 H 7.295 -0.262 5.026 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 14 . 3230 . 1 1 14 HYP HD22 H 5.841 -0.521 1.912 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 14 . 3231 . 1 1 14 HYP HD23 H 5.979 0.529 3.312 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 14 . 3232 . 1 1 14 HYP HG H 7.154 -2.123 2.888 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 14 . 3233 . 1 1 14 HYP N N 7.495 0.792 1.849 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 14 . 3234 . 1 1 14 HYP O O 10.762 -0.057 0.513 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 14 . 3235 . 1 1 14 HYP OD1 O 7.085 -1.143 4.707 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 14 . 3236 . 1 1 15 ABA C C 10.047 -0.484 -2.449 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 14 . 3237 . 1 1 15 ABA CA C 9.428 -1.593 -1.491 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 14 . 3238 . 1 1 15 ABA N N 8.847 -1.027 -0.226 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 14 . 3239 . 1 1 15 ABA O O 11.196 -0.668 -2.870 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 14 . 3240 . 1 1 16 PRO C C 11.117 2.625 -2.375 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 14 . 3241 . 1 1 16 PRO CA C 10.156 1.862 -3.329 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 14 . 3242 . 1 1 16 PRO CB C 9.041 2.754 -3.899 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 14 . 3243 . 1 1 16 PRO CD C 8.009 1.010 -2.511 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 14 . 3244 . 1 1 16 PRO CG C 7.797 2.421 -3.079 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 14 . 3245 . 1 1 16 PRO HA H 10.788 1.516 -4.152 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 14 . 3246 . 1 1 16 PRO HB2 H 9.278 3.835 -3.863 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 14 . 3247 . 1 1 16 PRO HB3 H 8.863 2.516 -4.966 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 14 . 3248 . 1 1 16 PRO HD2 H 7.782 1.010 -1.436 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 14 . 3249 . 1 1 16 PRO HD3 H 7.338 0.261 -2.951 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 14 . 3250 . 1 1 16 PRO HG2 H 7.703 3.145 -2.250 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 14 . 3251 . 1 1 16 PRO HG3 H 6.876 2.505 -3.682 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 14 . 3252 . 1 1 16 PRO N N 9.423 0.694 -2.779 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 14 . 3253 . 1 1 16 PRO O O 12.079 3.217 -2.872 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 14 . 3254 . 1 1 17 PHL C C 12.107 2.780 1.082 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 14 . 3255 . 1 1 17 PHL CA C 11.553 3.571 -0.123 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 14 . 3256 . 1 1 17 PHL CB C 10.589 4.705 0.312 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 14 . 3257 . 1 1 17 PHL CD1 C 8.629 5.737 -0.944 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 14 . 3258 . 1 1 17 PHL CD2 C 10.853 6.278 -1.706 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 14 . 3259 . 1 1 17 PHL CE1 C 8.089 6.507 -1.969 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 14 . 3260 . 1 1 17 PHL CE2 C 10.313 7.047 -2.731 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 14 . 3261 . 1 1 17 PHL CG C 10.013 5.610 -0.802 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 14 . 3262 . 1 1 17 PHL CZ C 8.932 7.167 -2.859 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 14 . 3263 . 1 1 17 PHL H2 H 9.973 2.159 -0.803 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 14 . 3264 . 1 1 17 PHL HA H 12.428 4.038 -0.614 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 14 . 3265 . 1 1 17 PHL HB2 H 9.766 4.230 0.882 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 14 . 3266 . 1 1 17 PHL HB3 H 11.109 5.355 1.041 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 14 . 3267 . 1 1 17 PHL HC1 H 12.658 1.881 0.747 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 14 . 3268 . 1 1 17 PHL HC2 H 11.288 2.421 1.732 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 14 . 3269 . 1 1 17 PHL HD1 H 7.964 5.226 -0.264 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 14 . 3270 . 1 1 17 PHL HD2 H 11.926 6.172 -1.633 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 14 . 3271 . 1 1 17 PHL HE1 H 7.018 6.590 -2.074 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 14 . 3272 . 1 1 17 PHL HE2 H 10.965 7.546 -3.433 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 14 . 3273 . 1 1 17 PHL HO H 13.702 3.840 1.259 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 14 . 3274 . 1 1 17 PHL HZ H 8.513 7.774 -3.649 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 14 . 3275 . 1 1 17 PHL N N 10.845 2.653 -1.055 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 14 . 3276 . 1 1 17 PHL O O 12.992 3.585 1.852 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
. 15 . 3277 . 1 1 1 ACE C C -11.475 -1.576 -1.112 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 15 . 3278 . 1 1 1 ACE CH3 C -12.265 -2.860 -1.343 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 15 . 3279 . 1 1 1 ACE H1 H -13.303 -2.647 -1.660 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 15 . 3280 . 1 1 1 ACE H2 H -11.792 -3.475 -2.131 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 15 . 3281 . 1 1 1 ACE H3 H -12.307 -3.475 -0.424 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 15 . 3282 . 1 1 1 ACE O O -10.448 -1.351 -1.751 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 15 . 3283 . 1 1 2 TRP C C -10.049 0.169 1.211 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 15 . 3284 . 1 1 2 TRP CA C -11.260 0.478 0.296 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 15 . 3285 . 1 1 2 TRP CB C -12.199 1.568 0.917 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 15 . 3286 . 1 1 2 TRP CD1 C -13.744 0.385 2.702 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 15 . 3287 . 1 1 2 TRP CD2 C -14.810 1.307 0.976 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 15 . 3288 . 1 1 2 TRP CE2 C -15.740 0.630 1.803 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 15 . 3289 . 1 1 2 TRP CE3 C -15.246 1.969 -0.205 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 15 . 3290 . 1 1 2 TRP CG C -13.549 1.143 1.526 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 15 . 3291 . 1 1 2 TRP CH2 C -17.522 1.253 0.286 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 15 . 3292 . 1 1 2 TRP CZ2 C -17.111 0.594 1.448 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 15 . 3293 . 1 1 2 TRP CZ3 C -16.605 1.932 -0.523 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 15 . 3294 . 1 1 2 TRP H H -12.828 -1.080 0.278 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 15 . 3295 . 1 1 2 TRP HA H -10.810 0.945 -0.602 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 15 . 3296 . 1 1 2 TRP HB2 H -11.656 2.179 1.665 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 15 . 3297 . 1 1 2 TRP HB3 H -12.404 2.298 0.123 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 15 . 3298 . 1 1 2 TRP HD1 H -12.952 0.047 3.354 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 15 . 3299 . 1 1 2 TRP HE1 H -15.507 -0.543 3.618 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 15 . 3300 . 1 1 2 TRP HE3 H -14.554 2.497 -0.843 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 15 . 3301 . 1 1 2 TRP HH2 H -18.566 1.241 0.009 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 15 . 3302 . 1 1 2 TRP HZ2 H -17.828 0.065 2.058 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 15 . 3303 . 1 1 2 TRP HZ3 H -16.952 2.438 -1.413 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 15 . 3304 . 1 1 2 TRP N N -11.964 -0.757 -0.172 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 15 . 3305 . 1 1 2 TRP NE1 N -15.098 0.048 2.885 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 15 . 3306 . 1 1 2 TRP O O -8.916 0.511 0.854 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 15 . 3307 . 1 1 3 ILE C C -8.349 -2.198 2.597 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 15 . 3308 . 1 1 3 ILE CA C -9.170 -1.019 3.213 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 15 . 3309 . 1 1 3 ILE CB C -9.603 -1.198 4.711 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 15 . 3310 . 1 1 3 ILE CD1 C -8.592 -0.919 7.109 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 15 . 3311 . 1 1 3 ILE CG1 C -8.382 -1.390 5.661 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 15 . 3312 . 1 1 3 ILE CG2 C -10.660 -2.305 4.953 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 15 . 3313 . 1 1 3 ILE H H -11.273 -0.620 2.570 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 15 . 3314 . 1 1 3 ILE HA H -8.428 -0.197 3.223 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 15 . 3315 . 1 1 3 ILE HB H -10.080 -0.243 5.002 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 15 . 3316 . 1 1 3 ILE HD11 H -9.466 -1.396 7.589 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 15 . 3317 . 1 1 3 ILE HD12 H -7.708 -1.155 7.729 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 15 . 3318 . 1 1 3 ILE HD13 H -8.739 0.177 7.160 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 15 . 3319 . 1 1 3 ILE HG12 H -8.062 -2.449 5.661 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 15 . 3320 . 1 1 3 ILE HG13 H -7.505 -0.838 5.272 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 15 . 3321 . 1 1 3 ILE HG21 H -10.293 -3.306 4.662 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 15 . 3322 . 1 1 3 ILE HG22 H -10.948 -2.364 6.018 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 15 . 3323 . 1 1 3 ILE HG23 H -11.593 -2.118 4.389 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 15 . 3324 . 1 1 3 ILE N N -10.275 -0.491 2.361 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 15 . 3325 . 1 1 3 ILE O O -7.150 -2.256 2.873 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 15 . 3326 . 1 1 4 GLN C C -7.113 -3.247 -0.103 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 15 . 3327 . 1 1 4 GLN CA C -8.093 -3.976 0.868 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 15 . 3328 . 1 1 4 GLN CB C -8.984 -4.989 0.100 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 15 . 3329 . 1 1 4 GLN CD C -10.384 -7.192 0.255 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 15 . 3330 . 1 1 4 GLN CG C -9.474 -6.177 0.970 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 15 . 3331 . 1 1 4 GLN H H -9.913 -2.931 1.569 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 15 . 3332 . 1 1 4 GLN HA H -7.446 -4.575 1.543 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 15 . 3333 . 1 1 4 GLN HB2 H -9.841 -4.473 -0.373 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 15 . 3334 . 1 1 4 GLN HB3 H -8.415 -5.424 -0.748 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 15 . 3335 . 1 1 4 GLN HE21 H -10.437 -8.306 1.923 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 15 . 3336 . 1 1 4 GLN HE22 H -11.384 -8.915 0.477 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 15 . 3337 . 1 1 4 GLN HG2 H -8.589 -6.714 1.364 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 15 . 3338 . 1 1 4 GLN HG3 H -9.999 -5.791 1.865 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 15 . 3339 . 1 1 4 GLN N N -8.911 -3.071 1.731 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 15 . 3340 . 1 1 4 GLN NE2 N -10.775 -8.244 0.957 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 15 . 3341 . 1 1 4 GLN O O -5.958 -3.671 -0.168 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 15 . 3342 . 1 1 4 GLN OE1 O -10.751 -7.060 -0.914 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 15 . 3343 . 1 1 5 . C C -5.463 -0.674 -0.947 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 15 . 3344 . 1 1 5 . CA C -6.672 -1.343 -1.718 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 15 . 3345 . 1 1 5 . CB1 C -6.184 -2.235 -2.909 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 15 . 3346 . 1 1 5 . CB2 C -7.544 -0.178 -2.281 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 15 . 3347 . 1 1 5 . CG1 C -7.193 -2.776 -3.942 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 15 . 3348 . 1 1 5 . H2 H -8.500 -1.886 -0.654 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 15 . 3349 . 1 1 5 . HB11 H -5.432 -1.649 -3.429 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 15 . 3350 . 1 1 5 . HB12 H -5.612 -3.101 -2.532 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 15 . 3351 . 1 1 5 . HB21 H -8.015 0.424 -1.485 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 15 . 3352 . 1 1 5 . HB22 H -6.955 0.527 -2.895 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 15 . 3353 . 1 1 5 . HB23 H -8.372 -0.525 -2.920 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 15 . 3354 . 1 1 5 . HG11 H -7.671 -1.963 -4.517 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 15 . 3355 . 1 1 5 . HG12 H -6.686 -3.428 -4.675 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 15 . 3356 . 1 1 5 . HG13 H -7.995 -3.369 -3.464 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 15 . 3357 . 1 1 5 . N N -7.538 -2.175 -0.825 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 15 . 3358 . 1 1 5 . O O -4.303 -0.816 -1.346 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 15 . 3359 . 1 1 6 ILE C C -3.785 -0.463 1.777 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 15 . 3360 . 1 1 6 ILE CA C -4.662 0.627 1.050 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 15 . 3361 . 1 1 6 ILE CB C -5.255 1.737 2.004 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 15 . 3362 . 1 1 6 ILE CD1 C -7.017 3.682 2.155 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 15 . 3363 . 1 1 6 ILE CG1 C -6.081 2.845 1.266 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 15 . 3364 . 1 1 6 ILE CG2 C -4.154 2.444 2.845 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 15 . 3365 . 1 1 6 ILE H H -6.721 0.094 0.416 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 15 . 3366 . 1 1 6 ILE HA H -3.964 1.159 0.375 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 15 . 3367 . 1 1 6 ILE HB H -5.933 1.226 2.716 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 15 . 3368 . 1 1 6 ILE HD11 H -6.468 4.259 2.920 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 15 . 3369 . 1 1 6 ILE HD12 H -7.587 4.411 1.549 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 15 . 3370 . 1 1 6 ILE HD13 H -7.755 3.046 2.679 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 15 . 3371 . 1 1 6 ILE HG12 H -5.404 3.516 0.703 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 15 . 3372 . 1 1 6 ILE HG13 H -6.727 2.398 0.490 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 15 . 3373 . 1 1 6 ILE HG21 H -3.383 2.910 2.204 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 15 . 3374 . 1 1 6 ILE HG22 H -4.558 3.241 3.494 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 15 . 3375 . 1 1 6 ILE HG23 H -3.635 1.746 3.524 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 15 . 3376 . 1 1 6 ILE N N -5.727 0.038 0.175 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 15 . 3377 . 1 1 6 ILE O O -2.629 -0.167 2.090 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 15 . 3378 . 1 1 7 THR C C -2.508 -3.448 1.392 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 15 . 3379 . 1 1 7 THR CA C -3.465 -2.856 2.471 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 15 . 3380 . 1 1 7 THR CB C -4.376 -3.904 3.181 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 15 . 3381 . 1 1 7 THR CG2 C -3.670 -5.166 3.713 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 15 . 3382 . 1 1 7 THR H H -5.250 -1.826 1.675 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 15 . 3383 . 1 1 7 THR HA H -2.792 -2.469 3.249 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 15 . 3384 . 1 1 7 THR HB H -5.161 -4.235 2.475 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 15 . 3385 . 1 1 7 THR HG1 H -5.470 -2.526 3.964 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 15 . 3386 . 1 1 7 THR HG21 H -4.375 -5.801 4.280 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 15 . 3387 . 1 1 7 THR HG22 H -3.272 -5.787 2.890 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 15 . 3388 . 1 1 7 THR HG23 H -2.828 -4.926 4.388 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 15 . 3389 . 1 1 7 THR N N -4.283 -1.702 2.000 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 15 . 3390 . 1 1 7 THR O O -1.342 -3.645 1.726 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 15 . 3391 . 1 1 7 THR OG1 O -5.007 -3.295 4.305 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 15 . 3392 . 1 1 8 ABA C C -0.863 -2.993 -1.260 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 15 . 3393 . 1 1 8 ABA CA C -2.010 -4.055 -1.010 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 15 . 3394 . 1 1 8 ABA N N -2.937 -3.709 0.134 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 15 . 3395 . 1 1 8 ABA O O 0.300 -3.335 -1.511 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 15 . 3396 . 1 1 9 LEU C C 0.532 -0.190 0.008 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 15 . 3397 . 1 1 9 LEU CA C -0.272 -0.554 -1.287 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 15 . 3398 . 1 1 9 LEU CB C -1.086 0.642 -1.858 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 15 . 3399 . 1 1 9 LEU CD1 C -2.709 1.338 -3.748 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 15 . 3400 . 1 1 9 LEU CD2 C -0.259 0.958 -4.270 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 15 . 3401 . 1 1 9 LEU CG C -1.445 0.537 -3.377 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 15 . 3402 . 1 1 9 LEU H H -2.197 -1.548 -0.906 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 15 . 3403 . 1 1 9 LEU HA H 0.496 -0.792 -2.045 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 15 . 3404 . 1 1 9 LEU HB2 H -2.004 0.773 -1.251 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 15 . 3405 . 1 1 9 LEU HB3 H -0.523 1.578 -1.694 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 15 . 3406 . 1 1 9 LEU HD11 H -2.609 2.414 -3.518 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 15 . 3407 . 1 1 9 LEU HD12 H -2.942 1.250 -4.826 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 15 . 3408 . 1 1 9 LEU HD13 H -3.601 0.968 -3.208 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 15 . 3409 . 1 1 9 LEU HD21 H 0.649 0.360 -4.061 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 15 . 3410 . 1 1 9 LEU HD22 H -0.482 0.826 -5.346 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 15 . 3411 . 1 1 9 LEU HD23 H 0.013 2.018 -4.115 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 15 . 3412 . 1 1 9 LEU HG H -1.684 -0.513 -3.618 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 15 . 3413 . 1 1 9 LEU N N -1.218 -1.696 -1.176 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 15 . 3414 . 1 1 9 LEU O O 1.499 0.566 -0.113 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 15 . 3415 . 1 1 10 ABA C C 2.437 -1.107 2.388 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 15 . 3416 . 1 1 10 ABA CA C 0.953 -0.544 2.496 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 15 . 3417 . 1 1 10 ABA N N 0.181 -0.718 1.217 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 15 . 3418 . 1 1 10 ABA O O 3.355 -0.319 2.626 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 15 . 3419 . 1 1 11 HYP C C 4.758 -2.118 0.287 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 15 . 3420 . 1 1 11 HYP CA C 4.153 -2.771 1.577 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 15 . 3421 . 1 1 11 HYP CB C 4.050 -4.307 1.469 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 15 . 3422 . 1 1 11 HYP CD C 1.825 -3.497 1.842 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 15 . 3423 . 1 1 11 HYP CG C 2.595 -4.578 1.085 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 15 . 3424 . 1 1 11 HYP HA H 4.842 -2.544 2.410 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 15 . 3425 . 1 1 11 HYP HB2 H 4.762 -4.752 0.749 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 15 . 3426 . 1 1 11 HYP HB3 H 4.274 -4.775 2.448 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 15 . 3427 . 1 1 11 HYP HD1 H 1.580 -5.757 2.220 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 15 . 3428 . 1 1 11 HYP HD22 H 0.929 -3.223 1.271 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 15 . 3429 . 1 1 11 HYP HD23 H 1.524 -3.855 2.849 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 15 . 3430 . 1 1 11 HYP HG H 2.468 -4.451 -0.009 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 15 . 3431 . 1 1 11 HYP N N 2.772 -2.379 1.983 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 15 . 3432 . 1 1 11 HYP O O 5.960 -2.293 0.062 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 15 . 3433 . 1 1 11 HYP OD1 O 2.171 -5.880 1.472 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 15 . 3434 . 1 1 12 GLN C C 4.796 1.041 -1.163 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 15 . 3435 . 1 1 12 GLN CA C 4.558 -0.448 -1.569 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 15 . 3436 . 1 1 12 GLN CB C 3.672 -0.525 -2.843 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 15 . 3437 . 1 1 12 GLN CD C 2.709 -1.938 -4.764 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 15 . 3438 . 1 1 12 GLN CG C 3.393 -1.940 -3.389 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 15 . 3439 . 1 1 12 GLN H H 3.045 -1.142 -0.181 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 15 . 3440 . 1 1 12 GLN HA H 5.563 -0.818 -1.825 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 15 . 3441 . 1 1 12 GLN HB2 H 2.707 -0.010 -2.671 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 15 . 3442 . 1 1 12 GLN HB3 H 4.165 0.064 -3.635 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 15 . 3443 . 1 1 12 GLN HE21 H 1.154 -2.962 -4.028 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 15 . 3444 . 1 1 12 GLN HE22 H 1.121 -2.536 -5.816 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 15 . 3445 . 1 1 12 GLN HG2 H 4.342 -2.503 -3.439 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 15 . 3446 . 1 1 12 GLN HG3 H 2.774 -2.469 -2.629 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 15 . 3447 . 1 1 12 GLN N N 3.998 -1.322 -0.505 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 15 . 3448 . 1 1 12 GLN NE2 N 1.534 -2.529 -4.880 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 15 . 3449 . 1 1 12 GLN O O 5.032 1.857 -2.056 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 15 . 3450 . 1 1 12 GLN OE1 O 3.226 -1.405 -5.752 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 15 . 3451 . 1 1 13 ABA C C 7.080 1.999 1.013 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 15 . 3452 . 1 1 13 ABA CA C 5.580 2.508 0.763 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 15 . 3453 . 1 1 13 ABA N N 4.793 1.392 0.148 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 15 . 3454 . 1 1 13 ABA O O 8.004 2.541 0.386 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 15 . 3455 . 1 1 14 HYP C C 9.538 -0.190 0.809 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 15 . 3456 . 1 1 14 HYP CA C 8.808 0.462 2.025 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 15 . 3457 . 1 1 14 HYP CB C 8.724 -0.503 3.226 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 15 . 3458 . 1 1 14 HYP CD C 6.458 0.144 2.601 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 15 . 3459 . 1 1 14 HYP CG C 7.252 -0.855 3.440 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 15 . 3460 . 1 1 14 HYP HA H 9.423 1.329 2.346 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 15 . 3461 . 1 1 14 HYP HB2 H 9.316 -1.424 3.071 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 15 . 3462 . 1 1 14 HYP HB3 H 9.146 -0.018 4.129 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 15 . 3463 . 1 1 14 HYP HD1 H 7.108 0.155 5.067 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 15 . 3464 . 1 1 14 HYP HD22 H 5.780 -0.384 1.922 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 15 . 3465 . 1 1 14 HYP HD23 H 5.834 0.773 3.238 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 15 . 3466 . 1 1 14 HYP HG H 7.048 -1.883 3.097 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 15 . 3467 . 1 1 14 HYP N N 7.417 0.945 1.833 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 15 . 3468 . 1 1 14 HYP O O 10.744 0.038 0.692 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 15 . 3469 . 1 1 14 HYP OD1 O 6.905 -0.750 4.815 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 15 . 3470 . 1 1 15 ABA C C 10.136 -0.611 -2.269 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 15 . 3471 . 1 1 15 ABA CA C 9.505 -1.655 -1.246 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 15 . 3472 . 1 1 15 ABA N N 8.870 -1.006 -0.054 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 15 . 3473 . 1 1 15 ABA O O 11.303 -0.801 -2.636 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 15 . 3474 . 1 1 16 PRO C C 11.154 2.510 -2.410 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 15 . 3475 . 1 1 16 PRO CA C 10.236 1.661 -3.334 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 15 . 3476 . 1 1 16 PRO CB C 9.126 2.488 -4.007 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 15 . 3477 . 1 1 16 PRO CD C 8.077 0.838 -2.519 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 15 . 3478 . 1 1 16 PRO CG C 7.858 2.188 -3.213 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 15 . 3479 . 1 1 16 PRO HA H 10.895 1.260 -4.106 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 15 . 3480 . 1 1 16 PRO HB2 H 9.345 3.574 -4.032 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 15 . 3481 . 1 1 16 PRO HB3 H 8.997 2.177 -5.060 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 15 . 3482 . 1 1 16 PRO HD2 H 7.829 0.929 -1.452 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 15 . 3483 . 1 1 16 PRO HD3 H 7.423 0.042 -2.905 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 15 . 3484 . 1 1 16 PRO HG2 H 7.706 2.975 -2.455 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 15 . 3485 . 1 1 16 PRO HG3 H 6.963 2.194 -3.861 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 15 . 3486 . 1 1 16 PRO N N 9.502 0.525 -2.720 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 15 . 3487 . 1 1 16 PRO O O 12.118 3.086 -2.922 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 15 . 3488 . 1 1 17 PHL C C 12.051 2.857 1.066 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 15 . 3489 . 1 1 17 PHL CA C 11.543 3.575 -0.199 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 15 . 3490 . 1 1 17 PHL CB C 10.576 4.741 0.144 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 15 . 3491 . 1 1 17 PHL CD1 C 10.946 6.248 -1.899 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 15 . 3492 . 1 1 17 PHL CD2 C 8.686 5.632 -1.314 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 15 . 3493 . 1 1 17 PHL CE1 C 10.467 6.943 -3.008 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 15 . 3494 . 1 1 17 PHL CE2 C 8.207 6.328 -2.421 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 15 . 3495 . 1 1 17 PHL CG C 10.056 5.585 -1.046 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 15 . 3496 . 1 1 17 PHL CZ C 9.099 6.984 -3.266 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 15 . 3497 . 1 1 17 PHL H2 H 9.973 2.143 -0.840 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 15 . 3498 . 1 1 17 PHL HA H 12.436 4.010 -0.692 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 15 . 3499 . 1 1 17 PHL HB2 H 9.726 4.312 0.709 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 15 . 3500 . 1 1 17 PHL HB3 H 11.078 5.426 0.852 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 15 . 3501 . 1 1 17 PHL HC1 H 12.612 1.939 0.809 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 15 . 3502 . 1 1 17 PHL HC2 H 11.204 2.537 1.701 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 15 . 3503 . 1 1 17 PHL HD1 H 12.010 6.186 -1.729 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 15 . 3504 . 1 1 17 PHL HD2 H 7.989 5.105 -0.681 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 15 . 3505 . 1 1 17 PHL HE1 H 11.156 7.435 -3.677 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 15 . 3506 . 1 1 17 PHL HE2 H 7.148 6.345 -2.629 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 15 . 3507 . 1 1 17 PHL HO H 13.632 3.938 1.251 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 15 . 3508 . 1 1 17 PHL HZ H 8.727 7.524 -4.123 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 15 . 3509 . 1 1 17 PHL N N 10.852 2.615 -1.100 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 15 . 3510 . 1 1 17 PHL O O 12.900 3.700 1.829 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
