*HEADER    PROTEIN BINDING                         27-JAN-15   2MYM              
*TITLE     CULLIN3 - BTB INTERFACE: A NOVEL TARGET FOR STAPLED PEPTIDES          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CULLIN-3;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 49-68;                                        
*COMPND   5 SYNONYM: CUL-3;                                                      
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HUMAN;                                          
*SOURCE   4 ORGANISM_COMMON: HOMO SAPIENS;                                       
*SOURCE   5 ORGANISM_TAXID: 9606;                                                
*SOURCE   6 OTHER_DETAILS: PEPTIDE WAS OBTAINED ON SOLID PHASE BY FMOC STRATEGY  
*KEYWDS    PROTEIN, PROTEIN BINDING                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    L.RUSSO, M.PALMIERI, G.MALGIERI                                       
*REVDAT   2   15-NOV-23 2MYM    1                                                
*REVDAT   1   22-APR-15 2MYM    0                                                


#
# INSTRUCTIONS
# 1) Replace the @ - signs with appropriate values.
# 2) Text comments concerning the assignments can be
#    supplied in the full deposition
# 3) Feel free to add or delete rows to the table as needed
#    The row numbers ( *.ID values )
#    will be re-assigned to sequential values by BMRB.
#
#
# author residue sequence: NSGLSFEEMK8YRNMK8YTMVLHK
# residue sequence for the table: NSGLSFEEMK8YRNMK8YTMVLHK
#
###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
loop_
    _Atom_chem_shift.ID
    _Atom_chem_shift.Entity_assembly_ID
    _Atom_chem_shift.Comp_index_ID
    _Atom_chem_shift.Comp_ID
    _Atom_chem_shift.Atom_ID
    _Atom_chem_shift.Atom_type
    _Atom_chem_shift.Atom_isotope_number
    _Atom_chem_shift.Val
    _Atom_chem_shift.Val_err
    _Atom_chem_shift.Assign_fig_of_merit
    _Atom_chem_shift.Ambiguity_code
    _Atom_chem_shift.Occupancy
    _Atom_chem_shift.Details


#  Entity  Comp                  Atom            Assign. Atom
# Assembly index Comp  Atom Atom isot.     Val   fig.of  Ambig.
#ID  ID     ID    ID    ID  type num  Val  err   merit   code  Occup. Details
#------------------------------------------------------------------------------
#

1     .     1     ASN   H     H   1  8.250  0.01    .     1     .     .     
2     .     1     ASN   HA    H   1  4.560  0.01    .     1     .     .     
3     .     1     ASN   HB2   H   1  2.630  0.01    .     .     .     .     
4     .     1     ASN   HB3   H   1  2.630  0.01    .     .     .     .     
5     .     1     ASN   HD21  H   1  7.280  0.01    .     .     .     .     
6     .     1     ASN   HD22  H   1  6.900  0.01    .     .     .     .     
9     .     2     SER   H     H   1  8.140  0.01    .     1     .     .     
10    .     2     SER   HA    H   1  4.330  0.01    .     1     .     .     
11    .     2     SER   HB2   H   1  3.960  0.01    .     .     .     .     
12    .     2     SER   HB3   H   1  3.790  0.01    .     .     .     .     
13    .     2     SER   HG    H   1     @     @     .     1     .     .     
16    .     3     GLY   H     H   1  8.340  0.01    .     1     .     .     
17    .     3     GLY   HA2   H   1  4.110  0.01    .     .     .     .     
18    .     3     GLY   HA3   H   1  3.840  0.01    .     .     .     .     
20    .     4     LEU   H     H   1  7.880  0.01    .     1     .     .     
21    .     4     LEU   HA    H   1  4.240  0.01    .     1     .     .     
22    .     4     LEU   HB2   H   1  1.680  0.01    .     .     .     .     
23    .     4     LEU   HB3   H   1  1.610  0.01    .     .     .     .     
24    .     4     LEU   HG    H   1  1.310  0.01    .     1     .     .     
25    .     4     LEU   MD1   H   1  0.890  0.01    .     .     .     .     
26    .     4     LEU   MD2   H   1     @     @     .     .     .     .     
28    .     5     SER   H     H   1  8.300  0.01    .     1     .     .     
29    .     5     SER   HA    H   1  4.280  0.01    .     1     .     .     
30    .     5     SER   HB2   H   1  3.780  0.01    .     .     .     .     
31    .     5     SER   HB3   H   1  3.740  0.01    .     .     .     .     
32    .     5     SER   HG    H   1     @     @     .     1     .     .     
35    .     6     PHE   H     H   1  8.250  0.01    .     1     .     .     
36    .     6     PHE   HA    H   1  4.590  0.01    .     1     .     .     
37    .     6     PHE   HB2   H   1  2.940  0.01    .     .     .     .     
38    .     6     PHE   HB3   H   1  2.670  0.01    .     .     .     .     
39    .     6     PHE   HD1   H   1  7.880  0.01    .     .     .     .     
40    .     6     PHE   HD2   H   1  7.480  0.01    .     .     .     .     
41    .     6     PHE   HE1   H   1     @     @     .     .     .     .     
42    .     6     PHE   HE2   H   1     @     @     .     .     .     .     
43    .     6     PHE   HZ    H   1     @     @     .     1     .     .     
45    .     7     GLU   H     H   1  8.060  0.01    .     1     .     .     
46    .     7     GLU   HA    H   1  4.280  0.01    .     1     .     .     
47    .     7     GLU   HB2   H   1  1.930  0.01    .     .     .     .     
48    .     7     GLU   HB3   H   1  1.930  0.01    .     .     .     .     
49    .     7     GLU   HG2   H   1  2.320  0.01    .     .     .     .     
50    .     7     GLU   HG3   H   1  2.320  0.01    .     .     .     .     
51    .     7     GLU   HE2   H   1     @     @     .     1     .     .     
55    .     8     GLU   H     H   1  7.820  0.01    .     1     .     .     
56    .     8     GLU   HA    H   1  3.800  0.01    .     1     .     .     
57    .     8     GLU   HB2   H   1  1.960  0.01    .     .     .     .     
58    .     8     GLU   HB3   H   1  1.960  0.01    .     .     .     .     
59    .     8     GLU   HG2   H   1  2.360  0.01    .     .     .     .     
60    .     8     GLU   HG3   H   1  2.360  0.01    .     .     .     .     
61    .     8     GLU   HE2   H   1     @     @     .     1     .     .     
65    .     9     MK8   H     H   1  7.730  0.01    .     1     .     .     
66    .     9     MK8   HB3   H   1  1.680  0.01    .     1     .     .     
67    .     9     MK8   HBA   H   1  1.500  0.01    .     .     .     .     
68    .     9     MK8   HG3   H   1  0.960  0.01    .     .     .     .     
69    .     9     MK8   HD3   H   1  1.921  0.01    .     .     .     .     
70    .     9     MK8   HE    H   1  5.530  0.01    .     .     .     .     
71    .     9     MK8   HB2   H   1  1.890  0.01    .     .     .     .     
72    .     9     MK8   HDA   H   1  2.300  0.01    .     .     .     .     
73    .     9     MK8   HGA   H   1  1.260  0.01    .     .     .     .     
77    .     10    TYR   H     H   1  7.690  0.01    .     1     .     .     
78    .     10    TYR   HA    H   1  3.814  0.01    .     1     .     .     
79    .     10    TYR   HB2   H   1  2.830  0.01    .     .     .     .     
80    .     10    TYR   HB3   H   1  2.600  0.01    .     .     .     .     
81    .     10    TYR   HD1   H   1  6.930  0.01    .     .     .     .     
82    .     10    TYR   HD2   H   1  6.640  0.01    .     .     .     .     
83    .     10    TYR   HE1   H   1     @     @     .     .     .     .     
84    .     10    TYR   HE2   H   1     @     @     .     .     .     .     
85    .     10    TYR   HH    H   1     @     @     .     1     .     .     
88    .     11    ARG   H     H   1  7.880  0.01    .     1     .     .     
89    .     11    ARG   HA    H   1  3.970  0.01    .     1     .     .     
90    .     11    ARG   HB2   H   1  1.670  0.01    .     .     .     .     
91    .     11    ARG   HB3   H   1  1.580  0.01    .     .     .     .     
92    .     11    ARG   HG2   H   1  1.280  0.01    .     .     .     .     
93    .     11    ARG   HG3   H   1  1.280  0.01    .     .     .     .     
94    .     11    ARG   HD2   H   1     @     @     .     .     .     .     
95    .     11    ARG   HD3   H   1     @     @     .     .     .     .     
96    .     11    ARG   HE    H   1  6.970  0.01    .     1     .     .     
97    .     11    ARG   HH11  H   1     @     @     .     .     .     .     
98    .     11    ARG   HH12  H   1     @     @     .     .     .     .     
99    .     11    ARG   HH21  H   1     @     @     .     .     .     .     
100   .     11    ARG   HH22  H   1     @     @     .     .     .     .     
102   .     12    ASN   H     H   1  8.061  0.01    .     1     .     .     
103   .     12    ASN   HA    H   1  3.783  0.01    .     1     .     .     
104   .     12    ASN   HB2   H   1  2.990  0.01    .     .     .     .     
105   .     12    ASN   HB3   H   1  2.640  0.01    .     .     .     .     
106   .     12    ASN   HD21  H   1     @     @     .     .     .     .     
107   .     12    ASN   HD22  H   1     @     @     .     .     .     .     
110   .     13    MK8   H     H   1  8.140  0.01    .     1     .     .     
111   .     13    MK8   HB3   H   1  1.530  0.01    .     1     .     .     
112   .     13    MK8   HBA   H   1  1.380  0.01    .     .     .     .     
113   .     13    MK8   HG3   H   1  1.030  0.01    .     .     .     .     
114   .     13    MK8   HD3   H   1  1.670  0.01    .     .     .     .     
115   .     13    MK8   HE    H   1  5.340  0.01    .     .     .     .     
116   .     13    MK8   HB2   H   1  1.440  0.01    .     .     .     .     
117   .     13    MK8   HDA   H   1  1.550  0.01    .     .     .     .     
118   .     13    MK8   HGA   H   1  0.930  0.01    .     .     .     .     
122   .     14    TYR   H     H   1  7.990  0.01    .     1     .     .     
123   .     14    TYR   HA    H   1  4.410  0.01    .     1     .     .     
124   .     14    TYR   HB2   H   1  3.040  0.01    .     .     .     .     
125   .     14    TYR   HB3   H   1  2.850  0.01    .     .     .     .     
126   .     14    TYR   HD1   H   1  6.990  0.01    .     .     .     .     
127   .     14    TYR   HD2   H   1  6.670  0.01    .     .     .     .     
128   .     14    TYR   HE1   H   1     @     @     .     .     .     .     
129   .     14    TYR   HE2   H   1     @     @     .     .     .     .     
130   .     14    TYR   HH    H   1     @     @     .     1     .     .     
133   .     15    THR   H     H   1  7.870  0.01    .     1     .     .     
134   .     15    THR   HA    H   1  4.070  0.01    .     1     .     .     
135   .     15    THR   HB    H   1  3.960  0.01    .     1     .     .     
136   .     15    THR   HG1   H   1     @     @     .     1     .     .     
137   .     15    THR   MG    H   1  1.460  0.01    .     1     .     .     
140   .     16    MET   H     H   1  7.930  0.01    .     1     .     .     
141   .     16    MET   HA    H   1  4.220  0.01    .     1     .     .     
142   .     16    MET   HB2   H   1  2.100  0.01    .     .     .     .     
143   .     16    MET   HB3   H   1  1.920  0.01    .     .     .     .     
144   .     16    MET   HG2   H   1  2.400  0.01    .     .     .     .     
145   .     16    MET   HG3   H   1  2.400  0.01    .     .     .     .     
146   .     16    MET   ME    H   1     @     @     .     1     .     .     
149   .     17    VAL   H     H   1  7.700  0.01    .     1     .     .     
150   .     17    VAL   HA    H   1  3.820  0.01    .     1     .     .     