. 16 . 3511 . 1 1 1 ACE C C -11.637 -1.672 -0.937 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 16 . 3512 . 1 1 1 ACE CH3 C -12.634 -2.819 -1.083 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 16 . 3513 . 1 1 1 ACE H1 H -13.661 -2.459 -1.282 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 16 . 3514 . 1 1 1 ACE H2 H -12.352 -3.482 -1.922 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 16 . 3515 . 1 1 1 ACE H3 H -12.658 -3.441 -0.169 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 16 . 3516 . 1 1 1 ACE O O -10.536 -1.734 -1.490 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 16 . 3517 . 1 1 2 TRP C C -10.014 0.273 1.108 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 16 . 3518 . 1 1 2 TRP CA C -11.167 0.552 0.095 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 16 . 3519 . 1 1 2 TRP CB C -11.963 1.805 0.567 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 16 . 3520 . 1 1 2 TRP CD1 C -13.548 2.079 -1.540 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 16 . 3521 . 1 1 2 TRP CD2 C -14.418 2.682 0.418 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 16 . 3522 . 1 1 2 TRP CE2 C -15.387 2.843 -0.603 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 16 . 3523 . 1 1 2 TRP CE3 C -14.727 3.015 1.764 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 16 . 3524 . 1 1 2 TRP CG C -13.262 2.188 -0.159 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 16 . 3525 . 1 1 2 TRP CH2 C -16.961 3.661 1.045 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 16 . 3526 . 1 1 2 TRP CZ2 C -16.677 3.335 -0.285 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 16 . 3527 . 1 1 2 TRP CZ3 C -16.002 3.504 2.050 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 16 . 3528 . 1 1 2 TRP H H -12.979 -0.722 0.212 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 16 . 3529 . 1 1 2 TRP HA H -10.694 0.839 -0.866 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 16 . 3530 . 1 1 2 TRP HB2 H -12.193 1.692 1.644 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 16 . 3531 . 1 1 2 TRP HB3 H -11.292 2.684 0.525 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 16 . 3532 . 1 1 2 TRP HD1 H -12.853 1.703 -2.278 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 16 . 3533 . 1 1 2 TRP HE1 H -15.344 2.453 -2.740 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 16 . 3534 . 1 1 2 TRP HE3 H -13.997 2.905 2.552 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 16 . 3535 . 1 1 2 TRP HH2 H -17.937 4.047 1.298 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 16 . 3536 . 1 1 2 TRP HZ2 H -17.427 3.459 -1.051 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 16 . 3537 . 1 1 2 TRP HZ3 H -16.248 3.769 3.069 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 16 . 3538 . 1 1 2 TRP N N -12.032 -0.640 -0.175 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 16 . 3539 . 1 1 2 TRP NE1 N -14.866 2.469 -1.831 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 16 . 3540 . 1 1 2 TRP O O -8.876 0.680 0.864 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 16 . 3541 . 1 1 3 ILE C C -8.373 -2.004 2.645 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 16 . 3542 . 1 1 3 ILE CA C -9.281 -0.864 3.217 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 16 . 3543 . 1 1 3 ILE CB C -9.889 -1.188 4.639 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 16 . 3544 . 1 1 3 ILE CD1 C -12.328 -0.215 4.831 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 16 . 3545 . 1 1 3 ILE CG1 C -10.849 -0.106 5.243 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 16 . 3546 . 1 1 3 ILE CG2 C -8.778 -1.464 5.689 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 16 . 3547 . 1 1 3 ILE H H -11.295 -0.692 2.321 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 16 . 3548 . 1 1 3 ILE HA H -8.599 -0.003 3.337 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 16 . 3549 . 1 1 3 ILE HB H -10.460 -2.134 4.556 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 16 . 3550 . 1 1 3 ILE HD11 H -12.749 -1.207 5.077 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 16 . 3551 . 1 1 3 ILE HD12 H -12.940 0.534 5.366 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 16 . 3552 . 1 1 3 ILE HD13 H -12.486 -0.043 3.753 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 16 . 3553 . 1 1 3 ILE HG12 H -10.849 -0.152 6.348 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 16 . 3554 . 1 1 3 ILE HG13 H -10.474 0.908 5.010 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 16 . 3555 . 1 1 3 ILE HG21 H -8.127 -0.583 5.847 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 16 . 3556 . 1 1 3 ILE HG22 H -9.198 -1.743 6.674 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 16 . 3557 . 1 1 3 ILE HG23 H -8.123 -2.305 5.393 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 16 . 3558 . 1 1 3 ILE N N -10.310 -0.414 2.236 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 16 . 3559 . 1 1 3 ILE O O -7.160 -1.930 2.847 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 16 . 3560 . 1 1 4 GLN C C -7.128 -3.274 0.058 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 16 . 3561 . 1 1 4 GLN CA C -8.110 -3.936 1.070 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 16 . 3562 . 1 1 4 GLN CB C -9.062 -4.923 0.332 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 16 . 3563 . 1 1 4 GLN CD C -8.860 -7.440 0.896 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 16 . 3564 . 1 1 4 GLN CG C -9.582 -6.108 1.187 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 16 . 3565 . 1 1 4 GLN H H -9.933 -2.932 1.791 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 16 . 3566 . 1 1 4 GLN HA H -7.475 -4.529 1.758 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 16 . 3567 . 1 1 4 GLN HB2 H -9.927 -4.371 -0.085 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 16 . 3568 . 1 1 4 GLN HB3 H -8.570 -5.328 -0.574 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 16 . 3569 . 1 1 4 GLN HE21 H -10.448 -8.113 -0.132 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 16 . 3570 . 1 1 4 GLN HE22 H -8.981 -9.211 -0.045 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 16 . 3571 . 1 1 4 GLN HG2 H -9.489 -5.887 2.268 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 16 . 3572 . 1 1 4 GLN HG3 H -10.674 -6.216 1.027 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 16 . 3573 . 1 1 4 GLN N N -8.916 -2.999 1.907 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 16 . 3574 . 1 1 4 GLN NE2 N -9.496 -8.350 0.171 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 16 . 3575 . 1 1 4 GLN O O -5.988 -3.733 -0.022 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 16 . 3576 . 1 1 4 GLN OE1 O -7.719 -7.655 1.306 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 16 . 3577 . 1 1 5 . C C -5.460 -0.749 -0.863 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 16 . 3578 . 1 1 5 . CA C -6.682 -1.426 -1.613 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 16 . 3579 . 1 1 5 . CB1 C -6.222 -2.356 -2.785 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 16 . 3580 . 1 1 5 . CB2 C -7.565 -0.278 -2.192 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 16 . 3581 . 1 1 5 . CG1 C -7.250 -2.905 -3.796 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 16 . 3582 . 1 1 5 . H2 H -8.472 -1.863 -0.469 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 16 . 3583 . 1 1 5 . HB11 H -5.466 -1.796 -3.323 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 16 . 3584 . 1 1 5 . HB12 H -5.665 -3.221 -2.389 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 16 . 3585 . 1 1 5 . HB21 H -7.954 0.398 -1.411 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 16 . 3586 . 1 1 5 . HB22 H -7.006 0.360 -2.903 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 16 . 3587 . 1 1 5 . HB23 H -8.455 -0.649 -2.734 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 16 . 3588 . 1 1 5 . HG11 H -7.732 -2.096 -4.375 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 16 . 3589 . 1 1 5 . HG12 H -6.762 -3.574 -4.527 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 16 . 3590 . 1 1 5 . HG13 H -8.050 -3.482 -3.294 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 16 . 3591 . 1 1 5 . N N -7.544 -2.218 -0.688 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 16 . 3592 . 1 1 5 . O O -4.305 -0.911 -1.267 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 16 . 3593 . 1 1 6 ILE C C -3.753 -0.586 1.829 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 16 . 3594 . 1 1 6 ILE CA C -4.642 0.526 1.149 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 16 . 3595 . 1 1 6 ILE CB C -5.259 1.558 2.172 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 16 . 3596 . 1 1 6 ILE CD1 C -7.104 3.405 2.439 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 16 . 3597 . 1 1 6 ILE CG1 C -6.086 2.715 1.514 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 16 . 3598 . 1 1 6 ILE CG2 C -4.181 2.206 3.085 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 16 . 3599 . 1 1 6 ILE H H -6.699 -0.003 0.525 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 16 . 3600 . 1 1 6 ILE HA H -3.957 1.106 0.500 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 16 . 3601 . 1 1 6 ILE HB H -5.944 0.987 2.829 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 16 . 3602 . 1 1 6 ILE HD11 H -6.630 3.866 3.324 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 16 . 3603 . 1 1 6 ILE HD12 H -7.638 4.212 1.906 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 16 . 3604 . 1 1 6 ILE HD13 H -7.868 2.694 2.804 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 16 . 3605 . 1 1 6 ILE HG12 H -5.408 3.473 1.076 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 16 . 3606 . 1 1 6 ILE HG13 H -6.664 2.342 0.650 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 16 . 3607 . 1 1 6 ILE HG21 H -3.394 2.711 2.494 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 16 . 3608 . 1 1 6 ILE HG22 H -4.600 2.959 3.777 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 16 . 3609 . 1 1 6 ILE HG23 H -3.678 1.460 3.725 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 16 . 3610 . 1 1 6 ILE N N -5.710 -0.029 0.255 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 16 . 3611 . 1 1 6 ILE O O -2.593 -0.306 2.130 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 16 . 3612 . 1 1 7 THR C C -2.503 -3.570 1.468 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 16 . 3613 . 1 1 7 THR CA C -3.474 -2.983 2.533 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 16 . 3614 . 1 1 7 THR CB C -4.430 -4.025 3.185 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 16 . 3615 . 1 1 7 THR CG2 C -3.753 -5.281 3.764 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 16 . 3616 . 1 1 7 THR H H -5.221 -1.938 1.693 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 16 . 3617 . 1 1 7 THR HA H -2.825 -2.615 3.341 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 16 . 3618 . 1 1 7 THR HB H -5.167 -4.359 2.433 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 16 . 3619 . 1 1 7 THR HG1 H -5.446 -2.568 3.919 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 16 . 3620 . 1 1 7 THR HG21 H -4.491 -5.938 4.260 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 16 . 3621 . 1 1 7 THR HG22 H -3.267 -5.886 2.975 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 16 . 3622 . 1 1 7 THR HG23 H -2.978 -5.027 4.512 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 16 . 3623 . 1 1 7 THR N N -4.264 -1.818 2.044 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 16 . 3624 . 1 1 7 THR O O -1.335 -3.760 1.808 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 16 . 3625 . 1 1 7 THR OG1 O -5.136 -3.412 4.260 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 16 . 3626 . 1 1 8 ABA C C -0.880 -3.033 -1.174 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 16 . 3627 . 1 1 8 ABA CA C -2.007 -4.122 -0.943 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 16 . 3628 . 1 1 8 ABA N N -2.934 -3.829 0.210 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 16 . 3629 . 1 1 8 ABA O O 0.281 -3.347 -1.460 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 16 . 3630 . 1 1 9 LEU C C 0.537 -0.283 0.156 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 16 . 3631 . 1 1 9 LEU CA C -0.307 -0.591 -1.128 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 16 . 3632 . 1 1 9 LEU CB C -1.136 0.638 -1.602 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 16 . 3633 . 1 1 9 LEU CD1 C -2.837 1.472 -3.347 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 16 . 3634 . 1 1 9 LEU CD2 C -0.437 1.040 -4.045 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 16 . 3635 . 1 1 9 LEU CG C -1.579 0.616 -3.098 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 16 . 3636 . 1 1 9 LEU H H -2.219 -1.602 -0.756 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 16 . 3637 . 1 1 9 LEU HA H 0.433 -0.794 -1.922 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 16 . 3638 . 1 1 9 LEU HB2 H -2.017 0.746 -0.941 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 16 . 3639 . 1 1 9 LEU HB3 H -0.555 1.560 -1.424 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 16 . 3640 . 1 1 9 LEU HD11 H -2.674 2.539 -3.104 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 16 . 3641 . 1 1 9 LEU HD12 H -3.166 1.416 -4.403 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 16 . 3642 . 1 1 9 LEU HD13 H -3.695 1.127 -2.740 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 16 . 3643 . 1 1 9 LEU HD21 H 0.462 0.411 -3.910 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 16 . 3644 . 1 1 9 LEU HD22 H -0.729 0.950 -5.109 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 16 . 3645 . 1 1 9 LEU HD23 H -0.127 2.088 -3.873 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 16 . 3646 . 1 1 9 LEU HG H -1.864 -0.418 -3.368 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 16 . 3647 . 1 1 9 LEU N N -1.245 -1.742 -1.039 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 16 . 3648 . 1 1 9 LEU O O 1.502 0.476 0.033 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 16 . 3649 . 1 1 10 ABA C C 2.510 -1.264 2.443 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 16 . 3650 . 1 1 10 ABA CA C 1.027 -0.716 2.609 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 16 . 3651 . 1 1 10 ABA N N 0.223 -0.852 1.352 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 16 . 3652 . 1 1 10 ABA O O 3.429 -0.480 2.708 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 16 . 3653 . 1 1 11 HYP C C 4.786 -2.158 0.247 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 16 . 3654 . 1 1 11 HYP CA C 4.223 -2.868 1.523 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 16 . 3655 . 1 1 11 HYP CB C 4.156 -4.401 1.372 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 16 . 3656 . 1 1 11 HYP CD C 1.919 -3.649 1.830 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 16 . 3657 . 1 1 11 HYP CG C 2.696 -4.711 1.052 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 16 . 3658 . 1 1 11 HYP HA H 4.923 -2.649 2.353 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 16 . 3659 . 1 1 11 HYP HB2 H 4.848 -4.800 0.612 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 16 . 3660 . 1 1 11 HYP HB3 H 4.437 -4.886 2.324 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 16 . 3661 . 1 1 11 HYP HD1 H 1.430 -5.951 1.804 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 16 . 3662 . 1 1 11 HYP HD22 H 0.997 -3.383 1.289 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 16 . 3663 . 1 1 11 HYP HD23 H 1.639 -4.029 2.830 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 16 . 3664 . 1 1 11 HYP HG H 2.514 -4.607 -0.038 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 16 . 3665 . 1 1 11 HYP N N 2.845 -2.512 1.965 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 16 . 3666 . 1 1 11 HYP O O 5.984 -2.310 -0.010 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 16 . 3667 . 1 1 11 HYP OD1 O 2.334 -6.017 1.486 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 16 . 3668 . 1 1 12 GLN C C 4.773 1.051 -1.071 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 16 . 3669 . 1 1 12 GLN CA C 4.514 -0.420 -1.535 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 16 . 3670 . 1 1 12 GLN CB C 3.569 -0.427 -2.775 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 16 . 3671 . 1 1 12 GLN CD C 2.552 -1.738 -4.750 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 16 . 3672 . 1 1 12 GLN CG C 3.271 -1.809 -3.388 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 16 . 3673 . 1 1 12 GLN H H 3.048 -1.180 -0.136 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 16 . 3674 . 1 1 12 GLN HA H 5.506 -0.778 -1.853 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 16 . 3675 . 1 1 12 GLN HB2 H 2.608 0.062 -2.524 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 16 . 3676 . 1 1 12 GLN HB3 H 4.023 0.215 -3.551 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 16 . 3677 . 1 1 12 GLN HE21 H 1.039 -2.852 -4.052 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 16 . 3678 . 1 1 12 GLN HE22 H 0.967 -2.295 -5.810 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 16 . 3679 . 1 1 12 GLN HG2 H 4.219 -2.373 -3.497 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 16 . 3680 . 1 1 12 GLN HG3 H 2.679 -2.371 -2.634 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 16 . 3681 . 1 1 12 GLN N N 3.995 -1.340 -0.491 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 16 . 3682 . 1 1 12 GLN NE2 N 1.386 -2.342 -4.872 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 16 . 3683 . 1 1 12 GLN O O 5.032 1.889 -1.935 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 16 . 3684 . 1 1 12 GLN OE1 O 3.048 -1.155 -5.712 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 16 . 3685 . 1 1 13 ABA C C 7.082 1.953 1.066 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 16 . 3686 . 1 1 13 ABA CA C 5.568 2.454 0.897 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 16 . 3687 . 1 1 13 ABA N N 4.785 1.356 0.250 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 16 . 3688 . 1 1 13 ABA O O 7.975 2.540 0.429 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 16 . 3689 . 1 1 14 HYP C C 9.569 -0.178 0.675 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 16 . 3690 . 1 1 14 HYP CA C 8.878 0.408 1.941 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 16 . 3691 . 1 1 14 HYP CB C 8.861 -0.603 3.104 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 16 . 3692 . 1 1 14 HYP CD C 6.553 0.009 2.587 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 16 . 3693 . 1 1 14 HYP CG C 7.404 -1.000 3.361 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 16 . 3694 . 1 1 14 HYP HA H 9.480 1.271 2.277 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 16 . 3695 . 1 1 14 HYP HB2 H 9.468 -1.503 2.896 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 16 . 3696 . 1 1 14 HYP HB3 H 9.301 -0.137 4.008 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 16 . 3697 . 1 1 14 HYP HD1 H 7.323 -0.055 5.025 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 16 . 3698 . 1 1 14 HYP HD22 H 5.873 -0.513 1.908 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 16 . 3699 . 1 1 14 HYP HD23 H 5.928 0.587 3.267 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 16 . 3700 . 1 1 14 HYP HG H 7.208 -2.023 2.990 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 16 . 3701 . 1 1 14 HYP N N 7.470 0.868 1.822 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 16 . 3702 . 1 1 14 HYP O O 10.765 0.066 0.513 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 16 . 3703 . 1 1 14 HYP OD1 O 7.114 -0.951 4.753 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 16 . 3704 . 1 1 15 ABA C C 10.077 -0.460 -2.434 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 16 . 3705 . 1 1 15 ABA CA C 9.472 -1.547 -1.443 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 16 . 3706 . 1 1 15 ABA N N 8.875 -0.959 -0.198 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 16 . 3707 . 1 1 15 ABA O O 11.240 -0.625 -2.830 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 16 . 3708 . 1 1 16 PRO C C 11.059 2.681 -2.455 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 16 . 3709 . 1 1 16 PRO CA C 10.136 1.853 -3.398 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 16 . 3710 . 1 1 16 PRO CB C 9.001 2.681 -4.029 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 16 . 3711 . 1 1 16 PRO CD C 8.006 0.973 -2.570 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 16 . 3712 . 1 1 16 PRO CG C 7.730 2.308 -3.269 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 16 . 3713 . 1 1 16 PRO HA H 10.792 1.496 -4.198 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 16 . 3714 . 1 1 16 PRO HB2 H 9.183 3.772 -4.003 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 16 . 3715 . 1 1 16 PRO HB3 H 8.886 2.419 -5.098 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 16 . 3716 . 1 1 16 PRO HD2 H 7.801 1.071 -1.495 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 16 . 3717 . 1 1 16 PRO HD3 H 7.341 0.175 -2.921 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 16 . 3718 . 1 1 16 PRO HG2 H 7.498 3.084 -2.515 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 16 . 3719 . 1 1 16 PRO HG3 H 6.851 2.248 -3.939 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 16 . 3720 . 1 1 16 PRO N N 9.425 0.684 -2.822 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 16 . 3721 . 1 1 16 PRO O O 12.010 3.293 -2.955 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 16 . 3722 . 1 1 17 PHL C C 12.041 2.889 0.996 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 16 . 3723 . 1 1 17 PHL CA C 11.462 3.671 -0.207 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 16 . 3724 . 1 1 17 PHL CB C 10.478 4.797 0.204 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 16 . 3725 . 1 1 17 PHL CD1 C 8.636 5.688 -1.335 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 16 . 3726 . 1 1 17 PHL CD2 C 10.891 6.490 -1.665 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 16 . 3727 . 1 1 17 PHL CE1 C 8.206 6.448 -2.420 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 16 . 3728 . 1 1 17 PHL CE2 C 10.461 7.244 -2.754 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 16 . 3729 . 1 1 17 PHL CG C 9.979 5.705 -0.945 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 16 . 3730 . 1 1 17 PHL CZ C 9.118 7.228 -3.128 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 16 . 3731 . 1 1 17 PHL H2 H 9.906 2.232 -0.890 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 16 . 3732 . 1 1 17 PHL HA H 12.331 4.160 -0.688 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 16 . 3733 . 1 1 17 PHL HB2 H 9.623 4.334 0.736 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 16 . 3734 . 1 1 17 PHL HB3 H 10.965 5.439 0.962 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 16 . 3735 . 1 1 17 PHL HC1 H 12.749 2.110 0.654 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 16 . 3736 . 1 1 17 PHL HC2 H 11.255 2.355 1.552 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 16 . 3737 . 1 1 17 PHL HD1 H 7.933 5.042 -0.830 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 16 . 3738 . 1 1 17 PHL HD2 H 11.944 6.460 -1.425 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 16 . 3739 . 1 1 17 PHL HE1 H 7.169 6.414 -2.724 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 16 . 3740 . 1 1 17 PHL HE2 H 11.178 7.815 -3.325 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 16 . 3741 . 1 1 17 PHL HO H 13.441 3.207 2.267 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 16 . 3742 . 1 1 17 PHL HZ H 8.789 7.802 -3.986 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 16 . 3743 . 1 1 17 PHL N N 10.776 2.732 -1.138 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 16 . 3744 . 1 1 17 PHL O O 12.738 3.747 1.890 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
. 17 . 3745 . 1 1 1 ACE C C -11.586 -1.112 -1.134 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 17 . 3746 . 1 1 1 ACE CH3 C -12.766 -2.001 -1.526 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 17 . 3747 . 1 1 1 ACE H1 H -13.653 -1.411 -1.825 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 17 . 3748 . 1 1 1 ACE H2 H -12.501 -2.650 -2.381 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 17 . 3749 . 1 1 1 ACE H3 H -13.059 -2.662 -0.691 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 17 . 3750 . 1 1 1 ACE O O -10.445 -1.407 -1.497 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 17 . 3751 . 1 1 2 TRP C C -9.856 0.391 1.204 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 17 . 3752 . 1 1 2 TRP CA C -10.827 0.916 0.100 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 17 . 3753 . 1 1 2 TRP CB C -11.483 2.263 0.531 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 17 . 3754 . 1 1 2 TRP CD1 C -12.547 3.761 -1.355 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 17 . 3755 . 1 1 2 TRP CD2 C -10.393 4.143 -0.939 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 17 . 3756 . 1 1 2 TRP CE2 C -10.845 5.029 -1.951 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 17 . 3757 . 1 1 2 TRP CE3 C -9.048 4.197 -0.487 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 17 . 3758 . 1 1 2 TRP CG C -11.461 3.347 -0.556 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 17 . 3759 . 1 1 2 TRP CH2 C -8.639 6.019 -2.051 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 17 . 3760 . 1 1 2 TRP CZ2 C -9.956 5.982 -2.507 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 17 . 3761 . 1 1 2 TRP CZ3 C -8.192 5.139 -1.055 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 17 . 3762 . 1 1 2 TRP H H -12.862 0.064 -0.132 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 17 . 3763 . 1 1 2 TRP HA H -10.167 1.126 -0.765 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 17 . 3764 . 1 1 2 TRP HB2 H -12.516 2.111 0.901 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 17 . 3765 . 1 1 2 TRP HB3 H -10.967 2.689 1.414 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 17 . 3766 . 1 1 2 TRP HD1 H -13.543 3.345 -1.299 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 17 . 3767 . 1 1 2 TRP HE1 H -12.774 5.298 -2.906 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 17 . 3768 . 1 1 2 TRP HE3 H -8.692 3.529 0.285 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 17 . 3769 . 1 1 2 TRP HH2 H -7.951 6.741 -2.465 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 17 . 3770 . 1 1 2 TRP HZ2 H -10.289 6.675 -3.267 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 17 . 3771 . 1 1 2 TRP HZ3 H -7.168 5.199 -0.722 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 17 . 3772 . 1 1 2 TRP N N -11.872 -0.038 -0.380 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 17 . 3773 . 1 1 2 TRP NE1 N -12.183 4.805 -2.228 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 17 . 3774 . 1 1 2 TRP O O -8.698 0.819 1.210 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 17 . 3775 . 1 1 3 ILE C C -8.469 -2.187 2.612 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 17 . 3776 . 1 1 3 ILE CA C -9.409 -1.076 3.179 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 17 . 3777 . 1 1 3 ILE CB C -10.161 -1.485 4.505 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 17 . 3778 . 1 1 3 ILE CD1 C -12.597 -0.498 4.480 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 17 . 3779 . 1 1 3 ILE CG1 C -11.176 -0.436 5.068 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 17 . 3780 . 1 1 3 ILE CG2 C -9.157 -1.806 5.646 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 17 . 3781 . 1 1 3 ILE H H -11.272 -0.786 2.019 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 17 . 3782 . 1 1 3 ILE HA H -8.718 -0.261 3.445 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 17 . 3783 . 1 1 3 ILE HB H -10.715 -2.424 4.311 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 17 . 3784 . 1 1 3 ILE HD11 H -13.047 -1.500 4.603 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 17 . 3785 . 1 1 3 ILE HD12 H -13.265 0.221 4.991 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 17 . 3786 . 1 1 3 ILE HD13 H -12.624 -0.249 3.404 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 17 . 3787 . 1 1 3 ILE HG12 H -11.310 -0.560 6.160 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 17 . 3788 . 1 1 3 ILE HG13 H -10.773 0.586 4.954 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 17 . 3789 . 1 1 3 ILE HG21 H -8.549 -0.924 5.920 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 17 . 3790 . 1 1 3 ILE HG22 H -9.672 -2.147 6.564 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 17 . 3791 . 1 1 3 ILE HG23 H -8.456 -2.614 5.374 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 17 . 3792 . 1 1 3 ILE N N -10.293 -0.497 2.123 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 17 . 3793 . 1 1 3 ILE O O -7.267 -2.116 2.873 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 17 . 3794 . 1 1 4 GLN C C -7.094 -3.311 0.030 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 17 . 3795 . 1 1 4 GLN CA C -8.112 -4.030 0.963 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 17 . 3796 . 1 1 4 GLN CB C -8.960 -5.080 0.199 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 17 . 3797 . 1 1 4 GLN CD C -10.800 -5.736 -1.497 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 17 . 3798 . 1 1 4 GLN CG C -10.041 -4.591 -0.800 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 17 . 3799 . 1 1 4 GLN H H -9.976 -3.068 1.627 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 17 . 3800 . 1 1 4 GLN HA H -7.487 -4.615 1.668 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 17 . 3801 . 1 1 4 GLN HB2 H -8.270 -5.763 -0.337 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 17 . 3802 . 1 1 4 GLN HB3 H -9.444 -5.736 0.947 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 17 . 3803 . 1 1 4 GLN HE21 H -10.474 -4.902 -3.292 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 17 . 3804 . 1 1 4 GLN HE22 H -11.394 -6.490 -3.256 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 17 . 3805 . 1 1 4 GLN HG2 H -10.776 -3.963 -0.266 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 17 . 3806 . 1 1 4 GLN HG3 H -9.571 -3.924 -1.544 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 17 . 3807 . 1 1 4 GLN N N -8.972 -3.151 1.809 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 17 . 3808 . 1 1 4 GLN NE2 N -10.888 -5.713 -2.818 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 17 . 3809 . 1 1 4 GLN O O -5.954 -3.770 -0.057 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 17 . 3810 . 1 1 4 GLN OE1 O -11.331 -6.643 -0.855 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 17 . 3811 . 1 1 5 . C C -5.403 -0.737 -0.704 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 17 . 3812 . 1 1 5 . CA C -6.624 -1.356 -1.506 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 17 . 3813 . 1 1 5 . CB1 C -6.155 -2.223 -2.721 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 17 . 3814 . 1 1 5 . CB2 C -7.485 -0.169 -2.036 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 17 . 3815 . 1 1 5 . CG1 C -7.164 -2.729 -3.777 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 17 . 3816 . 1 1 5 . H2 H -8.458 -1.941 -0.446 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 17 . 3817 . 1 1 5 . HB11 H -5.380 -1.643 -3.212 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 17 . 3818 . 1 1 5 . HB12 H -5.599 -3.108 -2.368 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 17 . 3819 . 1 1 5 . HB21 H -7.921 0.434 -1.221 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 17 . 3820 . 1 1 5 . HB22 H -6.890 0.528 -2.656 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 17 . 3821 . 1 1 5 . HB23 H -8.338 -0.491 -2.662 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 17 . 3822 . 1 1 5 . HG11 H -7.643 -1.903 -4.328 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 17 . 3823 . 1 1 5 . HG12 H -6.653 -3.359 -4.527 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 17 . 3824 . 1 1 5 . HG13 H -7.965 -3.341 -3.321 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 17 . 3825 . 1 1 5 . N N -7.494 -2.203 -0.637 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 17 . 3826 . 1 1 5 . O O -4.243 -0.955 -1.064 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 17 . 3827 . 1 1 6 ILE C C -3.757 -0.618 2.061 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 17 . 3828 . 1 1 6 ILE CA C -4.585 0.506 1.336 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 17 . 3829 . 1 1 6 ILE CB C -5.206 1.600 2.289 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 17 . 3830 . 1 1 6 ILE CD1 C -4.734 3.727 0.774 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 17 . 3831 . 1 1 6 ILE CG1 C -5.752 2.865 1.547 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 17 . 3832 . 1 1 6 ILE CG2 C -4.315 2.069 3.471 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 17 . 3833 . 1 1 6 ILE H H -6.648 0.110 0.624 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 17 . 3834 . 1 1 6 ILE HA H -3.841 1.029 0.706 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 17 . 3835 . 1 1 6 ILE HB H -6.084 1.132 2.774 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 17 . 3836 . 1 1 6 ILE HD11 H -4.249 3.164 -0.045 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 17 . 3837 . 1 1 6 ILE HD12 H -5.227 4.602 0.314 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 17 . 3838 . 1 1 6 ILE HD13 H -3.935 4.121 1.431 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 17 . 3839 . 1 1 6 ILE HG12 H -6.546 2.559 0.840 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 17 . 3840 . 1 1 6 ILE HG13 H -6.278 3.516 2.271 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 17 . 3841 . 1 1 6 ILE HG21 H -3.340 2.466 3.130 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 17 . 3842 . 1 1 6 ILE HG22 H -4.803 2.866 4.067 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 17 . 3843 . 1 1 6 ILE HG23 H -4.104 1.244 4.177 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 17 . 3844 . 1 1 6 ILE N N -5.652 -0.002 0.408 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 17 . 3845 . 1 1 6 ILE O O -2.620 -0.344 2.448 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 17 . 3846 . 1 1 7 THR C C -2.499 -3.578 1.577 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 17 . 3847 . 1 1 7 THR CA C -3.491 -3.042 2.652 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 17 . 3848 . 1 1 7 THR CB C -4.455 -4.104 3.259 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 17 . 3849 . 1 1 7 THR CG2 C -3.793 -5.393 3.778 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 17 . 3850 . 1 1 7 THR H H -5.233 -1.956 1.851 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 17 . 3851 . 1 1 7 THR HA H -2.851 -2.705 3.479 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 17 . 3852 . 1 1 7 THR HB H -5.195 -4.396 2.491 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 17 . 3853 . 1 1 7 THR HG1 H -5.462 -2.671 4.047 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 17 . 3854 . 1 1 7 THR HG21 H -4.536 -6.047 4.272 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 17 . 3855 . 1 1 7 THR HG22 H -3.343 -5.981 2.957 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 17 . 3856 . 1 1 7 THR HG23 H -2.996 -5.184 4.515 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 17 . 3857 . 1 1 7 THR N N -4.275 -1.858 2.202 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 17 . 3858 . 1 1 7 THR O O -1.325 -3.731 1.915 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 17 . 3859 . 1 1 7 THR OG1 O -5.160 -3.530 4.356 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 17 . 3860 . 1 1 8 ABA C C -0.865 -3.054 -1.088 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 17 . 3861 . 1 1 8 ABA CA C -1.984 -4.151 -0.827 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 17 . 3862 . 1 1 8 ABA N N -2.920 -3.834 0.314 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 17 . 3863 . 1 1 8 ABA O O 0.292 -3.364 -1.389 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 17 . 3864 . 1 1 9 LEU C C 0.507 -0.263 0.216 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 17 . 3865 . 1 1 9 LEU CA C -0.323 -0.605 -1.069 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 17 . 3866 . 1 1 9 LEU CB C -1.170 0.598 -1.580 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 17 . 3867 . 1 1 9 LEU CD1 C -2.875 1.327 -3.383 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 17 . 3868 . 1 1 9 LEU CD2 C -0.451 0.984 -4.015 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 17 . 3869 . 1 1 9 LEU CG C -1.592 0.527 -3.082 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 17 . 3870 . 1 1 9 LEU H H -2.209 -1.646 -0.635 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 17 . 3871 . 1 1 9 LEU HA H 0.426 -0.807 -1.856 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 17 . 3872 . 1 1 9 LEU HB2 H -2.062 0.705 -0.935 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 17 . 3873 . 1 1 9 LEU HB3 H -0.614 1.539 -1.416 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 17 . 3874 . 1 1 9 LEU HD11 H -2.763 2.403 -3.153 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 17 . 3875 . 1 1 9 LEU HD12 H -3.161 1.246 -4.450 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 17 . 3876 . 1 1 9 LEU HD13 H -3.738 0.952 -2.803 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 17 . 3877 . 1 1 9 LEU HD21 H 0.474 0.402 -3.850 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 17 . 3878 . 1 1 9 LEU HD22 H -0.718 0.862 -5.083 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 17 . 3879 . 1 1 9 LEU HD23 H -0.196 2.048 -3.857 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 17 . 3880 . 1 1 9 LEU HG H -1.828 -0.522 -3.334 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 17 . 3881 . 1 1 9 LEU N N -1.243 -1.767 -0.957 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 17 . 3882 . 1 1 9 LEU O O 1.470 0.499 0.086 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 17 . 3883 . 1 1 10 ABA C C 2.495 -1.224 2.483 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 17 . 3884 . 1 1 10 ABA CA C 1.013 -0.681 2.675 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 17 . 3885 . 1 1 10 ABA N N 0.190 -0.812 1.424 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 17 . 3886 . 1 1 10 ABA O O 3.417 -0.438 2.716 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 17 . 3887 . 1 1 11 HYP C C 4.750 -2.138 0.252 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 17 . 3888 . 1 1 11 HYP CA C 4.198 -2.836 1.542 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 17 . 3889 . 1 1 11 HYP CB C 4.117 -4.369 1.401 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 17 . 3890 . 1 1 11 HYP CD C 1.886 -3.604 1.877 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 17 . 3891 . 1 1 11 HYP CG C 2.652 -4.670 1.090 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 17 . 3892 . 1 1 11 HYP HA H 4.914 -2.618 2.356 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 17 . 3893 . 1 1 11 HYP HB2 H 4.798 -4.784 0.636 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 17 . 3894 . 1 1 11 HYP HB3 H 4.402 -4.849 2.357 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 17 . 3895 . 1 1 11 HYP HD1 H 1.441 -5.894 1.955 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 17 . 3896 . 1 1 11 HYP HD22 H 0.972 -3.330 1.334 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 17 . 3897 . 1 1 11 HYP HD23 H 1.609 -3.978 2.882 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 17 . 3898 . 1 1 11 HYP HG H 2.461 -4.555 0.004 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 17 . 3899 . 1 1 11 HYP N N 2.825 -2.475 2.006 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 17 . 3900 . 1 1 11 HYP O O 5.949 -2.289 -0.013 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 17 . 3901 . 1 1 11 HYP OD1 O 2.289 -5.979 1.512 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 17 . 3902 . 1 1 12 GLN C C 4.718 1.054 -1.096 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 17 . 3903 . 1 1 12 GLN CA C 4.464 -0.421 -1.546 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 17 . 3904 . 1 1 12 GLN CB C 3.525 -0.456 -2.785 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 17 . 3905 . 1 1 12 GLN CD C 2.527 -1.791 -4.741 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 17 . 3906 . 1 1 12 GLN CG C 3.229 -1.851 -3.372 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 17 . 3907 . 1 1 12 GLN H H 3.009 -1.178 -0.134 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 17 . 3908 . 1 1 12 GLN HA H 5.459 -0.777 -1.857 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 17 . 3909 . 1 1 12 GLN HB2 H 2.569 0.044 -2.547 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 17 . 3910 . 1 1 12 GLN HB3 H 3.982 0.169 -3.573 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 17 . 3911 . 1 1 12 GLN HE21 H 0.948 -2.805 -4.029 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 17 . 3912 . 1 1 12 GLN HE22 H 0.911 -2.287 -5.794 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 17 . 3913 . 1 1 12 GLN HG2 H 4.176 -2.415 -3.467 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 17 . 3914 . 1 1 12 GLN HG3 H 2.625 -2.403 -2.618 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 17 . 3915 . 1 1 12 GLN N N 3.952 -1.337 -0.490 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 17 . 3916 . 1 1 12 GLN NE2 N 1.333 -2.344 -4.862 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 17 . 3917 . 1 1 12 GLN O O 4.947 1.890 -1.973 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 17 . 3918 . 1 1 12 GLN OE1 O 3.054 -1.255 -5.715 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 17 . 3919 . 1 1 13 ABA C C 7.050 1.979 1.033 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 17 . 3920 . 1 1 13 ABA CA C 5.535 2.473 0.849 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 17 . 3921 . 1 1 13 ABA N N 4.743 1.367 0.222 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 17 . 3922 . 1 1 13 ABA O O 7.941 2.559 0.392 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 17 . 3923 . 1 1 14 HYP C C 9.535 -0.162 0.680 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 17 . 3924 . 1 1 14 HYP CA C 8.841 0.448 1.936 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 17 . 3925 . 1 1 14 HYP CB C 8.819 -0.552 3.108 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 17 . 3926 . 1 1 14 HYP CD C 6.519 0.055 2.574 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 17 . 3927 . 1 1 14 HYP CG C 7.363 -0.946 3.359 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 17 . 3928 . 1 1 14 HYP HA H 9.448 1.316 2.260 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 17 . 3929 . 1 1 14 HYP HB2 H 9.426 -1.455 2.908 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 17 . 3930 . 1 1 14 HYP HB3 H 9.258 -0.083 4.010 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 17 . 3931 . 1 1 14 HYP HD1 H 7.238 0.015 5.018 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 17 . 3932 . 1 1 14 HYP HD22 H 5.842 -0.473 1.894 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 17 . 3933 . 1 1 14 HYP HD23 H 5.890 0.638 3.247 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 17 . 3934 . 1 1 14 HYP HG H 7.174 -1.973 2.995 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 17 . 3935 . 1 1 14 HYP N N 7.436 0.908 1.809 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 17 . 3936 . 1 1 14 HYP O O 10.735 0.079 0.529 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 17 . 3937 . 1 1 14 HYP OD1 O 7.059 -0.889 4.748 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 17 . 3938 . 1 1 15 ABA C C 10.047 -0.474 -2.416 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 17 . 3939 . 1 1 15 ABA CA C 9.445 -1.557 -1.421 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 17 . 3940 . 1 1 15 ABA N N 8.844 -0.954 -0.186 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 17 . 3941 . 1 1 15 ABA O O 11.212 -0.635 -2.807 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 17 . 3942 . 1 1 16 PRO C C 11.009 2.674 -2.484 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 17 . 3943 . 1 1 16 PRO CA C 10.095 1.827 -3.414 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 17 . 3944 . 1 1 16 PRO CB C 8.959 2.645 -4.052 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 17 . 3945 . 1 1 16 PRO CD C 7.965 0.951 -2.577 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 17 . 3946 . 1 1 16 PRO CG C 7.702 2.301 -3.256 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 17 . 3947 . 1 1 16 PRO HA H 10.754 1.457 -4.204 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 17 . 3948 . 1 1 16 PRO HB2 H 9.153 3.735 -4.060 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 17 . 3949 . 1 1 16 PRO HB3 H 8.826 2.348 -5.110 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 17 . 3950 . 1 1 16 PRO HD2 H 7.743 1.029 -1.504 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 17 . 3951 . 1 1 16 PRO HD3 H 7.314 0.151 -2.955 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 17 . 3952 . 1 1 16 PRO HG2 H 7.524 3.079 -2.490 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 17 . 3953 . 1 1 16 PRO HG3 H 6.805 2.280 -3.901 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 17 . 3954 . 1 1 16 PRO N N 9.390 0.664 -2.816 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 17 . 3955 . 1 1 16 PRO O O 11.940 3.299 -3.003 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 17 . 3956 . 1 1 17 PHL C C 12.009 2.933 0.965 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 17 . 3957 . 1 1 17 PHL CA C 11.434 3.680 -0.257 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 17 . 3958 . 1 1 17 PHL CB C 10.456 4.814 0.148 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 17 . 3959 . 1 1 17 PHL CD1 C 10.826 6.477 -1.761 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 17 . 3960 . 1 1 17 PHL CD2 C 8.586 5.673 -1.362 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 17 . 3961 . 1 1 17 PHL CE1 C 10.369 7.213 -2.849 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 17 . 3962 . 1 1 17 PHL CE2 C 8.126 6.415 -2.449 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 17 . 3963 . 1 1 17 PHL CG C 9.936 5.700 -1.007 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 17 . 3964 . 1 1 17 PHL CZ C 9.018 7.186 -3.189 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 17 . 3965 . 1 1 17 PHL H2 H 9.880 2.224 -0.899 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 17 . 3966 . 1 1 17 PHL HA H 12.300 4.153 -0.760 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 17 . 3967 . 1 1 17 PHL HB2 H 9.612 4.354 0.697 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 17 . 3968 . 1 1 17 PHL HB3 H 10.957 5.471 0.882 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 17 . 3969 . 1 1 17 PHL HC1 H 12.571 2.034 0.649 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 17 . 3970 . 1 1 17 PHL HC2 H 11.204 2.578 1.633 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 17 . 3971 . 1 1 17 PHL HD1 H 11.882 6.468 -1.533 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 17 . 3972 . 1 1 17 PHL HD2 H 7.893 5.046 -0.820 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 17 . 3973 . 1 1 17 PHL HE1 H 11.067 7.789 -3.439 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 17 . 3974 . 1 1 17 PHL HE2 H 7.082 6.379 -2.722 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 17 . 3975 . 1 1 17 PHL HO H 13.550 4.079 1.075 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 17 . 3976 . 1 1 17 PHL HZ H 8.664 7.760 -4.033 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 17 . 3977 . 1 1 17 PHL N N 10.743 2.728 -1.165 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 17 . 3978 . 1 1 17 PHL O O 12.889 3.774 1.701 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
. 18 . 3979 . 1 1 1 ACE C C -11.713 -1.770 -0.689 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 18 . 3980 . 1 1 1 ACE CH3 C -12.636 -2.988 -0.674 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 18 . 3981 . 1 1 1 ACE H1 H -13.698 -2.709 -0.812 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 18 . 3982 . 1 1 1 ACE H2 H -12.376 -3.700 -1.478 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 18 . 3983 . 1 1 1 ACE H3 H -12.548 -3.540 0.280 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 18 . 3984 . 1 1 1 ACE O O -10.636 -1.812 -1.290 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 18 . 3985 . 1 1 2 TRP C C -10.092 0.253 1.232 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 18 . 3986 . 1 1 2 TRP CA C -11.272 0.503 0.245 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 18 . 3987 . 1 1 2 TRP CB C -12.101 1.732 0.710 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 18 . 3988 . 1 1 2 TRP CD1 C -12.820 2.912 -1.526 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 18 . 3989 . 1 1 2 TRP CD2 C -14.494 2.340 -0.176 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 18 . 3990 . 1 1 2 TRP CE2 C -15.010 3.011 -1.313 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 18 . 3991 . 1 1 2 TRP CE3 C -15.363 1.907 0.859 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 18 . 3992 . 1 1 2 TRP CG C -13.118 2.279 -0.299 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 18 . 3993 . 1 1 2 TRP CH2 C -17.237 2.842 -0.382 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 18 . 3994 . 1 1 2 TRP CZ2 C -16.398 3.273 -1.415 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 18 . 3995 . 1 1 2 TRP CZ3 C -16.728 2.169 0.732 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 18 . 3996 . 1 1 2 TRP H H -13.048 -0.813 0.459 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 18 . 3997 . 1 1 2 TRP HA H -10.816 0.782 -0.726 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 18 . 3998 . 1 1 2 TRP HB2 H -12.604 1.496 1.668 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 18 . 3999 . 1 1 2 TRP HB3 H -11.419 2.565 0.965 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 18 . 4000 . 1 1 2 TRP HD1 H -11.822 3.052 -1.915 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 18 . 4001 . 1 1 2 TRP HE1 H -14.053 3.886 -3.058 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 18 . 4002 . 1 1 2 TRP HE3 H -14.984 1.396 1.731 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 18 . 4003 . 1 1 2 TRP HH2 H -18.297 3.045 -0.443 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 18 . 4004 . 1 1 2 TRP HZ2 H -16.802 3.806 -2.262 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 18 . 4005 . 1 1 2 TRP HZ3 H -17.401 1.853 1.517 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 18 . 4006 . 1 1 2 TRP N N -12.130 -0.704 0.014 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 18 . 4007 . 1 1 2 TRP NE1 N -13.984 3.368 -2.175 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 18 . 4008 . 1 1 2 TRP O O -8.963 0.659 0.937 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 18 . 4009 . 1 1 3 ILE C C -8.346 -2.065 2.528 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 18 . 4010 . 1 1 3 ILE CA C -9.249 -1.005 3.219 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 18 . 4011 . 1 1 3 ILE CB C -9.780 -1.441 4.636 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 18 . 4012 . 1 1 3 ILE CD1 C -7.699 -0.663 6.013 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 18 . 4013 . 1 1 3 ILE CG1 C -8.674 -1.802 5.675 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 18 . 4014 . 1 1 3 ILE CG2 C -10.820 -2.593 4.601 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 18 . 4015 . 1 1 3 ILE H H -11.312 -0.745 2.476 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 18 . 4016 . 1 1 3 ILE HA H -8.558 -0.156 3.365 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 18 . 4017 . 1 1 3 ILE HB H -10.317 -0.572 5.060 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 18 . 4018 . 1 1 3 ILE HD11 H -8.232 0.229 6.392 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 18 . 4019 . 1 1 3 ILE HD12 H -6.979 -0.975 6.792 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 18 . 4020 . 1 1 3 ILE HD13 H -7.106 -0.353 5.132 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 18 . 4021 . 1 1 3 ILE HG12 H -9.140 -2.132 6.624 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 18 . 4022 . 1 1 3 ILE HG13 H -8.095 -2.678 5.329 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 18 . 4023 . 1 1 3 ILE HG21 H -10.390 -3.540 4.224 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 18 . 4024 . 1 1 3 ILE HG22 H -11.233 -2.803 5.606 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 18 . 4025 . 1 1 3 ILE HG23 H -11.682 -2.350 3.952 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 18 . 4026 . 1 1 3 ILE N N -10.338 -0.441 2.367 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 18 . 4027 . 1 1 3 ILE O O -7.138 -2.040 2.761 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 18 . 4028 . 1 1 4 GLN C C -7.105 -3.238 -0.156 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 18 . 4029 . 1 1 4 GLN CA C -8.078 -3.901 0.866 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 18 . 4030 . 1 1 4 GLN CB C -9.035 -4.914 0.182 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 18 . 4031 . 1 1 4 GLN CD C -9.551 -7.449 0.286 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 18 . 4032 . 1 1 4 GLN CG C -8.481 -6.359 0.064 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 18 . 4033 . 1 1 4 GLN H H -9.900 -2.853 1.545 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 18 . 4034 . 1 1 4 GLN HA H -7.454 -4.456 1.595 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 18 . 4035 . 1 1 4 GLN HB2 H -9.998 -4.957 0.735 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 18 . 4036 . 1 1 4 GLN HB3 H -9.345 -4.557 -0.821 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 18 . 4037 . 1 1 4 GLN HE21 H -9.358 -8.117 -1.602 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 18 . 4038 . 1 1 4 GLN HE22 H -10.569 -8.970 -0.517 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 18 . 4039 . 1 1 4 GLN HG2 H -7.955 -6.485 -0.902 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 18 . 4040 . 1 1 4 GLN HG3 H -7.697 -6.540 0.826 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 18 . 4041 . 1 1 4 GLN N N -8.889 -2.953 1.677 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 18 . 4042 . 1 1 4 GLN NE2 N -9.867 -8.249 -0.719 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 18 . 4043 . 1 1 4 GLN O O -5.969 -3.699 -0.276 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 18 . 4044 . 1 1 4 GLN OE1 O -10.099 -7.585 1.380 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 18 . 4045 . 1 1 5 . C C -5.545 -0.597 -1.016 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 18 . 4046 . 1 1 5 . CA C -6.749 -1.308 -1.763 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 18 . 4047 . 1 1 5 . CB1 C -6.270 -2.165 -2.978 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 18 . 4048 . 1 1 5 . CB2 C -7.720 -0.193 -2.268 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 18 . 4049 . 1 1 5 . CG1 C -7.278 -2.671 -4.030 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 18 . 4050 . 1 1 5 . H2 H -8.457 -1.823 -0.539 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 18 . 4051 . 1 1 5 . HB11 H -5.522 -1.555 -3.469 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 18 . 4052 . 1 1 5 . HB12 H -5.691 -3.038 -2.635 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 18 . 4053 . 1 1 5 . HB21 H -8.117 0.430 -1.446 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 18 . 4054 . 1 1 5 . HB22 H -7.226 0.501 -2.971 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 18 . 4055 . 1 1 5 . HB23 H -8.608 -0.594 -2.790 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 18 . 4056 . 1 1 5 . HG11 H -7.776 -1.837 -4.558 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 18 . 4057 . 1 1 5 . HG12 H -6.769 -3.273 -4.806 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 18 . 4058 . 1 1 5 . HG13 H -8.061 -3.303 -3.573 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 18 . 4059 . 1 1 5 . N N -7.553 -2.165 -0.852 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 18 . 4060 . 1 1 5 . O O -4.382 -0.743 -1.410 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 18 . 4061 . 1 1 6 ILE C C -3.855 -0.304 1.691 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 18 . 4062 . 1 1 6 ILE CA C -4.758 0.761 0.956 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 18 . 4063 . 1 1 6 ILE CB C -5.424 1.833 1.899 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 18 . 4064 . 1 1 6 ILE CD1 C -7.285 3.658 1.913 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 18 . 4065 . 1 1 6 ILE CG1 C -6.129 3.004 1.134 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 18 . 4066 . 1 1 6 ILE CG2 C -4.451 2.474 2.926 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 18 . 4067 . 1 1 6 ILE H H -6.809 0.209 0.326 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 18 . 4068 . 1 1 6 ILE HA H -4.072 1.311 0.283 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 18 . 4069 . 1 1 6 ILE HB H -6.192 1.296 2.490 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 18 . 4070 . 1 1 6 ILE HD11 H -6.955 4.071 2.882 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 18 . 4071 . 1 1 6 ILE HD12 H -7.733 4.489 1.341 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 18 . 4072 . 1 1 6 ILE HD13 H -8.089 2.931 2.122 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 18 . 4073 . 1 1 6 ILE HG12 H -5.392 3.777 0.842 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 18 . 4074 . 1 1 6 ILE HG13 H -6.544 2.659 0.170 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 18 . 4075 . 1 1 6 ILE HG21 H -3.596 2.965 2.426 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 18 . 4076 . 1 1 6 ILE HG22 H -4.947 3.240 3.550 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 18 . 4077 . 1 1 6 ILE HG23 H -4.042 1.729 3.633 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 18 . 4078 . 1 1 6 ILE N N -5.813 0.148 0.085 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 18 . 4079 . 1 1 6 ILE O O -2.703 0.015 1.997 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 18 . 4080 . 1 1 7 THR C C -2.553 -3.276 1.347 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 18 . 4081 . 1 1 7 THR CA C -3.511 -2.687 2.421 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 18 . 4082 . 1 1 7 THR CB C -4.400 -3.747 3.136 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 18 . 4083 . 1 1 7 THR CG2 C -3.659 -4.979 3.688 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 18 . 4084 . 1 1 7 THR H H -5.295 -1.695 1.593 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 18 . 4085 . 1 1 7 THR HA H -2.846 -2.286 3.198 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 18 . 4086 . 1 1 7 THR HB H -5.169 -4.107 2.430 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 18 . 4087 . 1 1 7 THR HG1 H -5.503 -2.368 3.903 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 18 . 4088 . 1 1 7 THR HG21 H -4.343 -5.625 4.268 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 18 . 4089 . 1 1 7 THR HG22 H -3.241 -5.601 2.874 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 18 . 4090 . 