151   .     17    VAL   HB    H   1  1.970  0.01    .     1     .     .     
152   .     17    VAL   MG1   H   1  0.800  0.01    .     .     .     .     
153   .     17    VAL   MG2   H   1  0.720  0.01    .     .     .     .     
155   .     18    LEU   H     H   1  7.810  0.01    .     1     .     .     
156   .     18    LEU   HA    H   1  3.800  0.01    .     1     .     .     
157   .     18    LEU   HB2   H   1  1.960  0.01    .     .     .     .     
158   .     18    LEU   HB3   H   1  1.838  0.01    .     .     .     .     
159   .     18    LEU   HG    H   1  1.400  0.01    .     1     .     .     
160   .     18    LEU   MD1   H   1  0.800  0.01    .     .     .     .     
161   .     18    LEU   MD2   H   1     @     @     .     .     .     .     
163   .     19    HIS   H     H   1  8.000  0.01    .     1     .     .     
164   .     19    HIS   HA    H   1  4.530  0.01    .     1     .     .     
165   .     19    HIS   HB2   H   1  3.022  0.01    .     .     .     .     
166   .     19    HIS   HB3   H   1  2.877  0.01    .     .     .     .     
167   .     19    HIS   HD1   H   1  7.140  0.01    .     1     .     .     
168   .     19    HIS   HD2   H   1  7.140  0.01    .     1     .     .     
169   .     19    HIS   HE1   H   1  8.470  0.01    .     1     .     .     
170   .     19    HIS   HE2   H   1  8.470  0.01    .     1     .     .     
172   .     20    LYS   H     H   1  7.580  0.01    .     1     .     .     
173   .     20    LYS   HA    H   1  4.071  0.01    .     1     .     .     
174   .     20    LYS   HB2   H   1  1.810  0.01    .     .     .     .     
175   .     20    LYS   HB3   H   1  1.650  0.01    .     .     .     .     
176   .     20    LYS   HG2   H   1  1.510  0.01    .     .     .     .     
177   .     20    LYS   HG3   H   1  1.270  0.01    .     .     .     .     
178   .     20    LYS   HD2   H   1  1.650  0.01    .     .     .     .     
179   .     20    LYS   HD3   H   1  1.430  0.01    .     .     .     .     
180   .     20    LYS   HE2   H   1  3.060  0.01    .     .     .     .     
181   .     20    LYS   HE3   H   1  2.910  0.01    .     .     .     .     
182   .     20    LYS   QZ    H   1     @     @     .     1     .     .     

stop_

# The following table is used to define sets of ambiguous Atom-shift
# assignments with ambiguity codes of 4 or 5 taken from the above list
# of assigned chemical shifts.  Each set of ambiguous chemical shift
# assignments should be given a unique 'Set_ID'. As shown in the example
# below, the 'Set_ID' is given in the first column of the table and the
# 'Atom_chem_shift.ID' for the chemical shift assignment that is a
# member of the set is given in the second column (should have an
# ambiguity code of 4 or 5).  In the example, the first set (Set_ID = 1)
# has two members with Atom_chem_shift.IDs 158 and 171).  Each set
# indicates that the observed chemical shifts are related to the defined
# atoms, but have not been assigned uniquely to a specific atom in the
# set.

loop_
    _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
    _Ambiguous_atom_chem_shift.Atom_chem_shift_ID
 
#
#            Set_ID              Atom_chem_shift_ID
              @                    @
              @                    @

#
#    ------------------------------------------
# Example:    1                    158
#             1                    171
#             2                    234
#             2                    257

stop_
                                  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASN   1           H        ASN   1   1.808   0.001   0.855
    2    HA   ASN   1           HA       ASN   1   2.921  -0.683  -1.121
    3    HB2  ASN   1           2HB      ASN   1   0.469  -1.159  -2.023
    4    HB3  ASN   1           3HB      ASN   1   0.734   0.370  -2.856
    5   HD21  ASN   1          1HD2      ASN   1   1.300  -2.953  -2.861
    6   HD22  ASN   1          2HD2      ASN   1   2.401  -3.015  -4.191
    7    H    SER   2           H        SER   2   4.485   0.648  -1.764
    8    HA   SER   2           HA       SER   2   3.935   3.303  -2.730
    9    HB2  SER   2           2HB      SER   2   4.214   3.128  -0.015
   10    HB3  SER   2           3HB      SER   2   5.875   3.439  -0.517
   11    HG   SER   2           HG       SER   2   5.236   5.329  -1.457
   12    H    GLY   3           H        GLY   3   6.375   1.003  -1.586
   13    HA2  GLY   3           2HA      GLY   3   7.835   0.397  -3.646
   14    HA3  GLY   3           3HA      GLY   3   8.284   2.093  -3.537
   15    H    LEU   4           H        LEU   4  10.291   2.197  -2.779
   16    HA   LEU   4           HA       LEU   4  10.943   1.500  -0.146
   17    HB2  LEU   4           2HB      LEU   4  10.989  -0.769  -0.718
   18    HB3  LEU   4           3HB      LEU   4  11.759  -0.451  -2.271
   19    HG   LEU   4           HG       LEU   4  13.842   0.145  -1.060
   20   HD11  LEU   4          1HD1      LEU   4  12.221  -0.717   1.324
   21   HD12  LEU   4          2HD1      LEU   4  13.034   0.826   1.063
   22   HD13  LEU   4          3HD1      LEU   4  13.983  -0.637   1.323
   23   HD21  LEU   4          3HD2      LEU   4  14.399  -2.177  -0.396
   24   HD22  LEU   4          1HD2      LEU   4  13.612  -2.069  -1.971
   25   HD23  LEU   4          2HD2      LEU   4  12.693  -2.598  -0.561
   26    H    SER   5           H        SER   5  12.381   1.706  -3.394
   27    HA   SER   5           HA       SER   5  14.858   2.743  -2.650
   28    HB2  SER   5           2HB      SER   5  13.255   3.152  -5.183
   29    HB3  SER   5           3HB      SER   5  14.933   3.660  -4.991
   30    HG   SER   5           HG       SER   5  15.576   1.625  -5.049
   31    H    PHE   6           H        PHE   6  11.751   4.288  -2.973
   32    HA   PHE   6           HA       PHE   6  12.725   6.970  -3.005
   33    HB2  PHE   6           2HB      PHE   6  10.164   5.641  -3.103
   34    HB3  PHE   6           3HB      PHE   6  10.111   6.989  -1.972
   35    HD1  PHE   6           HD1      PHE   6  10.912   6.066  -5.463
   36    HD2  PHE   6           HD2      PHE   6  10.008   9.204  -2.733
   37    HE1  PHE   6           HE1      PHE   6  10.663   7.628  -7.347
   38    HE2  PHE   6           HE2      PHE   6   9.756  10.771  -4.613
   39    HZ   PHE   6           HZ       PHE   6  10.083   9.984  -6.924
   40    H    GLU   7           H        GLU   7  11.574   4.775  -0.489
   41    HA   GLU   7           HA       GLU   7  11.661   6.697   1.609
   42    HB2  GLU   7           2HB      GLU   7  10.480   4.331   1.431
   43    HB3  GLU   7           3HB      GLU   7  11.979   3.783   2.169
   44    HG2  GLU   7           2HG      GLU   7  11.052   6.067   3.589
   45    HG3  GLU   7           3HG      GLU   7   9.720   4.925   3.415
   46    H    GLU   8           H        GLU   8  14.013   4.661   0.094
   47    HA   GLU   8           HA       GLU   8  15.927   4.812   2.241
   48    HB2  GLU   8           2HB      GLU   8  15.722   2.952   0.483
   49    HB3  GLU   8           3HB      GLU   8  16.537   4.062  -0.610
   50    HG2  GLU   8           2HG      GLU   8  18.073   4.041   1.725
   51    HG3  GLU   8           3HG      GLU   8  17.636   2.361   1.420
   52    H2   MK8   9           H        MK8   9  15.231   6.613  -0.771
   53    HB   MK8   9           2HB      MK8   9  15.346   8.219  -2.447
   54    HBA  MK8   9           3HB      MK8   9  16.333   9.670  -2.343
   55    HD   MK8   9           2HD      MK8   9  18.532   9.082  -4.656
   56    HDA  MK8   9           3HD      MK8   9  18.480   9.805  -3.036
   57    HE   MK8   9           HE       MK8   9  20.114   7.767  -2.194
   58    HG   MK8   9           2HG      MK8   9  17.791   7.011  -2.806
   59    HGA  MK8   9           3HG      MK8   9  16.827   7.649  -4.135
   60    HB1  MK8   9           HBA      MK8   9  18.813   8.849  -0.995
   61   HB1A  MK8   9          HGA       MK8   9  18.626   8.259   0.371
   62   HB1B  MK8   9          HDA       MK8   9  18.733   7.361  -0.826
   63    H    TYR  10           H        TYR  10  14.785   7.923   0.719
   64    HA   TYR  10           HA       TYR  10  14.452  10.689   1.535
   65    HB2  TYR  10           2HB      TYR  10  12.478   9.347   0.937
   66    HB3  TYR  10           3HB      TYR  10  12.840   8.228   2.246
   67    HD1  TYR  10           HD2      TYR  10  12.622  11.954   1.956
   68    HD2  TYR  10           HD1      TYR  10  11.368   8.440   4.001
   69    HE1  TYR  10           HE2      TYR  10  11.290  13.333   3.496
   70    HE2  TYR  10           HE1      TYR  10  10.031   9.809   5.546
   71    HH   TYR  10           HH       TYR  10  10.206  13.306   5.523
   72    H    ARG  11           H        ARG  11  16.224   8.083   2.593
   73    HA   ARG  11           HA       ARG  11  16.409   9.227   5.296
   74    HB2  ARG  11           2HB      ARG  11  15.285   6.770   4.778
   75    HB3  ARG  11           3HB      ARG  11  16.952   6.352   5.152
   76    HG2  ARG  11           2HG      ARG  11  15.836   8.269   7.027
   77    HG3  ARG  11           3HG      ARG  11  14.929   6.756   6.968
   78    HD2  ARG  11           2HD      ARG  11  17.226   5.615   7.142
   79    HD3  ARG  11           3HD      ARG  11  17.816   7.196   7.653
   80    HE   ARG  11           HE       ARG  11  15.686   6.752   9.275
   81   HH11  ARG  11          1HH1      ARG  11  18.552   4.936   8.493
   82   HH12  ARG  11          2HH1      ARG  11  18.643   4.164  10.041
   83   HH21  ARG  11          1HH2      ARG  11  15.795   5.741  11.317
   84   HH22  ARG  11          2HH2      ARG  11  17.074   4.622  11.646
   85    H    ASN  12           H        ASN  12  17.956   8.781   2.498
   86    HA   ASN  12           HA       ASN  12  20.577   8.559   3.818
   87    HB2  ASN  12           2HB      ASN  12  19.636   6.597   2.225
   88    HB3  ASN  12           3HB      ASN  12  20.380   7.632   1.009
   89   HD21  ASN  12          1HD2      ASN  12  22.637   8.364   1.575
   90   HD22  ASN  12          2HD2      ASN  12  23.687   7.174   2.257
   91    H2   MK8  13           H        MK8  13  18.566  10.023   1.260
   92    HB   MK8  13           2HB      MK8  13  18.434  10.832  -0.929
   93    HBA  MK8  13           3HB      MK8  13  18.519  12.587  -0.987
   94    HD   MK8  13           2HD      MK8  13  22.066  10.559  -1.673
   95    HDA  MK8  13           3HD      MK8  13  20.638   9.597  -1.240