1 1 7 THR HG23 H -2.821 -4.701 4.354 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 18 . 4091 . 1 1 7 THR N N -4.337 -1.547 1.935 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 18 . 4092 . 1 1 7 THR O O -1.392 -3.483 1.691 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 18 . 4093 . 1 1 7 THR OG1 O -5.057 -3.143 4.249 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 18 . 4094 . 1 1 8 ABA C C -0.888 -2.811 -1.287 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 18 . 4095 . 1 1 8 ABA CA C -2.043 -3.868 -1.053 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 18 . 4096 . 1 1 8 ABA N N -2.975 -3.528 0.087 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 18 . 4097 . 1 1 8 ABA O O 0.273 -3.154 -1.536 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 18 . 4098 . 1 1 9 LEU C C 0.544 -0.052 0.015 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 18 . 4099 . 1 1 9 LEU CA C -0.262 -0.379 -1.289 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 18 . 4100 . 1 1 9 LEU CB C -1.056 0.839 -1.842 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 18 . 4101 . 1 1 9 LEU CD1 C -2.687 1.561 -3.710 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 18 . 4102 . 1 1 9 LEU CD2 C -0.234 1.205 -4.248 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 18 . 4103 . 1 1 9 LEU CG C -1.415 0.764 -3.360 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 18 . 4104 . 1 1 9 LEU H H -2.206 -1.346 -0.939 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 18 . 4105 . 1 1 9 LEU HA H 0.504 -0.616 -2.050 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 18 . 4106 . 1 1 9 LEU HB2 H -1.971 0.973 -1.234 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 18 . 4107 . 1 1 9 LEU HB3 H -0.482 1.763 -1.657 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 18 . 4108 . 1 1 9 LEU HD11 H -2.595 2.632 -3.452 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 18 . 4109 . 1 1 9 LEU HD12 H -2.924 1.501 -4.789 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 18 . 4110 . 1 1 9 LEU HD13 H -3.574 1.169 -3.177 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 18 . 4111 . 1 1 9 LEU HD21 H 0.678 0.611 -4.049 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 18 . 4112 . 1 1 9 LEU HD22 H -0.459 1.086 -5.326 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 18 . 4113 . 1 1 9 LEU HD23 H 0.027 2.268 -4.079 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 18 . 4114 . 1 1 9 LEU HG H -1.647 -0.284 -3.620 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 18 . 4115 . 1 1 9 LEU N N -1.225 -1.510 -1.193 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 18 . 4116 . 1 1 9 LEU O O 1.536 0.675 -0.095 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 18 . 4117 . 1 1 10 ABA C C 2.415 -1.051 2.383 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 18 . 4118 . 1 1 10 ABA CA C 0.947 -0.447 2.494 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 18 . 4119 . 1 1 10 ABA N N 0.173 -0.579 1.215 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 18 . 4120 . 1 1 10 ABA O O 3.353 -0.293 2.644 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 18 . 4121 . 1 1 11 HYP C C 4.730 -2.096 0.272 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 18 . 4122 . 1 1 11 HYP CA C 4.094 -2.750 1.549 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 18 . 4123 . 1 1 11 HYP CB C 3.950 -4.280 1.407 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 18 . 4124 . 1 1 11 HYP CD C 1.745 -3.410 1.775 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 18 . 4125 . 1 1 11 HYP CG C 2.493 -4.506 1.015 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 18 . 4126 . 1 1 11 HYP HA H 4.784 -2.557 2.393 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 18 . 4127 . 1 1 11 HYP HB2 H 4.651 -4.725 0.677 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 18 . 4128 . 1 1 11 HYP HB3 H 4.160 -4.775 2.373 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 18 . 4129 . 1 1 11 HYP HD1 H 1.359 -5.651 2.068 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 18 . 4130 . 1 1 11 HYP HD22 H 0.872 -3.095 1.189 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 18 . 4131 . 1 1 11 HYP HD23 H 1.409 -3.775 2.766 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 18 . 4132 . 1 1 11 HYP HG H 2.371 -4.366 -0.078 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 18 . 4133 . 1 1 11 HYP N N 2.721 -2.322 1.948 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 18 . 4134 . 1 1 11 HYP O O 5.932 -2.293 0.067 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 18 . 4135 . 1 1 11 HYP OD1 O 2.029 -5.794 1.396 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 18 . 4136 . 1 1 12 GLN C C 4.880 1.067 -1.134 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 18 . 4137 . 1 1 12 GLN CA C 4.582 -0.404 -1.566 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 18 . 4138 . 1 1 12 GLN CB C 3.688 -0.420 -2.837 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 18 . 4139 . 1 1 12 GLN CD C 2.687 -1.756 -4.797 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 18 . 4140 . 1 1 12 GLN CG C 3.362 -1.812 -3.415 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 18 . 4141 . 1 1 12 GLN H H 3.045 -1.077 -0.195 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 18 . 4142 . 1 1 12 GLN HA H 5.573 -0.804 -1.830 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 18 . 4143 . 1 1 12 GLN HB2 H 2.739 0.116 -2.641 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 18 . 4144 . 1 1 12 GLN HB3 H 4.194 0.177 -3.613 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 18 . 4145 . 1 1 12 GLN HE21 H 1.085 -2.733 -4.102 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 18 . 4146 . 1 1 12 GLN HE22 H 1.084 -2.233 -5.875 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 18 . 4147 . 1 1 12 GLN HG2 H 4.292 -2.407 -3.480 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 18 . 4148 . 1 1 12 GLN HG3 H 2.724 -2.338 -2.671 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 18 . 4149 . 1 1 12 GLN N N 3.992 -1.281 -0.515 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 18 . 4150 . 1 1 12 GLN NE2 N 1.490 -2.286 -4.932 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 18 . 4151 . 1 1 12 GLN O O 5.206 1.867 -2.011 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 18 . 4152 . 1 1 12 GLN OE1 O 3.235 -1.224 -5.765 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 18 . 4153 . 1 1 13 ABA C C 7.132 1.930 1.076 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 18 . 4154 . 1 1 13 ABA CA C 5.649 2.486 0.825 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 18 . 4155 . 1 1 13 ABA N N 4.835 1.407 0.175 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 18 . 4156 . 1 1 13 ABA O O 8.072 2.460 0.459 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 18 . 4157 . 1 1 14 HYP C C 9.547 -0.288 0.852 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 18 . 4158 . 1 1 14 HYP CA C 8.823 0.346 2.076 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 18 . 4159 . 1 1 14 HYP CB C 8.712 -0.648 3.249 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 18 . 4160 . 1 1 14 HYP CD C 6.459 0.059 2.624 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 18 . 4161 . 1 1 14 HYP CG C 7.229 -0.972 3.448 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 18 . 4162 . 1 1 14 HYP HA H 9.445 1.192 2.429 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 18 . 4163 . 1 1 14 HYP HB2 H 9.280 -1.583 3.072 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 18 . 4164 . 1 1 14 HYP HB3 H 9.141 -0.199 4.165 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 18 . 4165 . 1 1 14 HYP HD1 H 7.102 0.004 5.097 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 18 . 4166 . 1 1 14 HYP HD22 H 5.788 -0.446 1.923 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 18 . 4167 . 1 1 14 HYP HD23 H 5.834 0.679 3.267 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 18 . 4168 . 1 1 14 HYP HG H 7.004 -1.993 3.085 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 18 . 4169 . 1 1 14 HYP N N 7.442 0.859 1.885 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 18 . 4170 . 1 1 14 HYP O O 10.758 -0.086 0.745 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 18 . 4171 . 1 1 14 HYP OD1 O 6.881 -0.890 4.826 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 18 . 4172 . 1 1 15 ABA C C 10.204 -0.662 -2.212 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 18 . 4173 . 1 1 15 ABA CA C 9.507 -1.705 -1.235 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 18 . 4174 . 1 1 15 ABA N N 8.869 -1.061 -0.039 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 18 . 4175 . 1 1 15 ABA O O 11.387 -0.863 -2.519 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 18 . 4176 . 1 1 16 PRO C C 11.284 2.436 -2.277 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 18 . 4177 . 1 1 16 PRO CA C 10.386 1.616 -3.248 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 18 . 4178 . 1 1 16 PRO CB C 9.314 2.466 -3.955 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 18 . 4179 . 1 1 16 PRO CD C 8.184 0.828 -2.511 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 18 . 4180 . 1 1 16 PRO CG C 8.001 2.171 -3.229 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 18 . 4181 . 1 1 16 PRO HA H 11.072 1.213 -3.999 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 18 . 4182 . 1 1 16 PRO HB2 H 9.543 3.548 -3.966 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 18 . 4183 . 1 1 16 PRO HB3 H 9.229 2.163 -5.016 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 18 . 4184 . 1 1 16 PRO HD2 H 7.921 0.942 -1.449 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 18 . 4185 . 1 1 16 PRO HD3 H 7.516 0.048 -2.898 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 18 . 4186 . 1 1 16 PRO HG2 H 7.799 2.968 -2.490 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 18 . 4187 . 1 1 16 PRO HG3 H 7.142 2.159 -3.924 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 18 . 4188 . 1 1 16 PRO N N 9.608 0.485 -2.676 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 18 . 4189 . 1 1 16 PRO O O 12.285 2.989 -2.743 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 18 . 4190 . 1 1 17 PHL C C 12.081 2.791 1.234 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 18 . 4191 . 1 1 17 PHL CA C 11.596 3.492 -0.051 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 18 . 4192 . 1 1 17 PHL CB C 10.627 4.663 0.270 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 18 . 4193 . 1 1 17 PHL CD1 C 11.164 6.249 -1.662 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 18 . 4194 . 1 1 17 PHL CD2 C 8.871 5.558 -1.357 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 18 . 4195 . 1 1 17 PHL CE1 C 10.796 6.959 -2.800 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 18 . 4196 . 1 1 17 PHL CE2 C 8.502 6.275 -2.495 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 18 . 4197 . 1 1 17 PHL CG C 10.204 5.538 -0.934 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 18 . 4198 . 1 1 17 PHL CZ C 9.467 6.980 -3.212 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 18 . 4199 . 1 1 17 PHL H2 H 10.043 2.058 -0.758 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 18 . 4200 . 1 1 17 PHL HA H 12.500 3.937 -0.510 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 18 . 4201 . 1 1 17 PHL HB2 H 9.741 4.232 0.773 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 18 . 4202 . 1 1 17 PHL HB3 H 11.099 5.319 1.025 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 18 . 4203 . 1 1 17 PHL HC1 H 11.233 2.424 1.839 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 18 . 4204 . 1 1 17 PHL HC2 H 12.617 3.517 1.875 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 18 . 4205 . 1 1 17 PHL HD1 H 12.208 6.206 -1.380 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 18 . 4206 . 1 1 17 PHL HD2 H 8.126 4.985 -0.831 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 18 . 4207 . 1 1 17 PHL HE1 H 11.552 7.481 -3.370 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 18 . 4208 . 1 1 17 PHL HE2 H 7.473 6.275 -2.820 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 18 . 4209 . 1 1 17 PHL HO H 13.584 1.665 1.673 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 18 . 4210 . 1 1 17 PHL HZ H 9.184 7.531 -4.098 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 18 . 4211 . 1 1 17 PHL N N 10.928 2.543 -0.982 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 18 . 4212 . 1 1 17 PHL O O 12.966 1.714 0.940 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
. 19 . 4213 . 1 1 1 ACE C C -11.426 -1.852 -1.323 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 19 . 4214 . 1 1 1 ACE CH3 C -12.280 -3.106 -1.510 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 19 . 4215 . 1 1 1 ACE H1 H -13.323 -2.858 -1.785 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 19 . 4216 . 1 1 1 ACE H2 H -11.873 -3.748 -2.311 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 19 . 4217 . 1 1 1 ACE H3 H -12.305 -3.714 -0.586 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 19 . 4218 . 1 1 1 ACE O O -10.334 -1.759 -1.881 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 19 . 4219 . 1 1 2 TRP C C -10.130 0.133 0.966 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 19 . 4220 . 1 1 2 TRP CA C -11.223 0.336 -0.117 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 19 . 4221 . 1 1 2 TRP CB C -12.180 1.510 0.271 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 19 . 4222 . 1 1 2 TRP CD1 C -13.814 0.774 2.210 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 19 . 4223 . 1 1 2 TRP CD2 C -14.778 1.177 0.248 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 19 . 4224 . 1 1 2 TRP CE2 C -15.748 0.713 1.169 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 19 . 4225 . 1 1 2 TRP CE3 C -15.148 1.483 -1.090 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 19 . 4226 . 1 1 2 TRP CG C -13.555 1.201 0.892 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 19 . 4227 . 1 1 2 TRP CH2 C -17.438 0.850 -0.558 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 19 . 4228 . 1 1 2 TRP CZ2 C -17.093 0.539 0.758 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 19 . 4229 . 1 1 2 TRP CZ3 C -16.479 1.318 -1.468 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 19 . 4230 . 1 1 2 TRP H H -12.847 -1.168 -0.104 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 19 . 4231 . 1 1 2 TRP HA H -10.680 0.699 -1.014 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 19 . 4232 . 1 1 2 TRP HB2 H -11.662 2.253 0.905 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 19 . 4233 . 1 1 2 TRP HB3 H -12.356 2.066 -0.655 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 19 . 4234 . 1 1 2 TRP HD1 H -13.060 0.652 2.970 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 19 . 4235 . 1 1 2 TRP HE1 H -15.605 0.047 3.228 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 19 . 4236 . 1 1 2 TRP HE3 H -14.422 1.843 -1.806 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 19 . 4237 . 1 1 2 TRP HH2 H -18.460 0.726 -0.884 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 19 . 4238 . 1 1 2 TRP HZ2 H -17.836 0.165 1.448 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 19 . 4239 . 1 1 2 TRP HZ3 H -16.776 1.555 -2.479 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 19 . 4240 . 1 1 2 TRP N N -11.941 -0.920 -0.512 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 19 . 4241 . 1 1 2 TRP NE1 N -15.169 0.455 2.399 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 19 . 4242 . 1 1 2 TRP O O -8.984 0.542 0.769 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 19 . 4243 . 1 1 3 ILE C C -8.489 -2.039 2.573 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 19 . 4244 . 1 1 3 ILE CA C -9.484 -0.955 3.119 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 19 . 4245 . 1 1 3 ILE CB C -10.188 -1.352 4.473 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 19 . 4246 . 1 1 3 ILE CD1 C -12.419 -0.819 5.686 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 19 . 4247 . 1 1 3 ILE CG1 C -11.116 -0.253 5.094 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 19 . 4248 . 1 1 3 ILE CG2 C -9.203 -1.806 5.581 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 19 . 4249 . 1 1 3 ILE H H -11.494 -0.634 2.161 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 19 . 4250 . 1 1 3 ILE HA H -8.836 -0.079 3.305 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 19 . 4251 . 1 1 3 ILE HB H -10.810 -2.236 4.233 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 19 . 4252 . 1 1 3 ILE HD11 H -12.222 -1.553 6.489 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 19 . 4253 . 1 1 3 ILE HD12 H -13.048 -0.020 6.117 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 19 . 4254 . 1 1 3 ILE HD13 H -13.025 -1.329 4.913 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 19 . 4255 . 1 1 3 ILE HG12 H -10.588 0.333 5.872 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 19 . 4256 . 1 1 3 ILE HG13 H -11.389 0.513 4.348 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 19 . 4257 . 1 1 3 ILE HG21 H -8.481 -1.006 5.833 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 19 . 4258 . 1 1 3 ILE HG22 H -9.728 -2.079 6.512 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 19 . 4259 . 1 1 3 ILE HG23 H -8.620 -2.695 5.281 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 19 . 4260 . 1 1 3 ILE N N -10.478 -0.509 2.092 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 19 . 4261 . 1 1 3 ILE O O -7.294 -1.926 2.850 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 19 . 4262 . 1 1 4 GLN C C -7.081 -3.208 -0.006 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 19 . 4263 . 1 1 4 GLN CA C -8.064 -3.915 0.979 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 19 . 4264 . 1 1 4 GLN CB C -8.914 -4.979 0.238 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 19 . 4265 . 1 1 4 GLN CD C -10.452 -7.054 0.444 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 19 . 4266 . 1 1 4 GLN CG C -9.543 -6.049 1.170 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 19 . 4267 . 1 1 4 GLN H H -9.955 -2.952 1.572 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 19 . 4268 . 1 1 4 GLN HA H -7.423 -4.456 1.703 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 19 . 4269 . 1 1 4 GLN HB2 H -9.698 -4.487 -0.369 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 19 . 4270 . 1 1 4 GLN HB3 H -8.278 -5.515 -0.493 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 19 . 4271 . 1 1 4 GLN HE21 H -9.185 -8.560 0.842 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 19 . 4272 . 1 1 4 GLN HE22 H -10.743 -8.978 -0.034 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 19 . 4273 . 1 1 4 GLN HG2 H -8.736 -6.570 1.726 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 19 . 4274 . 1 1 4 GLN HG3 H -10.151 -5.558 1.954 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 19 . 4275 . 1 1 4 GLN N N -8.952 -3.020 1.773 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 19 . 4276 . 1 1 4 GLN NE2 N -10.079 -8.324 0.396 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 19 . 4277 . 1 1 4 GLN O O -5.927 -3.632 -0.072 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 19 . 4278 . 1 1 4 GLN OE1 O -11.517 -6.700 -0.061 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 19 . 4279 . 1 1 5 . C C -5.449 -0.619 -0.786 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 19 . 4280 . 1 1 5 . CA C -6.634 -1.293 -1.601 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 19 . 4281 . 1 1 5 . CB1 C -6.117 -2.177 -2.787 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 19 . 4282 . 1 1 5 . CB2 C -7.484 -0.131 -2.201 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 19 . 4283 . 1 1 5 . CG1 C -7.081 -2.692 -3.878 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 19 . 4284 . 1 1 5 . H2 H -8.463 -1.860 -0.537 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 19 . 4285 . 1 1 5 . HB11 H -5.349 -1.583 -3.269 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 19 . 4286 . 1 1 5 . HB12 H -5.565 -3.054 -2.407 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 19 . 4287 . 1 1 5 . HB21 H -7.918 0.527 -1.429 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 19 . 4288 . 1 1 5 . HB22 H -6.878 0.520 -2.863 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 19 . 4289 . 1 1 5 . HB23 H -8.335 -0.488 -2.808 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 19 . 4290 . 1 1 5 . HG11 H -7.549 -1.866 -4.443 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 19 . 4291 . 1 1 5 . HG12 H -6.539 -3.311 -4.615 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 19 . 4292 . 1 1 5 . HG13 H -7.892 -3.313 -3.456 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 19 . 4293 . 1 1 5 . N N -7.506 -2.144 -0.734 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 19 . 4294 . 1 1 5 . O O -4.275 -0.762 -1.148 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 19 . 4295 . 1 1 6 ILE C C -3.812 -0.472 1.962 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 19 . 4296 . 1 1 6 ILE CA C -4.707 0.629 1.277 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 19 . 4297 . 1 1 6 ILE CB C -5.376 1.633 2.300 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 19 . 4298 . 1 1 6 ILE CD1 C -5.335 3.795 0.777 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 19 . 4299 . 1 1 6 ILE CG1 C -6.151 2.823 1.651 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 19 . 4300 . 1 1 6 ILE CG2 C -4.425 2.205 3.387 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 19 . 4301 . 1 1 6 ILE H H -6.742 0.114 0.573 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 19 . 4302 . 1 1 6 ILE HA H -4.008 1.229 0.661 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 19 . 4303 . 1 1 6 ILE HB H -6.132 1.050 2.861 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 19 . 4304 . 1 1 6 ILE HD11 H -4.862 3.282 -0.080 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 19 . 4305 . 1 1 6 ILE HD12 H -5.977 4.593 0.364 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 19 . 4306 . 1 1 6 ILE HD13 H -4.533 4.293 1.352 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 19 . 4307 . 1 1 6 ILE HG12 H -6.987 2.432 1.044 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 19 . 4308 . 1 1 6 ILE HG13 H -6.652 3.411 2.444 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 19 . 4309 . 1 1 6 ILE HG21 H -3.551 2.723 2.949 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 19 . 4310 . 1 1 6 ILE HG22 H -4.940 2.933 4.046 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 19 . 4311 . 1 1 6 ILE HG23 H -4.038 1.413 4.053 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 19 . 4312 . 1 1 6 ILE N N -5.744 0.084 0.340 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 19 . 4313 . 1 1 6 ILE O O -2.661 -0.173 2.292 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 19 . 4314 . 1 1 7 THR C C -2.488 -3.418 1.581 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 19 . 4315 . 1 1 7 THR CA C -3.495 -2.869 2.634 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 19 . 4316 . 1 1 7 THR CB C -4.433 -3.950 3.250 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 19 . 4317 . 1 1 7 THR CG2 C -3.722 -5.163 3.878 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 19 . 4318 . 1 1 7 THR H H -5.256 -1.847 1.802 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 19 . 4319 . 1 1 7 THR HA H -2.879 -2.493 3.465 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 19 . 4320 . 1 1 7 THR HB H -5.116 -4.323 2.463 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 19 . 4321 . 1 1 7 THR HG1 H -5.109 -2.418 4.191 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 19 . 4322 . 1 1 7 THR HG21 H -4.449 -5.834 4.373 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 19 . 4323 . 1 1 7 THR HG22 H -3.189 -5.767 3.122 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 19 . 4324 . 1 1 7 THR HG23 H -2.984 -4.856 4.642 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 19 . 4325 . 1 1 7 THR N N -4.302 -1.716 2.149 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 19 . 4326 . 1 1 7 THR O O -1.328 -3.589 1.950 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 19 . 4327 . 1 1 7 THR OG1 O -5.217 -3.368 4.289 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 19 . 4328 . 1 1 8 ABA C C -0.819 -2.812 -1.035 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 19 . 4329 . 1 1 8 ABA CA C -1.920 -3.934 -0.825 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 19 . 4330 . 1 1 8 ABA N N -2.882 -3.663 0.307 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 19 . 4331 . 1 1 8 ABA O O 0.352 -3.097 -1.311 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 19 . 4332 . 1 1 9 LEU C C 0.562 -0.110 0.335 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 19 . 4333 . 1 1 9 LEU CA C -0.317 -0.357 -0.938 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 19 . 4334 . 1 1 9 LEU CB C -1.188 0.876 -1.315 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 19 . 4335 . 1 1 9 LEU CD1 C -2.885 1.884 -2.975 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 19 . 4336 . 1 1 9 LEU CD2 C -0.549 1.332 -3.761 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 19 . 4337 . 1 1 9 LEU CG C -1.683 0.934 -2.793 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 19 . 4338 . 1 1 9 LEU H H -2.201 -1.435 -0.601 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 19 . 4339 . 1 1 9 LEU HA H 0.399 -0.500 -1.766 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 19 . 4340 . 1 1 9 LEU HB2 H -2.051 0.924 -0.624 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 19 . 4341 . 1 1 9 LEU HB3 H -0.623 1.802 -1.102 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 19 . 4342 . 1 1 9 LEU HD11 H -2.641 2.926 -2.693 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 19 . 4343 . 1 1 9 LEU HD12 H -3.235 1.900 -4.025 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 19 . 4344 . 1 1 9 LEU HD13 H -3.752 1.572 -2.362 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 19 . 4345 . 1 1 9 LEU HD21 H 0.313 0.644 -3.697 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 19 . 4346 . 1 1 9 LEU HD22 H -0.882 1.321 -4.817 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 19 . 4347 . 1 1 9 LEU HD23 H -0.164 2.347 -3.545 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 19 . 4348 . 1 1 9 LEU HG H -2.040 -0.068 -3.089 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 19 . 4349 . 1 1 9 LEU N N -1.221 -1.536 -0.890 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 19 . 4350 . 1 1 9 LEU O O 1.541 0.631 0.213 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 19 . 4351 . 1 1 10 ABA C C 2.573 -1.223 2.519 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 19 . 4352 . 1 1 10 ABA CA C 1.106 -0.649 2.764 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 19 . 4353 . 1 1 10 ABA N N 0.261 -0.711 1.522 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 19 . 4354 . 1 1 10 ABA O O 3.517 -0.463 2.752 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 19 . 4355 . 1 1 11 HYP C C 4.755 -2.103 0.201 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 19 . 4356 . 1 1 11 HYP CA C 4.209 -2.841 1.472 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 19 . 4357 . 1 1 11 HYP CB C 4.087 -4.364 1.260 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 19 . 4358 . 1 1 11 HYP CD C 1.902 -3.571 1.880 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 19 . 4359 . 1 1 11 HYP CG C 2.601 -4.626 1.021 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 19 . 4360 . 1 1 11 HYP HA H 4.950 -2.680 2.275 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 19 . 4361 . 1 1 11 HYP HB2 H 4.713 -4.750 0.433 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 19 . 4362 . 1 1 11 HYP HB3 H 4.422 -4.898 2.168 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 19 . 4363 . 1 1 11 HYP HD1 H 1.261 -5.920 1.496 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 19 . 4364 . 1 1 11 HYP HD22 H 0.964 -3.268 1.398 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 19 . 4365 . 1 1 11 HYP HD23 H 1.678 -3.972 2.889 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 19 . 4366 . 1 1 11 HYP HG H 2.356 -4.476 -0.049 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 19 . 4367 . 1 1 11 HYP N N 2.861 -2.462 1.990 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 19 . 4368 . 1 1 11 HYP O O 5.939 -2.289 -0.106 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 19 . 4369 . 1 1 11 HYP OD1 O 2.219 -5.933 1.427 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 19 . 4370 . 1 1 12 GLN C C 4.801 1.156 -0.996 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 19 . 4371 . 1 1 12 GLN CA C 4.499 -0.289 -1.504 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 19 . 4372 . 1 1 12 GLN CB C 3.538 -0.243 -2.725 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 19 . 4373 . 1 1 12 GLN CD C 2.441 -1.464 -4.702 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 19 . 4374 . 1 1 12 GLN CG C 3.203 -1.602 -3.370 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 19 . 4375 . 1 1 12 GLN H H 3.044 -1.058 -0.097 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 19 . 4376 . 1 1 12 GLN HA H 5.478 -0.659 -1.847 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 19 . 4377 . 