   96    HE   MK8  13           HE       MK8  13  20.611  10.368  -4.125
   97    HG   MK8  13           2HG      MK8  13  19.659  11.596  -2.984
   98    HGA  MK8  13           3HG      MK8  13  20.826  12.475  -1.999
   99    HB1  MK8  13           HBA      MK8  13  21.839  12.256   1.198
  100   HB1A  MK8  13          HGA       MK8  13  21.908  11.140   0.198
  101   HB1B  MK8  13          HDA       MK8  13  21.667  12.547  -0.263
  102    H    TYR  14           H        TYR  14  17.632  11.638   1.645
  103    HA   TYR  14           HA       TYR  14  17.245  14.378   2.253
  104    HB2  TYR  14           2HB      TYR  14  15.687  12.045   2.288
  105    HB3  TYR  14           3HB      TYR  14  15.686  12.631   3.948
  106    HD1  TYR  14           HD2      TYR  14  15.189  13.861   0.458
  107    HD2  TYR  14           HD1      TYR  14  14.141  14.242   4.564
  108    HE1  TYR  14           HE2      TYR  14  13.481  15.528  -0.139
  109    HE2  TYR  14           HE1      TYR  14  12.429  15.909   3.979
  110    HH   TYR  14           HH       TYR  14  11.061  16.512   1.964
  111    H    THR  15           H        THR  15  18.597  11.678   4.017
  112    HA   THR  15           HA       THR  15  18.625  13.007   6.558
  113    HB   THR  15           HB       THR  15  20.124  10.551   5.624
  114    HG1  THR  15           HG1      THR  15  17.915  10.592   7.389
  115   HG21  THR  15          1HG2      THR  15  20.065  10.202   8.234
  116   HG22  THR  15          2HG2      THR  15  19.980  11.964   8.248
  117   HG23  THR  15          3HG2      THR  15  21.344  11.152   7.479
  118    H    MET  16           H        MET  16  20.660  12.964   3.782
  119    HA   MET  16           HA       MET  16  23.011  13.889   5.201
  120    HB2  MET  16           2HB      MET  16  22.947  12.414   3.072
  121    HB3  MET  16           3HB      MET  16  22.677  13.927   2.216
  122    HG2  MET  16           2HG      MET  16  24.847  14.319   2.212
  123    HG3  MET  16           3HG      MET  16  24.859  14.312   3.974
  124    HE1  MET  16           3HE      MET  16  27.006  11.902   4.949
  125    HE2  MET  16           1HE      MET  16  25.631  12.932   5.350
  126    HE3  MET  16           2HE      MET  16  25.415  11.187   5.213
  127    H    VAL  17           H        VAL  17  20.298  15.229   3.528
  128    HA   VAL  17           HA       VAL  17  21.479  17.805   3.051
  129    HB   VAL  17           HB       VAL  17  18.564  17.006   3.033
  130   HG11  VAL  17          1HG1      VAL  17  20.020  19.495   2.230
  131   HG12  VAL  17          2HG1      VAL  17  18.509  19.043   1.439
  132   HG13  VAL  17          3HG1      VAL  17  18.545  19.321   3.181
  133   HG21  VAL  17          3HG2      VAL  17  19.714  17.487   0.446
  134   HG22  VAL  17          1HG2      VAL  17  20.631  16.244   1.298
  135   HG23  VAL  17          2HG2      VAL  17  18.895  16.048   1.054
  136    H    LEU  18           H        LEU  18  19.352  16.388   5.487
  137    HA   LEU  18           HA       LEU  18  18.899  18.852   6.867
  138    HB2  LEU  18           2HB      LEU  18  17.625  17.632   8.356
  139    HB3  LEU  18           3HB      LEU  18  17.477  16.703   6.866
  140    HG   LEU  18           HG       LEU  18  19.526  15.391   7.956
  141   HD11  LEU  18          1HD1      LEU  18  18.345  16.958  10.138
  142   HD12  LEU  18          2HD1      LEU  18  19.931  16.198  10.010
  143   HD13  LEU  18          3HD1      LEU  18  18.526  15.235  10.469
  144   HD21  LEU  18          3HD2      LEU  18  17.125  14.683   7.275
  145   HD22  LEU  18          1HD2      LEU  18  16.790  14.791   9.003
  146   HD23  LEU  18          2HD2      LEU  18  18.032  13.686   8.414
  147    H    HIS  19           H        HIS  19  21.263  16.294   7.045
  148    HA   HIS  19           HA       HIS  19  22.309  16.996   9.604
  149    HB2  HIS  19           2HB      HIS  19  22.756  14.788   8.916
  150    HB3  HIS  19           3HB      HIS  19  23.317  15.303   7.328
  151    HD1  HIS  19           HD1      HIS  19  25.720  16.418   7.248
  152    HD2  HIS  19           HD2      HIS  19  24.696  14.638  10.860
  153    HE1  HIS  19           HE1      HIS  19  27.880  16.168   8.510
  154    H    LYS  20           H        LYS  20  23.528  17.500   6.291
  155    HA   LYS  20           HA       LYS  20  25.668  19.183   7.111
  156    HB2  LYS  20           2HB      LYS  20  25.893  18.034   5.034
  157    HB3  LYS  20           3HB      LYS  20  24.368  18.676   4.437
  158    HG2  LYS  20           2HG      LYS  20  26.185  20.805   5.130
  159    HG3  LYS  20           3HG      LYS  20  26.916  19.686   3.976
  160    HD2  LYS  20           2HD      LYS  20  25.835  20.968   2.464
  161    HD3  LYS  20           3HD      LYS  20  24.460  19.948   2.895
  162    HE2  LYS  20           2HE      LYS  20  23.416  21.608   4.033
  163    HE3  LYS  20           3HE      LYS  20  24.927  22.318   4.598
  164    HZ1  LYS  20           3HZ      LYS  20  24.509  23.887   3.088
  165    HZ2  LYS  20           1HZ      LYS  20  23.363  22.949   2.268
  166    HZ3  LYS  20           2HZ      LYS  20  25.010  22.758   1.932
  Start of MODEL    2
    1    H1   ASN   1           H        ASN   1   4.915   2.173  -8.009
    2    HA   ASN   1           HA       ASN   1   7.371   3.466  -7.017
    3    HB2  ASN   1           2HB      ASN   1   4.643   3.323  -5.907
    4    HB3  ASN   1           3HB      ASN   1   5.930   2.989  -4.751
    5   HD21  ASN   1          1HD2      ASN   1   7.766   4.594  -4.821
    6   HD22  ASN   1          2HD2      ASN   1   7.330   6.260  -4.962
    7    H    SER   2           H        SER   2   8.836   2.243  -5.946
    8    HA   SER   2           HA       SER   2   8.690  -0.588  -6.213
    9    HB2  SER   2           2HB      SER   2  10.698   1.367  -5.585
   10    HB3  SER   2           3HB      SER   2  10.759   0.067  -4.395
   11    HG   SER   2           HG       SER   2  10.992  -1.409  -6.075
   12    H    GLY   3           H        GLY   3   8.299   1.662  -3.525
   13    HA2  GLY   3           2HA      GLY   3   6.804   1.171  -1.721
   14    HA3  GLY   3           3HA      GLY   3   7.129  -0.538  -1.964
   15    H    LEU   4           H        LEU   4   9.733   1.762  -1.950
   16    HA   LEU   4           HA       LEU   4  10.361   1.789   0.771
   17    HB2  LEU   4           2HB      LEU   4  10.711  -0.523   0.772
   18    HB3  LEU   4           3HB      LEU   4  11.497  -0.493  -0.805
   19    HG   LEU   4           HG       LEU   4  13.437   0.654   0.250
   20   HD11  LEU   4          1HD1      LEU   4  11.644   0.962   2.392
   21   HD12  LEU   4          2HD1      LEU   4  13.334   1.458   2.311
   22   HD13  LEU   4          3HD1      LEU   4  12.911  -0.130   2.949
   23   HD21  LEU   4          3HD2      LEU   4  13.617  -1.686  -0.118
   24   HD22  LEU   4          1HD2      LEU   4  12.601  -2.050   1.277
   25   HD23  LEU   4          2HD2      LEU   4  14.214  -1.376   1.514
   26    H    SER   5           H        SER   5  11.540   1.735  -2.534
   27    HA   SER   5           HA       SER   5  14.032   2.884  -2.251
   28    HB2  SER   5           2HB      SER   5  12.980   2.057  -4.390
   29    HB3  SER   5           3HB      SER   5  12.087   3.577  -4.461
   30    HG   SER   5           HG       SER   5  13.820   4.525  -5.164
   31    H    PHE   6           H        PHE   6  10.879   4.369  -2.019
   32    HA   PHE   6           HA       PHE   6  11.801   7.068  -2.147
   33    HB2  PHE   6           2HB      PHE   6   9.551   7.668  -1.426
   34    HB3  PHE   6           3HB      PHE   6   9.473   6.429  -2.674
   35    HD1  PHE   6           HD2      PHE   6   8.755   4.174  -2.148
   36    HD2  PHE   6           HD1      PHE   6   8.901   7.197   0.845
   37    HE1  PHE   6           HE2      PHE   6   7.374   2.773  -0.670
   38    HE2  PHE   6           HE1      PHE   6   7.522   5.800   2.328
   39    HZ   PHE   6           HZ       PHE   6   6.755   3.586   1.571
   40    H    GLU   7           H        GLU   7  11.176   4.770   0.445
   41    HA   GLU   7           HA       GLU   7  11.519   6.659   2.559
   42    HB2  GLU   7           2HB      GLU   7  10.540   4.093   2.382
   43    HB3  GLU   7           3HB      GLU   7  12.069   3.859   3.219
   44    HG2  GLU   7           2HG      GLU   7  11.426   5.200   5.018
   45    HG3  GLU   7           3HG      GLU   7  10.101   5.931   4.114
   46    H    GLU   8           H        GLU   8  13.645   4.736   0.628
   47    HA   GLU   8           HA       GLU   8  15.871   4.888   2.454
   48    HB2  GLU   8           2HB      GLU   8  15.243   3.259   0.327
   49    HB3  GLU   8           3HB      GLU   8  16.488   4.299  -0.349
   50    HG2  GLU   8           2HG      GLU   8  17.462   3.556   2.146
   51    HG3  GLU   8           3HG      GLU   8  16.729   2.095   1.488
   52    H2   MK8   9           H        MK8   9  14.661   6.721  -0.369
   53    HB   MK8   9           2HB      MK8   9  14.465   8.360  -2.003
   54    HBA  MK8   9           3HB      MK8   9  15.427   9.831  -2.032
   55    HD   MK8   9           2HD      MK8   9  17.225   9.337  -4.688
   56    HDA  MK8   9           3HD      MK8   9  17.429  10.027  -3.065
   57    HE   MK8   9           HE       MK8   9  19.215   8.004  -2.554
   58    HG   MK8   9           2HG      MK8   9  16.838   7.214  -2.788
   59    HGA  MK8   9           3HG      MK8   9  15.656   7.857  -3.926
   60    HB1  MK8   9           HBA      MK8   9  18.112   9.041  -1.132
   61   HB1A  MK8   9          HGA       MK8   9  18.165   8.421   0.233
   62   HB1B  MK8   9          HDA       MK8   9  18.089   7.548  -0.985
   63    H    TYR  10           H        TYR  10  14.443   7.994   1.206
   64    HA   TYR  10           HA       TYR  10  14.197  10.736   2.125
   65    HB2  TYR  10           2HB      TYR  10  12.172   9.384   1.841
   66    HB3  TYR  10           3HB      TYR  10  12.772   8.220   3.018
   67    HD1  TYR  10           HD2      TYR  10  11.696  11.752   2.627
   68    HD2  TYR  10           HD1      TYR  10  12.379   8.525   5.314
   69    HE1  TYR  10           HE2      TYR  10  10.629  13.037   4.432
   70    HE2  TYR  10           HE1      TYR  10  11.313   9.800   7.127
   71    HH   TYR  10           HH       TYR  10  10.900  12.911   7.190
   72    H    ARG  11           H        ARG  11  16.159   8.139   2.825
   73    HA   ARG  11           HA       ARG  11  16.772   9.243   5.481
   74    HB2  ARG  11           2HB      ARG  11  15.765   6.648   4.931
   75    HB3  ARG  11           3HB      ARG  11  17.451   6.464   5.398
   76    HG2  ARG  11           2HG      ARG  11  17.097   7.307   7.516
   77    HG3  ARG  11           3HG      ARG  11  15.630   8.166   7.040
   78    HD2  ARG  11           2HD      ARG  11  15.062   5.498   6.531
   79    HD3  ARG  11           3HD      ARG  11  15.960   5.468   8.048
   80    HE   ARG  11           HE       ARG  11  13.940   7.467   8.081
   81   HH11  ARG  11          1HH1      ARG  11  14.456   4.035   8.365
   82   HH12  ARG  11          2HH1      ARG  11  13.052   3.773   9.346
   83   HH21  ARG  11          1HH2      ARG  11  12.089   7.134   9.372
   84   HH22  ARG  11          2HH2      ARG  11  11.706   5.536   9.917
   85    H    ASN  12           H        ASN  12  17.843   8.883   2.457
   86    HA   ASN  12           HA       ASN  12  20.650   8.696   3.320
   87    HB2  ASN  12           2HB      ASN  12  19.495   6.743   1.861
   88    HB3  ASN  12           3HB      ASN  12  20.008   7.816   0.562
   89   HD21  ASN  12          1HD2      ASN  12  21.243   6.373   3.555
   90   HD22  ASN  12          2HD2      ASN  12  22.828   6.052   2.947
   91    H2   MK8  13           H        MK8  13  18.214  10.163   1.164
   92    HB   MK8  13           2HB      MK8  13  17.713  11.004  -0.960
   93    HBA  MK8  13           3HB      MK8  13  17.749  12.762  -0.993
   94    HD   MK8  13           2HD      MK8  13  21.177  10.830  -2.295
   95    HDA  MK8  13           3HD      MK8  13  19.859   9.829  -1.655
   96    HE   MK8  13           HE       MK8  13  19.346  10.655  -4.479
   97    HG   MK8  13           2HG      MK8  13  18.571  11.839  -3.170
   98    HGA  MK8  13           3HG      MK8  13  19.866  12.724  -2.366
   99    HB1  MK8  13           HBA      MK8  13  21.387  12.469   0.618
  100   HB1A  MK8  13          HGA       MK8  13  21.315  11.378  -0.409
  101   HB1B  MK8  13          HDA       MK8  13  20.974  12.789  -0.788
  102    H    TYR  14           H        TYR  14  17.317  11.749   1.719
  103    HA   TYR  14           HA       TYR  14  17.013  14.476   2.456
  104    HB2  TYR  14           2HB      TYR  14  15.379  12.288   2.492
  105    HB3  TYR  14           3HB      TYR  14  15.746  12.473   4.203
  106    HD1  TYR  14           HD1      TYR  14  14.805  14.643   1.301
  107    HD2  TYR  14           HD2      TYR  14  14.291  13.764   5.433
  108    HE1  TYR  14           HE1      TYR  14  13.118  16.425   1.464
  109    HE2  TYR  14           HE2      TYR  14  12.602  15.543   5.607
  110    HH   TYR  14           HH       TYR  14  12.101  17.850   3.132
  111    H    THR  15           H        THR  15  18.565  11.705   3.928
  112    HA   THR  15           HA       THR  15  18.964  12.959   6.478
  113    HB   THR  15           HB       THR  15  20.272  10.508   5.284
  114    HG1  THR  15           HG1      THR  15  17.976  10.944   6.878
  115   HG21  THR  15          1HG2      THR  15  20.487  11.825   7.959
  116   HG22  THR  15          2HG2      THR  15  21.742  11.072   6.975
  117   HG23  THR  15          3HG2      THR  15  20.584  10.069   7.847
  118    H    MET  16           H        MET  16  20.588  12.978   3.447
  119    HA   MET  16           HA       MET  16  23.134  13.817   4.552
  120    HB2  MET  16           2HB      MET  16  22.754  12.407   2.415
  121    HB3  MET  16           3HB      MET  16  22.385  13.943   1.644
  122    HG2  MET  16           2HG      MET  16  24.573  14.783   2.125
  123    HG3  MET  16           3HG      MET  16  24.951  13.363   3.098
  124    HE1  MET  16           3HE      MET  16  27.340  12.274   0.571
  125    HE2  MET  16           1HE      MET  16  26.975  12.934   2.166
  126    HE3  MET  16           2HE      MET  16  26.498  11.284   1.764
  127    H    VAL  17           H        VAL  17  20.243  15.249   3.308
  128    HA   VAL  17           HA       VAL  17  21.398  17.820   2.745
  129    HB   VAL  17           HB       VAL  17  18.502  17.024   3.077
  130   HG11  VAL  17          1HG1      VAL  17  19.833  19.599   2.528
  131   HG12  VAL  17          2HG1      VAL  17  18.441  19.211   1.516
  132   HG13  VAL  17          3HG1      VAL  17  18.270  19.263   3.271
  133   HG21  VAL  17          3HG2      VAL  17  19.311  17.703   0.404
  134   HG22  VAL  17          1HG2      VAL  17  20.324  16.408   1.041
  135   HG23  VAL  17          2HG2      VAL  17  18.571  16.219   1.005
  136    H    LEU  18           H        LEU  18  19.598  16.361   5.409
  137    HA   LEU  18           HA       LEU  18  19.384  18.789   6.906
  138    HB2  LEU  18           2HB      LEU  18  18.302  17.543   8.521
  139    HB3  LEU  18           3HB      LEU  18  17.934  16.662   7.039
  140    HG   LEU  18           HG       LEU  18  20.088  15.287   7.802
  141   HD11  LEU  18          1HD1      LEU  18  19.714  16.968   9.983
  142   HD12  LEU  18          2HD1      LEU  18  20.710  15.515   9.921
  143   HD13  LEU  18          3HD1      LEU  18  19.044  15.417  10.490
  144   HD21  LEU  18          3HD2      LEU  18  18.631  13.597   8.488
  145   HD22  LEU  18          1HD2      LEU  18  17.653  14.587   7.404
  146   HD23  LEU  18          2HD2      LEU  18  17.464  14.742   9.151
  147    H    HIS  19           H        HIS  19  21.701  16.191   6.687
  148    HA   HIS  19           HA       HIS  19  23.099  16.798   9.097
  149    HB2  HIS  19           2HB      HIS  19  23.408  14.607   8.291
  150    HB3  HIS  19           3HB      HIS  19  23.756  15.163   6.657
  151    HD1  HIS  19           HD1      HIS  19  26.145  16.246   6.280
  152    HD2  HIS  19           HD2      HIS  19  25.592  14.368   9.945
  153    HE1  HIS  19           HE1      HIS  19  28.453  15.926   7.227
  154    H    LYS  20           H        LYS  20  23.865  17.388   5.665
  155    HA   LYS  20           HA       LYS  20  26.128  19.013   6.233
  156    HB2  LYS  20           2HB      LYS  20  26.045  17.928   4.112
  157    HB3  LYS  20           3HB      LYS  20  24.465  18.611   3.749
  158    HG2  LYS  20           2HG      LYS  20  26.398  20.691   4.248
  159    HG3  LYS  20           3HG      LYS  20  26.944  19.599   2.973
  160    HD2  LYS  20           2HD      LYS  20  25.692  20.952   1.666
  161    HD3  LYS  20           3HD      LYS  20  24.374  19.926   2.239
  162    HE2  LYS  20           2HE      LYS  20  23.463  21.577   3.460
  163    HE3  LYS  20           3HE      LYS  20  25.030  22.159   4.020
  164    HZ1  LYS  20           3HZ      LYS  20  24.650  23.875   2.672
  165    HZ2  LYS  20           1HZ      LYS  20  23.410  23.083   1.836
  166    HZ3  LYS  20           2HZ      LYS  20  25.023  22.828   1.396
  Start of MODEL    3
    1    H1   ASN   1           H        ASN   1  11.115  -5.971  -3.054
    2    HA   ASN   1           HA       ASN   1   9.776  -4.432  -1.710
    3    HB2  ASN   1           2HB      ASN   1  10.870  -2.239  -1.125
    4    HB3  ASN   1           3HB      ASN   1  11.517  -3.636  -0.271
    5   HD21  ASN   1          1HD2      ASN   1  12.271  -0.930  -2.045
    6   HD22  ASN   1          2HD2      ASN   1  13.911  -1.310  -2.433
    7    H    SER   2           H        SER   2   8.408  -3.181  -2.848
    8    HA   SER   2           HA       SER   2   9.292  -2.316  -5.513
    9    HB2  SER   2           2HB      SER   2   6.953  -3.664  -4.585
   10    HB3  SER   2           3HB      SER   2   6.464  -2.100  -5.237
   11    HG   SER   2           HG       SER   2   7.865  -4.189  -6.528
   12    H    GLY   3           H        GLY   3   6.776  -1.215  -3.234
   13    HA2  GLY   3           2HA      GLY   3   7.325   1.542  -4.016
   14    HA3  GLY   3           3HA      GLY   3   5.967   0.984  -3.050
   15    H    LEU   4           H        LEU   4   9.449   1.592  -2.967
   16    HA   LEU   4           HA       LEU   4   9.248   2.733  -0.346
   17    HB2  LEU   4           2HB      LEU   4   9.770  -0.030  -0.530
   18    HB3  LEU   4           3HB      LEU   4  11.295   0.745  -0.108
   19    HG   LEU   4           HG       LEU   4   8.824   1.387   1.448
   20   HD11  LEU   4          1HD1      LEU   4   9.344  -1.184   1.152
   21   HD12  LEU   4          2HD1      LEU   4   8.874  -0.509   2.712
   22   HD13  LEU   4          3HD1      LEU   4  10.573  -0.831   2.367
   23   HD21  LEU   4          3HD2      LEU   4  11.134   2.538   1.627
   24   HD22  LEU   4          1HD2      LEU   4  11.620   1.066   2.468
   25   HD23  LEU   4          2HD2      LEU   4  10.304   2.051   3.106
   26    H    SER   5           H        SER   5  10.203   3.322  -3.102
   27    HA   SER   5           HA       SER   5  13.075   3.633  -2.775
   28    HB2  SER   5           2HB      SER   5  11.380   3.337  -4.986
   29    HB3  SER   5           3HB      SER   5  11.967   4.998  -5.080
   30    HG   SER   5           HG       SER   5  13.385   2.590  -5.217
   31    H    PHE   6           H        PHE   6  10.156   5.572  -2.729
   32    HA   PHE   6           HA       PHE   6  11.477   8.099  -2.725
   33    HB2  PHE   6           2HB      PHE   6   8.963   7.437  -3.233
   34    HB3  PHE   6           3HB      PHE   6   8.768   7.761  -1.514
   35    HD1  PHE   6           HD1      PHE   6   9.057  10.001  -0.628
   36    HD2  PHE   6           HD2      PHE   6   9.445   9.207  -4.791
   37    HE1  PHE   6           HE1      PHE   6   8.886  12.410  -1.100
   38    HE2  PHE   6           HE2      PHE   6   9.275  11.614  -5.270
   39    HZ   PHE   6           HZ       PHE   6   8.996  13.219  -3.423
   40    H    GLU   7           H        GLU   7  10.269   5.926  -0.223
   41    HA   GLU   7           HA       GLU   7  10.766   7.713   1.943
   42    HB2  GLU   7           2HB      GLU   7   9.918   4.902   1.623
   43    HB3  GLU   7           3HB      GLU   7  10.757   5.271   3.123
   44    HG2  GLU   7           2HG      GLU   7   9.140   7.055   3.578
   45    HG3  GLU   7           3HG      GLU   7   8.288   6.647   2.089
   46    H    GLU   8           H        GLU   8  12.690   5.465   0.150
   47    HA   GLU   8           HA       GLU   8  14.765   5.239   2.133
   48    HB2  GLU   8           2HB      GLU   8  14.125   4.017  -0.403