1 1 12 GLN HB2 H 2.596 0.268 -2.450 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 19 . 4378 . 1 1 12 GLN HB3 H 3.996 0.404 -3.491 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 19 . 4379 . 1 1 12 GLN HE21 H 0.885 -2.499 -3.967 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 19 . 4380 . 1 1 12 GLN HE22 H 0.791 -1.920 -5.715 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 19 . 4381 . 1 1 12 GLN HG2 H 4.138 -2.172 -3.529 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 19 . 4382 . 1 1 12 GLN HG3 H 2.623 -2.188 -2.622 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 19 . 4383 . 1 1 12 GLN N N 3.974 -1.233 -0.478 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 19 . 4384 . 1 1 12 GLN NE2 N 1.245 -2.014 -4.801 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 19 . 4385 . 1 1 12 GLN O O 5.033 2.026 -1.836 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 19 . 4386 . 1 1 12 GLN OE1 O 2.928 -0.873 -5.668 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 19 . 4387 . 1 1 13 ABA C C 7.215 1.883 1.107 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 19 . 4388 . 1 1 13 ABA CA C 5.718 2.447 0.995 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 19 . 4389 . 1 1 13 ABA N N 4.865 1.407 0.335 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 19 . 4390 . 1 1 13 ABA O O 8.110 2.454 0.468 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 19 . 4391 . 1 1 14 HYP C C 9.602 -0.329 0.571 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 19 . 4392 . 1 1 14 HYP CA C 8.962 0.230 1.877 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 19 . 4393 . 1 1 14 HYP CB C 8.928 -0.835 2.993 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 19 . 4394 . 1 1 14 HYP CD C 6.647 -0.086 2.576 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 19 . 4395 . 1 1 14 HYP CG C 7.463 -1.175 3.268 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 19 . 4396 . 1 1 14 HYP HA H 9.614 1.052 2.235 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 19 . 4397 . 1 1 14 HYP HB2 H 9.486 -1.750 2.720 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 19 . 4398 . 1 1 14 HYP HB3 H 9.415 -0.440 3.907 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 19 . 4399 . 1 1 14 HYP HD1 H 7.451 -0.322 4.987 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 19 . 4400 . 1 1 14 HYP HD22 H 5.909 -0.535 1.903 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 19 . 4401 . 1 1 14 HYP HD23 H 6.084 0.497 3.306 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 19 . 4402 . 1 1 14 HYP HG H 7.214 -2.165 2.844 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 19 . 4403 . 1 1 14 HYP N N 7.575 0.757 1.815 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 19 . 4404 . 1 1 14 HYP O O 10.805 -0.115 0.405 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 19 . 4405 . 1 1 14 HYP OD1 O 7.203 -1.193 4.666 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 19 . 4406 . 1 1 15 ABA C C 10.024 -0.496 -2.555 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 19 . 4407 . 1 1 15 ABA CA C 9.413 -1.610 -1.597 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 19 . 4408 . 1 1 15 ABA N N 8.864 -1.052 -0.317 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 19 . 4409 . 1 1 15 ABA O O 11.166 -0.680 -2.998 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 19 . 4410 . 1 1 16 PRO C C 11.111 2.609 -2.480 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 19 . 4411 . 1 1 16 PRO CA C 10.132 1.857 -3.421 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 19 . 4412 . 1 1 16 PRO CB C 9.013 2.759 -3.972 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 19 . 4413 . 1 1 16 PRO CD C 7.994 1.010 -2.577 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 19 . 4414 . 1 1 16 PRO CG C 7.770 2.415 -3.154 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 19 . 4415 . 1 1 16 PRO HA H 10.749 1.510 -4.252 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 19 . 4416 . 1 1 16 PRO HB2 H 9.250 3.839 -3.921 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 19 . 4417 . 1 1 16 PRO HB3 H 8.834 2.535 -5.040 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 19 . 4418 . 1 1 16 PRO HD2 H 7.792 1.018 -1.496 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 19 . 4419 . 1 1 16 PRO HD3 H 7.310 0.259 -2.996 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 19 . 4420 . 1 1 16 PRO HG2 H 7.657 3.143 -2.331 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 19 . 4421 . 1 1 16 PRO HG3 H 6.852 2.483 -3.766 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 19 . 4422 . 1 1 16 PRO N N 9.401 0.690 -2.866 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 19 . 4423 . 1 1 16 PRO O O 12.056 3.216 -2.993 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 19 . 4424 . 1 1 17 PHL C C 12.202 2.695 0.953 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 19 . 4425 . 1 1 17 PHL CA C 11.620 3.504 -0.224 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 19 . 4426 . 1 1 17 PHL CB C 10.684 4.646 0.247 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 19 . 4427 . 1 1 17 PHL CD1 C 11.011 6.320 -1.664 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 19 . 4428 . 1 1 17 PHL CD2 C 8.762 5.662 -1.086 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 19 . 4429 . 1 1 17 PHL CE1 C 10.514 7.119 -2.691 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 19 . 4430 . 1 1 17 PHL CE2 C 8.265 6.464 -2.112 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 19 . 4431 . 1 1 17 PHL CG C 10.139 5.586 -0.854 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 19 . 4432 . 1 1 17 PHL CZ C 9.139 7.195 -2.909 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 19 . 4433 . 1 1 17 PHL H2 H 10.013 2.120 -0.882 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 19 . 4434 . 1 1 17 PHL HA H 12.488 3.970 -0.730 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 19 . 4435 . 1 1 17 PHL HB2 H 9.849 4.187 0.812 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 19 . 4436 . 1 1 17 PHL HB3 H 11.225 5.268 0.984 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 19 . 4437 . 1 1 17 PHL HC1 H 12.749 1.805 0.586 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 19 . 4438 . 1 1 17 PHL HC2 H 11.401 2.319 1.617 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 19 . 4439 . 1 1 17 PHL HD1 H 12.081 6.242 -1.524 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 19 . 4440 . 1 1 17 PHL HD2 H 8.077 5.084 -0.488 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 19 . 4441 . 1 1 17 PHL HE1 H 11.193 7.670 -3.325 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 19 . 4442 . 1 1 17 PHL HE2 H 7.200 6.508 -2.291 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 19 . 4443 . 1 1 17 PHL HO H 13.770 3.799 1.090 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 19 . 4444 . 1 1 17 PHL HZ H 8.754 7.820 -3.700 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 19 . 4445 . 1 1 17 PHL N N 10.881 2.609 -1.152 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 19 . 4446 . 1 1 17 PHL O O 13.102 3.494 1.711 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
. 20 . 4447 . 1 1 1 ACE C C -11.662 -1.913 -0.948 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ih9 1
. 20 . 4448 . 1 1 1 ACE CH3 C -12.528 -3.168 -0.935 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ih9 1
. 20 . 4449 . 1 1 1 ACE H1 H -13.601 -2.931 -1.065 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ih9 1
. 20 . 4450 . 1 1 1 ACE H2 H -12.241 -3.855 -1.751 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ih9 1
. 20 . 4451 . 1 1 1 ACE H3 H -12.410 -3.721 0.016 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ih9 1
. 20 . 4452 . 1 1 1 ACE O O -10.629 -1.873 -1.619 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ih9 1
. 20 . 4453 . 1 1 2 TRP C C -10.183 0.239 1.080 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1ih9 1
. 20 . 4454 . 1 1 2 TRP CA C -11.327 0.358 0.018 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1ih9 1
. 20 . 4455 . 1 1 2 TRP CB C -12.319 1.519 0.317 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1ih9 1
. 20 . 4456 . 1 1 2 TRP CD1 C -12.136 3.413 -1.476 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1ih9 1
. 20 . 4457 . 1 1 2 TRP CD2 C -11.110 3.864 0.448 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1ih9 1
. 20 . 4458 . 1 1 2 TRP CE2 C -10.963 4.960 -0.443 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1ih9 1
. 20 . 4459 . 1 1 2 TRP CE3 C -10.550 3.920 1.750 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1ih9 1
. 20 . 4460 . 1 1 2 TRP CG C -11.851 2.888 -0.194 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1ih9 1
. 20 . 4461 . 1 1 2 TRP CH2 C -9.720 6.157 1.252 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1ih9 1
. 20 . 4462 . 1 1 2 TRP CZ2 C -10.262 6.120 -0.033 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1ih9 1
. 20 . 4463 . 1 1 2 TRP CZ3 C -9.860 5.072 2.130 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1ih9 1
. 20 . 4464 . 1 1 2 TRP H H -12.962 -1.099 0.337 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1ih9 1
. 20 . 4465 . 1 1 2 TRP HA H -10.840 0.589 -0.952 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1ih9 1
. 20 . 4466 . 1 1 2 TRP HB2 H -13.306 1.325 -0.147 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1ih9 1
. 20 . 4467 . 1 1 2 TRP HB3 H -12.544 1.566 1.399 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1ih9 1
. 20 . 4468 . 1 1 2 TRP HD1 H -12.705 2.895 -2.234 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1ih9 1
. 20 . 4469 . 1 1 2 TRP HE1 H -11.683 5.316 -2.463 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1ih9 1
. 20 . 4470 . 1 1 2 TRP HE3 H -10.657 3.096 2.442 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1ih9 1
. 20 . 4471 . 1 1 2 TRP HH2 H -9.192 7.039 1.579 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1ih9 1
. 20 . 4472 . 1 1 2 TRP HZ2 H -10.154 6.967 -0.696 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1ih9 1
. 20 . 4473 . 1 1 2 TRP HZ3 H -9.435 5.137 3.120 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1ih9 1
. 20 . 4474 . 1 1 2 TRP N N -12.096 -0.906 -0.178 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1ih9 1
. 20 . 4475 . 1 1 2 TRP NE1 N -11.597 4.699 -1.647 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1ih9 1
. 20 . 4476 . 1 1 2 TRP O O -9.072 0.722 0.835 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1ih9 1
. 20 . 4477 . 1 1 3 ILE C C -8.426 -2.031 2.413 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_1ih9 1
. 20 . 4478 . 1 1 3 ILE CA C -9.356 -0.984 3.104 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_1ih9 1
. 20 . 4479 . 1 1 3 ILE CB C -9.923 -1.461 4.496 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_1ih9 1
. 20 . 4480 . 1 1 3 ILE CD1 C -8.434 -0.523 6.428 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_1ih9 1
. 20 . 4481 . 1 1 3 ILE CG1 C -8.826 -1.740 5.578 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_1ih9 1
. 20 . 4482 . 1 1 3 ILE CG2 C -10.897 -2.668 4.413 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_1ih9 1
. 20 . 4483 . 1 1 3 ILE H H -11.385 -0.826 2.267 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_1ih9 1
. 20 . 4484 . 1 1 3 ILE HA H -8.688 -0.124 3.289 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_1ih9 1
. 20 . 4485 . 1 1 3 ILE HB H -10.548 -0.634 4.886 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_1ih9 1
. 20 . 4486 . 1 1 3 ILE HD11 H -9.287 -0.156 7.028 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_1ih9 1
. 20 . 4487 . 1 1 3 ILE HD12 H -7.628 -0.785 7.140 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_1ih9 1
. 20 . 4488 . 1 1 3 ILE HD13 H -8.068 0.317 5.810 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_1ih9 1
. 20 . 4489 . 1 1 3 ILE HG12 H -9.148 -2.531 6.283 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_1ih9 1
. 20 . 4490 . 1 1 3 ILE HG13 H -7.914 -2.159 5.117 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_1ih9 1
. 20 . 4491 . 1 1 3 ILE HG21 H -10.403 -3.599 4.074 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_1ih9 1
. 20 . 4492 . 1 1 3 ILE HG22 H -11.352 -2.885 5.398 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_1ih9 1
. 20 . 4493 . 1 1 3 ILE HG23 H -11.735 -2.476 3.718 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_1ih9 1
. 20 . 4494 . 1 1 3 ILE N N -10.434 -0.445 2.222 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_1ih9 1
. 20 . 4495 . 1 1 3 ILE O O -7.214 -1.932 2.598 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_1ih9 1
. 20 . 4496 . 1 1 4 GLN C C -7.157 -3.085 -0.242 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1ih9 1
. 20 . 4497 . 1 1 4 GLN CA C -8.122 -3.843 0.717 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1ih9 1
. 20 . 4498 . 1 1 4 GLN CB C -9.035 -4.805 -0.098 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1ih9 1
. 20 . 4499 . 1 1 4 GLN CD C -8.795 -7.195 0.860 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1ih9 1
. 20 . 4500 . 1 1 4 GLN CG C -9.703 -5.958 0.685 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1ih9 1
. 20 . 4501 . 1 1 4 GLN H H -9.973 -2.956 1.535 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1ih9 1
. 20 . 4502 . 1 1 4 GLN HA H -7.479 -4.459 1.377 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1ih9 1
. 20 . 4503 . 1 1 4 GLN HB2 H -9.824 -4.213 -0.601 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1ih9 1
. 20 . 4504 . 1 1 4 GLN HB3 H -8.468 -5.247 -0.940 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1ih9 1
. 20 . 4505 . 1 1 4 GLN HE21 H -9.856 -8.205 -0.515 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1ih9 1
. 20 . 4506 . 1 1 4 GLN HE22 H -8.416 -9.061 0.229 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1ih9 1
. 20 . 4507 . 1 1 4 GLN HG2 H -10.042 -5.611 1.679 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1ih9 1
. 20 . 4508 . 1 1 4 GLN HG3 H -10.637 -6.236 0.159 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1ih9 1
. 20 . 4509 . 1 1 4 GLN N N -8.950 -2.975 1.603 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1ih9 1
. 20 . 4510 . 1 1 4 GLN NE2 N -9.046 -8.262 0.114 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1ih9 1
. 20 . 4511 . 1 1 4 GLN O O -5.998 -3.489 -0.334 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1ih9 1
. 20 . 4512 . 1 1 4 GLN OE1 O -7.861 -7.200 1.660 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1ih9 1
. 20 . 4513 . 1 1 5 . C C -5.612 -0.439 -1.069 . . . 1.0 . . . . . . . . . . . . A . 5 DIV C . . . . . . . . . rr_1ih9 1
. 20 . 4514 . 1 1 5 . CA C -6.811 -1.141 -1.829 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CA . . . . . . . . . rr_1ih9 1
. 20 . 4515 . 1 1 5 . CB1 C -6.314 -1.985 -3.048 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB1 . . . . . . . . . rr_1ih9 1
. 20 . 4516 . 1 1 5 . CB2 C -7.789 -0.037 -2.334 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CB2 . . . . . . . . . rr_1ih9 1
. 20 . 4517 . 1 1 5 . CG1 C -7.310 -2.525 -4.092 . . . 1.0 . . . . . . . . . . . . A . 5 DIV CG1 . . . . . . . . . rr_1ih9 1
. 20 . 4518 . 1 1 5 . H2 H -8.541 -1.679 -0.656 . . . 1.0 . . . . . . . . . . . . A . 5 DIV H2 . . . . . . . . . rr_1ih9 1
. 20 . 4519 . 1 1 5 . HB11 H -5.587 -1.356 -3.548 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB11 . . . . . . . . . rr_1ih9 1
. 20 . 4520 . 1 1 5 . HB12 H -5.707 -2.838 -2.704 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB12 . . . . . . . . . rr_1ih9 1
. 20 . 4521 . 1 1 5 . HB21 H -8.204 0.573 -1.513 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB21 . . . . . . . . . rr_1ih9 1
. 20 . 4522 . 1 1 5 . HB22 H -7.300 0.669 -3.030 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB22 . . . . . . . . . rr_1ih9 1
. 20 . 4523 . 1 1 5 . HB23 H -8.663 -0.455 -2.865 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HB23 . . . . . . . . . rr_1ih9 1
. 20 . 4524 . 1 1 5 . HG11 H -7.840 -1.710 -4.618 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG11 . . . . . . . . . rr_1ih9 1
. 20 . 4525 . 1 1 5 . HG12 H -6.781 -3.112 -4.865 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG12 . . . . . . . . . rr_1ih9 1
. 20 . 4526 . 1 1 5 . HG13 H -8.069 -3.182 -3.628 . . . 1.0 . . . . . . . . . . . . A . 5 DIV HG13 . . . . . . . . . rr_1ih9 1
. 20 . 4527 . 1 1 5 . N N -7.617 -2.006 -0.925 . . . 1.0 . . . . . . . . . . . . A . 5 DIV N . . . . . . . . . rr_1ih9 1
. 20 . 4528 . 1 1 5 . O O -4.447 -0.601 -1.449 . . . 1.0 . . . . . . . . . . . . A . 5 DIV O . . . . . . . . . rr_1ih9 1
. 20 . 4529 . 1 1 6 ILE C C -3.909 -0.229 1.619 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1ih9 1
. 20 . 4530 . 1 1 6 ILE CA C -4.819 0.857 0.930 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1ih9 1
. 20 . 4531 . 1 1 6 ILE CB C -5.456 1.912 1.914 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1ih9 1
. 20 . 4532 . 1 1 6 ILE CD1 C -5.357 4.018 0.313 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1ih9 1
. 20 . 4533 . 1 1 6 ILE CG1 C -6.202 3.098 1.215 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1ih9 1
. 20 . 4534 . 1 1 6 ILE CG2 C -4.469 2.492 2.963 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1ih9 1
. 20 . 4535 . 1 1 6 ILE H H -6.873 0.319 0.294 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1ih9 1
. 20 . 4536 . 1 1 6 ILE HA H -4.122 1.422 0.280 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1ih9 1
. 20 . 4537 . 1 1 6 ILE HB H -6.226 1.377 2.505 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1ih9 1
. 20 . 4538 . 1 1 6 ILE HD11 H -4.912 3.468 -0.536 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1ih9 1
. 20 . 4539 . 1 1 6 ILE HD12 H -5.970 4.831 -0.112 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1ih9 1
. 20 . 4540 . 1 1 6 ILE HD13 H -4.528 4.494 0.868 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1ih9 1
. 20 . 4541 . 1 1 6 ILE HG12 H -7.040 2.703 0.611 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1ih9 1
. 20 . 4542 . 1 1 6 ILE HG13 H -6.702 3.722 1.980 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1ih9 1
. 20 . 4543 . 1 1 6 ILE HG21 H -3.584 2.952 2.487 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1ih9 1
. 20 . 4544 . 1 1 6 ILE HG22 H -4.939 3.262 3.604 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1ih9 1
. 20 . 4545 . 1 1 6 ILE HG23 H -4.098 1.708 3.648 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1ih9 1
. 20 . 4546 . 1 1 6 ILE N N -5.881 0.295 0.035 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1ih9 1
. 20 . 4547 . 1 1 6 ILE O O -2.754 0.082 1.923 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1ih9 1
. 20 . 4548 . 1 1 7 THR C C -2.613 -3.212 1.254 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1ih9 1
. 20 . 4549 . 1 1 7 THR CA C -3.568 -2.610 2.322 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1ih9 1
. 20 . 4550 . 1 1 7 THR CB C -4.468 -3.660 3.033 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1ih9 1
. 20 . 4551 . 1 1 7 THR CG2 C -3.735 -4.885 3.608 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1ih9 1
. 20 . 4552 . 1 1 7 THR H H -5.343 -1.621 1.467 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1ih9 1
. 20 . 4553 . 1 1 7 THR HA H -2.900 -2.208 3.100 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1ih9 1
. 20 . 4554 . 1 1 7 THR HB H -5.229 -4.028 2.321 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1ih9 1
. 20 . 4555 . 1 1 7 THR HG1 H -5.599 -2.285 3.759 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1ih9 1
. 20 . 4556 . 1 1 7 THR HG21 H -4.423 -5.526 4.189 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1ih9 1
. 20 . 4557 . 1 1 7 THR HG22 H -3.306 -5.516 2.806 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1ih9 1
. 20 . 4558 . 1 1 7 THR HG23 H -2.904 -4.593 4.279 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1ih9 1
. 20 . 4559 . 1 1 7 THR N N -4.390 -1.473 1.826 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1ih9 1
. 20 . 4560 . 1 1 7 THR O O -1.463 -3.462 1.613 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1ih9 1
. 20 . 4561 . 1 1 7 THR OG1 O -5.140 -3.044 4.127 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1ih9 1
. 20 . 4562 . 1 1 8 ABA C C -0.930 -2.679 -1.345 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . rr_1ih9 1
. 20 . 4563 . 1 1 8 ABA CA C -2.081 -3.745 -1.151 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . rr_1ih9 1
. 20 . 4564 . 1 1 8 ABA N N -3.022 -3.435 -0.017 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . rr_1ih9 1
. 20 . 4565 . 1 1 8 ABA O O 0.235 -3.019 -1.589 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . rr_1ih9 1
. 20 . 4566 . 1 1 9 LEU C C 0.525 0.000 0.050 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1ih9 1
. 20 . 4567 . 1 1 9 LEU CA C -0.296 -0.259 -1.259 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1ih9 1
. 20 . 4568 . 1 1 9 LEU CB C -1.075 0.997 -1.738 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1ih9 1
. 20 . 4569 . 1 1 9 LEU CD1 C -2.729 1.819 -3.527 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1ih9 1
. 20 . 4570 . 1 1 9 LEU CD2 C -0.282 1.445 -4.144 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1ih9 1
. 20 . 4571 . 1 1 9 LEU CG C -1.457 0.993 -3.251 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1ih9 1
. 20 . 4572 . 1 1 9 LEU H H -2.261 -1.205 -1.029 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1ih9 1
. 20 . 4573 . 1 1 9 LEU HA H 0.456 -0.473 -2.038 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1ih9 1
. 20 . 4574 . 1 1 9 LEU HB2 H -1.980 1.117 -1.110 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1ih9 1
. 20 . 4575 . 1 1 9 LEU HB3 H -0.480 1.903 -1.525 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1ih9 1
. 20 . 4576 . 1 1 9 LEU HD11 H -2.611 2.882 -3.241 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1ih9 1
. 20 . 4577 . 1 1 9 LEU HD12 H -3.008 1.786 -4.598 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1ih9 1
. 20 . 4578 . 1 1 9 LEU HD13 H -3.598 1.422 -2.966 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1ih9 1
. 20 . 4579 . 1 1 9 LEU HD21 H 0.617 0.820 -3.979 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1ih9 1
. 20 . 4580 . 1 1 9 LEU HD22 H -0.528 1.364 -5.220 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1ih9 1
. 20 . 4581 . 1 1 9 LEU HD23 H 0.011 2.494 -3.947 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1ih9 1
. 20 . 4582 . 1 1 9 LEU HG H -1.714 -0.039 -3.554 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1ih9 1
. 20 . 4583 . 1 1 9 LEU N N -1.266 -1.380 -1.215 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1ih9 1
. 20 . 4584 . 1 1 9 LEU O O 1.522 0.725 -0.035 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1ih9 1
. 20 . 4585 . 1 1 10 ABA C C 2.405 -1.100 2.373 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ih9 1
. 20 . 4586 . 1 1 10 ABA CA C 0.943 -0.487 2.508 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ih9 1
. 20 . 4587 . 1 1 10 ABA N N 0.160 -0.572 1.231 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ih9 1
. 20 . 4588 . 1 1 10 ABA O O 3.353 -0.362 2.655 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ih9 1
. 20 . 4589 . 1 1 11 HYP C C 4.699 -2.089 0.231 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . rr_1ih9 1
. 20 . 4590 . 1 1 11 HYP CA C 4.065 -2.782 1.485 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . rr_1ih9 1
. 20 . 4591 . 1 1 11 HYP CB C 3.925 -4.305 1.300 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . rr_1ih9 1
. 20 . 4592 . 1 1 11 HYP CD C 1.722 -3.448 1.713 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . rr_1ih9 1
. 20 . 4593 . 1 1 11 HYP CG C 2.464 -4.526 0.922 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . rr_1ih9 1
. 20 . 4594 . 1 1 11 HYP HA H 4.750 -2.609 2.336 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . rr_1ih9 1
. 20 . 4595 . 1 1 11 HYP HB2 H 4.618 -4.725 0.551 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . rr_1ih9 1
. 20 . 4596 . 1 1 11 HYP HB3 H 4.146 -4.827 2.248 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . rr_1ih9 1
. 20 . 4597 . 1 1 11 HYP HD1 H 1.132 -5.710 1.654 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . rr_1ih9 1
. 20 . 4598 . 1 1 11 HYP HD22 H 0.831 -3.123 1.157 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . rr_1ih9 1
. 20 . 4599 . 1 1 11 HYP HD23 H 1.412 -3.835 2.703 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . rr_1ih9 1
. 20 . 4600 . 1 1 11 HYP HG H 2.323 -4.376 -0.168 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . rr_1ih9 1
. 20 . 4601 . 1 1 11 HYP N N 2.696 -2.360 1.898 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . rr_1ih9 1
. 20 . 4602 . 1 1 11 HYP O O 5.896 -2.298 0.008 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . rr_1ih9 1
. 20 . 4603 . 1 1 11 HYP OD1 O 2.017 -5.824 1.299 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . rr_1ih9 1
. 20 . 4604 . 1 1 12 GLN C C 4.893 1.115 -1.053 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1ih9 1
. 20 . 4605 . 1 1 12 GLN CA C 4.564 -0.331 -1.546 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1ih9 1
. 20 . 4606 . 1 1 12 GLN CB C 3.670 -0.270 -2.817 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1ih9 1
. 20 . 4607 . 1 1 12 GLN CD C 2.650 -1.495 -4.841 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1ih9 1
. 20 . 4608 . 1 1 12 GLN CG C 3.325 -1.625 -3.463 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1ih9 1
. 20 . 4609 . 1 1 12 GLN H H 3.015 -1.050 -0.211 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1ih9 1
. 20 . 4610 . 1 1 12 GLN HA H 5.549 -0.739 -1.832 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1ih9 1
. 20 . 4611 . 1 1 12 GLN HB2 H 2.729 0.263 -2.591 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1ih9 1
. 20 . 4612 . 1 1 12 GLN HB3 H 4.181 0.358 -3.565 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1ih9 1
. 20 . 4613 . 1 1 12 GLN HE21 H 1.065 -2.535 -4.195 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1ih9 1
. 20 . 4614 . 1 1 12 GLN HE22 H 1.069 -1.959 -5.948 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1ih9 1
. 20 . 4615 . 1 1 12 GLN HG2 H 4.245 -2.232 -3.556 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1ih9 1
. 20 . 4616 . 1 1 12 GLN HG3 H 2.681 -2.174 -2.741 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1ih9 1
. 20 . 4617 . 1 1 12 GLN N N 3.967 -1.241 -0.531 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1ih9 1
. 20 . 4618 . 1 1 12 GLN NE2 N 1.454 -2.030 -4.999 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1ih9 1
. 20 . 4619 . 1 1 12 GLN O O 5.225 1.949 -1.894 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1ih9 1
. 20 . 4620 . 1 1 12 GLN OE1 O 3.199 -0.930 -5.786 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1ih9 1
. 20 . 4621 . 1 1 13 ABA C C 7.181 1.881 1.154 . . . 1.0 . . . . . . . . . . . . A . 13 AIB C . . . . . . . . . rr_1ih9 1
. 20 . 4622 . 1 1 13 ABA CA C 5.691 2.452 0.954 . . . 1.0 . . . . . . . . . . . . A . 13 AIB CA . . . . . . . . . rr_1ih9 1
. 20 . 4623 . 1 1 13 ABA N N 4.876 1.396 0.271 . . . 1.0 . . . . . . . . . . . . A . 13 AIB N . . . . . . . . . rr_1ih9 1
. 20 . 4624 . 1 1 13 ABA O O 8.116 2.440 0.558 . . . 1.0 . . . . . . . . . . . . A . 13 AIB O . . . . . . . . . rr_1ih9 1
. 20 . 4625 . 1 1 14 HYP C C 9.556 -0.378 0.779 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . rr_1ih9 1
. 20 . 4626 . 1 1 14 HYP CA C 8.869 0.223 2.036 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . rr_1ih9 1
. 20 . 4627 . 1 1 14 HYP CB C 8.770 -0.811 3.176 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . rr_1ih9 1
. 20 . 4628 . 1 1 14 HYP CD C 6.516 -0.050 2.632 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . rr_1ih9 1
. 20 . 4629 . 1 1 14 HYP CG C 7.287 -1.122 3.396 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . rr_1ih9 1
. 20 . 4630 . 1 1 14 HYP HA H 9.515 1.046 2.396 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . rr_1ih9 1
. 20 . 4631 . 1 1 14 HYP HB2 H 9.322 -1.746 2.956 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . rr_1ih9 1
. 20 . 4632 . 1 1 14 HYP HB3 H 9.223 -0.399 4.097 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . rr_1ih9 1
. 20 . 4633 . 1 1 14 HYP HD1 H 7.236 -0.212 5.080 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . rr_1ih9 1
. 20 . 4634 . 1 1 14 HYP HD22 H 5.804 -0.513 1.942 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . rr_1ih9 1
. 20 . 4635 . 1 1 14 HYP HD23 H 5.931 0.566 3.312 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . rr_1ih9 1
. 20 . 4636 . 1 1 14 HYP HG H 7.034 -2.124 2.998 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . rr_1ih9 1
. 20 . 4637 . 1 1 14 HYP N N 7.491 0.757 1.891 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . rr_1ih9 1
. 20 . 4638 . 1 1 14 HYP O O 10.763 -0.164 0.643 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . rr_1ih9 1
. 20 . 4639 . 1 1 14 HYP OD1 O 6.969 -1.084 4.782 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . rr_1ih9 1
. 20 . 4640 . 1 1 15 ABA C C 10.136 -0.660 -2.312 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . rr_1ih9 1
. 20 . 4641 . 1 1 15 ABA CA C 9.452 -1.727 -1.352 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . rr_1ih9 1
. 20 . 4642 . 1 1 15 ABA N N 8.855 -1.130 -0.112 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . rr_1ih9 1
. 20 . 4643 . 1 1 15 ABA O O 11.277 -0.898 -2.727 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . rr_1ih9 1
. 20 . 4644 . 1 1 16 PRO C C 11.315 2.420 -2.202 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . rr_1ih9 1
. 20 . 4645 . 1 1 16 PRO CA C 10.362 1.681 -3.180 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . rr_1ih9 1
. 20 . 4646 . 1 1 16 PRO CB C 9.294 2.590 -3.808 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . rr_1ih9 1
. 20 . 4647 . 1 1 16 PRO CD C 8.159 0.906 -2.431 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . rr_1ih9 1
. 20 . 4648 . 1 1 16 PRO CG C 8.010 2.311 -3.029 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . rr_1ih9 1
. 20 . 4649 . 1 1 16 PRO HA H 11.012 1.301 -3.972 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . rr_1ih9 1
. 20 . 4650 . 1 1 16 PRO HB2 H 9.562 3.662 -3.787 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . rr_1ih9 1
. 20 . 4651 . 1 1 16 PRO HB3 H 9.145 2.329 -4.873 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . rr_1ih9 1
. 20 . 4652 . 1 1 16 PRO HD2 H 7.893 0.926 -1.365 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . rr_1ih9 1
. 20 . 4653 . 1 1 16 PRO HD3 H 7.482 0.173 -2.887 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . rr_1ih9 1
. 20 . 4654 . 1 1 16 PRO HG2 H 7.896 3.055 -2.219 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . rr_1ih9 1
. 20 . 4655 . 1 1 16 PRO HG3 H 7.114 2.399 -3.672 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . rr_1ih9 1
. 20 . 4656 . 1 1 16 PRO N N 9.570 0.545 -2.643 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . rr_1ih9 1
. 20 . 4657 . 1 1 16 PRO O O 12.335 2.933 -2.669 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . rr_1ih9 1
. 20 . 4658 . 1 1 17 PHL C C 12.358 2.513 1.189 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . rr_1ih9 1
. 20 . 4659 . 1 1 17 PHL CA C 11.734 3.361 0.056 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . rr_1ih9 1
. 20 . 4660 . 1 1 17 PHL CB C 10.792 4.462 0.608 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . rr_1ih9 1
. 20 . 4661 . 1 1 17 PHL CD1 C 10.812 6.029 -1.442 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . rr_1ih9 1
. 20 . 4662 . 1 1 17 PHL CD2 C 8.726 5.630 -0.300 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . rr_1ih9 1
. 20 . 4663 . 1 1 17 PHL CE1 C 10.150 6.840 -2.364 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . rr_1ih9 1
. 20 . 4664 . 1 1 17 PHL CE2 C 8.064 6.437 -1.223 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . rr_1ih9 1
. 20 . 4665 . 1 1 17 PHL CG C 10.103 5.405 -0.406 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . rr_1ih9 1
. 20 . 4666 . 1 1 17 PHL CZ C 8.780 7.043 -2.249 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . rr_1ih9 1
. 20 . 4667 . 1 1 17 PHL H2 H 10.095 2.033 -0.665 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H2 . . . . . . . . . rr_1ih9 1
. 20 . 4668 . 1 1 17 PHL HA H 12.579 3.868 -0.454 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . rr_1ih9 1
. 20 . 4669 . 1 1 17 PHL HB2 H 10.025 3.938 1.213 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . rr_1ih9 1
. 20 . 4670 . 1 1 17 PHL HB3 H 11.351 5.086 1.333 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . rr_1ih9 1
. 20 . 4671 . 1 1 17 PHL HC1 H 12.824 1.594 0.786 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . rr_1ih9 1
. 20 . 4672 . 1 1 17 PHL HC2 H 11.591 2.188 1.921 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . rr_1ih9 1
. 20 . 4673 . 1 1 17 PHL HD1 H 11.874 5.865 -1.553 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . rr_1ih9 1
. 20 . 4674 . 1 1 17 PHL HD2 H 8.165 5.170 0.497 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . rr_1ih9 1
. 20 . 4675 . 1 1 17 PHL HE1 H 10.698 7.298 -3.174 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . rr_1ih9 1
. 20 . 4676 . 1 1 17 PHL HE2 H 6.997 6.582 -1.145 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . rr_1ih9 1
. 20 . 4677 . 1 1 17 PHL HO H 12.980 4.084 2.115 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . rr_1ih9 1
. 20 . 4678 . 1 1 17 PHL HZ H 8.264 7.672 -2.965 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . rr_1ih9 1
. 20 . 4679 . 1 1 17 PHL N N 10.988 2.496 -0.897 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . rr_1ih9 1
. 20 . 4680 . 1 1 17 PHL O O 13.370 3.245 1.871 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . rr_1ih9 1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_framecode global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID rr_1ih9
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 1ih9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1ih9 1
1 1ih9.mr . . DYANA/DIANA 2 distance NOE simple 132 rr_1ih9 1
1 1ih9.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 60 rr_1ih9 1
1 1ih9.mr . . DYANA/DIANA 4 distance NOE simple 29 rr_1ih9 1
1 1ih9.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 11 rr_1ih9 1
1 1ih9.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1ih9 1
stop_
save_
save_constraint_statistics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Sf_framecode constraint_statistics
_Constraint_stat_list.Entry_ID rr_1ih9
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 "From CCPN project: '1ih9'" . . . . distance "general distance" . 53 rr_1ih9 1
2 "From CCPN project: '1ih9'" . . . . distance "general distance" . 15 rr_1ih9 1
3 "From CCPN project: '1ih9'" . . . . distance "hydrogen bond" . 44 rr_1ih9 1
4 "From CCPN project: '1ih9'" . . . . "dihedral angle" "Not applicable" . 10 rr_1ih9 1
stop_
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 1ih9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1ih9 1
1 1ih9.mr . . DYANA/DIANA 2 distance NOE simple 132 rr_1ih9 1
1 1ih9.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 60 rr_1ih9 1
1 1ih9.mr . . DYANA/DIANA 4 distance NOE simple 29 rr_1ih9 1
1 1ih9.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 11 rr_1ih9 1
1 1ih9.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1ih9 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_1ih9
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 2
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1ih9 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 2 2 TRP H H . . . 1 1 2 2 TRP CB C . . . . . . . 3.14 . . . . . A . 2 TRP H . . A . 2 TRP CB . . . 2 TRP HN . . . . . 2 TRP CB . . rr_1ih9 1
2 1 . . 1 1 3 3 ILE H H . . . 1 1 2 2 TRP H H . . . . . . . 3.14 . . . . . A . 2 TRP H . . A . 3 ILE H . . . 2 TRP HN . . . . . 3 ILE HN . . rr_1ih9 1
3 1 . . 1 1 3 3 ILE H H . . . 1 1 2 2 TRP HB3 H . . . . . . . 3.95 . . . . . A . 2 TRP HB3 . . A . 3 ILE H . . . 2 TRP HB2 . . . . . 3 ILE HN . . rr_1ih9 1
4 1 . . 1 1 3 3 ILE H H . . . 1 1 2 2 TRP CB C . . . . . . . 3.68 . . . . . A . 2 TRP CB . . A . 3 ILE H . . . 2 TRP CB . . . . . 3 ILE HN . . rr_1ih9 1
5 1 . . 1 1 3 3 ILE H H . . . 1 1 4 4 GLN H H . . . . . . . 3.08 . . . . . A . 3 ILE H . . A . 4 GLN H . . . 3 ILE HN . . . . . 4 GLN HN . . rr_1ih9 1
6 1 . . 1 1 3 3 ILE HA H . . . 1 1 6 6 ILE H H . . . . . . . 3.73 . . . . . A . 3 ILE HA . . A . 6 ILE H . . . 3 ILE HA . . . . . 6 ILE HN . . rr_1ih9 1
7 1 . . 1 1 3 3 ILE HA H . . . 1 1 6 6 ILE HB H . . . . . . . 3.05 . . . . . A . 3 ILE HA . . A . 6 ILE HB . . . 3 ILE HA . . . . . 6 ILE HB . . rr_1ih9 1
8 1 . . 1 1 4 4 GLN H H . . . 1 1 4 4 GLN CB C . . . . . . . 3.02 . . . . . A . 4 GLN H . . A . 4 GLN CB . . . 4 GLN HN . . . . . 4 GLN CB . . rr_1ih9 1
9 1 . . 1 1 4 4 GLN HA H . . . 1 1 7 7 THR H H . . . . . . . 3.55 . . . . . A . 4 GLN HA . . A . 7 THR H . . . 4 GLN HA . . . . . 7 THR HN . . rr_1ih9 1
10 1 . . 1 1 4 4 GLN HA H . . . 1 1 8 8 ABA H H . . . . . . . 4.07 . . . . . A . 4 GLN HA . . A . 8 AIB H . . . 4 GLN HA . . . . . 8 AIB HN . . rr_1ih9 1
11 1 . . 1 1 4 4 GLN CB C . . . 1 1 8 8 ABA H H . . . . . . . 5.34 . . . . . A . 4 GLN CB . . A . 8 AIB H . . . 4 GLN CB . . . . . 8 AIB HN . . rr_1ih9 1
12 1 . . 1 1 6 6 ILE H H . . . 1 1 7 7 THR H H . . . . . . . 3.14 . . . . . A . 6 ILE H . . A . 7 THR H . . . 6 ILE HN . . . . . 7 THR HN . . rr_1ih9 1
13 1 . . 1 1 6 6 ILE HA H . . . 1 1 9 9 LEU H H . . . . . . . 3.64 . . . . . A . 6 ILE HA . . A . 9 LEU H . . . 6 ILE HA . . . . . 9 LEU HN . . rr_1ih9 1
14 1 . . 1 1 6 6 ILE HA H . . . 1 1 9 9 LEU MD1 H . . . . . . . 5.04 . . . . . A . 6 ILE HA . . A . 9 LEU MD1 . . . 6 ILE HA . . . . . 9 LEU QD1 . . rr_1ih9 1
15 1 . . 1 1 7 7 THR H H . . . 1 1 8 8 ABA H H . . . . . . . 3.08 . . . . . A . 7 THR H . . A . 8 AIB H . . . 7 THR HN . . . . . 8 AIB HN . . rr_1ih9 1
16 1 . . 1 1 8 8 ABA H H . . . 1 1 7 7 THR HA H . . . . . . . 3.55 . . . . . A . 7 THR HA . . A . 8 AIB H . . . 7 THR HA . . . . . 8 AIB HN . . rr_1ih9 1
17 1 . . 1 1 9 9 LEU H H . . . 1 1 7 7 THR HA H . . . . . . . 4.29 . . . . . A . 7 THR HA . . A . 9 LEU H . . . 7 THR HA . . . . . 9 LEU HN . . rr_1ih9 1
18 1 . . 1 1 8 8 ABA H H . . . 1 1 7 7 THR HB H . . . . . . . 3.21 . . . . . A . 7 THR HB . . A . 8 AIB H . . . 7 THR HB . . . . . 8 AIB HN . . rr_1ih9 1
19 1 . . 1 1 8 8 ABA H H . . . 1 1 9 9 LEU H H . . . . . . . 2.99 . . . . . A . 8 AIB H . . A . 9 LEU H . . . 8 AIB HN . . . . . 9 LEU HN . . rr_1ih9 1
20 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU HG H . . . . . . . 2.99 . . . . . A . 9 LEU H . . A . 9 LEU HG . . . 9 LEU HN . . . . . 9 LEU HG . . rr_1ih9 1
21 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU MD1 H . . . . . . . 6.53 . . . . . A . 9 LEU H . . A . 9 LEU MD1 . . . 9 LEU HN . . . . . 9 LEU QD1 . . rr_1ih9 1
22 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU MD2 H . . . . . . . 6.53 . . . . . A . 9 LEU H . . A . 9 LEU MD2 . . . 9 LEU HN . . . . . 9 LEU QD2 . . rr_1ih9 1
23 1 . . 1 1 9 9 LEU H H . . . 1 1 10 10 ABA H H . . . . . . . 2.90 . . . . . A . 9 LEU H . . A . 10 AIB H . . . 9 LEU HN . . . . . 10 AIB HN . . rr_1ih9 1
24 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU HG H . . . . . . . 3.61 . . . . . A . 9 LEU HA . . A . 9 LEU HG . . . 9 LEU HA . . . . . 9 LEU HG . . rr_1ih9 1
25 1 . . 1 1 9 9 LEU MD1 H . . . 1 1 9 9 LEU HA H . . . . . . . 6.53 . . . . . A . 9 LEU HA . . A . 9 LEU MD1 . . . 9 LEU HA . . . . . 9 LEU QD1 . . rr_1ih9 1
26 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU MD2 H . . . . . . . 6.53 . . . . . A . 9 LEU HA . . A . 9 LEU MD2 . . . 9 LEU HA . . . . . 9 LEU QD2 . . rr_1ih9 1
27 1 . . 1 1 9 9 LEU HA H . . . 1 1 12 12 GLN H H . . . . . . . 4.79 . . . . . A . 9 LEU HA . . A . 12 GLN H . . . 9 LEU HA . . . . . 12 GLN HN . . rr_1ih9 1
28 1 OR . 1 1 9 9 LEU HA H . . . 1 1 12 12 GLN HB3 H . . . . . . . 6.10 . . . . . A . 9 LEU HA . . A . 12 GLN HB3 . . . 9 LEU HA . . . . . 12 GLN QB . . rr_1ih9 1
28 2 OR . 1 1 9 9 LEU HA H . . . 1 1 12 12 GLN HB2 H . . . . . . . 6.10 . . . . . A . 9 LEU HA . . A . 12 GLN HB2 . . . 9 LEU HA . . . . . 12 GLN QB . . rr_1ih9 1
29 1 . . 1 1 10 10 ABA H H . . . 1 1 9 9 LEU HB3 H . . . . . . . 3.92 . . . . . A . 9 LEU HB3 . . A . 10 AIB H . . . 9 LEU HB2 . . . . . 10 AIB HN . . rr_1ih9 1
30 1 . . 1 1 11 11 HYP HD22 H . . . 1 1 10 10 ABA H H . . . . . . . 4.72 . . . . . A . 10 AIB H . . A . 11 HYP HD22 . . . 10 AIB HN . . . . . 11 HYP HD22 . . rr_1ih9 1
31 1 . . 1 1 11 11 HYP HD23 H . . . 1 1 10 10 ABA H H . . . . . . . 4.76 . . . . . A . 10 AIB H . . A . 11 HYP HD23 . . . 10 AIB HN . . . . . 11 HYP HD23 . . rr_1ih9 1
32 1 . . 1 1 11 11 HYP HD23 H . . . 1 1 12 12 GLN H H . . . . . . . 5.50 . . . . . A . 11 HYP HD23 . . A . 12 GLN H . . . 11 HYP HD23 . . . . . 12 GLN HN . . rr_1ih9 1
33 1 . . 1 1 12 12 GLN H H . . . 1 1 13 13 ABA H H . . . . . . . 2.59 . . . . . A . 12 GLN H . . A . 13 AIB H . . . 12 GLN HN . . . . . 13 AIB HN . . rr_1ih9 1
34 1 . . 1 1 12 12 GLN H H . . . 1 1 14 14 HYP HD22 H . . . . . . . 3.98 . . . . . A . 12 GLN H . . A . 14 HYP HD22 . . . 12 GLN HN . . . . . 14 HYP HD22 . . rr_1ih9 1
35 1 . . 1 1 12 12 GLN H H . . . 1 1 14 14 HYP HD23 H . . . . . . . 5.50 . . . . . A . 12 GLN H . . A . 14 HYP HD23 . . . 12 GLN HN . . . . . 14 HYP HD23 . . rr_1ih9 1
36 1 . . 1 1 13 13 ABA H H . . . 1 1 12 12 GLN HA H . . . . . . . 3.48 . . . . . A . 12 GLN HA . . A . 13 AIB H . . . 12 GLN HA . . . . . 13 AIB HN . . rr_1ih9 1
37 1 . . 1 1 14 14 HYP HD22 H . . . 1 1 12 12 GLN HA H . . . . . . . 4.20 . . . . . A . 12 GLN HA . . A . 14 HYP HD22 . . . 12 GLN HA . . . . . 14 HYP HD22 . . rr_1ih9 1
38 1 . . 1 1 14 14 HYP HD23 H . . . 1 1 12 12 GLN HA H . . . . . . . 5.27 . . . . . A . 12 GLN HA . . A . 14 HYP HD23 . . . 12 GLN HA . . . . . 14 HYP HD23 . . rr_1ih9 1
39 1 . . 1 1 12 12 GLN HA H . . . 1 1 15 15 ABA H H . . . . . . . 4.11 . . . . . A . 12 GLN HA . . A . 15 AIB H . . . 12 GLN HA . . . . . 15 AIB HN . . rr_1ih9 1
40 1 OR . 1 1 15 15 ABA H H . . . 1 1 12 12 GLN HB3 H . . . . . . . 5.79 . . . . . A . 12 GLN HB3 . . A . 15 AIB H . . . 12 GLN QB . . . . . 15 AIB HN . . rr_1ih9 1
40 2 OR . 1 1 12 12 GLN HB2 H . . . 1 1 15 15 ABA H H . . . . . . . 5.79 . . . . . A . 12 GLN HB2 . . A . 15 AIB H . . . 12 GLN QB . . . . . 15 AIB HN . . rr_1ih9 1
41 1 . . 1 1 13 13 ABA H H . . . 1 1 12 12 GLN HG3 H . . . . . . . 5.50 . . . . . A . 12 GLN HG3 . . A . 13 AIB H . . . 12 GLN HG2 . . . . . 13 AIB HN . . rr_1ih9 1
42 1 . . 1 1 15 15 ABA H H . . . 1 1 12 12 GLN HG3 H . . . . . . . 5.50 . . . . . A . 12 GLN HG3 . . A . 15 AIB H . . . 12 GLN HG2 . . . . . 15 AIB HN . . rr_1ih9 1
43 1 . . 1 1 13 13 ABA H H . . . 1 1 14 14 HYP HD22 H . . . . . . . 3.86 . . . . . A . 13 AIB H . . A . 14 HYP HD22 . . . 13 AIB HN . . . . . 14 HYP HD22 . . rr_1ih9 1
44 1 . . 1 1 13 13 ABA H H . . . 1 1 14 14 HYP HD23 H . . . . . . . 3.33 . . . . . A . 13 AIB H . . A . 14 HYP HD23 . . . 13 AIB HN . . . . . 14 HYP HD23 . . rr_1ih9 1
45 1 . . 1 1 15 15 ABA H H . . . 1 1 14 14 HYP HB3 H . . . . . . . 3.42 . . . . . A . 14 HYP HB3 . . A . 15 AIB H . . . 14 HYP HB2 . . . . . 15 AIB HN . . rr_1ih9 1
46 1 . . 1 1 14 14 HYP HD22 H . . . 1 1 15 15 ABA H H . . . . . . . 3.67 . . . . . A . 14 HYP HD22 . . A . 15 AIB H . . . 14 HYP HD22 . . . . . 15 AIB HN . . rr_1ih9 1
47 1 . . 1 1 14 14 HYP HD23 H . . . 1 1 15 15 ABA H H . . . . . . . 5.50 . . . . . A . 14 HYP HD23 . . A . 15 AIB H . . . 14 HYP HD23 . . . . . 15 AIB HN . . rr_1ih9 1
48 1 . . 1 1 15 15 ABA H H . . . 1 1 16 16 PRO HD3 H . . . . . . . 3.08 . . . . . A . 15 AIB H . . A . 16 PRO HD3 . . . 15 AIB HN . . . . . 16 PRO HD2 . . rr_1ih9 1
49 1 . . 1 1 16 16 PRO HB3 H . . . 1 1 17 17 PHL HA H . . . . . . . 5.50 . . . . . A . 16 PRO HB3 . . A . 17 PHL HA . . . 16 PRO HB2 . . . . . 17 PHE HA . . rr_1ih9 1
50 1 OR . 1 1 12 12 GLN H H . . . 1 1 12 12 GLN HB3 H . . . . . . . 3.65 . . . . . A . 12 GLN H . . A . 12 GLN HB3 . . . 12 GLN HN . . . . . 12 GLN QB . . rr_1ih9 1
50 2 OR . 1 1 12 12 GLN H H . . . 1 1 12 12 GLN HB2 H . . . . . . . 3.65 . . . . . A . 12 GLN H . . A . 12 GLN HB2 . . . 12 GLN HN . . . . . 12 GLN QB . . rr_1ih9 1
51 1 . . 1 1 12 12 GLN HA H . . . 1 1 12 12 GLN HG3 H . . . . . . . 2.62 . . . . . A . 12 GLN HA . . A . 12 GLN HG3 . . . 12 GLN HA . . . . . 12 GLN HG2 . . rr_1ih9 1
52 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU HB3 H . . . . . . . 2.46 . . . . . A . 9 LEU H . . A . 9 LEU HB3 . . . 9 LEU HN . . . . . 9 LEU HB2 . . rr_1ih9 1
53 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU HB3 H . . . . . . . 3.05 . . . . . A . 9 LEU HA . . A . 9 LEU HB3 . . . 9 LEU HA . . . . . 9 LEU HB2 . . rr_1ih9 1
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "Upl restraints, acount for free rotation of some side-chains" 1 1 1 61 rr_1ih9 1
2 "some restraints from noe50 peaklist, other from noe100" 2 1 2 55 rr_1ih9 1
3 "1 GLY QA 2 TRP HD1 6.07" 4 1 4 53 rr_1ih9 1
4 "1 GLY QA 2 TRP HE3 6.38" 5 1 5 53 rr_1ih9 1
5 "1 GLY QA 15 AIB HN 6.19" 11 1 11 53 rr_1ih9 1
6 "1 GLY QA 15 AIB QB1 7.40" 12 1 12 53 rr_1ih9 1
7 "1 GLY QA 16 PRO HG3 6.38" 13 1 13 53 rr_1ih9 1
8 "2 TRP HN 2 TRP HB3 3.14 -free rotation" 15 1 15 67 rr_1ih9 1
9 "2 TRP HN 2 TRP QB 2.92" 16 1 16 53 rr_1ih9 1
10 "2 TRP HN 2 TRP HD1 3.67" 17 1 17 53 rr_1ih9 1
11 "2 TRP HA 2 TRP HB2 2.77" 19 1 19 53 rr_1ih9 1
12 "2 TRP HA 2 TRP HB3 2.77" 20 1 20 53 rr_1ih9 1
13 "2 TRP HA 2 TRP HD1 3.89" 21 1 21 53 rr_1ih9 1
14 "2 TRP HA 2 TRP HE3 3.27" 22 1 22 53 rr_1ih9 1
15 "2 TRP HB2 2 TRP HD1 3.55" 25 1 25 53 rr_1ih9 1
16 "2 TRP HB2 2 TRP HE3 3.67" 26 1 26 53 rr_1ih9 1
17 "2 TRP HB3 2 TRP HD1 3.55" 28 1 28 53 rr_1ih9 1
18 "2 TRP HB3 2 TRP HE3 3.67" 29 1 29 53 rr_1ih9 1
19 "2 TRP QB 2 TRP HD1 3.37" 31 1 31 53 rr_1ih9 1
20 "2 TRP QB 2 TRP HE3 3.44" 32 1 32 53 rr_1ih9 1
21 "2 TRP CB 6 ILE QD1 7.37" 34 1 34 53 rr_1ih9 1
22 "2 TRP HD1 5 IVA QB2 6.53" 35 1 35 53 rr_1ih9 1
23 "2 TRP HE3 3 ILE HA 5.50" 36 1 36 53 rr_1ih9 1
24 "2 TRP HE3 5 IVA QB2 5.07" 37 1 37 53 rr_1ih9 1
25 "2 TRP HE3 6 ILE QG2 6.25" 38 1 38 53 rr_1ih9 1
26 "2 TRP HE3 6 ILE QD1 5.13" 39 1 39 53 rr_1ih9 1
27 "2 TRP HZ3 6 ILE QD1 6.53" 40 1 40 53 rr_1ih9 1
28 "3 ILE HN 3 ILE HB 2.71" 41 1 41 53 rr_1ih9 1
29 "3 ILE HN 3 ILE QG2 4.85" 42 1 42 53 rr_1ih9 1
30 "3 ILE HN 3 ILE HG12 4.01" 43 1 43 53 rr_1ih9 1
31 "3 ILE HN 3 ILE HG13 4.01" 44 1 44 53 rr_1ih9 1
32 "3 ILE HN 3 ILE QG1 3.73" 45 1 45 53 rr_1ih9 1
33 "3 ILE HA 3 ILE HB 2.77" 47 1 47 53 rr_1ih9 1
34 "3 ILE HA 3 ILE QG2 3.64" 48 1 48 53 rr_1ih9 1
35 "3 ILE HA 3 ILE QG1 3.74" 49 1 49 53 rr_1ih9 1
36 "3 ILE HA 6 ILE QG2 4.39" 53 1 53 53 rr_1ih9 1
37 "3 ILE HA 6 ILE QD1 5.13" 54 1 54 53 rr_1ih9 1
38 "3 ILE HB 4 GLN HN 3.11" 55 1 55 53 rr_1ih9 1
39 "3 ILE QG2 4 GLN HN 4.79" 56 1 56 53 rr_1ih9 1
40 "3 ILE QG2 4 GLN HA 5.23" 57 1 57 53 rr_1ih9 1
41 "- free rotation" 58 40 58 59 rr_1ih9 1
42 "4 GLN HN 4 GLN HB3 3.02" 59 1 59 53 rr_1ih9 1
43 "4 GLN HN 4 GLN QB 2.75" 60 1 60 53 rr_1ih9 1
44 "4 GLN HN 4 GLN QG 6.00" 61 1 61 53 rr_1ih9 1
45 "4 GLN HA 4 GLN HB2 2.68" 64 1 64 53 rr_1ih9 1
46 "4 GLN HA 4 GLN HB3 2.68" 65 1 65 53 rr_1ih9 1
47 "4 GLN HA 7 THR HB 2.77" 67 1 67 53 rr_1ih9 1
48 "4 GLN HA 7 THR QG2 5.38" 68 1 68 53 rr_1ih9 1
49 "4 GLN HA 14 HYP HB3 4.04" 70 1 70 53 rr_1ih9 1
50 "free rotation" 71 39 71 66 rr_1ih9 1
51 "4 GLN HB2 5 IVA QG 6.23" 72 1 72 53 rr_1ih9 1
52 "free rotation" 73 39 73 66 rr_1ih9 1
53 "4 GLN HB2 15 AIB HN 4.63" 74 1 74 53 rr_1ih9 1
54 "4 GLN HB3 5 IVA HN 3.21" 75 1 75 53 rr_1ih9 1
55 "free rotation" 76 39 76 66 rr_1ih9 1
56 "4 GLN HB3 8 AIB HN 5.34" 77 1 77 53 rr_1ih9 1
57 "4 GLN HB3 15 AIB HN 4.63" 78 1 78 53 rr_1ih9 1
58 "4 GLN QB 5 IVA HN 3.02" 79 1 79 53 rr_1ih9 1
59 "4 GLN QB 5 IVA QG 5.63" 80 1 80 53 rr_1ih9 1
60 "4 GLN QB 8 AIB HN 5.01" 81 1 81 53 rr_1ih9 1
61 "4 GLN QG 5 IVA QG 6.92" 82 1 82 53 rr_1ih9 1
62 "4 GLN QG 14 HYP HD22 6.38" 83 1 83 53 rr_1ih9 1
63 "4 GLN QG 15 AIB HN 6.38" 84 1 84 53 rr_1ih9 1
64 "5 IVA QB2 6 ILE QD1 7.56" 89 1 89 53 rr_1ih9 1
65 "5 IVA HB13 12 GLN HN 5.50" 93 1 93 53 rr_1ih9 1
66 "6 ILE HN 6 ILE HB 2.65" 96 1 96 53 rr_1ih9 1
67 "6 ILE HN 6 ILE HG12 4.17" 97 1 97 53 rr_1ih9 1
68 "6 ILE HN 6 ILE HG13 4.17" 98 1 98 53 rr_1ih9 1
69 "6 ILE HN 6 ILE QG1 3.74" 99 1 99 53 rr_1ih9 1
70 "6 ILE HN 6 ILE QD1 6.16" 100 1 100 53 rr_1ih9 1
71 "6 ILE HA 6 ILE HB 2.93" 102 1 102 53 rr_1ih9 1
72 "6 ILE HA 6 ILE QG2 3.74" 103 1 103 53 rr_1ih9 1
73 "6 ILE HA 6 ILE QG1 3.63" 104 1 104 53 rr_1ih9 1
74 "6 ILE HA 6 ILE QD1 4.48" 105 1 105 53 rr_1ih9 1
75 "6 ILE HB 7 THR HN 3.14" 108 1 108 53 rr_1ih9 1
76 "6 ILE QG2 7 THR HN 5.41" 109 1 109 53 rr_1ih9 1
77 "6 ILE QG2 7 THR QG2 7.56" 110 1 110 53 rr_1ih9 1
78 "6 ILE QG2 10 AIB QB1 7.56" 111 1 111 53 rr_1ih9 1
79 "6 ILE QG2 10 AIB QB2 7.56" 112 1 112 53 rr_1ih9 1
80 "7 THR HN 7 THR HB 3.05" 113 1 113 53 rr_1ih9 1
81 "7 THR HA 7 THR HB 2.83" 115 1 115 53 rr_1ih9 1
82 "7 THR HA 7 THR QG2 3.58" 116 1 116 53 rr_1ih9 1
83 "7 THR QG2 8 AIB HN 6.22" 121 1 121 53 rr_1ih9 1
84 "7 THR QG2 8 AIB QB1 7.56" 122 1 122 53 rr_1ih9 1
85 "7 THR QG2 8 AIB QB2 7.56" 123 1 123 53 rr_1ih9 1
86 "7 THR QG2 9 LEU HA 6.53" 124 1 124 53 rr_1ih9 1
87 "7 THR QG2 10 AIB QB1 7.56" 125 1 125 53 rr_1ih9 1
88 "9 LEU HA 12 GLN HE21 4.48" 143 1 143 53 rr_1ih9 1
89 "9 LEU HB2 12 GLN HE21 4.00 #+0.14 sp dif" 144 1 144 67 rr_1ih9 1
90 "9 LEU HB3 12 GLN HE21 3.52" 145 1 145 53 rr_1ih9 1
91 . 146 38 146 39 rr_1ih9 1
92 "9 LEU HG 12 GLN HE21 4.79" 147 1 147 53 rr_1ih9 1
93 "9 LEU QD2 12 GLN HE21 5.75" 149 1 149 53 rr_1ih9 1
94 "11 HYP HB2 12 GLN HN 3.39 -bad line shape" 159 1 159 68 rr_1ih9 1
95 "+0.2 spin diffusion" 168 38 168 72 rr_1ih9 1
96 . 173 38 173 55 rr_1ih9 1
97 "12 GLN HG3 15 AIB QB1 4.76 -spin diffusion" 176 1 176 54 rr_1ih9 1
98 "from 50" 213 1 213 22 rr_1ih9 1
99 "peak 97 new calibration" 214 40 214 68 rr_1ih9 1
100 "peak 98" 215 40 215 52 rr_1ih9 1
101 "peak 160" 216 40 216 52 rr_1ih9 1
102 "peak 161" 217 40 217 52 rr_1ih9 1
103 "17 PHE HN 17 PHE HB2 2.52 #from 50 old calibration" 218 1 218 71 rr_1ih9 1
104 "17 PHE HN 17 PHE HB3 3.79" 219 1 219 53 rr_1ih9 1
105 "17 PHE HA 17 PHE HB2 3.05" 220 1 220 53 rr_1ih9 1
106 "17 PHE HA 17 PHE HB3 2.50 #+0.1" 221 1 221 58 rr_1ih9 1
107 "from 50" 222 1 222 8 rr_1ih9 1
108 "12 GLN HN 12 GLN HG2 3.73 - spin diffusion" 224 1 224 69 rr_1ih9 1
109 "12 GLN HA 12 GLN HG3 2.90 - spin diffusion" 227 1 227 69 rr_1ih9 1
110 "from 50" 228 1 228 8 rr_1ih9 1
111 "peak 416" 229 40 229 52 rr_1ih9 1
112 "peak 209" 230 40 230 52 rr_1ih9 1
113 "peak 208" 231 40 231 52 rr_1ih9 1
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 2 1 1 "Not handling restraint 1, item 1, resonance(s) ' .1.QA' (nmrStar names) not linked" rr_1ih9 1
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .1.QA' (nmrStar names) not linked" rr_1ih9 1
3 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .1.QA' (nmrStar names) not linked" rr_1ih9 1
4 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .1.QA' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1ih9 1
5 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .1.QA' (nmrStar names),' .5.QB2' (nmrStar names) not linked" rr_1ih9 1
6 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .1.QA' (nmrStar names),' .5.QG' (nmrStar names) not linked" rr_1ih9 1
7 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_1ih9 1
8 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ih9 1
9 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .2.HB3' (nmrStar names) not linked" rr_1ih9 1
10 2 15 1 "Not handling restraint 15, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_1ih9 1
11 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_1ih9 1
12 2 20 1 "Not handling restraint 20, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ih9 1
13 2 23 1 "Not handling restraint 23, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_1ih9 1
14 2 25 1 "Not handling restraint 25, item 1, resonance(s) ' .5.QG' (nmrStar names) not linked" rr_1ih9 1
15 2 26 1 "Not handling restraint 26, item 1, resonance(s) ' .5.HN' (nmrStar names),' .5.HB12' (nmrStar names) not linked" rr_1ih9 1
16 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .5.HN' (nmrStar names),' .5.QG' (nmrStar names) not linked" rr_1ih9 1
17 2 28 1 "Not handling restraint 28, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_1ih9 1
18 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ih9 1
19 2 30 1 "Not handling restraint 30, item 1, resonance(s) ' .5.HB12' (nmrStar names) not linked" rr_1ih9 1
20 2 31 1 "Not handling restraint 31, item 1, resonance(s) ' .5.HB12' (nmrStar names),' .8.QB1' (nmrStar names) not linked" rr_1ih9 1
21 2 32 1 "Not handling restraint 32, item 1, resonance(s) ' .5.HB13' (nmrStar names) not linked" rr_1ih9 1
22 2 33 1 "Not handling restraint 33, item 1, resonance(s) ' .5.QG' (nmrStar names) not linked" rr_1ih9 1
23 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .5.QG' (nmrStar names) not linked" rr_1ih9 1
24 2 41 1 "Not handling restraint 41, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ih9 1
25 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .8.QB1' (nmrStar names) not linked" rr_1ih9 1
26 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .8.QB1' (nmrStar names) not linked" rr_1ih9 1
27 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .8.QB1' (nmrStar names) not linked" rr_1ih9 1
28 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .8.QB1' (nmrStar names) not linked" rr_1ih9 1
29 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .8.QB2' (nmrStar names) not linked" rr_1ih9 1
30 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .8.QB2' (nmrStar names) not linked" rr_1ih9 1
31 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .12.HG3' (nmrStar names) not linked" rr_1ih9 1
32 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .12.HG3' (nmrStar names) not linked" rr_1ih9 1
33 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ih9 1
34 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ih9 1
35 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ih9 1
36 2 67 1 "Not handling restraint 67, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ih9 1
37 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ih9 1
38 2 69 1 "Not handling restraint 69, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" rr_1ih9 1
39 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" rr_1ih9 1
40 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .13.QB1' (nmrStar names) not linked" rr_1ih9 1
41 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .13.QB2' (nmrStar names) not linked" rr_1ih9 1
42 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .15.QB1' (nmrStar names) not linked" rr_1ih9 1
43 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .15.QB1' (nmrStar names) not linked" rr_1ih9 1
44 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .12.HG3' (nmrStar names) not linked" rr_1ih9 1
45 2 87 1 "Not handling restraint 87, item 1, resonance(s) ' .13.QB1' (nmrStar names) not linked" rr_1ih9 1
46 2 90 1 "Not handling restraint 90, item 1, resonance(s) ' .13.QB1' (nmrStar names) not linked" rr_1ih9 1
47 2 91 1 "Not handling restraint 91, item 1, resonance(s) ' .13.QB1' (nmrStar names) not linked" rr_1ih9 1
48 2 92 1 "Not handling restraint 92, item 1, resonance(s) ' .13.QB1' (nmrStar names) not linked" rr_1ih9 1
49 2 93 1 "Not handling restraint 93, item 1, resonance(s) ' .13.QB1' (nmrStar names),' .17.QD' (nmrStar names) not linked" rr_1ih9 1
50 2 94 1 "Not handling restraint 94, item 1, resonance(s) ' .13.QB2' (nmrStar names) not linked" rr_1ih9 1
51 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .15.QB1' (nmrStar names) not linked" rr_1ih9 1
52 2 99 1 "Not handling restraint 99, item 1, resonance(s) ' .15.QB1' (nmrStar names) not linked" rr_1ih9 1
53 2 101 1 "Not handling restraint 101, item 1, resonance(s) ' .16.HD3' (nmrStar names) not linked" rr_1ih9 1
54 2 102 1 "Not handling restraint 102, item 1, resonance(s) ' .15.QB1' (nmrStar names) not linked" rr_1ih9 1
55 2 103 1 "Not handling restraint 103, item 1, resonance(s) ' .15.QB1' (nmrStar names) not linked" rr_1ih9 1
56 2 104 1 "Not handling restraint 104, item 1, resonance(s) ' .15.QB1' (nmrStar names),' .16.HD3' (nmrStar names) not linked" rr_1ih9 1
57 2 105 1 "Not handling restraint 105, item 1, resonance(s) ' .15.QB1' (nmrStar names),' .17.QD' (nmrStar names) not linked" rr_1ih9 1
58 2 106 1 "Not handling restraint 106, item 1, resonance(s) ' .15.QB2' (nmrStar names),' .17.HN' (nmrStar names) not linked" rr_1ih9 1
59 2 107 1 "Not handling restraint 107, item 1, resonance(s) ' .17.HN' (nmrStar names) not linked" rr_1ih9 1
60 2 108 1 "Not handling restraint 108, item 1, resonance(s) ' .17.HN' (nmrStar names) not linked" rr_1ih9 1
61 2 110 1 "Not handling restraint 110, item 1, resonance(s) ' .17.QD' (nmrStar names) not linked" rr_1ih9 1
62 2 111 1 "Not handling restraint 111, item 1, resonance(s) ' .17.QE' (nmrStar names) not linked" rr_1ih9 1
63 2 112 1 "Not handling restraint 112, item 1, resonance(s) ' .17.QD' (nmrStar names),' .16.HB3' (nmrStar names) not linked" rr_1ih9 1
64 2 113 1 "Not handling restraint 113, item 1, resonance(s) ' .17.QE' (nmrStar names),' .16.HB3' (nmrStar names) not linked" rr_1ih9 1
65 2 114 1 "Not handling restraint 114, item 1, resonance(s) ' .17.QD' (nmrStar names) not linked" rr_1ih9 1
66 2 115 1 "Not handling restraint 115, item 1, resonance(s) ' .17.QE' (nmrStar names) not linked" rr_1ih9 1
67 2 116 1 "Not handling restraint 116, item 1, resonance(s) ' .17.HN' (nmrStar names),' .16.HG3' (nmrStar names) not linked" rr_1ih9 1
68 2 117 1 "Not handling restraint 117, item 1, resonance(s) ' .17.QD' (nmrStar names),' .16.HG3' (nmrStar names) not linked" rr_1ih9 1
69 2 118 1 "Not handling restraint 118, item 1, resonance(s) ' .17.QE' (nmrStar names),' .16.HG3' (nmrStar names) not linked" rr_1ih9 1
70 2 119 1 "Not handling restraint 119, item 1, resonance(s) ' .17.HN' (nmrStar names) not linked" rr_1ih9 1
71 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .17.QD' (nmrStar names) not linked" rr_1ih9 1
72 2 121 1 "Not handling restraint 121, item 1, resonance(s) ' .17.QE' (nmrStar names) not linked" rr_1ih9 1
73 2 122 1 "Not handling restraint 122, item 1, resonance(s) ' .16.HD3' (nmrStar names),' .17.QE' (nmrStar names) not linked" rr_1ih9 1
74 2 123 1 "Not handling restraint 123, item 1, resonance(s) ' .17.HN' (nmrStar names),' .17.HB2' (nmrStar names) not linked" rr_1ih9 1
75 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .17.HN' (nmrStar names),' .17.HB3' (nmrStar names) not linked" rr_1ih9 1
76 2 125 1 "Not handling restraint 125, item 1, resonance(s) ' .17.HB2' (nmrStar names) not linked" rr_1ih9 1