   49    HB3  GLU   8           3HB      GLU   8  15.810   4.518  -0.374
   50    HG2  GLU   8           2HG      GLU   8  15.432   3.316   2.087
   51    HG3  GLU   8           3HG      GLU   8  14.505   2.314   0.971
   52    H2   MK8   9           H        MK8   9  14.093   7.288  -0.720
   53    HB   MK8   9           2HB      MK8   9  14.299   8.956  -2.326
   54    HBA  MK8   9           3HB      MK8   9  15.483  10.253  -2.239
   55    HD   MK8   9           2HD      MK8   9  17.395   9.508  -4.753
   56    HDA  MK8   9           3HD      MK8   9  17.569  10.138  -3.103
   57    HE   MK8   9           HE       MK8   9  18.963   7.852  -2.496
   58    HG   MK8   9           2HG      MK8   9  16.519   7.453  -2.945
   59    HGA  MK8   9           3HG      MK8   9  15.553   8.290  -4.158
   60    HB1  MK8   9           HBA      MK8   9  17.922   9.032  -1.145
   61   HB1A  MK8   9          HGA       MK8   9  17.761   8.396   0.204
   62   HB1B  MK8   9          HDA       MK8   9  17.651   7.560  -1.036
   63    H    TYR  10           H        TYR  10  13.949   8.558   0.859
   64    HA   TYR  10           HA       TYR  10  14.064  11.292   1.826
   65    HB2  TYR  10           2HB      TYR  10  11.883  10.268   1.337
   66    HB3  TYR  10           3HB      TYR  10  12.188   9.031   2.551
   67    HD1  TYR  10           HD1      TYR  10  12.468  12.764   2.472
   68    HD2  TYR  10           HD2      TYR  10  10.903   9.328   4.435
   69    HE1  TYR  10           HE1      TYR  10  11.463  14.210   4.189
   70    HE2  TYR  10           HE2      TYR  10   9.892  10.765   6.157
   71    HH   TYR  10           HH       TYR  10  10.417  13.154   7.099
   72    H    ARG  11           H        ARG  11  15.536   8.416   2.611
   73    HA   ARG  11           HA       ARG  11  16.084   9.370   5.338
   74    HB2  ARG  11           2HB      ARG  11  14.514   7.259   5.013
   75    HB3  ARG  11           3HB      ARG  11  16.053   6.435   4.807
   76    HG2  ARG  11           2HG      ARG  11  16.336   6.360   6.997
   77    HG3  ARG  11           3HG      ARG  11  16.217   8.118   7.099
   78    HD2  ARG  11           2HD      ARG  11  13.815   6.310   6.958
   79    HD3  ARG  11           3HD      ARG  11  14.554   6.808   8.479
   80    HE   ARG  11           HE       ARG  11  12.881   8.389   6.774
   81   HH11  ARG  11          1HH1      ARG  11  15.436   8.497   9.136
   82   HH12  ARG  11          2HH1      ARG  11  15.070  10.111   9.650
   83   HH21  ARG  11          1HH2      ARG  11  12.390  10.515   7.441
   84   HH22  ARG  11          2HH2      ARG  11  13.337  11.257   8.685
   85    H    ASN  12           H        ASN  12  17.336   8.886   2.403
   86    HA   ASN  12           HA       ASN  12  19.996   8.242   3.487
   87    HB2  ASN  12           2HB      ASN  12  18.676   6.515   1.892
   88    HB3  ASN  12           3HB      ASN  12  19.457   7.507   0.665
   89   HD21  ASN  12          1HD2      ASN  12  20.852   5.940  -0.026
   90   HD22  ASN  12          2HD2      ASN  12  22.157   5.344   0.937
   91    H2   MK8  13           H        MK8  13  18.012  10.101   1.175
   92    HB   MK8  13           2HB      MK8  13  17.827  11.039  -0.959
   93    HBA  MK8  13           3HB      MK8  13  18.147  12.768  -0.947
   94    HD   MK8  13           2HD      MK8  13  21.318  10.323  -2.013
   95    HDA  MK8  13           3HD      MK8  13  19.808   9.540  -1.505
   96    HE   MK8  13           HE       MK8  13  19.670  10.465  -4.340
   97    HG   MK8  13           2HG      MK8  13  18.987  11.745  -3.072
   98    HGA  MK8  13           3HG      MK8  13  20.336  12.403  -2.148
   99    HB1  MK8  13           HBA      MK8  13  21.544  11.880   0.943
  100   HB1A  MK8  13          HGA       MK8  13  21.385  10.825  -0.111
  101   HB1B  MK8  13          HDA       MK8  13  21.304  12.276  -0.483
  102    H    TYR  14           H        TYR  14  17.335  11.802   1.699
  103    HA   TYR  14           HA       TYR  14  17.378  14.532   2.463
  104    HB2  TYR  14           2HB      TYR  14  15.453  12.602   2.368
  105    HB3  TYR  14           3HB      TYR  14  15.738  12.712   4.101
  106    HD1  TYR  14           HD2      TYR  14  15.235  14.990   1.177
  107    HD2  TYR  14           HD1      TYR  14  14.460  14.218   5.288
  108    HE1  TYR  14           HE2      TYR  14  13.809  16.991   1.278
  109    HE2  TYR  14           HE1      TYR  14  13.032  16.217   5.401
  110    HH   TYR  14           HH       TYR  14  11.654  17.592   3.690
  111    H    THR  15           H        THR  15  18.477  11.580   3.973
  112    HA   THR  15           HA       THR  15  18.862  12.744   6.570
  113    HB   THR  15           HB       THR  15  19.930  10.162   5.412
  114    HG1  THR  15           HG1      THR  15  17.566  10.905   6.722
  115   HG21  THR  15          1HG2      THR  15  20.306  11.497   8.016
  116   HG22  THR  15          2HG2      THR  15  21.314  10.305   7.196
  117   HG23  THR  15          3HG2      THR  15  19.884   9.787   8.088
  118    H    MET  16           H        MET  16  20.664  12.590   3.645
  119    HA   MET  16           HA       MET  16  23.219  13.095   4.918
  120    HB2  MET  16           2HB      MET  16  22.794  11.767   2.732
  121    HB3  MET  16           3HB      MET  16  22.685  13.350   1.973
  122    HG2  MET  16           2HG      MET  16  24.886  13.552   1.913
  123    HG3  MET  16           3HG      MET  16  25.026  13.186   3.631
  124    HE1  MET  16           3HE      MET  16  27.661  11.489   2.749
  125    HE2  MET  16           1HE      MET  16  27.365  11.170   1.040
  126    HE3  MET  16           2HE      MET  16  27.065  12.777   1.702
  127    H    VAL  17           H        VAL  17  20.611  14.889   3.526
  128    HA   VAL  17           HA       VAL  17  22.109  17.301   3.080
  129    HB   VAL  17           HB       VAL  17  19.121  16.875   3.225
  130   HG11  VAL  17          1HG1      VAL  17  19.192  19.129   3.451
  131   HG12  VAL  17          2HG1      VAL  17  20.806  19.260   2.749
  132   HG13  VAL  17          3HG1      VAL  17  19.402  19.054   1.702
  133   HG21  VAL  17          3HG2      VAL  17  20.971  16.041   1.292
  134   HG22  VAL  17          1HG2      VAL  17  19.213  16.074   1.154
  135   HG23  VAL  17          2HG2      VAL  17  20.167  17.455   0.612
  136    H    LEU  18           H        LEU  18  19.979  16.053   5.603
  137    HA   LEU  18           HA       LEU  18  19.974  18.472   7.127
  138    HB2  LEU  18           2HB      LEU  18  18.648  17.355   8.651
  139    HB3  LEU  18           3HB      LEU  18  18.267  16.542   7.135
  140    HG   LEU  18           HG       LEU  18  20.182  14.901   8.001
  141   HD11  LEU  18          1HD1      LEU  18  20.746  15.126  10.131
  142   HD12  LEU  18          2HD1      LEU  18  19.054  15.035  10.619
  143   HD13  LEU  18          3HD1      LEU  18  19.773  16.595  10.217
  144   HD21  LEU  18          3HD2      LEU  18  18.442  13.434   8.764
  145   HD22  LEU  18          1HD2      LEU  18  17.835  14.360   7.392
  146   HD23  LEU  18          2HD2      LEU  18  17.351  14.794   9.032
  147    H    HIS  19           H        HIS  19  21.961  15.609   7.003
  148    HA   HIS  19           HA       HIS  19  23.270  16.012   9.504
  149    HB2  HIS  19           2HB      HIS  19  23.355  13.808   8.679
  150    HB3  HIS  19           3HB      HIS  19  23.871  14.333   7.080
  151    HD1  HIS  19           HD1      HIS  19  26.395  15.112   6.868
  152    HD2  HIS  19           HD2      HIS  19  25.385  13.283  10.459
  153    HE1  HIS  19           HE1      HIS  19  28.581  14.498   7.948
  154    H    LYS  20           H        LYS  20  24.316  16.536   6.136
  155    HA   LYS  20           HA       LYS  20  26.722  17.862   6.868
  156    HB2  LYS  20           2HB      LYS  20  26.639  16.816   4.728
  157    HB3  LYS  20           3HB      LYS  20  25.181  17.693   4.281
  158    HG2  LYS  20           2HG      LYS  20  27.322  19.511   4.933
  159    HG3  LYS  20           3HG      LYS  20  27.808  18.372   3.675
  160    HD2  LYS  20           2HD      LYS  20  26.821  19.899   2.326
  161    HD3  LYS  20           3HD      LYS  20  25.360  19.018   2.778
  162    HE2  LYS  20           2HE      LYS  20  24.548  20.745   3.956
  163    HE3  LYS  20           3HE      LYS  20  26.115  21.112   4.674
  164    HZ1  LYS  20           3HZ      LYS  20  26.543  21.918   2.191
  165    HZ2  LYS  20           1HZ      LYS  20  25.911  22.934   3.386
  166    HZ3  LYS  20           2HZ      LYS  20  24.876  22.191   2.273
  Start of MODEL    4
    1    H1   ASN   1           H        ASN   1   3.864  -0.355   0.867
    2    HA   ASN   1           HA       ASN   1   1.821  -0.259  -1.134
    3    HB2  ASN   1           2HB      ASN   1   1.651   0.483   1.322
    4    HB3  ASN   1           3HB      ASN   1   2.457   1.960   0.802
    5   HD21  ASN   1          1HD2      ASN   1   1.390   3.366  -0.604
    6   HD22  ASN   1          2HD2      ASN   1  -0.323   3.302  -0.826
    7    H    SER   2           H        SER   2   4.729   1.623  -0.424
    8    HA   SER   2           HA       SER   2   4.294   3.221  -2.840
    9    HB2  SER   2           2HB      SER   2   5.555   3.703  -0.279
   10    HB3  SER   2           3HB      SER   2   6.660   4.075  -1.602
   11    HG   SER   2           HG       SER   2   3.999   4.990  -1.664
   12    H    GLY   3           H        GLY   3   7.095   1.655  -1.269
   13    HA2  GLY   3           2HA      GLY   3   7.825  -0.032  -3.330
   14    HA3  GLY   3           3HA      GLY   3   8.576   1.514  -3.701
   15    H    LEU   4           H        LEU   4  10.503   1.932  -2.832
   16    HA   LEU   4           HA       LEU   4  11.331   1.225  -0.253
   17    HB2  LEU   4           2HB      LEU   4  11.521  -0.886  -2.171
   18    HB3  LEU   4           3HB      LEU   4  13.144  -0.385  -1.701
   19    HG   LEU   4           HG       LEU   4  11.177  -0.903   0.466
   20   HD11  LEU   4          1HD1      LEU   4  10.789  -3.021  -0.048
   21   HD12  LEU   4          2HD1      LEU   4  12.523  -3.335  -0.120
   22   HD13  LEU   4          3HD1      LEU   4  11.661  -2.814  -1.567
   23   HD21  LEU   4          3HD2      LEU   4  13.095  -1.537   1.682
   24   HD22  LEU   4          1HD2      LEU   4  13.568  -0.111   0.758
   25   HD23  LEU   4          2HD2      LEU   4  14.062  -1.715   0.217