77 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .17.HB3' (nmrStar names) not linked" rr_1ih9 1
78 2 128 1 "Not handling restraint 128, item 1, resonance(s) ' .12.HG3' (nmrStar names) not linked" rr_1ih9 1
79 2 132 1 "Not handling restraint 132, item 1, resonance(s) ' .9.HB3' (nmrStar names) not linked" rr_1ih9 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_4
_Gen_dist_constraint_list.Entry_ID rr_1ih9
_Gen_dist_constraint_list.ID 3
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 4
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1ih9 2
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 2 2 TRP H H . . . 1 1 2 2 TRP HE3 H . . . . . . . 3.0 . . . . . A . 2 TRP HE3 . . A . 2 TRP H . . . 2 TRP HE3 . . . . . 2 TRP HN . . rr_1ih9 2
2 1 . . 1 1 3 3 ILE HB H . . . 1 1 4 4 GLN HE21 H . . . . . . . 3.0 . . . . . A . 3 ILE HB . . A . 4 GLN HE21 . . . 3 ILE HB . . . . . 4 GLN HE21 . . rr_1ih9 2
3 1 . . 1 1 16 16 PRO HB3 H . . . 1 1 17 17 PHL HZ H . . . . . . . 3.0 . . . . . A . 16 PRO HB3 . . A . 17 PHL HZ . . . 16 PRO HB2 . . . . . 17 PHE HZ . . rr_1ih9 2
4 1 . . 1 1 4 4 GLN HA H . . . 1 1 4 4 GLN HE21 H . . . . . . . 3.0 . . . . . A . 4 GLN HA . . A . 4 GLN HE21 . . . 4 GLN HA . . . . . 4 GLN HE21 . . rr_1ih9 2
5 1 . . 1 1 4 4 GLN HE21 H . . . 1 1 4 4 GLN HB3 H . . . . . . . 3.0 . . . . . A . 4 GLN HB3 . . A . 4 GLN HE21 . . . 4 GLN HB2 . . . . . 4 GLN HE21 . . rr_1ih9 2
6 1 . . 1 1 4 4 GLN H H . . . 1 1 4 4 GLN HE22 H . . . . . . . 3.0 . . . . . A . 4 GLN HE22 . . A . 4 GLN H . . . 4 GLN HE22 . . . . . 4 GLN HN . . rr_1ih9 2
7 1 . . 1 1 4 4 GLN H H . . . 1 1 4 4 GLN HE21 H . . . . . . . 3.0 . . . . . A . 4 GLN HE21 . . A . 4 GLN H . . . 4 GLN HE21 . . . . . 4 GLN HN . . rr_1ih9 2
8 1 . . 1 1 9 9 LEU HA H . . . 1 1 12 12 GLN HE22 H . . . . . . . 3.0 . . . . . A . 9 LEU HA . . A . 12 GLN HE22 . . . 9 LEU HA . . . . . 12 GLN HE22 . . rr_1ih9 2
9 1 . . 1 1 9 9 LEU HB3 H . . . 1 1 12 12 GLN HE22 H . . . . . . . 3.0 . . . . . A . 9 LEU HB3 . . A . 12 GLN HE22 . . . 9 LEU HB2 . . . . . 12 GLN HE22 . . rr_1ih9 2
10 1 . . 1 1 9 9 LEU HG H . . . 1 1 12 12 GLN HE22 H . . . . . . . 3.0 . . . . . A . 9 LEU HG . . A . 12 GLN HE22 . . . 9 LEU HG . . . . . 12 GLN HE22 . . rr_1ih9 2
11 1 . . 1 1 9 9 LEU MD1 H . . . 1 1 12 12 GLN HE22 H . . . . . . . 3.0 . . . . . A . 9 LEU MD1 . . A . 12 GLN HE22 . . . 9 LEU QD1 . . . . . 12 GLN HE22 . . rr_1ih9 2
12 1 . . 1 1 9 9 LEU MD1 H . . . 1 1 12 12 GLN HE21 H . . . . . . . 3.0 . . . . . A . 9 LEU MD1 . . A . 12 GLN HE21 . . . 9 LEU QD1 . . . . . 12 GLN HE21 . . rr_1ih9 2
13 1 . . 1 1 12 12 GLN HE22 H . . . 1 1 12 12 GLN HB3 H . . . . . . . 3.0 . . . . . A . 12 GLN HB3 . . A . 12 GLN HE22 . . . 12 GLN HB2 . . . . . 12 GLN HE22 . . rr_1ih9 2
14 1 . . 1 1 12 12 GLN HE21 H . . . 1 1 12 12 GLN HB3 H . . . . . . . 3.0 . . . . . A . 12 GLN HB3 . . A . 12 GLN HE21 . . . 12 GLN HB2 . . . . . 12 GLN HE21 . . rr_1ih9 2
15 1 . . 1 1 12 12 GLN HG3 H . . . 1 1 12 12 GLN HE22 H . . . . . . . 3.0 . . . . . A . 12 GLN HG3 . . A . 12 GLN HE22 . . . 12 GLN HG2 . . . . . 12 GLN HE22 . . rr_1ih9 2
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "Lol restraints, for peaks expexted but not presented in spectra" 1 1 1 64 rr_1ih9 2
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 4 3 1 "Not handling restraint 3, item 1, resonance(s) ' .2.HB3' (nmrStar names) not linked" rr_1ih9 2
2 4 4 1 "Not handling restraint 4, item 1, resonance(s) ' .2.HB3' (nmrStar names),' .3.HG13' (nmrStar names) not linked" rr_1ih9 2
3 4 8 1 "Not handling restraint 8, item 1, resonance(s) ' .4.HB3' (nmrStar names) not linked" rr_1ih9 2
4 4 11 1 "Not handling restraint 11, item 1, resonance(s) ' .5.HB12' (nmrStar names) not linked" rr_1ih9 2
5 4 12 1 "Not handling restraint 12, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ih9 2
6 4 15 1 "Not handling restraint 15, item 1, resonance(s) ' .9.HB3' (nmrStar names) not linked" rr_1ih9 2
7 4 16 1 "Not handling restraint 16, item 1, resonance(s) ' .5.HB12' (nmrStar names) not linked" rr_1ih9 2
8 4 22 1 "Not handling restraint 22, item 1, resonance(s) ' .12.HB3' (nmrStar names) not linked" rr_1ih9 2
9 4 23 1 "Not handling restraint 23, item 1, resonance(s) ' .12.HB3' (nmrStar names) not linked" rr_1ih9 2
10 4 25 1 "Not handling restraint 25, item 1, resonance(s) ' .16.HD3' (nmrStar names),' .12.HB3' (nmrStar names) not linked" rr_1ih9 2
11 4 26 1 "Not handling restraint 26, item 1, resonance(s) ' .16.HD3' (nmrStar names) not linked" rr_1ih9 2
12 4 27 1 "Not handling restraint 27, item 1, resonance(s) ' .16.HD3' (nmrStar names) not linked" rr_1ih9 2
13 4 28 1 "Not handling restraint 28, item 1, resonance(s) ' .12.HG3' (nmrStar names),' .16.HD3' (nmrStar names) not linked" rr_1ih9 2
14 4 29 1 "Not handling restraint 29, item 1, resonance(s) ' .1.QA' (nmrStar names) not linked" rr_1ih9 2
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_1ih9
_Gen_dist_constraint_list.ID 2
_Gen_dist_constraint_list.Constraint_type "hydrogen bond"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 3
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1ih9 3
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 6 6 ILE H H . . . 1 1 2 2 TRP O O . . . . . . . 2.30 . . . . . A . 2 TRP O . . A . 6 ILE H . . . 2 TRP O . . . . . 6 ILE HN . . rr_1ih9 3
2 1 . . 1 1 6 6 ILE H H . . . 1 1 2 2 TRP C C . . . . . . . 3.52 . . . . . A . 2 TRP C . . A . 6 ILE H . . . 2 TRP C . . . . . 6 ILE HN . . rr_1ih9 3
3 1 . . 1 1 2 2 TRP O O . . . 1 1 6 6 ILE N N . . . . . . . 3.30 . . . . . A . 2 TRP O . . A . 6 ILE N . . . 2 TRP O . . . . . 6 ILE N . . rr_1ih9 3
4 1 . . 1 1 7 7 THR H H . . . 1 1 3 3 ILE O O . . . . . . . 2.30 . . . . . A . 3 ILE O . . A . 7 THR H . . . 3 ILE O . . . . . 7 THR HN . . rr_1ih9 3
5 1 . . 1 1 7 7 THR H H . . . 1 1 3 3 ILE C C . . . . . . . 3.52 . . . . . A . 3 ILE C . . A . 7 THR H . . . 3 ILE C . . . . . 7 THR HN . . rr_1ih9 3
6 1 . . 1 1 3 3 ILE O O . . . 1 1 7 7 THR N N . . . . . . . 3.30 . . . . . A . 3 ILE O . . A . 7 THR N . . . 3 ILE O . . . . . 7 THR N . . rr_1ih9 3
7 1 . . 1 1 8 8 ABA H H . . . 1 1 4 4 GLN O O . . . . . . . 2.30 . . . . . A . 4 GLN O . . A . 8 AIB H . . . 4 GLN O . . . . . 8 AIB HN . . rr_1ih9 3
8 1 . . 1 1 8 8 ABA H H . . . 1 1 4 4 GLN C C . . . . . . . 3.52 . . . . . A . 4 GLN C . . A . 8 AIB H . . . 4 GLN C . . . . . 8 AIB HN . . rr_1ih9 3
9 1 . . 1 1 4 4 GLN O O . . . 1 1 8 8 ABA N N . . . . . . . 3.30 . . . . . A . 4 GLN O . . A . 8 AIB N . . . 4 GLN O . . . . . 8 AIB N . . rr_1ih9 3
10 1 . . 1 1 10 10 ABA H H . . . 1 1 7 7 THR O O . . . . . . . 2.40 . . . . . A . 7 THR O . . A . 10 AIB H . . . 7 THR O . . . . . 10 AIB HN . . rr_1ih9 3
11 1 . . 1 1 10 10 ABA H H . . . 1 1 7 7 THR C C . . . . . . . 3.52 . . . . . A . 7 THR C . . A . 10 AIB H . . . 7 THR C . . . . . 10 AIB HN . . rr_1ih9 3
12 1 . . 1 1 7 7 THR O O . . . 1 1 10 10 ABA N N . . . . . . . 3.39 . . . . . A . 7 THR O . . A . 10 AIB N . . . 7 THR O . . . . . 10 AIB N . . rr_1ih9 3
13 1 . . 1 1 12 12 GLN H H . . . 1 1 9 9 LEU O O . . . . . . . 2.40 . . . . . A . 9 LEU O . . A . 12 GLN H . . . 9 LEU O . . . . . 12 GLN HN . . rr_1ih9 3
14 1 . . 1 1 12 12 GLN H H . . . 1 1 9 9 LEU C C . . . . . . . 3.52 . . . . . A . 9 LEU C . . A . 12 GLN H . . . 9 LEU C . . . . . 12 GLN HN . . rr_1ih9 3
15 1 . . 1 1 9 9 LEU O O . . . 1 1 12 12 GLN N N . . . . . . . 3.39 . . . . . A . 9 LEU O . . A . 12 GLN N . . . 9 LEU O . . . . . 12 GLN N . . rr_1ih9 3
16 1 . . 1 1 13 13 ABA H H . . . 1 1 10 10 ABA O O . . . . . . . 2.40 . . . . . A . 10 AIB O . . A . 13 AIB H . . . 10 AIB O . . . . . 13 AIB HN . . rr_1ih9 3
17 1 . . 1 1 13 13 ABA H H . . . 1 1 10 10 ABA C C . . . . . . . 3.52 . . . . . A . 10 AIB C . . A . 13 AIB H . . . 10 AIB C . . . . . 13 AIB HN . . rr_1ih9 3
18 1 . . 1 1 10 10 ABA O O . . . 1 1 13 13 ABA N N . . . . . . . 3.39 . . . . . A . 10 AIB O . . A . 13 AIB N . . . 10 AIB O . . . . . 13 AIB N . . rr_1ih9 3
19 1 . . 1 1 15 15 ABA H H . . . 1 1 11 11 HYP O O . . . . . . . 2.30 . . . . . A . 11 HYP O . . A . 15 AIB H . . . 11 HYP O . . . . . 15 AIB HN . . rr_1ih9 3
20 1 . . 1 1 15 15 ABA H H . . . 1 1 11 11 HYP C C . . . . . . . 3.52 . . . . . A . 11 HYP C . . A . 15 AIB H . . . 11 HYP C . . . . . 15 AIB HN . . rr_1ih9 3
21 1 . . 1 1 11 11 HYP O O . . . 1 1 15 15 ABA N N . . . . . . . 3.30 . . . . . A . 11 HYP O . . A . 15 AIB N . . . 11 HYP O . . . . . 15 AIB N . . rr_1ih9 3
22 1 . . 1 1 13 13 ABA O O . . . 1 1 17 17 PHL N N . . . . . . . 3.30 . . . . . A . 13 AIB O . . A . 17 PHL N . . . 13 AIB O . . . . . 17 PHE N . . rr_1ih9 3
23 1 . . 1 1 6 6 ILE H H . . . 1 1 2 2 TRP O O . . . . . . . 1.80 . . . . . A . 2 TRP O . . A . 6 ILE H . . . 2 TRP O . . . . . 6 ILE HN . . rr_1ih9 3
24 1 . . 1 1 6 6 ILE H H . . . 1 1 2 2 TRP C C . . . . . . . 2.64 . . . . . A . 2 TRP C . . A . 6 ILE H . . . 2 TRP C . . . . . 6 ILE HN . . rr_1ih9 3
25 1 . . 1 1 2 2 TRP O O . . . 1 1 6 6 ILE N N . . . . . . . 2.56 . . . . . A . 2 TRP O . . A . 6 ILE N . . . 2 TRP O . . . . . 6 ILE N . . rr_1ih9 3
26 1 . . 1 1 7 7 THR H H . . . 1 1 3 3 ILE O O . . . . . . . 1.80 . . . . . A . 3 ILE O . . A . 7 THR H . . . 3 ILE O . . . . . 7 THR HN . . rr_1ih9 3
27 1 . . 1 1 7 7 THR H H . . . 1 1 3 3 ILE C C . . . . . . . 2.64 . . . . . A . 3 ILE C . . A . 7 THR H . . . 3 ILE C . . . . . 7 THR HN . . rr_1ih9 3
28 1 . . 1 1 3 3 ILE O O . . . 1 1 7 7 THR N N . . . . . . . 2.56 . . . . . A . 3 ILE O . . A . 7 THR N . . . 3 ILE O . . . . . 7 THR N . . rr_1ih9 3
29 1 . . 1 1 8 8 ABA H H . . . 1 1 4 4 GLN O O . . . . . . . 1.80 . . . . . A . 4 GLN O . . A . 8 AIB H . . . 4 GLN O . . . . . 8 AIB HN . . rr_1ih9 3
30 1 . . 1 1 8 8 ABA H H . . . 1 1 4 4 GLN C C . . . . . . . 2.64 . . . . . A . 4 GLN C . . A . 8 AIB H . . . 4 GLN C . . . . . 8 AIB HN . . rr_1ih9 3
31 1 . . 1 1 4 4 GLN O O . . . 1 1 8 8 ABA N N . . . . . . . 2.56 . . . . . A . 4 GLN O . . A . 8 AIB N . . . 4 GLN O . . . . . 8 AIB N . . rr_1ih9 3
32 1 . . 1 1 10 10 ABA H H . . . 1 1 7 7 THR O O . . . . . . . 1.90 . . . . . A . 7 THR O . . A . 10 AIB H . . . 7 THR O . . . . . 10 AIB HN . . rr_1ih9 3
33 1 . . 1 1 10 10 ABA H H . . . 1 1 7 7 THR C C . . . . . . . 2.26 . . . . . A . 7 THR C . . A . 10 AIB H . . . 7 THR C . . . . . 10 AIB HN . . rr_1ih9 3
34 1 . . 1 1 7 7 THR O O . . . 1 1 10 10 ABA N N . . . . . . . 2.66 . . . . . A . 7 THR O . . A . 10 AIB N . . . 7 THR O . . . . . 10 AIB N . . rr_1ih9 3
35 1 . . 1 1 12 12 GLN H H . . . 1 1 9 9 LEU O O . . . . . . . 1.90 . . . . . A . 9 LEU O . . A . 12 GLN H . . . 9 LEU O . . . . . 12 GLN HN . . rr_1ih9 3
36 1 . . 1 1 12 12 GLN H H . . . 1 1 9 9 LEU C C . . . . . . . 2.26 . . . . . A . 9 LEU C . . A . 12 GLN H . . . 9 LEU C . . . . . 12 GLN HN . . rr_1ih9 3
37 1 . . 1 1 9 9 LEU O O . . . 1 1 12 12 GLN N N . . . . . . . 2.66 . . . . . A . 9 LEU O . . A . 12 GLN N . . . 9 LEU O . . . . . 12 GLN N . . rr_1ih9 3
38 1 . . 1 1 13 13 ABA H H . . . 1 1 10 10 ABA O O . . . . . . . 1.90 . . . . . A . 10 AIB O . . A . 13 AIB H . . . 10 AIB O . . . . . 13 AIB HN . . rr_1ih9 3
39 1 . . 1 1 13 13 ABA H H . . . 1 1 10 10 ABA C C . . . . . . . 2.26 . . . . . A . 10 AIB C . . A . 13 AIB H . . . 10 AIB C . . . . . 13 AIB HN . . rr_1ih9 3
40 1 . . 1 1 10 10 ABA O O . . . 1 1 13 13 ABA N N . . . . . . . 2.66 . . . . . A . 10 AIB O . . A . 13 AIB N . . . 10 AIB O . . . . . 13 AIB N . . rr_1ih9 3
41 1 . . 1 1 15 15 ABA H H . . . 1 1 11 11 HYP O O . . . . . . . 1.80 . . . . . A . 11 HYP O . . A . 15 AIB H . . . 11 HYP O . . . . . 15 AIB HN . . rr_1ih9 3
42 1 . . 1 1 15 15 ABA H H . . . 1 1 11 11 HYP C C . . . . . . . 2.64 . . . . . A . 11 HYP C . . A . 15 AIB H . . . 11 HYP C . . . . . 15 AIB HN . . rr_1ih9 3
43 1 . . 1 1 11 11 HYP O O . . . 1 1 15 15 ABA N N . . . . . . . 2.56 . . . . . A . 11 HYP O . . A . 15 AIB N . . . 11 HYP O . . . . . 15 AIB N . . rr_1ih9 3
44 1 . . 1 1 13 13 ABA O O . . . 1 1 17 17 PHL N N . . . . . . . 2.56 . . . . . A . 13 AIB O . . A . 17 PHL N . . . 13 AIB O . . . . . 17 PHE N . . rr_1ih9 3
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "Upl restraints for hydrogen bonds" 1 1 1 34 rr_1ih9 3
2 "HN5 alpha" 2 1 2 10 rr_1ih9 3
3 "HN6 alpha" 7 1 7 10 rr_1ih9 3
4 "HN7 alpha" 12 1 12 10 rr_1ih9 3
5 "HN8 alpha" 17 1 17 10 rr_1ih9 3
6 "HN9 alpha" 22 1 22 10 rr_1ih9 3
7 HN10 27 1 27 5 rr_1ih9 3
8 "3-10 not bifurcated" 28 1 28 20 rr_1ih9 3
9 HN12 33 1 33 5 rr_1ih9 3
10 "3-10 not bifurcated" 34 1 34 20 rr_1ih9 3
11 HN13 39 1 39 5 rr_1ih9 3
12 "3-10 not bifurcated" 40 1 40 20 rr_1ih9 3
13 "HN15 alpha" 45 1 45 11 rr_1ih9 3
14 "HN17 alpha" 50 1 50 11 rr_1ih9 3
15 "Lol restraints for hydrogen bonds" 56 1 56 34 rr_1ih9 3
16 "Recomended constraint for restriction 5->1 bonds:" 57 1 57 50 rr_1ih9 3
17 "min_H-O 1.80 max_H-O 2.30 min_N-O 2.56 max_N-O 3.30 min_H-C 2.64 max_H-C 3.52" 58 1 58 83 rr_1ih9 3
18 "Recomended constraint for restriction 4->1 bonds:" 59 1 59 50 rr_1ih9 3
19 "min_H-O 1.90 max_H-O 2.40 min_N-O 2.66 max_N-O 3.39 min_H-C 2.26 max_H-C 3.52" 60 1 60 83 rr_1ih9 3
20 "Recomended constraint for restriction bifurcated 4->1 bonds:" 61 1 61 61 rr_1ih9 3
21 "min_H-O 1.90 max_H-O 2.50 min_N-O 2.43 max_N-O 3.49 min_H-C 2.26 max_H-C 3.62" 62 1 62 83 rr_1ih9 3
22 "HN5 alpa" 64 1 64 9 rr_1ih9 3
23 "HN6 alpha" 69 1 69 10 rr_1ih9 3
24 "HN7 alpha" 74 1 74 10 rr_1ih9 3
25 "HN8 alpha" 79 1 79 10 rr_1ih9 3
26 "HN9 alpha" 84 1 84 10 rr_1ih9 3
27 HN10 89 1 89 5 rr_1ih9 3
28 "3-10 not bifurcated" 90 1 90 20 rr_1ih9 3
29 HN12 95 1 95 5 rr_1ih9 3
30 "3-10 not bifurcated" 96 1 96 20 rr_1ih9 3
31 HN13 101 1 101 5 rr_1ih9 3
32 "3-10 not bifurcated" 102 1 102 20 rr_1ih9 3
33 "HN15 alpha" 107 1 107 11 rr_1ih9 3
34 "HN17 alpha" 112 1 112 11 rr_1ih9 3
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 3 1 1 "Not handling restraint 1, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_1ih9 3
2 3 2 1 "Not handling restraint 2, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_1ih9 3
3 3 3 1 "Not handling restraint 3, item 1, resonance(s) ' .5.N' (nmrStar names) not linked" rr_1ih9 3
4 3 13 1 "Not handling restraint 13, item 1, resonance(s) ' .5.O' (nmrStar names) not linked" rr_1ih9 3
5 3 14 1 "Not handling restraint 14, item 1, resonance(s) ' .5.C' (nmrStar names) not linked" rr_1ih9 3
6 3 15 1 "Not handling restraint 15, item 1, resonance(s) ' .5.O' (nmrStar names) not linked" rr_1ih9 3
7 3 28 1 "Not handling restraint 28, item 1, resonance(s) ' .17.HN' (nmrStar names) not linked" rr_1ih9 3
8 3 29 1 "Not handling restraint 29, item 1, resonance(s) ' .17.HN' (nmrStar names) not linked" rr_1ih9 3
9 3 31 1 "Not handling restraint 31, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_1ih9 3
10 3 32 1 "Not handling restraint 32, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_1ih9 3
11 3 33 1 "Not handling restraint 33, item 1, resonance(s) ' .5.N' (nmrStar names) not linked" rr_1ih9 3
12 3 43 1 "Not handling restraint 43, item 1, resonance(s) ' .5.O' (nmrStar names) not linked" rr_1ih9 3
13 3 44 1 "Not handling restraint 44, item 1, resonance(s) ' .5.C' (nmrStar names) not linked" rr_1ih9 3
14 3 45 1 "Not handling restraint 45, item 1, resonance(s) ' .5.O' (nmrStar names) not linked" rr_1ih9 3
15 3 58 1 "Not handling restraint 58, item 1, resonance(s) ' .17.HN' (nmrStar names) not linked" rr_1ih9 3
16 3 59 1 "Not handling restraint 59, item 1, resonance(s) ' .17.HN' (nmrStar names) not linked" rr_1ih9 3
stop_
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_1ih9
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1ih9 1
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1ih9 1
2 1 . . . rr_1ih9 1
3 1 . . . rr_1ih9 1
4 1 . . . rr_1ih9 1
5 1 . . . rr_1ih9 1
6 1 . . . rr_1ih9 1
7 1 . . . rr_1ih9 1
8 1 . . . rr_1ih9 1
9 1 . . . rr_1ih9 1
10 1 . . . rr_1ih9 1
11 1 . . . rr_1ih9 1
12 1 . . . rr_1ih9 1
13 1 . . . rr_1ih9 1
14 1 . . . rr_1ih9 1
15 1 . . . rr_1ih9 1
16 1 . . . rr_1ih9 1
17 1 . . . rr_1ih9 1
18 1 . . . rr_1ih9 1
19 1 . . . rr_1ih9 1
20 1 . . . rr_1ih9 1
21 1 . . . rr_1ih9 1
22 1 . . . rr_1ih9 1
23 1 . . . rr_1ih9 1
24 1 . . . rr_1ih9 1
25 1 . . . rr_1ih9 1
26 1 . . . rr_1ih9 1
27 1 . . . rr_1ih9 1
28 1 2 . OR rr_1ih9 1
28 2 . 3 . rr_1ih9 1
28 3 . . . rr_1ih9 1
29 1 . . . rr_1ih9 1
30 1 . . . rr_1ih9 1
31 1 . . . rr_1ih9 1
32 1 . . . rr_1ih9 1
33 1 . . . rr_1ih9 1
34 1 . . . rr_1ih9 1
35 1 . . . rr_1ih9 1
36 1 . . . rr_1ih9 1
37 1 . . . rr_1ih9 1
38 1 . . . rr_1ih9 1
39 1 . . . rr_1ih9 1
40 1 2 . OR rr_1ih9 1
40 2 . 3 . rr_1ih9 1
40 3 . . . rr_1ih9 1
41 1 . . . rr_1ih9 1
42 1 . . . rr_1ih9 1
43 1 . . . rr_1ih9 1
44 1 . . . rr_1ih9 1
45 1 . . . rr_1ih9 1
46 1 . . . rr_1ih9 1
47 1 . . . rr_1ih9 1
48 1 . . . rr_1ih9 1
49 1 . . . rr_1ih9 1
50 1 2 . OR rr_1ih9 1
50 2 . 3 . rr_1ih9 1
50 3 . . . rr_1ih9 1
51 1 . . . rr_1ih9 1
52 1 . . . rr_1ih9 1
53 1 . . . rr_1ih9 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 2 2 TRP H H . . . . 2 TRP HN rr_1ih9 1
1 1 . 2 . 1 1 2 2 TRP CB C . . . . 2 TRP CB rr_1ih9 1
2 1 . 1 . 1 1 2 2 TRP H H . . . . 2 TRP HN rr_1ih9 1
2 1 . 2 . 1 1 3 3 ILE H H . . . . 3 ILE HN rr_1ih9 1
3 1 . 1 . 1 1 2 2 TRP HB3 H . . . . 2 TRP HB2 rr_1ih9 1
3 1 . 2 . 1 1 3 3 ILE H H . . . . 3 ILE HN rr_1ih9 1
4 1 . 1 . 1 1 2 2 TRP CB C . . . . 2 TRP CB rr_1ih9 1
4 1 . 2 . 1 1 3 3 ILE H H . . . . 3 ILE HN rr_1ih9 1
5 1 . 1 . 1 1 3 3 ILE H H . . . . 3 ILE HN rr_1ih9 1
5 1 . 2 . 1 1 4 4 GLN H H . . . . 4 GLN HN rr_1ih9 1
6 1 . 1 . 1 1 3 3 ILE HA H . . . . 3 ILE HA rr_1ih9 1
6 1 . 2 . 1 1 6 6 ILE H H . . . . 6 ILE HN rr_1ih9 1
7 1 . 1 . 1 1 3 3 ILE HA H . . . . 3 ILE HA rr_1ih9 1
7 1 . 2 . 1 1 6 6 ILE HB H . . . . 6 ILE HB rr_1ih9 1
8 1 . 1 . 1 1 4 4 GLN H H . . . . 4 GLN HN rr_1ih9 1
8 1 . 2 . 1 1 4 4 GLN CB C . . . . 4 GLN CB rr_1ih9 1
9 1 . 1 . 1 1 4 4 GLN HA H . . . . 4 GLN HA rr_1ih9 1
9 1 . 2 . 1 1 7 7 THR H H . . . . 7 THR HN rr_1ih9 1
10 1 . 1 . 1 1 4 4 GLN HA H . . . . 4 GLN HA rr_1ih9 1
10 1 . 2 . 1 1 8 8 ABA H H . . . . 8 AIB HN rr_1ih9 1
11 1 . 1 . 1 1 4 4 GLN CB C . . . . 4 GLN CB rr_1ih9 1
11 1 . 2 . 1 1 8 8 ABA H H . . . . 8 AIB HN rr_1ih9 1
12 1 . 1 . 1 1 6 6 ILE H H . . . . 6 ILE HN rr_1ih9 1
12 1 . 2 . 1 1 7 7 THR H H . . . . 7 THR HN rr_1ih9 1
13 1 . 1 . 1 1 6 6 ILE HA H . . . . 6 ILE HA rr_1ih9 1
13 1 . 2 . 1 1 9 9 LEU H H . . . . 9 LEU HN rr_1ih9 1
14 1 . 1 . 1 1 6 6 ILE HA H . . . . 6 ILE HA rr_1ih9 1
14 1 . 2 . 1 1 9 9 LEU MD1 H . . . . 9 LEU QD1 rr_1ih9 1
15 1 . 1 . 1 1 7 7 THR H H . . . . 7 THR HN rr_1ih9 1
15 1 . 2 . 1 1 8 8 ABA H H . . . . 8 AIB HN rr_1ih9 1
16 1 . 1 . 1 1 7 7 THR HA H . . . . 7 THR HA rr_1ih9 1
16 1 . 2 . 1 1 8 8 ABA H H . . . . 8 AIB HN rr_1ih9 1
17 1 . 1 . 1 1 7 7 THR HA H . . . . 7 THR HA rr_1ih9 1
17 1 . 2 . 1 1 9 9 LEU H H . . . . 9 LEU HN rr_1ih9 1
18 1 . 1 . 1 1 7 7 THR HB H . . . . 7 THR HB rr_1ih9 1
18 1 . 2 . 1 1 8 8 ABA H H . . . . 8 AIB HN rr_1ih9 1
19 1 . 1 . 1 1 8 8 ABA H H . . . . 8 AIB HN rr_1ih9 1
19 1 . 2 . 1 1 9 9 LEU H H . . . . 9 LEU HN rr_1ih9 1
20 1 . 1 . 1 1 9 9 LEU H H . . . . 9 LEU HN rr_1ih9 1
20 1 . 2 . 1 1 9 9 LEU HG H . . . . 9 LEU HG rr_1ih9 1
21 1 . 1 . 1 1 9 9 LEU H H . . . . 9 LEU HN rr_1ih9 1
21 1 . 2 . 1 1 9 9 LEU MD1 H . . . . 9 LEU QD1 rr_1ih9 1
22 1 . 1 . 1 1 9 9 LEU H H . . . . 9 LEU HN rr_1ih9 1
22 1 . 2 . 1 1 9 9 LEU MD2 H . . . . 9 LEU QD2 rr_1ih9 1
23 1 . 1 . 1 1 9 9 LEU H H . . . . 9 LEU HN rr_1ih9 1
23 1 . 2 . 1 1 10 10 ABA H H . . . . 10 AIB HN rr_1ih9 1
24 1 . 1 . 1 1 9 9 LEU HA H . . . . 9 LEU HA rr_1ih9 1
24 1 . 2 . 1 1 9 9 LEU HG H . . . . 9 LEU HG rr_1ih9 1
25 1 . 1 . 1 1 9 9 LEU HA H . . . . 9 LEU HA rr_1ih9 1
25 1 . 2 . 1 1 9 9 LEU MD1 H . . . . 9 LEU QD1 rr_1ih9 1
26 1 . 1 . 1 1 9 9 LEU HA H . . . . 9 LEU HA rr_1ih9 1
26 1 . 2 . 1 1 9 9 LEU MD2 H . . . . 9 LEU QD2 rr_1ih9 1
27 1 . 1 . 1 1 9 9 LEU HA H . . . . 9 LEU HA rr_1ih9 1
27 1 . 2 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1ih9 1
28 2 . 1 . 1 1 9 9 LEU HA H . . . . 9 LEU HA rr_1ih9 1
28 2 . 2 . 1 1 12 12 GLN HB3 H . . . . 12 GLN QB rr_1ih9 1
28 3 . 1 . 1 1 9 9 LEU HA H . . . . 9 LEU HA rr_1ih9 1
28 3 . 2 . 1 1 12 12 GLN HB2 H . . . . 12 GLN QB rr_1ih9 1
29 1 . 1 . 1 1 9 9 LEU HB3 H . . . . 9 LEU HB2 rr_1ih9 1
29 1 . 2 . 1 1 10 10 ABA H H . . . . 10 AIB HN rr_1ih9 1
30 1 . 1 . 1 1 10 10 ABA H H . . . . 10 AIB HN rr_1ih9 1
30 1 . 2 . 1 1 11 11 HYP HD22 H . . . . 11 HYP HD22 rr_1ih9 1
31 1 . 1 . 1 1 10 10 ABA H H . . . . 10 AIB HN rr_1ih9 1
31 1 . 2 . 1 1 11 11 HYP HD23 H . . . . 11 HYP HD23 rr_1ih9 1
32 1 . 1 . 1 1 11 11 HYP HD23 H . . . . 11 HYP HD23 rr_1ih9 1
32 1 . 2 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1ih9 1
33 1 . 1 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1ih9 1
33 1 . 2 . 1 1 13 13 ABA H H . . . . 13 AIB HN rr_1ih9 1
34 1 . 1 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1ih9 1
34 1 . 2 . 1 1 14 14 HYP HD22 H . . . . 14 HYP HD22 rr_1ih9 1
35 1 . 1 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1ih9 1
35 1 . 2 . 1 1 14 14 HYP HD23 H . . . . 14 HYP HD23 rr_1ih9 1
36 1 . 1 . 1 1 12 12 GLN HA H . . . . 12 GLN HA rr_1ih9 1
36 1 . 2 . 1 1 13 13 ABA H H . . . . 13 AIB HN rr_1ih9 1
37 1 . 1 . 1 1 12 12 GLN HA H . . . . 12 GLN HA rr_1ih9 1
37 1 . 2 . 1 1 14 14 HYP HD22 H . . . . 14 HYP HD22 rr_1ih9 1
38 1 . 1 . 1 1 12 12 GLN HA H . . . . 12 GLN HA rr_1ih9 1
38 1 . 2 . 1 1 14 14 HYP HD23 H . . . . 14 HYP HD23 rr_1ih9 1
39 1 . 1 . 1 1 12 12 GLN HA H . . . . 12 GLN HA rr_1ih9 1
39 1 . 2 . 1 1 15 15 ABA H H . . . . 15 AIB HN rr_1ih9 1
40 2 . 1 . 1 1 12 12 GLN HB3 H . . . . 12 GLN QB rr_1ih9 1
40 2 . 2 . 1 1 15 15 ABA H H . . . . 15 AIB HN rr_1ih9 1
40 3 . 1 . 1 1 12 12 GLN HB2 H . . . . 12 GLN QB rr_1ih9 1
40 3 . 2 . 1 1 15 15 ABA H H . . . . 15 AIB HN rr_1ih9 1
41 1 . 1 . 1 1 12 12 GLN HG3 H . . . . 12 GLN HG2 rr_1ih9 1
41 1 . 2 . 1 1 13 13 ABA H H . . . . 13 AIB HN rr_1ih9 1
42 1 . 1 . 1 1 12 12 GLN HG3 H . . . . 12 GLN HG2 rr_1ih9 1
42 1 . 2 . 1 1 15 15 ABA H H . . . . 15 AIB HN rr_1ih9 1
43 1 . 1 . 1 1 13 13 ABA H H . . . . 13 AIB HN rr_1ih9 1
43 1 . 2 . 1 1 14 14 HYP HD22 H . . . . 14 HYP HD22 rr_1ih9 1
44 1 . 1 . 1 1 13 13 ABA H H . . . . 13 AIB HN rr_1ih9 1
44 1 . 2 . 1 1 14 14 HYP HD23 H . . . . 14 HYP HD23 rr_1ih9 1
45 1 . 1 . 1 1 14 14 HYP HB3 H . . . . 14 HYP HB2 rr_1ih9 1
45 1 . 2 . 1 1 15 15 ABA H H . . . . 15 AIB HN rr_1ih9 1
46 1 . 1 . 1 1 14 14 HYP HD22 H . . . . 14 HYP HD22 rr_1ih9 1
46 1 . 2 . 1 1 15 15 ABA H H . . . . 15 AIB HN rr_1ih9 1
47 1 . 1 . 1 1 14 14 HYP HD23 H . . . . 14 HYP HD23 rr_1ih9 1
47 1 . 2 . 1 1 15 15 ABA H H . . . . 15 AIB HN rr_1ih9 1
48 1 . 1 . 1 1 15 15 ABA H H . . . . 15 AIB HN rr_1ih9 1
48 1 . 2 . 1 1 16 16 PRO HD3 H . . . . 16 PRO HD2 rr_1ih9 1
49 1 . 1 . 1 1 16 16 PRO HB3 H . . . . 16 PRO HB2 rr_1ih9 1
49 1 . 2 . 1 1 17 17 PHL HA H . . . . 17 PHE HA rr_1ih9 1
50 2 . 1 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1ih9 1
50 2 . 2 . 1 1 12 12 GLN HB3 H . . . . 12 GLN QB rr_1ih9 1
50 3 . 1 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1ih9 1
50 3 . 2 . 1 1 12 12 GLN HB2 H . . . . 12 GLN QB rr_1ih9 1
51 1 . 1 . 1 1 12 12 GLN HA H . . . . 12 GLN HA rr_1ih9 1
51 1 . 2 . 1 1 12 12 GLN HG3 H . . . . 12 GLN HG2 rr_1ih9 1
52 1 . 1 . 1 1 9 9 LEU H H . . . . 9 LEU HN rr_1ih9 1
52 1 . 2 . 1 1 9 9 LEU HB3 H . . . . 9 LEU HB2 rr_1ih9 1
53 1 . 1 . 1 1 9 9 LEU HA H . . . . 9 LEU HA rr_1ih9 1
53 1 . 2 . 1 1 9 9 LEU HB3 H . . . . 9 LEU HB2 rr_1ih9 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . . 3.14 rr_1ih9 1
2 1 . . . . . . . . 3.14 rr_1ih9 1
3 1 . . . . . . . . 3.95 rr_1ih9 1
4 1 . . . . . . . . 3.68 rr_1ih9 1
5 1 . . . . . . . . 3.08 rr_1ih9 1
6 1 . . . . . . . . 3.73 rr_1ih9 1
7 1 . . . . . . . . 3.05 rr_1ih9 1
8 1 . . . . . . . . 3.02 rr_1ih9 1
9 1 . . . . . . . . 3.55 rr_1ih9 1
10 1 . . . . . . . . 4.07 rr_1ih9 1
11 1 . . . . . . . . 5.34 rr_1ih9 1
12 1 . . . . . . . . 3.14 rr_1ih9 1
13 1 . . . . . . . . 3.64 rr_1ih9 1
14 1 . . . . . . . . 5.04 rr_1ih9 1
15 1 . . . . . . . . 3.08 rr_1ih9 1
16 1 . . . . . . . . 3.55 rr_1ih9 1
17 1 . . . . . . . . 4.29 rr_1ih9 1
18 1 . . . . . . . . 3.21 rr_1ih9 1
19 1 . . . . . . . . 2.99 rr_1ih9 1
20 1 . . . . . . . . 2.99 rr_1ih9 1
21 1 . . . . . . . . 6.53 rr_1ih9 1
22 1 . . . . . . . . 6.53 rr_1ih9 1
23 1 . . . . . . . . 2.90 rr_1ih9 1
24 1 . . . . . . . . 3.61 rr_1ih9 1
25 1 . . . . . . . . 6.53 rr_1ih9 1
26 1 . . . . . . . . 6.53 rr_1ih9 1
27 1 . . . . . . . . 4.79 rr_1ih9 1
28 2 . . . . . . . . 6.10 rr_1ih9 1
28 3 . . . . . . . . 6.10 rr_1ih9 1
29 1 . . . . . . . . 3.92 rr_1ih9 1
30 1 . . . . . . . . 4.72 rr_1ih9 1
31 1 . . . . . . . . 4.76 rr_1ih9 1
32 1 . . . . . . . . 5.50 rr_1ih9 1
33 1 . . . . . . . . 2.59 rr_1ih9 1
34 1 . . . . . . . . 3.98 rr_1ih9 1
35 1 . . . . . . . . 5.50 rr_1ih9 1
36 1 . . . . . . . . 3.48 rr_1ih9 1
37 1 . . . . . . . . 4.20 rr_1ih9 1
38 1 . . . . . . . . 5.27 rr_1ih9 1
39 1 . . . . . . . . 4.11 rr_1ih9 1
40 2 . . . . . . . . 5.79 rr_1ih9 1
40 3 . . . . . . . . 5.79 rr_1ih9 1
41 1 . . . . . . . . 5.50 rr_1ih9 1
42 1 . . . . . . . . 5.50 rr_1ih9 1
43 1 . . . . . . . . 3.86 rr_1ih9 1
44 1 . . . . . . . . 3.33 rr_1ih9 1
45 1 . . . . . . . . 3.42 rr_1ih9 1
46 1 . . . . . . . . 3.67 rr_1ih9 1
47 1 . . . . . . . . 5.50 rr_1ih9 1
48 1 . . . . . . . . 3.08 rr_1ih9 1
49 1 . . . . . . . . 5.50 rr_1ih9 1
50 2 . . . . . . . . 3.65 rr_1ih9 1
50 3 . . . . . . . . 3.65 rr_1ih9 1
51 1 . . . . . . . . 2.62 rr_1ih9 1
52 1 . . . . . . . . 2.46 rr_1ih9 1
53 1 . . . . . . . . 3.05 rr_1ih9 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "Upl restraints, acount for free rotation of some side-chains" 1 1 1 61 rr_1ih9 1
2 "some restraints from noe50 peaklist, other from noe100" 2 1 2 55 rr_1ih9 1
3 "1 GLY QA 2 TRP HD1 6.07" 4 1 4 53 rr_1ih9 1
4 "1 GLY QA 2 TRP HE3 6.38" 5 1 5 53 rr_1ih9 1
5 "1 GLY QA 15 AIB HN 6.19" 11 1 11 53 rr_1ih9 1
6 "1 GLY QA 15 AIB QB1 7.40" 12 1 12 53 rr_1ih9 1
7 "1 GLY QA 16 PRO HG3 6.38" 13 1 13 53 rr_1ih9 1
8 "2 TRP HN 2 TRP HB3 3.14 -free rotation" 15 1 15 67 rr_1ih9 1
9 "2 TRP HN 2 TRP QB 2.92" 16 1 16 53 rr_1ih9 1
10 "2 TRP HN 2 TRP HD1 3.67" 17 1 17 53 rr_1ih9 1
11 "2 TRP HA 2 TRP HB2 2.77" 19 1 19 53 rr_1ih9 1
12 "2 TRP HA 2 TRP HB3 2.77" 20 1 20 53 rr_1ih9 1
13 "2 TRP HA 2 TRP HD1 3.89" 21 1 21 53 rr_1ih9 1
14 "2 TRP HA 2 TRP HE3 3.27" 22 1 22 53 rr_1ih9 1
15 "2 TRP HB2 2 TRP HD1 3.55" 25 1 25 53 rr_1ih9 1
16 "2 TRP HB2 2 TRP HE3 3.67" 26 1 26 53 rr_1ih9 1
17 "2 TRP HB3 2 TRP HD1 3.55" 28 1 28 53 rr_1ih9 1
18 "2 TRP HB3 2 TRP HE3 3.67" 29 1 29 53 rr_1ih9 1
19 "2 TRP QB 2 TRP HD1 3.37" 31 1 31 53 rr_1ih9 1
20 "2 TRP QB 2 TRP HE3 3.44" 32 1 32 53 rr_1ih9 1
21 "2 TRP CB 6 ILE QD1 7.37" 34 1 34 53 rr_1ih9 1
22 "2 TRP HD1 5 IVA QB2 6.53" 35 1 35 53 rr_1ih9 1
23 "2 TRP HE3 3 ILE HA 5.50" 36 1 36 53 rr_1ih9 1
24 "2 TRP HE3 5 IVA QB2 5.07" 37 1 37 53 rr_1ih9 1
25 "2 TRP HE3 6 ILE QG2 6.25" 38 1 38 53 rr_1ih9 1
26 "2 TRP HE3 6 ILE QD1 5.13" 39 1 39 53 rr_1ih9 1
27 "2 TRP HZ3 6 ILE QD1 6.53" 40 1 40 53 rr_1ih9 1
28 "3 ILE HN 3 ILE HB 2.71" 41 1 41 53 rr_1ih9 1
29 "3 ILE HN 3 ILE QG2 4.85" 42 1 42 53 rr_1ih9 1
30 "3 ILE HN 3 ILE HG12 4.01" 43 1 43 53 rr_1ih9 1
31 "3 ILE HN 3 ILE HG13 4.01" 44 1 44 53 rr_1ih9 1
32 "3 ILE HN 3 ILE QG1 3.73" 45 1 45 53 rr_1ih9 1
33 "3 ILE HA 3 ILE HB 2.77" 47 1 47 53 rr_1ih9 1
34 "3 ILE HA 3 ILE QG2 3.64" 48 1 48 53 rr_1ih9 1
35 "3 ILE HA 3 ILE QG1 3.74" 49 1 49 53 rr_1ih9 1
36 "3 ILE HA 6 ILE QG2 4.39" 53 1 53 53 rr_1ih9 1
37 "3 ILE HA 6 ILE QD1 5.13" 54 1 54 53 rr_1ih9 1
38 "3 ILE HB 4 GLN HN 3.11" 55 1 55 53 rr_1ih9 1
39 "3 ILE QG2 4 GLN HN 4.79" 56 1 56 53 rr_1ih9 1
40 "3 ILE QG2 4 GLN HA 5.23" 57 1 57 53 rr_1ih9 1
41 "- free rotation" 58 40 58 59 rr_1ih9 1
42 "4 GLN HN 4 GLN HB3 3.02" 59 1 59 53 rr_1ih9 1
43 "4 GLN HN 4 GLN QB 2.75" 60 1 60 53 rr_1ih9 1
44 "4 GLN HN 4 GLN QG 6.00" 61 1 61 53 rr_1ih9 1
45 "4 GLN HA 4 GLN HB2 2.68" 64 1 64 53 rr_1ih9 1
46 "4 GLN HA 4 GLN HB3 2.68" 65 1 65 53 rr_1ih9 1
47 "4 GLN HA 7 THR HB 2.77" 67 1 67 53 rr_1ih9 1
48 "4 GLN HA 7 THR QG2 5.38" 68 1 68 53 rr_1ih9 1
49 "4 GLN HA 14 HYP HB3 4.04" 70 1 70 53 rr_1ih9 1
50 "free rotation" 71 39 71 66 rr_1ih9 1
51 "4 GLN HB2 5 IVA QG 6.23" 72 1 72 53 rr_1ih9 1
52 "free rotation" 73 39 73 66 rr_1ih9 1
53 "4 GLN HB2 15 AIB HN 4.63" 74 1 74 53 rr_1ih9 1
54 "4 GLN HB3 5 IVA HN 3.21" 75 1 75 53 rr_1ih9 1
55 "free rotation" 76 39 76 66 rr_1ih9 1
56 "4 GLN HB3 8 AIB HN 5.34" 77 1 77 53 rr_1ih9 1
57 "4 GLN HB3 15 AIB HN 4.63" 78 1 78 53 rr_1ih9 1
58 "4 GLN QB 5 IVA HN 3.02" 79 1 79 53 rr_1ih9 1
59 "4 GLN QB 5 IVA QG 5.63" 80 1 80 53 rr_1ih9 1
60 "4 GLN QB 8 AIB HN 5.01" 81 1 81 53 rr_1ih9 1
61 "4 GLN QG 5 IVA QG 6.92" 82 1 82 53 rr_1ih9 1
62 "4 GLN QG 14 HYP HD22 6.38" 83 1 83 53 rr_1ih9 1
63 "4 GLN QG 15 AIB HN 6.38" 84 1 84 53 rr_1ih9 1
64 "5 IVA QB2 6 ILE QD1 7.56" 89 1 89 53 rr_1ih9 1
65 "5 IVA HB13 12 GLN HN 5.50" 93 1 93 53 rr_1ih9 1
66 "6 ILE HN 6 ILE HB 2.65" 96 1 96 53 rr_1ih9 1
67 "6 ILE HN 6 ILE HG12 4.17" 97 1 97 53 rr_1ih9 1
68 "6 ILE HN 6 ILE HG13 4.17" 98 1 98 53 rr_1ih9 1
69 "6 ILE HN 6 ILE QG1 3.74" 99 1 99 53 rr_1ih9 1
70 "6 ILE HN 6 ILE QD1 6.16" 100 1 100 53 rr_1ih9 1
71 "6 ILE HA 6 ILE HB 2.93" 102 1 102 53 rr_1ih9 1
72 "6 ILE HA 6 ILE QG2 3.74" 103 1 103 53 rr_1ih9 1
73 "6 ILE HA 6 ILE QG1 3.63" 104 1 104 53 rr_1ih9 1
74 "6 ILE HA 6 ILE QD1 4.48" 105 1 105 53 rr_1ih9 1
75 "6 ILE HB 7 THR HN 3.14" 108 1 108 53 rr_1ih9 1
76 "6 ILE QG2 7 THR HN 5.41" 109 1 109 53 rr_1ih9 1
77 "6 ILE QG2 7 THR QG2 7.56" 110 1 110 53 rr_1ih9 1
78 "6 ILE QG2 10 AIB QB1 7.56" 111 1 111 53 rr_1ih9 1
79 "6 ILE QG2 10 AIB QB2 7.56" 112 1 112 53 rr_1ih9 1
80 "7 THR HN 7 THR HB 3.05" 113 1 113 53 rr_1ih9 1
81 "7 THR HA 7 THR HB 2.83" 115 1 115 53 rr_1ih9 1
82 "7 THR HA 7 THR QG2 3.58" 116 1 116 53 rr_1ih9 1
83 "7 THR QG2 8 AIB HN 6.22" 121 1 121 53 rr_1ih9 1
84 "7 THR QG2 8 AIB QB1 7.56" 122 1 122 53 rr_1ih9 1
85 "7 THR QG2 8 AIB QB2 7.56" 123 1 123 53 rr_1ih9 1
86 "7 THR QG2 9 LEU HA 6.53" 124 1 124 53 rr_1ih9 1
87 "7 THR QG2 10 AIB QB1 7.56" 125 1 125 53 rr_1ih9 1
88 "9 LEU HA 12 GLN HE21 4.48" 143 1 143 53 rr_1ih9 1
89 "9 LEU HB2 12 GLN HE21 4.00 #+0.14 sp dif" 144 1 144 67 rr_1ih9 1
90 "9 LEU HB3 12 GLN HE21 3.52" 145 1 145 53 rr_1ih9 1
91 . 146 38 146 39 rr_1ih9 1
92 "9 LEU HG 12 GLN HE21 4.79" 147 1 147 53 rr_1ih9 1
93 "9 LEU QD2 12 GLN HE21 5.75" 149 1 149 53 rr_1ih9 1
94 "11 HYP HB2 12 GLN HN 3.39 -bad line shape" 159 1 159 68 rr_1ih9 1
95 "+0.2 spin diffusion" 168 38 168 72 rr_1ih9 1
96 . 173 38 173 55 rr_1ih9 1
97 "12 GLN HG3 15 AIB QB1 4.76 -spin diffusion" 176 1 176 54 rr_1ih9 1
98 "from 50" 213 1 213 22 rr_1ih9 1
99 "peak 97 new calibration" 214 40 214 68 rr_1ih9 1
100 "peak 98" 215 40 215 52 rr_1ih9 1
101 "peak 160" 216 40 216 52 rr_1ih9 1
102 "peak 161" 217 40 217 52 rr_1ih9 1
103 "17 PHE HN 17 PHE HB2 2.52 #from 50 old calibration" 218 1 218 71 rr_1ih9 1
104 "17 PHE HN 17 PHE HB3 3.79" 219 1 219 53 rr_1ih9 1
105 "17 PHE HA 17 PHE HB2 3.05" 220 1 220 53 rr_1ih9 1
106 "17 PHE HA 17 PHE HB3 2.50 #+0.1" 221 1 221 58 rr_1ih9 1
107 "from 50" 222 1 222 8 rr_1ih9 1
108 "12 GLN HN 12 GLN HG2 3.73 - spin diffusion" 224 1 224 69 rr_1ih9 1
109 "12 GLN HA 12 GLN HG3 2.90 - spin diffusion" 227 1 227 69 rr_1ih9 1
110 "from 50" 228 1 228 8 rr_1ih9 1
111 "peak 416" 229 40 229 52 rr_1ih9 1
112 "peak 209" 230 40 230 52 rr_1ih9 1
113 "peak 208" 231 40 231 52 rr_1ih9 1
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 2 1 1 "Not handling restraint 1, item 1, resonance(s) ' .1.QA' (nmrStar names) not linked" rr_1ih9 1
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .1.QA' (nmrStar names) not linked" rr_1ih9 1
3 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .1.QA' (nmrStar names) not linked" rr_1ih9 1
4 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .1.QA' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1ih9 1
5 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .1.QA' (nmrStar names),' .5.QB2' (nmrStar names) not linked" rr_1ih9 1
6 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .1.QA' (nmrStar names),' .5.QG' (nmrStar names) not linked" rr_1ih9 1
7 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_1ih9 1
8 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ih9 1
9 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .2.HB3' (nmrStar names) not linked" rr_1ih9 1
10 2 15 1 "Not handling restraint 15, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_1ih9 1
11 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_1ih9 1
12 2 20 1 "Not handling restraint 20, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ih9 1
13 2 23 1 "Not handling restraint 23, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_1ih9 1
14 2 25 1 "Not handling restraint 25, item 1, resonance(s) ' .5.QG' (nmrStar names) not linked" rr_1ih9 1
15 2 26 1 "Not handling restraint 26, item 1, resonance(s) ' .5.HN' (nmrStar names),' .5.HB12' (nmrStar names) not linked" rr_1ih9 1
16 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .5.HN' (nmrStar names),' .5.QG' (nmrStar names) not linked" rr_1ih9 1
17 2 28 1 "Not handling restraint 28, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_1ih9 1
18 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ih9 1
19 2 30 1 "Not handling restraint 30, item 1, resonance(s) ' .5.HB12' (nmrStar names) not linked" rr_1ih9 1
20 2 31 1 "Not handling restraint 31, item 1, resonance(s) ' .5.HB12' (nmrStar names),' .8.QB1' (nmrStar names) not linked" rr_1ih9 1
21 2 32 1 "Not handling restraint 32, item 1, resonance(s) ' .5.HB13' (nmrStar names) not linked" rr_1ih9 1
22 2 33 1 "Not handling restraint 33, item 1, resonance(s) ' .5.QG' (nmrStar names) not linked" rr_1ih9 1
23 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .5.QG' (nmrStar names) not linked" rr_1ih9 1
24 2 41 1 "Not handling restraint 41, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ih9 1
25 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .8.QB1' (nmrStar names) not linked" rr_1ih9 1
26 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .8.QB1' (nmrStar names) not linked" rr_1ih9 1
27 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .8.QB1' (nmrStar names) not linked" rr_1ih9 1
28 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .8.QB1' (nmrStar names) not linked" rr_1ih9 1
29 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .8.QB2' (nmrStar names) not linked" rr_1ih9 1
30 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .8.QB2' (nmrStar names) not linked" rr_1ih9 1
31 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .12.HG3' (nmrStar names) not linked" rr_1ih9 1
32 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .12.HG3' (nmrStar names) not linked" rr_1ih9 1
33 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ih9 1
34 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ih9 1
35 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ih9 1
36 2 67 1 "Not handling restraint 67, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ih9 1
37 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ih9 1
38 2 69 1 "Not handling restraint 69, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" rr_1ih9 1
39 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" rr_1ih9 1
40 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .13.QB1' (nmrStar names) not linked" rr_1ih9 1
41 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .13.QB2' (nmrStar names) not linked" rr_1ih9 1
42 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .15.QB1' (nmrStar names) not linked" rr_1ih9 1
43 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .15.QB1' (nmrStar names) not linked" rr_1ih9 1
44 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .12.HG3' (nmrStar names) not linked" rr_1ih9 1
45 2 87 1 "Not handling restraint 87, item 1, resonance(s) ' .13.QB1' (nmrStar names) not linked" rr_1ih9 1
46 2 90 1 "Not handling restraint 90, item 1, resonance(s) ' .13.QB1' (nmrStar names) not linked" rr_1ih9 1
47 2 91 1 "Not handling restraint 91, item 1, resonance(s) ' .13.QB1' (nmrStar names) not linked" rr_1ih9 1
48 2 92 1 "Not handling restraint 92, item 1, resonance(s) ' .13.QB1' (nmrStar names) not linked" rr_1ih9 1
49 2 93 1 "Not handling restraint 93, item 1, resonance(s) ' .13.QB1' (nmrStar names),' .17.QD' (nmrStar names) not linked" rr_1ih9 1
50 2 94 1 "Not handling restraint 94, item 1, resonance(s) ' .13.QB2' (nmrStar names) not linked" rr_1ih9 1
51 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .15.QB1' (nmrStar names) not linked" rr_1ih9 1
52 2 99 1 "Not handling restraint 99, item 1, resonance(s) ' .15.QB1' (nmrStar names) not linked" rr_1ih9 1
53 2 101 1 "Not handling restraint 101, item 1, resonance(s) ' .16.HD3' (nmrStar names) not linked" rr_1ih9 1
54 2 102 1 "Not handling restraint 102, item 1, resonance(s) ' .15.QB1' (nmrStar names) not linked" rr_1ih9 1
55 2 103 1 "Not handling restraint 103, item 1, resonance(s) ' .15.QB1' (nmrStar names) not linked" rr_1ih9 1
56 2 104 1 "Not handling restraint 104, item 1, resonance(s) ' .15.QB1' (nmrStar names),' .16.HD3' (nmrStar names) not linked" rr_1ih9 1
57 2 105 1 "Not handling restraint 105, item 1, resonance(s) ' .15.QB1' (nmrStar names),' .17.QD' (nmrStar names) not linked" rr_1ih9 1
58 2 106 1 "Not handling restraint 106, item 1, resonance(s) ' .15.QB2' (nmrStar names),' .17.HN' (nmrStar names) not linked" rr_1ih9 1
59 2 107 1 "Not handling restraint 107, item 1, resonance(s) ' .17.HN' (nmrStar names) not linked" rr_1ih9 1
60 2 108 1 "Not handling restraint 108, item 1, resonance(s) ' .17.HN' (nmrStar names) not linked" rr_1ih9 1
61 2 110 1 "Not handling restraint 110, item 1, resonance(s) ' .17.QD' (nmrStar names) not linked" rr_1ih9 1
62 2 111 1 "Not handling restraint 111, item 1, resonance(s) ' .17.QE' (nmrStar names) not linked" rr_1ih9 1
63 2 112 1 "Not handling restraint 112, item 1, resonance(s) ' .17.QD' (nmrStar names),' .16.HB3' (nmrStar names) not linked" rr_1ih9 1
64 2 113 1 "Not handling restraint 113, item 1, resonance(s) ' .17.QE' (nmrStar names),' .16.HB3' (nmrStar names) not linked" rr_1ih9 1
65 2 114 1 "Not handling restraint 114, item 1, resonance(s) ' .17.QD' (nmrStar names) not linked" rr_1ih9 1
66 2 115 1 "Not handling restraint 115, item 1, resonance(s) ' .17.QE' (nmrStar names) not linked" rr_1ih9 1
67 2 116 1 "Not handling restraint 116, item 1, resonance(s) ' .17.HN' (nmrStar names),' .16.HG3' (nmrStar names) not linked" rr_1ih9 1
68 2 117 1 "Not handling restraint 117, item 1, resonance(s) ' .17.QD' (nmrStar names),' .16.HG3' (nmrStar names) not linked" rr_1ih9 1
69 2 118 1 "Not handling restraint 118, item 1, resonance(s) ' .17.QE' (nmrStar names),' .16.HG3' (nmrStar names) not linked" rr_1ih9 1
70 2 119 1 "Not handling restraint 119, item 1, resonance(s) ' .17.HN' (nmrStar names) not linked" rr_1ih9 1
71 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .17.QD' (nmrStar names) not linked" rr_1ih9 1
72 2 121 1 "Not handling restraint 121, item 1, resonance(s) ' .17.QE' (nmrStar names) not linked" rr_1ih9 1
73 2 122 1 "Not handling restraint 122, item 1, resonance(s) ' .16.HD3' (nmrStar names),' .17.QE' (nmrStar names) not linked" rr_1ih9 1
74 2 123 1 "Not handling restraint 123, item 1, resonance(s) ' .17.HN' (nmrStar names),' .17.HB2' (nmrStar names) not linked" rr_1ih9 1
75 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .17.HN' (nmrStar names),' .17.HB3' (nmrStar names) not linked" rr_1ih9 1
76 2 125 1 "Not handling restraint 125, item 1, resonance(s) ' .17.HB2' (nmrStar names) not linked" rr_1ih9 1
77 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .17.HB3' (nmrStar names) not linked" rr_1ih9 1
78 2 128 1 "Not handling restraint 128, item 1, resonance(s) ' .12.HG3' (nmrStar names) not linked" rr_1ih9 1
79 2 132 1 "Not handling restraint 132, item 1, resonance(s) ' .9.HB3' (nmrStar names) not linked" rr_1ih9 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_4_1
_Distance_constraint_list.Entry_ID rr_1ih9
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1ih9 2
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1ih9 2
2 1 . . . rr_1ih9 2
3 1 . . . rr_1ih9 2
4 1 . . . rr_1ih9 2
5 1 . . . rr_1ih9 2
6 1 . . . rr_1ih9 2
7 1 . . . rr_1ih9 2
8 1 . . . rr_1ih9 2
9 1 . . . rr_1ih9 2
10 1 . . . rr_1ih9 2
11 1 . . . rr_1ih9 2
12 1 . . . rr_1ih9 2
13 1 . . . rr_1ih9 2
14 1 . . . rr_1ih9 2
15 1 . . . rr_1ih9 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 2 2 TRP HE3 H . . . . 2 TRP HE3 rr_1ih9 2
1 1 . 2 . 1 1 2 2 TRP H H . . . . 2 TRP HN rr_1ih9 2
2 1 . 1 . 1 1 3 3 ILE HB H . . . . 3 ILE HB rr_1ih9 2
2 1 . 2 . 1 1 4 4 GLN HE21 H . . . . 4 GLN HE21 rr_1ih9 2
3 1 . 1 . 1 1 16 16 PRO HB3 H . . . . 16 PRO HB2 rr_1ih9 2
3 1 . 2 . 1 1 17 17 PHL HZ H . . . . 17 PHE HZ rr_1ih9 2
4 1 . 1 . 1 1 4 4 GLN HA H . . . . 4 GLN HA rr_1ih9 2
4 1 . 2 . 1 1 4 4 GLN HE21 H . . . . 4 GLN HE21 rr_1ih9 2
5 1 . 1 . 1 1 4 4 GLN HB3 H . . . . 4 GLN HB2 rr_1ih9 2
5 1 . 2 . 1 1 4 4 GLN HE21 H . . . . 4 GLN HE21 rr_1ih9 2
6 1 . 1 . 1 1 4 4 GLN HE22 H . . . . 4 GLN HE22 rr_1ih9 2
6 1 . 2 . 1 1 4 4 GLN H H . . . . 4 GLN HN rr_1ih9 2
7 1 . 1 . 1 1 4 4 GLN HE21 H . . . . 4 GLN HE21 rr_1ih9 2
7 1 . 2 . 1 1 4 4 GLN H H . . . . 4 GLN HN rr_1ih9 2
8 1 . 1 . 1 1 9 9 LEU HA H . . . . 9 LEU HA rr_1ih9 2
8 1 . 2 . 1 1 12 12 GLN HE22 H . . . . 12 GLN HE22 rr_1ih9 2
9 1 . 1 . 1 1 9 9 LEU HB3 H . . . . 9 LEU HB2 rr_1ih9 2
9 1 . 2 . 1 1 12 12 GLN HE22 H . . . . 12 GLN HE22 rr_1ih9 2
10 1 . 1 . 1 1 9 9 LEU HG H . . . . 9 LEU HG rr_1ih9 2
10 1 . 2 . 1 1 12 12 GLN HE22 H . . . . 12 GLN HE22 rr_1ih9 2
11 1 . 1 . 1 1 9 9 LEU MD1 H . . . . 9 LEU QD1 rr_1ih9 2
11 1 . 2 . 1 1 12 12 GLN HE22 H . . . . 12 GLN HE22 rr_1ih9 2
12 1 . 1 . 1 1 9 9 LEU MD1 H . . . . 9 LEU QD1 rr_1ih9 2
12 1 . 2 . 1 1 12 12 GLN HE21 H . . . . 12 GLN HE21 rr_1ih9 2
13 1 . 1 . 1 1 12 12 GLN HB3 H . . . . 12 GLN HB2 rr_1ih9 2
13 1 . 2 . 1 1 12 12 GLN HE22 H . . . . 12 GLN HE22 rr_1ih9 2
14 1 . 1 . 1 1 12 12 GLN HB3 H . . . . 12 GLN HB2 rr_1ih9 2
14 1 . 2 . 1 1 12 12 GLN HE21 H . . . . 12 GLN HE21 rr_1ih9 2
15 1 . 1 . 1 1 12 12 GLN HG3 H . . . . 12 GLN HG2 rr_1ih9 2
15 1 . 2 . 1 1 12 12 GLN HE22 H . . . . 12 GLN HE22 rr_1ih9 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . . 3.0 rr_1ih9 2
2 1 . . . . . . . . 3.0 rr_1ih9 2
3 1 . . . . . . . . 3.0 rr_1ih9 2
4 1 . . . . . . . . 3.0 rr_1ih9 2
5 1 . . . . . . . . 3.0 rr_1ih9 2
6 1 . . . . . . . . 3.0 rr_1ih9 2
7 1 . . . . . . . . 3.0 rr_1ih9 2
8 1 . . . . . . . . 3.0 rr_1ih9 2
9 1 . . . . . . . . 3.0 rr_1ih9 2
10 1 . . . . . . . . 3.0 rr_1ih9 2
11 1 . . . . . . . . 3.0 rr_1ih9 2
12 1 . . . . . . . . 3.0 rr_1ih9 2
13 1 . . . . . . . . 3.0 rr_1ih9 2
14 1 . . . . . . . . 3.0 rr_1ih9 2
15 1 . . . . . . . . 3.0 rr_1ih9 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "Lol restraints, for peaks expexted but not presented in spectra" 1 1 1 64 rr_1ih9 2
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 4 3 1 "Not handling restraint 3, item 1, resonance(s) ' .2.HB3' (nmrStar names) not linked" rr_1ih9 2
2 4 4 1 "Not handling restraint 4, item 1, resonance(s) ' .2.HB3' (nmrStar names),' .3.HG13' (nmrStar names) not linked" rr_1ih9 2
3 4 8 1 "Not handling restraint 8, item 1, resonance(s) ' .4.HB3' (nmrStar names) not linked" rr_1ih9 2
4 4 11 1 "Not handling restraint 11, item 1, resonance(s) ' .5.HB12' (nmrStar names) not linked" rr_1ih9 2
5 4 12 1 "Not handling restraint 12, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ih9 2
6 4 15 1 "Not handling restraint 15, item 1, resonance(s) ' .9.HB3' (nmrStar names) not linked" rr_1ih9 2
7 4 16 1 "Not handling restraint 16, item 1, resonance(s) ' .5.HB12' (nmrStar names) not linked" rr_1ih9 2
8 4 22 1 "Not handling restraint 22, item 1, resonance(s) ' .12.HB3' (nmrStar names) not linked" rr_1ih9 2
9 4 23 1 "Not handling restraint 23, item 1, resonance(s) ' .12.HB3' (nmrStar names) not linked" rr_1ih9 2
10 4 25 1 "Not handling restraint 25, item 1, resonance(s) ' .16.HD3' (nmrStar names),' .12.HB3' (nmrStar names) not linked" rr_1ih9 2
11 4 26 1 "Not handling restraint 26, item 1, resonance(s) ' .16.HD3' (nmrStar names) not linked" rr_1ih9 2
12 4 27 1 "Not handling restraint 27, item 1, resonance(s) ' .16.HD3' (nmrStar names) not linked" rr_1ih9 2
13 4 28 1 "Not handling restraint 28, item 1, resonance(s) ' .12.HG3' (nmrStar names),' .16.HD3' (nmrStar names) not linked" rr_1ih9 2
14 4 29 1 "Not handling restraint 29, item 1, resonance(s) ' .1.QA' (nmrStar names) not linked" rr_1ih9 2
stop_
save_
save_DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_1ih9
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1ih9 3
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1ih9 3
2 1 . . . rr_1ih9 3
3 1 . . . rr_1ih9 3
4 1 . . . rr_1ih9 3
5 1 . . . rr_1ih9 3
6 1 . . . rr_1ih9 3
7 1 . . . rr_1ih9 3
8 1 . . . rr_1ih9 3
9 1 . . . rr_1ih9 3
10 1 . . . rr_1ih9 3
11 1 . . . rr_1ih9 3
12 1 . . . rr_1ih9 3
13 1 . . . rr_1ih9 3
14 1 . . . rr_1ih9 3
15 1 . . . rr_1ih9 3
16 1 . . . rr_1ih9 3
17 1 . . . rr_1ih9 3
18 1 . . . rr_1ih9 3
19 1 . . . rr_1ih9 3
20 1 . . . rr_1ih9 3
21 1 . . . rr_1ih9 3
22 1 . . . rr_1ih9 3
23 1 . . . rr_1ih9 3
24 1 . . . rr_1ih9 3
25 1 . . . rr_1ih9 3
26 1 . . . rr_1ih9 3
27 1 . . . rr_1ih9 3
28 1 . . . rr_1ih9 3
29 1 . . . rr_1ih9 3
30 1 . . . rr_1ih9 3
31 1 . . . rr_1ih9 3
32 1 . . . rr_1ih9 3
33 1 . . . rr_1ih9 3
34 1 . . . rr_1ih9 3
35 1 . . . rr_1ih9 3
36 1 . . . rr_1ih9 3
37 1 . . . rr_1ih9 3
38 1 . . . rr_1ih9 3
39 1 . . . rr_1ih9 3
40 1 . . . rr_1ih9 3
41 1 . . . rr_1ih9 3
42 1 . . . rr_1ih9 3
43 1 . . . rr_1ih9 3
44 1 . . . rr_1ih9 3
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 2 2 TRP O O . . . . 2 TRP O rr_1ih9 3
1 1 . 2 . 1 1 6 6 ILE H H . . . . 6 ILE HN rr_1ih9 3
2 1 . 1 . 1 1 2 2 TRP C C . . . . 2 TRP C rr_1ih9 3
2 1 . 2 . 1 1 6 6 ILE H H . . . . 6 ILE HN rr_1ih9 3
3 1 . 1 . 1 1 2 2 TRP O O . . . . 2 TRP O rr_1ih9 3
3 1 . 2 . 1 1 6 6 ILE N N . . . . 6 ILE N rr_1ih9 3
4 1 . 1 . 1 1 3 3 ILE O O . . . . 3 ILE O rr_1ih9 3
4 1 . 2 . 1 1 7 7 THR H H . . . . 7 THR HN rr_1ih9 3
5 1 . 1 . 1 1 3 3 ILE C C . . . . 3 ILE C rr_1ih9 3
5 1 . 2 . 1 1 7 7 THR H H . . . . 7 THR HN rr_1ih9 3
6 1 . 1 . 1 1 3 3 ILE O O . . . . 3 ILE O rr_1ih9 3
6 1 . 2 . 1 1 7 7 THR N N . . . . 7 THR N rr_1ih9 3
7 1 . 1 . 1 1 4 4 GLN O O . . . . 4 GLN O rr_1ih9 3
7 1 . 2 . 1 1 8 8 ABA H H . . . . 8 AIB HN rr_1ih9 3
8 1 . 1 . 1 1 4 4 GLN C C . . . . 4 GLN C rr_1ih9 3
8 1 . 2 . 1 1 8 8 ABA H H . . . . 8 AIB HN rr_1ih9 3
9 1 . 1 . 1 1 4 4 GLN O O . . . . 4 GLN O rr_1ih9 3
9 1 . 2 . 1 1 8 8 ABA N N . . . . 8 AIB N rr_1ih9 3
10 1 . 1 . 1 1 7 7 THR O O . . . . 7 THR O rr_1ih9 3
10 1 . 2 . 1 1 10 10 ABA H H . . . . 10 AIB HN rr_1ih9 3
11 1 . 1 . 1 1 7 7 THR C C . . . . 7 THR C rr_1ih9 3
11 1 . 2 . 1 1 10 10 ABA H H . . . . 10 AIB HN rr_1ih9 3
12 1 . 1 . 1 1 7 7 THR O O . . . . 7 THR O rr_1ih9 3
12 1 . 2 . 1 1 10 10 ABA N N . . . . 10 AIB N rr_1ih9 3
13 1 . 1 . 1 1 9 9 LEU O O . . . . 9 LEU O rr_1ih9 3
13 1 . 2 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1ih9 3
14 1 . 1 . 1 1 9 9 LEU C C . . . . 9 LEU C rr_1ih9 3
14 1 . 2 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1ih9 3
15 1 . 1 . 1 1 9 9 LEU O O . . . . 9 LEU O rr_1ih9 3
15 1 . 2 . 1 1 12 12 GLN N N . . . . 12 GLN N rr_1ih9 3
16 1 . 1 . 1 1 10 10 ABA O O . . . . 10 AIB O rr_1ih9 3
16 1 . 2 . 1 1 13 13 ABA H H . . . . 13 AIB HN rr_1ih9 3
17 1 . 1 . 1 1 10 10 ABA C C . . . . 10 AIB C rr_1ih9 3
17 1 . 2 . 1 1 13 13 ABA H H . . . . 13 AIB HN rr_1ih9 3
18 1 . 1 . 1 1 10 10 ABA O O . . . . 10 AIB O rr_1ih9 3
18 1 . 2 . 1 1 13 13 ABA N N . . . . 13 AIB N rr_1ih9 3
19 1 . 1 . 1 1 11 11 HYP O O . . . . 11 HYP O rr_1ih9 3
19 1 . 2 . 1 1 15 15 ABA H H . . . . 15 AIB HN rr_1ih9 3
20 1 . 1 . 1 1 11 11 HYP C C . . . . 11 HYP C rr_1ih9 3
20 1 . 2 . 1 1 15 15 ABA H H . . . . 15 AIB HN rr_1ih9 3
21 1 . 1 . 1 1 11 11 HYP O O . . . . 11 HYP O rr_1ih9 3
21 1 . 2 . 1 1 15 15 ABA N N . . . . 15 AIB N rr_1ih9 3
22 1 . 1 . 1 1 13 13 ABA O O . . . . 13 AIB O rr_1ih9 3
22 1 . 2 . 1 1 17 17 PHL N N . . . . 17 PHE N rr_1ih9 3
23 1 . 1 . 1 1 2 2 TRP O O . . . . 2 TRP O rr_1ih9 3
23 1 . 2 . 1 1 6 6 ILE H H . . . . 6 ILE HN rr_1ih9 3
24 1 . 1 . 1 1 2 2 TRP C C . . . . 2 TRP C rr_1ih9 3
24 1 . 2 . 1 1 6 6 ILE H H . . . . 6 ILE HN rr_1ih9 3
25 1 . 1 . 1 1 2 2 TRP O O . . . . 2 TRP O rr_1ih9 3
25 1 . 2 . 1 1 6 6 ILE N N . . . . 6 ILE N rr_1ih9 3
26 1 . 1 . 1 1 3 3 ILE O O . . . . 3 ILE O rr_1ih9 3
26 1 . 2 . 1 1 7 7 THR H H . . . . 7 THR HN rr_1ih9 3
27 1 . 1 . 1 1 3 3 ILE C C . . . . 3 ILE C rr_1ih9 3
27 1 . 2 . 1 1 7 7 THR H H . . . . 7 THR HN rr_1ih9 3
28 1 . 1 . 1 1 3 3 ILE O O . . . . 3 ILE O rr_1ih9 3
28 1 . 2 . 1 1 7 7 THR N N . . . . 7 THR N rr_1ih9 3
29 1 . 1 . 1 1 4 4 GLN O O . . . . 4 GLN O rr_1ih9 3
29 1 . 2 . 1 1 8 8 ABA H H . . . . 8 AIB HN rr_1ih9 3
30 1 . 1 . 1 1 4 4 GLN C C . . . . 4 GLN C rr_1ih9 3
30 1 . 2 . 1 1 8 8 ABA H H . . . . 8 AIB HN rr_1ih9 3
31 1 . 1 . 1 1 4 4 GLN O O . . . . 4 GLN O rr_1ih9 3
31 1 . 2 . 1 1 8 8 ABA N N . . . . 8 AIB N rr_1ih9 3
32 1 . 1 . 1 1 7 7 THR O O . . . . 7 THR O rr_1ih9 3
32 1 . 2 . 1 1 10 10 ABA H H . . . . 10 AIB HN rr_1ih9 3
33 1 . 1 . 1 1 7 7 THR C C . . . . 7 THR C rr_1ih9 3
33 1 . 2 . 1 1 10 10 ABA H H . . . . 10 AIB HN rr_1ih9 3
34 1 . 1 . 1 1 7 7 THR O O . . . . 7 THR O rr_1ih9 3
34 1 . 2 . 1 1 10 10 ABA N N . . . . 10 AIB N rr_1ih9 3
35 1 . 1 . 1 1 9 9 LEU O O . . . . 9 LEU O rr_1ih9 3
35 1 . 2 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1ih9 3
36 1 . 1 . 1 1 9 9 LEU C C . . . . 9 LEU C rr_1ih9 3
36 1 . 2 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1ih9 3
37 1 . 1 . 1 1 9 9 LEU O O . . . . 9 LEU O rr_1ih9 3
37 1 . 2 . 1 1 12 12 GLN N N . . . . 12 GLN N rr_1ih9 3
38 1 . 1 . 1 1 10 10 ABA O O . . . . 10 AIB O rr_1ih9 3
38 1 . 2 . 1 1 13 13 ABA H H . . . . 13 AIB HN rr_1ih9 3
39 1 . 1 . 1 1 10 10 ABA C C . . . . 10 AIB C rr_1ih9 3
39 1 . 2 . 1 1 13 13 ABA H H . . . . 13 AIB HN rr_1ih9 3
40 1 . 1 . 1 1 10 10 ABA O O . . . . 10 AIB O rr_1ih9 3
40 1 . 2 . 1 1 13 13 ABA N N . . . . 13 AIB N rr_1ih9 3
41 1 . 1 . 1 1 11 11 HYP O O . . . . 11 HYP O rr_1ih9 3
41 1 . 2 . 1 1 15 15 ABA H H . . . . 15 AIB HN rr_1ih9 3
42 1 . 1 . 1 1 11 11 HYP C C . . . . 11 HYP C rr_1ih9 3
42 1 . 2 . 1 1 15 15 ABA H H . . . . 15 AIB HN rr_1ih9 3
43 1 . 1 . 1 1 11 11 HYP O O . . . . 11 HYP O rr_1ih9 3
43 1 . 2 . 1 1 15 15 ABA N N . . . . 15 AIB N rr_1ih9 3
44 1 . 1 . 1 1 13 13 ABA O O . . . . 13 AIB O rr_1ih9 3
44 1 . 2 . 1 1 17 17 PHL N N . . . . 17 PHE N rr_1ih9 3
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . . 2.30 rr_1ih9 3
2 1 . . . . . . . . 3.52 rr_1ih9 3
3 1 . . . . . . . . 3.30 rr_1ih9 3
4 1 . . . . . . . . 2.30 rr_1ih9 3
5 1 . . . . . . . . 3.52 rr_1ih9 3
6 1 . . . . . . . . 3.30 rr_1ih9 3
7 1 . . . . . . . . 2.30 rr_1ih9 3
8 1 . . . . . . . . 3.52 rr_1ih9 3
9 1 . . . . . . . . 3.30 rr_1ih9 3
10 1 . . . . . . . . 2.40 rr_1ih9 3
11 1 . . . . . . . . 3.52 rr_1ih9 3
12 1 . . . . . . . . 3.39 rr_1ih9 3
13 1 . . . . . . . . 2.40 rr_1ih9 3
14 1 . . . . . . . . 3.52 rr_1ih9 3
15 1 . . . . . . . . 3.39 rr_1ih9 3
16 1 . . . . . . . . 2.40 rr_1ih9 3
17 1 . . . . . . . . 3.52 rr_1ih9 3
18 1 . . . . . . . . 3.39 rr_1ih9 3
19 1 . . . . . . . . 2.30 rr_1ih9 3
20 1 . . . . . . . . 3.52 rr_1ih9 3
21 1 . . . . . . . . 3.30 rr_1ih9 3
22 1 . . . . . . . . 3.30 rr_1ih9 3
23 1 . . . . . . . . 1.80 rr_1ih9 3
24 1 . . . . . . . . 2.64 rr_1ih9 3
25 1 . . . . . . . . 2.56 rr_1ih9 3
26 1 . . . . . . . . 1.80 rr_1ih9 3
27 1 . . . . . . . . 2.64 rr_1ih9 3
28 1 . . . . . . . . 2.56 rr_1ih9 3
29 1 . . . . . . . . 1.80 rr_1ih9 3
30 1 . . . . . . . . 2.64 rr_1ih9 3
31 1 . . . . . . . . 2.56 rr_1ih9 3
32 1 . . . . . . . . 1.90 rr_1ih9 3
33 1 . . . . . . . . 2.26 rr_1ih9 3
34 1 . . . . . . . . 2.66 rr_1ih9 3
35 1 . . . . . . . . 1.90 rr_1ih9 3
36 1 . . . . . . . . 2.26 rr_1ih9 3
37 1 . . . . . . . . 2.66 rr_1ih9 3
38 1 . . . . . . . . 1.90 rr_1ih9 3
39 1 . . . . . . . . 2.26 rr_1ih9 3
40 1 . . . . . . . . 2.66 rr_1ih9 3
41 1 . . . . . . . . 1.80 rr_1ih9 3
42 1 . . . . . . . . 2.64 rr_1ih9 3
43 1 . . . . . . . . 2.56 rr_1ih9 3
44 1 . . . . . . . . 2.56 rr_1ih9 3
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "Upl restraints for hydrogen bonds" 1 1 1 34 rr_1ih9 3
2 "HN5 alpha" 2 1 2 10 rr_1ih9 3
3 "HN6 alpha" 7 1 7 10 rr_1ih9 3
4 "HN7 alpha" 12 1 12 10 rr_1ih9 3
5 "HN8 alpha" 17 1 17 10 rr_1ih9 3
6 "HN9 alpha" 22 1 22 10 rr_1ih9 3
7 HN10 27 1 27 5 rr_1ih9 3
8 "3-10 not bifurcated" 28 1 28 20 rr_1ih9 3
9 HN12 33 1 33 5 rr_1ih9 3
10 "3-10 not bifurcated" 34 1 34 20 rr_1ih9 3
11 HN13 39 1 39 5 rr_1ih9 3
12 "3-10 not bifurcated" 40 1 40 20 rr_1ih9 3
13 "HN15 alpha" 45 1 45 11 rr_1ih9 3
14 "HN17 alpha" 50 1 50 11 rr_1ih9 3
15 "Lol restraints for hydrogen bonds" 56 1 56 34 rr_1ih9 3
16 "Recomended constraint for restriction 5->1 bonds:" 57 1 57 50 rr_1ih9 3
17 "min_H-O 1.80 max_H-O 2.30 min_N-O 2.56 max_N-O 3.30 min_H-C 2.64 max_H-C 3.52" 58 1 58 83 rr_1ih9 3
18 "Recomended constraint for restriction 4->1 bonds:" 59 1 59 50 rr_1ih9 3
19 "min_H-O 1.90 max_H-O 2.40 min_N-O 2.66 max_N-O 3.39 min_H-C 2.26 max_H-C 3.52" 60 1 60 83 rr_1ih9 3
20 "Recomended constraint for restriction bifurcated 4->1 bonds:" 61 1 61 61 rr_1ih9 3
21 "min_H-O 1.90 max_H-O 2.50 min_N-O 2.43 max_N-O 3.49 min_H-C 2.26 max_H-C 3.62" 62 1 62 83 rr_1ih9 3
22 "HN5 alpa" 64 1 64 9 rr_1ih9 3
23 "HN6 alpha" 69 1 69 10 rr_1ih9 3
24 "HN7 alpha" 74 1 74 10 rr_1ih9 3
25 "HN8 alpha" 79 1 79 10 rr_1ih9 3
26 "HN9 alpha" 84 1 84 10 rr_1ih9 3
27 HN10 89 1 89 5 rr_1ih9 3
28 "3-10 not bifurcated" 90 1 90 20 rr_1ih9 3
29 HN12 95 1 95 5 rr_1ih9 3
30 "3-10 not bifurcated" 96 1 96 20 rr_1ih9 3
31 HN13 101 1 101 5 rr_1ih9 3
32 "3-10 not bifurcated" 102 1 102 20 rr_1ih9 3
33 "HN15 alpha" 107 1 107 11 rr_1ih9 3
34 "HN17 alpha" 112 1 112 11 rr_1ih9 3
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 3 1 1 "Not handling restraint 1, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_1ih9 3
2 3 2 1 "Not handling restraint 2, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_1ih9 3
3 3 3 1 "Not handling restraint 3, item 1, resonance(s) ' .5.N' (nmrStar names) not linked" rr_1ih9 3
4 3 13 1 "Not handling restraint 13, item 1, resonance(s) ' .5.O' (nmrStar names) not linked" rr_1ih9 3
5 3 14 1 "Not handling restraint 14, item 1, resonance(s) ' .5.C' (nmrStar names) not linked" rr_1ih9 3
6 3 15 1 "Not handling restraint 15, item 1, resonance(s) ' .5.O' (nmrStar names) not linked" rr_1ih9 3
7 3 28 1 "Not handling restraint 28, item 1, resonance(s) ' .17.HN' (nmrStar names) not linked" rr_1ih9 3
8 3 29 1 "Not handling restraint 29, item 1, resonance(s) ' .17.HN' (nmrStar names) not linked" rr_1ih9 3
9 3 31 1 "Not handling restraint 31, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_1ih9 3
10 3 32 1 "Not handling restraint 32, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_1ih9 3
11 3 33 1 "Not handling restraint 33, item 1, resonance(s) ' .5.N' (nmrStar names) not linked" rr_1ih9 3
12 3 43 1 "Not handling restraint 43, item 1, resonance(s) ' .5.O' (nmrStar names) not linked" rr_1ih9 3
13 3 44 1 "Not handling restraint 44, item 1, resonance(s) ' .5.C' (nmrStar names) not linked" rr_1ih9 3
14 3 45 1 "Not handling restraint 45, item 1, resonance(s) ' .5.O' (nmrStar names) not linked" rr_1ih9 3
15 3 58 1 "Not handling restraint 58, item 1, resonance(s) ' .17.HN' (nmrStar names) not linked" rr_1ih9 3
16 3 59 1 "Not handling restraint 59, item 1, resonance(s) ' .17.HN' (nmrStar names) not linked" rr_1ih9 3
stop_
save_
save_DYANA/DIANA_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_5
_Torsion_angle_constraint_list.Entry_ID rr_1ih9
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_1ih9 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 PHI . 1 1 1 1 ACE C C . . 1 1 2 2 TRP N N . . 1 1 2 2 TRP CA C . . 1 1 2 2 TRP C C . -90.0 -40.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ih9 1
2 CHI1 . 1 1 9 9 LEU N N . . 1 1 9 9 LEU CA C . . 1 1 9 9 LEU CB C . . 1 1 9 9 LEU CG C . -90.0 -30.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ih9 1
3 PHI . 1 1 2 2 TRP C C . . 1 1 3 3 ILE N N . . 1 1 3 3 ILE CA C . . 1 1 3 3 ILE C C . -90.0 -40.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ih9 1
4 PHI . 1 1 3 3 ILE C C . . 1 1 4 4 GLN N N . . 1 1 4 4 GLN CA C . . 1 1 4 4 GLN C C . -90.0 -40.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ih9 1
5 PHI . 1 1 6 6 ILE C C . . 1 1 7 7 THR N N . . 1 1 7 7 THR CA C . . 1 1 7 7 THR C C . -90.0 -40.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ih9 1
6 PHI . 1 1 8 8 ABA C C . . 1 1 9 9 LEU N N . . 1 1 9 9 LEU CA C . . 1 1 9 9 LEU C C . -100.0 -60.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ih9 1
7 PHI . 1 1 11 11 HYP C C . . 1 1 12 12 GLN N N . . 1 1 12 12 GLN CA C . . 1 1 12 12 GLN C C . -160.0 -80.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ih9 1
8 PHI . 1 1 16 16 PRO C C . . 1 1 17 17 PHL N N . . 1 1 17 17 PHL CA C . . 1 1 17 17 PHL C C . -160.0 -90.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ih9 1
9 CHI1 . 1 1 17 17 PHL N N . . 1 1 17 17 PHL CA C . . 1 1 17 17 PHL CB C . . 1 1 17 17 PHL CG C . -90.0 -30.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ih9 1
10 CHI1 . 1 1 12 12 GLN N N . . 1 1 12 12 GLN CA C . . 1 1 12 12 GLN CB C . . 1 1 12 12 GLN CG C . -90.0 -30.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ih9 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "digedral angle restraints (.aco), acount for free rotation" 1 1 1 59 rr_1ih9 1
2 "2 TRP CHI1 30.0 90.0" 3 1 3 33 rr_1ih9 1
3 "3 ILE CHI1 -90.0 -30.0" 4 1 4 33 rr_1ih9 1
4 "4 GLN CHI1 -90.0 -30.0" 5 1 5 33 rr_1ih9 1
5 "6 ILE CHI1 -90.0 -30.0" 6 1 6 33 rr_1ih9 1
6 "7 THR CHI1 -90.0 -30.0" 7 1 7 33 rr_1ih9 1
stop_
loop_
_TA_constraint_conv_err.ID
_TA_constraint_conv_err.Parse_file_ID
_TA_constraint_conv_err.Parse_file_constraint_ID
_TA_constraint_conv_err.Conv_error_type
_TA_constraint_conv_err.Conv_error_note
_TA_constraint_conv_err.Entry_ID
_TA_constraint_conv_err.Torsion_angle_constraint_list_ID
1 5 5 1 "Not handling restraint 5, resonance(s) ' .5.C' (nmrStar names) not linked" rr_1ih9 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1ih9
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "*HEADER ANTIBIOTIC 19-APR-01 1IH9 *TITLE NMR STRUCTURE OF ZERVAMICIN IIB (PEPTAIBOL ANTIBIOTIC) *TITLE 2 BOUND TO DPC MICELLES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ZERVAMICIN IIB; *COMPND 3 CHAIN: A *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: EMERICELLOPSIS SALMOSYNNEMATA; *SOURCE 3 STRAIN: 336 IMI 58330 *KEYWDS BENT HELIX *EXPDTA NMR, 20 STRUCTURES *AUTHOR Z.O.SHENKAREV, T.A.BALASHEVA, R.G.EFREMOV, Z.A.YAKIMENKO, *AUTHOR 2 T.V.OVCHINNIKOVA, J.RAAP, A.S.ARSENIEV *REVDAT 1 13-FEB-02 1IH9 0 #Contencated restraints files for Zrv-IIB in DPC in Dyana format"
save_
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