   26    H    SER   5           H        SER   5  12.571   1.512  -3.576
   27    HA   SER   5           HA       SER   5  15.058   2.596  -2.997
   28    HB2  SER   5           2HB      SER   5  13.600   2.062  -5.304
   29    HB3  SER   5           3HB      SER   5  13.865   3.804  -5.365
   30    HG   SER   5           HG       SER   5  15.838   3.391  -5.912
   31    H    PHE   6           H        PHE   6  11.910   4.134  -3.147
   32    HA   PHE   6           HA       PHE   6  12.893   6.811  -3.034
   33    HB2  PHE   6           2HB      PHE   6  10.322   5.495  -3.187
   34    HB3  PHE   6           3HB      PHE   6  10.284   6.797  -2.002
   35    HD1  PHE   6           HD1      PHE   6  10.679   9.107  -2.679
   36    HD2  PHE   6           HD2      PHE   6  10.578   5.944  -5.525
   37    HE1  PHE   6           HE1      PHE   6  10.431  10.751  -4.492
   38    HE2  PHE   6           HE2      PHE   6  10.331   7.583  -7.343
   39    HZ   PHE   6           HZ       PHE   6  10.258   9.990  -6.828
   40    H    GLU   7           H        GLU   7  12.212   4.351  -0.694
   41    HA   GLU   7           HA       GLU   7  12.135   6.180   1.545
   42    HB2  GLU   7           2HB      GLU   7  11.925   3.217   1.207
   43    HB3  GLU   7           3HB      GLU   7  12.323   3.866   2.792
   44    HG2  GLU   7           2HG      GLU   7  10.130   5.344   1.782
   45    HG3  GLU   7           3HG      GLU   7   9.784   3.631   1.549
   46    H    GLU   8           H        GLU   8  14.484   4.293  -0.157
   47    HA   GLU   8           HA       GLU   8  16.449   4.339   1.946
   48    HB2  GLU   8           2HB      GLU   8  16.102   2.871  -0.382
   49    HB3  GLU   8           3HB      GLU   8  17.485   3.895  -0.742
   50    HG2  GLU   8           2HG      GLU   8  18.047   2.972   1.781
   51    HG3  GLU   8           3HG      GLU   8  17.272   1.588   1.013
   52    H2   MK8   9           H        MK8   9  15.651   6.324  -0.924
   53    HB   MK8   9           2HB      MK8   9  15.575   8.094  -2.376
   54    HBA  MK8   9           3HB      MK8   9  16.501   9.575  -2.173
   55    HD   MK8   9           2HD      MK8   9  18.536   9.413  -4.693
   56    HDA  MK8   9           3HD      MK8   9  18.611   9.881  -2.982
   57    HE   MK8   9           HE       MK8   9  20.422   7.931  -2.567
   58    HG   MK8   9           2HG      MK8   9  17.998   7.064  -3.122
   59    HGA  MK8   9           3HG      MK8   9  16.914   7.859  -4.260
   60    HB1  MK8   9           HBA      MK8   9  19.168   8.652  -1.143
   61   HB1A  MK8   9          HGA       MK8   9  19.116   7.773   0.071
   62   HB1B  MK8   9          HDA       MK8   9  19.086   7.162  -1.298
   63    H    TYR  10           H        TYR  10  14.991   7.825   0.405
   64    HA   TYR  10           HA       TYR  10  14.834  10.392   1.585
   65    HB2  TYR  10           2HB      TYR  10  12.842   9.040   1.126
   66    HB3  TYR  10           3HB      TYR  10  13.369   7.844   2.305
   67    HD1  TYR  10           HD1      TYR  10  12.481  11.455   2.020
   68    HD2  TYR  10           HD2      TYR  10  12.640   8.006   4.506
   69    HE1  TYR  10           HE1      TYR  10  11.284  12.680   3.786
   70    HE2  TYR  10           HE2      TYR  10  11.443   9.220   6.278
   71    HH   TYR  10           HH       TYR  10  10.822  11.311   6.981
   72    H    ARG  11           H        ARG  11  16.671   7.693   2.387
   73    HA   ARG  11           HA       ARG  11  17.073   8.715   5.121
   74    HB2  ARG  11           2HB      ARG  11  16.125   6.207   4.458
   75    HB3  ARG  11           3HB      ARG  11  17.842   5.925   4.712
   76    HG2  ARG  11           2HG      ARG  11  17.687   6.916   6.934
   77    HG3  ARG  11           3HG      ARG  11  15.968   7.225   6.679
   78    HD2  ARG  11           2HD      ARG  11  15.403   5.096   7.105
   79    HD3  ARG  11           3HD      ARG  11  16.764   4.454   6.187
   80    HE   ARG  11           HE       ARG  11  17.870   4.183   8.158
   81   HH11  ARG  11          1HH1      ARG  11  15.417   6.613   8.600
   82   HH12  ARG  11          2HH1      ARG  11  15.719   6.796  10.296
   83   HH21  ARG  11          1HH2      ARG  11  18.278   4.415  10.390
   84   HH22  ARG  11          2HH2      ARG  11  17.347   5.546  11.313
   85    H    ASN  12           H        ASN  12  18.410   8.518   2.154
   86    HA   ASN  12           HA       ASN  12  21.116   8.721   3.249
   87    HB2  ASN  12           2HB      ASN  12  20.342   6.412   2.023
   88    HB3  ASN  12           3HB      ASN  12  20.972   7.325   0.655
   89   HD21  ASN  12          1HD2      ASN  12  21.807   5.058   2.733
   90   HD22  ASN  12          2HD2      ASN  12  23.492   5.386   2.929
   91    H2   MK8  13           H        MK8  13  19.042  10.667   2.170
   92    HB   MK8  13           2HB      MK8  13  18.750  10.582  -0.834
   93    HBA  MK8  13           3HB      MK8  13  18.332  12.283  -0.980
   94    HD   MK8  13           2HD      MK8  13  22.142  10.816  -1.911
   95    HDA  MK8  13           3HD      MK8  13  20.810   9.700  -1.546
   96    HE   MK8  13           HE       MK8  13  20.552  10.795  -4.310
   97    HG   MK8  13           2HG      MK8  13  19.606  11.821  -2.978
   98    HGA  MK8  13           3HG      MK8  13  20.755  12.656  -1.936
   99    HB1  MK8  13           HBA      MK8  13  21.905  12.510   1.108
  100   HB1A  MK8  13          HGA       MK8  13  21.954  11.715  -0.163
  101   HB1B  MK8  13          HDA       MK8  13  21.520  13.151  -0.192
  102    H    TYR  14           H        TYR  14  17.638  11.684   1.480
  103    HA   TYR  14           HA       TYR  14  17.077  14.449   1.971
  104    HB2  TYR  14           2HB      TYR  14  15.530  12.219   1.592
  105    HB3  TYR  14           3HB      TYR  14  15.370  12.478   3.326
  106    HD1  TYR  14           HD1      TYR  14  15.328  14.527   0.193
  107    HD2  TYR  14           HD2      TYR  14  13.592  13.772   4.003
  108    HE1  TYR  14           HE1      TYR  14  13.654  16.278  -0.229
  109    HE2  TYR  14           HE2      TYR  14  11.913  15.520   3.591
  110    HH   TYR  14           HH       TYR  14  12.104  17.634   0.814
  111    H    THR  15           H        THR  15  18.564  11.925   3.737
  112    HA   THR  15           HA       THR  15  18.090  13.186   6.323
  113    HB   THR  15           HB       THR  15  19.618  10.677   5.605
  114    HG1  THR  15           HG1      THR  15  17.005  11.215   6.530
  115   HG21  THR  15          1HG2      THR  15  20.622  11.432   7.587
  116   HG22  THR  15          2HG2      THR  15  19.389  10.296   8.134
  117   HG23  THR  15          3HG2      THR  15  19.097  12.032   8.235
  118    H    MET  16           H        MET  16  20.482  13.052   3.849
  119    HA   MET  16           HA       MET  16  22.639  13.944   5.566
  120    HB2  MET  16           2HB      MET  16  22.843  12.429   3.482
  121    HB3  MET  16           3HB      MET  16  22.710  13.921   2.561
  122    HG2  MET  16           2HG      MET  16  24.637  14.700   4.165
  123    HG3  MET  16           3HG      MET  16  24.903  12.965   4.322
  124    HE1  MET  16           3HE      MET  16  27.422  13.048   3.171
  125    HE2  MET  16           1HE      MET  16  27.720  14.196   1.865
  126    HE3  MET  16           2HE      MET  16  27.111  14.767   3.419
  127    H    VAL  17           H        VAL  17  20.221  15.317   3.509
  128    HA   VAL  17           HA       VAL  17  21.527  17.857   3.174
  129    HB   VAL  17           HB       VAL  17  18.658  17.043   2.690
  130   HG11  VAL  17          1HG1      VAL  17  18.648  19.141   1.272
  131   HG12  VAL  17          2HG1      VAL  17  18.633  19.382   3.020
  132   HG13  VAL  17          3HG1      VAL  17  20.129  19.602   2.112
  133   HG21  VAL  17          3HG2      VAL  17  19.221  16.525   0.547
  134   HG22  VAL  17          1HG2      VAL  17  20.546  17.688   0.496
  135   HG23  VAL  17          2HG2      VAL  17  20.759  16.145   1.323
  136    H    LEU  18           H        LEU  18  19.028  16.526   5.282
  137    HA   LEU  18           HA       LEU  18  18.427  19.020   6.545
  138    HB2  LEU  18           2HB      LEU  18  16.913  17.854   7.833
  139    HB3  LEU  18           3HB      LEU  18  16.986  16.884   6.363
  140    HG   LEU  18           HG       LEU  18  18.816  15.577   7.791
  141   HD11  LEU  18          1HD1      LEU  18  17.545  17.323   9.695
  142   HD12  LEU  18          2HD1      LEU  18  18.909  16.226   9.910
  143   HD13  LEU  18          3HD1      LEU  18  17.260  15.631  10.105
  144   HD21  LEU  18          3HD2      LEU  18  15.965  15.018   8.466
  145   HD22  LEU  18          1HD2      LEU  18  17.256  13.905   8.010
  146   HD23  LEU  18          2HD2      LEU  18  16.492  14.918   6.785
  147    H    HIS  19           H        HIS  19  20.691  16.430   7.104
  148    HA   HIS  19           HA       HIS  19  21.358  17.149   9.781
  149    HB2  HIS  19           2HB      HIS  19  21.868  14.927   9.189
  150    HB3  HIS  19           3HB      HIS  19  22.666  15.415   7.698
  151    HD1  HIS  19           HD1      HIS  19  25.071  16.496   7.965
  152    HD2  HIS  19           HD2      HIS  19  23.495  14.773  11.401
  153    HE1  HIS  19           HE1      HIS  19  27.016  16.232   9.537
  154    H    LYS  20           H        LYS  20  23.064  17.595   6.683
  155    HA   LYS  20           HA       LYS  20  25.083  19.258   7.794
  156    HB2  LYS  20           2HB      LYS  20  25.597  18.083   5.785
  157    HB3  LYS  20           3HB      LYS  20  24.187  18.737   4.962
  158    HG2  LYS  20           2HG      LYS  20  25.909  20.852   5.894
  159    HG3  LYS  20           3HG      LYS  20  26.789  19.710   4.876
  160    HD2  LYS  20           2HD      LYS  20  25.964  20.986   3.205
  161    HD3  LYS  20           3HD      LYS  20  24.527  19.986   3.435
  162    HE2  LYS  20           2HE      LYS  20  23.355  21.663   4.438
  163    HE3  LYS  20           3HE      LYS  20  24.797  22.402   5.134
  164    HZ1  LYS  20           3HZ      LYS  20  23.447  23.050   2.730
  165    HZ2  LYS  20           1HZ      LYS  20  25.058  22.654   2.400
  166    HZ3  LYS  20           2HZ      LYS  20  24.699  23.881   3.507
  Start of MODEL    5
    1    H1   ASN   1           H        ASN   1   2.812  -2.192  -2.468
    2    HA   ASN   1           HA       ASN   1   5.641  -1.797  -1.801
    3    HB2  ASN   1           2HB      ASN   1   4.546  -2.785  -4.337
    4    HB3  ASN   1           3HB      ASN   1   5.620  -1.401  -4.523
    5   HD21  ASN   1          1HD2      ASN   1   7.660  -1.610  -3.102
    6   HD22  ASN   1          2HD2      ASN   1   8.461  -3.139  -3.188
    7    H    SER   2           H        SER   2   5.092   0.133  -0.770
    8    HA   SER   2           HA       SER   2   3.582   2.171  -2.117
    9    HB2  SER   2           2HB      SER   2   4.252   1.663   0.521
   10    HB3  SER   2           3HB      SER   2   5.224   3.080   0.124
   11    HG   SER   2           HG       SER   2   3.268   4.066  -0.627
   12    H    GLY   3           H        GLY   3   7.004   1.709  -1.270
   13    HA2  GLY   3           2HA      GLY   3   8.214   2.606  -3.499
   14    HA3  GLY   3           3HA      GLY   3   7.775   4.109  -2.702
   15    H    LEU   4           H        LEU   4   9.402   1.013  -2.038
   16    HA   LEU   4           HA       LEU   4  10.762   1.775   0.261
   17    HB2  LEU   4           2HB      LEU   4  10.982  -0.337  -1.741
   18    HB3  LEU   4           3HB      LEU   4  12.524   0.081  -0.996
   19    HG   LEU   4           HG       LEU   4  10.658  -0.192   1.102
   20   HD11  LEU   4          1HD1      LEU   4   9.920  -2.516   0.774
   21   HD12  LEU   4          2HD1      LEU   4  10.518  -2.457  -0.883
   22   HD13  LEU   4          3HD1      LEU   4   9.191  -1.407  -0.387
   23   HD21  LEU   4          3HD2      LEU   4  12.992  -0.657   1.339
   24   HD22  LEU   4          1HD2      LEU   4  12.919  -1.920   0.110
   25   HD23  LEU   4          2HD2      LEU   4  12.105  -2.148   1.658
   26    H    SER   5           H        SER   5  11.750   2.065  -3.133
   27    HA   SER   5           HA       SER   5  14.328   3.033  -2.745
   28    HB2  SER   5           2HB      SER   5  12.401   2.948  -4.933
   29    HB3  SER   5           3HB      SER   5  13.427   4.381  -4.999
   30    HG   SER   5           HG       SER   5  14.040   1.845  -5.611
   31    H    PHE   6           H        PHE   6  11.238   4.687  -2.610
   32    HA   PHE   6           HA       PHE   6  12.328   7.324  -2.535
   33    HB2  PHE   6           2HB      PHE   6   9.711   6.111  -2.524
   34    HB3  PHE   6           3HB      PHE   6   9.806   7.359  -1.286
   35    HD1  PHE   6           HD1      PHE   6  11.067   6.968  -4.780
   36    HD2  PHE   6           HD2      PHE   6   8.965   9.372  -1.966
   37    HE1  PHE   6           HE1      PHE   6  10.741   8.694  -6.503
   38    HE2  PHE   6           HE2      PHE   6   8.634  11.101  -3.685
   39    HZ   PHE   6           HZ       PHE   6   9.522  10.763  -5.957
   40    H    GLU   7           H        GLU   7  11.747   4.847  -0.186
   41    HA   GLU   7           HA       GLU   7  11.924   6.635   2.079
   42    HB2  GLU   7           2HB      GLU   7  11.874   3.618   1.902
   43    HB3  GLU   7           3HB      GLU   7  11.884   4.523   3.409
   44    HG2  GLU   7           2HG      GLU   7   9.786   5.660   2.101
   45    HG3  GLU   7           3HG      GLU   7   9.697   3.989   1.545
   46    H    GLU   8           H        GLU   8  14.052   4.695   0.160
   47    HA   GLU   8           HA       GLU   8  16.183   4.629   2.094
   48    HB2  GLU   8           2HB      GLU   8  16.122   3.968  -0.854
   49    HB3  GLU   8           3HB      GLU   8  17.525   3.740   0.181
   50    HG2  GLU   8           2HG      GLU   8  15.060   2.507   1.174
   51    HG3  GLU   8           3HG      GLU   8  15.661   1.847  -0.345
   52    H2   MK8   9           H        MK8   9  15.230   6.696  -0.668
   53    HB   MK8   9           2HB      MK8   9  15.102   8.495  -2.081
   54    HBA  MK8   9           3HB      MK8   9  16.098   9.936  -1.931
   55    HD   MK8   9           2HD      MK8   9  17.912   9.748  -4.612
   56    HDA  MK8   9           3HD      MK8   9  18.145  10.180  -2.907
   57    HE   MK8   9           HE       MK8   9  19.908   8.158  -2.673
   58    HG   MK8   9           2HG      MK8   9  17.415   7.391  -3.041
   59    HGA  MK8   9           3HG      MK8   9  16.272   8.247  -4.072
   60    HB1  MK8   9           HBA      MK8   9  18.803   8.896  -1.139
   61   HB1A  MK8   9          HGA       MK8   9  18.817   7.997   0.061
   62   HB1B  MK8   9          HDA       MK8   9  18.652   7.414  -1.311
   63    H    TYR  10           H        TYR  10  14.738   8.195   0.734
   64    HA   TYR  10           HA       TYR  10  14.777  10.743   1.964
   65    HB2  TYR  10           2HB      TYR  10  12.704   9.475   1.650
   66    HB3  TYR  10           3HB      TYR  10  13.279   8.237   2.762
   67    HD1  TYR  10           HD1      TYR  10  12.406  11.850   2.577
   68    HD2  TYR  10           HD2      TYR  10  12.842   8.416   5.051
   69    HE1  TYR  10           HE1      TYR  10  11.406  13.084   4.455
   70    HE2  TYR  10           HE2      TYR  10  11.842   9.640   6.936
   71    HH   TYR  10           HH       TYR  10  10.105  11.820   7.000
   72    H    ARG  11           H        ARG  11  16.568   7.963   2.569
   73    HA   ARG  11           HA       ARG  11  17.232   8.917   5.277
   74    HB2  ARG  11           2HB      ARG  11  16.192   6.415   4.576
   75    HB3  ARG  11           3HB      ARG  11  17.907   6.134   4.851
   76    HG2  ARG  11           2HG      ARG  11  17.170   5.838   6.968
   77    HG3  ARG  11           3HG      ARG  11  17.398   7.587   7.016
   78    HD2  ARG  11           2HD      ARG  11  15.225   7.932   7.351
   79    HD3  ARG  11           3HD      ARG  11  14.795   6.917   5.975
   80    HE   ARG  11           HE       ARG  11  14.303   5.231   7.433
   81   HH11  ARG  11          1HH1      ARG  11  16.299   7.574   9.059
   82   HH12  ARG  11          2HH1      ARG  11  16.151   6.816  10.610
   83   HH21  ARG  11          1HH2      ARG  11  14.100   4.224   9.470
   84   HH22  ARG  11          2HH2      ARG  11  14.901   4.911  10.843
   85    H    ASN  12           H        ASN  12  18.313   8.728   2.207
   86    HA   ASN  12           HA       ASN  12  21.105   8.810   3.077
   87    HB2  ASN  12           2HB      ASN  12  20.145   6.555   1.883
   88    HB3  ASN  12           3HB      ASN  12  20.696   7.470   0.482
   89   HD21  ASN  12          1HD2      ASN  12  21.821   5.054   1.295
   90   HD22  ASN  12          2HD2      ASN  12  23.446   5.347   1.803
   91    H2   MK8  13           H        MK8  13  19.026  10.852   2.204
   92    HB   MK8  13           2HB      MK8  13  18.485  10.834  -0.766
   93    HBA  MK8  13           3HB      MK8  13  18.123  12.552  -0.850
   94    HD   MK8  13           2HD      MK8  13  21.784  10.963  -2.115
   95    HDA  MK8  13           3HD      MK8  13  20.445   9.891  -1.660
   96    HE   MK8  13           HE       MK8  13  20.004  11.046  -4.375
   97    HG   MK8  13           2HG      MK8  13  19.210  12.081  -2.953
   98    HGA  MK8  13           3HG      MK8  13  20.472  12.854  -1.996
   99    HB1  MK8  13           HBA      MK8  13  21.861  12.607   0.940
  100   HB1A  MK8  13          HGA       MK8  13  21.775  11.836  -0.344
  101   HB1B  MK8  13          HDA       MK8  13  21.395  13.287  -0.314
  102    H    TYR  14           H        TYR  14  17.610  11.932   1.649
  103    HA   TYR  14           HA       TYR  14  17.198  14.707   2.229
  104    HB2  TYR  14           2HB      TYR  14  15.540  12.543   1.944
  105    HB3  TYR  14           3HB      TYR  14  15.533  12.774   3.688
  106    HD1  TYR  14           HD1      TYR  14  15.314  14.882   0.602
  107    HD2  TYR  14           HD2      TYR  14  13.867  14.119   4.530
  108    HE1  TYR  14           HE1      TYR  14  13.679  16.702   0.347
  109    HE2  TYR  14           HE2      TYR  14  12.228  15.936   4.286
  110    HH   TYR  14           HH       TYR  14  11.052  17.096   2.269
  111    H    THR  15           H        THR  15  18.726  12.096   3.826
  112    HA   THR  15           HA       THR  15  18.514  13.324   6.462
  113    HB   THR  15           HB       THR  15  19.881  10.774   5.580
  114    HG1  THR  15           HG1      THR  15  17.600  11.018   7.246
  115   HG21  THR  15          1HG2      THR  15  19.699  10.436   8.192
  116   HG22  THR  15          2HG2      THR  15  19.765  12.199   8.196
  117   HG23  THR  15          3HG2      THR  15  21.079  11.269   7.476
  118    H    MET  16           H        MET  16  20.688  13.149   3.796
  119    HA   MET  16           HA       MET  16  23.011  13.927   5.344
  120    HB2  MET  16           2HB      MET  16  22.986  12.445   3.226
  121    HB3  MET  16           3HB      MET  16  22.836  13.959   2.343
  122    HG2  MET  16           2HG      MET  16  24.923  14.747   3.291
  123    HG3  MET  16           3HG      MET  16  25.065  13.271   4.243
  124    HE1  MET  16           3HE      MET  16  26.230  11.397   3.673
  125    HE2  MET  16           1HE      MET  16  24.998  10.681   2.633
  126    HE3  MET  16           2HE      MET  16  26.668  10.789   2.076
  127    H    VAL  17           H        VAL  17  20.489  15.428   3.516
  128    HA   VAL  17           HA       VAL  17  21.860  17.924   3.115
  129    HB   VAL  17           HB       VAL  17  18.932  17.226   2.854
  130   HG11  VAL  17          1HG1      VAL  17  20.416  19.769   2.551
  131   HG12  VAL  17          2HG1      VAL  17  19.202  19.398   1.324
  132   HG13  VAL  17          3HG1      VAL  17  18.742  19.480   3.026
  133   HG21  VAL  17          3HG2      VAL  17  21.028  16.426   1.278
  134   HG22  VAL  17          1HG2      VAL  17  19.346  16.545   0.763
  135   HG23  VAL  17          2HG2      VAL  17  20.459  17.877   0.452
  136    H    LEU  18           H        LEU  18  19.492  16.647   5.399
  137    HA   LEU  18           HA       LEU  18  19.092  19.137   6.746
  138    HB2  LEU  18           2HB      LEU  18  17.645  18.003   8.136
  139    HB3  LEU  18           3HB      LEU  18  17.560  17.059   6.650
  140    HG   LEU  18           HG       LEU  18  19.450  15.658   7.902
  141   HD11  LEU  18          1HD1      LEU  18  18.443  15.528  10.337
  142   HD12  LEU  18          2HD1      LEU  18  18.063  17.220  10.016
  143   HD13  LEU  18          3HD1      LEU  18  19.733  16.661   9.931
  144   HD21  LEU  18          3HD2      LEU  18  16.649  15.186   8.808
  145   HD22  LEU  18          1HD2      LEU  18  17.852  14.041   8.214
  146   HD23  LEU  18          2HD2      LEU  18  17.021  15.112   7.085
  147    H    HIS  19           H        HIS  19  21.293  16.453   7.077
  148    HA   HIS  19           HA       HIS  19  22.203  17.095   9.702
  149    HB2  HIS  19           2HB      HIS  19  22.582  14.869   9.032
  150    HB3  HIS  19           3HB      HIS  19  23.272  15.359   7.488
  151    HD1  HIS  19           HD1      HIS  19  25.728  16.349   7.571
  152    HD2  HIS  19           HD2      HIS  19  24.380  14.615  11.098
  153    HE1  HIS  19           HE1      HIS  19  27.785  15.985   8.971
  154    H    LYS  20           H        LYS  20  23.675  17.537   6.484
  155    HA   LYS  20           HA       LYS  20  25.839  19.101   7.450
  156    HB2  LYS  20           2HB      LYS  20  26.138  17.967   5.379
  157    HB3  LYS  20           3HB      LYS  20  24.681  18.677   4.698
  158    HG2  LYS  20           2HG      LYS  20  26.767  20.577   5.550
  159    HG3  LYS  20           3HG      LYS  20  27.156  19.556   4.164
  160    HD2  LYS  20           2HD      LYS  20  24.637  21.196   4.401
  161    HD3  LYS  20           3HD      LYS  20  26.098  21.742   3.574
  162    HE2  LYS  20           2HE      LYS  20  25.551  19.185   2.565
  163    HE3  LYS  20           3HE      LYS  20  23.998  20.017   2.631
  164    HZ1  LYS  20           3HZ      LYS  20  25.563  20.252   0.568
  165    HZ2  LYS  20           1HZ      LYS  20  26.302  21.444   1.514
  166    HZ3  LYS  20           2HZ      LYS  20  24.662  21.573   1.122
  Start of MODEL    6
    1    H1   ASN   1           H        ASN   1   6.261   1.749   1.560
    2    HA   ASN   1           HA       ASN   1   4.323   3.309   2.163
    3    HB2  ASN   1           2HB      ASN   1   6.602   5.092   1.802
    4    HB3  ASN   1           3HB      ASN   1   5.212   5.582   0.837
    5   HD21  ASN   1          1HD2      ASN   1   3.711   6.753   1.798
    6   HD22  ASN   1          2HD2      ASN   1   3.511   6.937   3.504
    7    H    SER   2           H        SER   2   6.610   3.373  -0.552
    8    HA   SER   2           HA       SER   2   4.496   2.449  -2.325
    9    HB2  SER   2           2HB      SER   2   5.025   5.153  -2.226
   10    HB3  SER   2           3HB      SER   2   6.033   4.613  -3.569
   11    HG   SER   2           HG       SER   2   4.235   4.715  -4.652
   12    H    GLY   3           H        GLY   3   7.886   3.486  -2.066
   13    HA2  GLY   3           2HA      GLY   3   8.661   1.060  -3.519
   14    HA3  GLY   3           3HA      GLY   3   9.207   2.608  -4.146
   15    H    LEU   4           H        LEU   4  10.453   0.119  -2.748
   16    HA   LEU   4           HA       LEU   4  11.591   0.905  -0.327
   17    HB2  LEU   4           2HB      LEU   4  12.622  -0.926  -2.482
   18    HB3  LEU   4           3HB      LEU   4  13.400  -0.737  -0.912
   19    HG   LEU   4           HG       LEU   4  10.527  -1.541  -1.028
   20   HD11  LEU   4          1HD1      LEU   4  12.834  -3.139  -1.949
   21   HD12  LEU   4          2HD1      LEU   4  11.129  -3.247  -2.383
   22   HD13  LEU   4          3HD1      LEU   4  11.697  -3.940  -0.864
   23   HD21  LEU   4          3HD2      LEU   4  12.237  -2.899   0.847
   24   HD22  LEU   4          1HD2      LEU   4  10.833  -1.874   1.146
   25   HD23  LEU   4          2HD2      LEU   4  12.433  -1.150   0.978
   26    H    SER   5           H        SER   5  12.867   1.233  -3.631
   27    HA   SER   5           HA       SER   5  15.306   2.405  -3.025
   28    HB2  SER   5           2HB      SER   5  13.872   1.840  -5.348
   29    HB3  SER   5           3HB      SER   5  14.113   3.586  -5.399
   30    HG   SER   5           HG       SER   5  15.873   1.662  -5.920
   31    H    PHE   6           H        PHE   6  12.106   3.829  -3.200
   32    HA   PHE   6           HA       PHE   6  12.990   6.539  -3.069
   33    HB2  PHE   6           2HB      PHE   6  10.481   5.140  -3.285
   34    HB3  PHE   6           3HB      PHE   6  10.366   6.392  -2.053
   35    HD1  PHE   6           HD1      PHE   6  10.979   8.755  -2.675
   36    HD2  PHE   6           HD2      PHE   6  10.437   5.675  -5.561
   37    HE1  PHE   6           HE1      PHE   6  10.684  10.455  -4.429
   38    HE2  PHE   6           HE2      PHE   6  10.142   7.370  -7.320
   39    HZ   PHE   6           HZ       PHE   6  10.266   9.763  -6.755
   40    H    GLU   7           H        GLU   7  12.376   4.049  -0.743
   41    HA   GLU   7           HA       GLU   7  12.213   5.867   1.500
   42    HB2  GLU   7           2HB      GLU   7  11.029   3.613   1.329
   43    HB3  GLU   7           3HB      GLU   7  12.599   2.880   1.628
   44    HG2  GLU   7           2HG      GLU   7  12.252   3.084   3.797
   45    HG3  GLU   7           3HG      GLU   7  12.244   4.837   3.613
   46    H    GLU   8           H        GLU   8  14.644   4.071  -0.186
   47    HA   GLU   8           HA       GLU   8  16.586   4.180   1.936
   48    HB2  GLU   8           2HB      GLU   8  16.422   3.058  -0.766
   49    HB3  GLU   8           3HB      GLU   8  18.010   3.700  -0.369
   50    HG2  GLU   8           2HG      GLU   8  18.303   1.607   0.413
   51    HG3  GLU   8           3HG      GLU   8  17.577   2.312   1.857
   52    H2   MK8   9           H        MK8   9  15.745   6.145  -0.934
   53    HB   MK8   9           2HB      MK8   9  15.618   7.917  -2.382
   54    HBA  MK8   9           3HB      MK8   9  16.490   9.428  -2.166
   55    HD   MK8   9           2HD      MK8   9  18.552   9.348  -4.667
   56    HDA  MK8   9           3HD      MK8   9  18.594   9.813  -2.955
   57    HE   MK8   9           HE       MK8   9  20.469   7.927  -2.528
   58    HG   MK8   9           2HG      MK8   9  18.085   6.976  -3.108
   59    HGA  MK8   9           3HG      MK8   9  16.983   7.735  -4.254
   60    HB1  MK8   9           HBA      MK8   9  19.177   8.598  -1.113
   61   HB1A  MK8   9          HGA       MK8   9  19.145   7.714   0.098
   62   HB1B  MK8   9          HDA       MK8   9  19.151   7.106  -1.273
   63    H    TYR  10           H        TYR  10  15.019   7.616   0.392
   64    HA   TYR  10           HA       TYR  10  14.758  10.172   1.579
   65    HB2  TYR  10           2HB      TYR  10  12.820   8.752   1.097
   66    HB3  TYR  10           3HB      TYR  10  13.378   7.571   2.276
   67    HD1  TYR  10           HD2      TYR  10  12.345  11.140   1.988
   68    HD2  TYR  10           HD1      TYR  10  12.640   7.703   4.478
   69    HE1  TYR  10           HE2      TYR  10  11.090  12.314   3.747
   70    HE2  TYR  10           HE1      TYR  10  11.384   8.867   6.244
   71    HH   TYR  10           HH       TYR  10  10.800  12.207   6.186
   72    H    ARG  11           H        ARG  11  16.683   7.538   2.390
   73    HA   ARG  11           HA       ARG  11  17.022   8.565   5.131
   74    HB2  ARG  11           2HB      ARG  11  16.041   6.137   4.671
   75    HB3  ARG  11           3HB      ARG  11  17.746   5.745   4.495
   76    HG2  ARG  11           2HG      ARG  11  17.761   5.463   6.698
   77    HG3  ARG  11           3HG      ARG  11  17.678   7.222   6.816
   78    HD2  ARG  11           2HD      ARG  11  15.277   7.146   6.970
   79    HD3  ARG  11           3HD      ARG  11  15.274   5.408   6.673
   80    HE   ARG  11           HE       ARG  11  15.749   6.728   9.164
   81   HH11  ARG  11          1HH1      ARG  11  16.475   3.883   7.294
   82   HH12  ARG  11          2HH1      ARG  11  16.799   2.895   8.680
   83   HH21  ARG  11          1HH2      ARG  11  16.172   5.438  10.997
   84   HH22  ARG  11          2HH2      ARG  11  16.625   3.780  10.786
   85    H    ASN  12           H        ASN  12  18.394   8.426   2.177
   86    HA   ASN  12           HA       ASN  12  21.080   8.722   3.298
   87    HB2  ASN  12           2HB      ASN  12  20.401   6.391   2.057
   88    HB3  ASN  12           3HB      ASN  12  21.011   7.330   0.698
   89   HD21  ASN  12          1HD2      ASN  12  23.098   8.593   1.357
   90   HD22  ASN  12          2HD2      ASN  12  24.307   7.622   2.119
   91    H2   MK8  13           H        MK8  13  18.948  10.596   2.205
   92    HB   MK8  13           2HB      MK8  13  18.687  10.510  -0.802
   93    HBA  MK8  13           3HB      MK8  13  18.210  12.196  -0.947
   94    HD   MK8  13           2HD      MK8  13  22.079  10.869  -1.845
   95    HDA  MK8  13           3HD      MK8  13  20.785   9.706  -1.497
   96    HE   MK8  13           HE       MK8  13  20.513  10.799  -4.260
   97    HG   MK8  13           2HG      MK8  13  19.519  11.786  -2.933
   98    HGA  MK8  13           3HG      MK8  13  20.628  12.659  -1.878
   99    HB1  MK8  13           HBA      MK8  13  21.753  12.544   1.176
  100   HB1A  MK8  13          HGA       MK8  13  21.842  11.756  -0.097
  101   HB1B  MK8  13          HDA       MK8  13  21.357  13.175  -0.126
  102    H    TYR  14           H        TYR  14  17.515  11.564   1.504
  103    HA   TYR  14           HA       TYR  14  16.851  14.306   1.999
  104    HB2  TYR  14           2HB      TYR  14  15.388  12.023   1.599
  105    HB3  TYR  14           3HB      TYR  14  15.203  12.270   3.331
  106    HD1  TYR  14           HD2      TYR  14  15.117  14.326   0.204
  107    HD2  TYR  14           HD1      TYR  14  13.371  13.495   3.994
  108    HE1  TYR  14           HE2      TYR  14  13.385  16.018  -0.229
  109    HE2  TYR  14           HE1      TYR  14  11.634  15.184   3.572
  110    HH   TYR  14           HH       TYR  14  11.258  17.138   2.213
  111    H    THR  15           H        THR  15  18.410  11.831   3.771
  112    HA   THR  15           HA       THR  15  17.867  13.065   6.357
  113    HB   THR  15           HB       THR  15  19.491  10.615   5.645
  114    HG1  THR  15           HG1      THR  15  17.661   9.605   6.767
  115   HG21  THR  15          1HG2      THR  15  20.470  11.146   7.636
  116   HG22  THR  15          2HG2      THR  15  19.039  10.324   8.257
  117   HG23  THR  15          3HG2      THR  15  19.086  12.085   8.192
  118    H    MET  16           H        MET  16  20.285  13.025   3.904
  119    HA   MET  16           HA       MET  16  22.393  13.988   5.645
  120    HB2  MET  16           2HB      MET  16  22.671  12.488   3.558
  121    HB3  MET  16           3HB      MET  16  22.494  13.977   2.641
  122    HG2  MET  16           2HG      MET  16  24.479  14.857   3.434
  123    HG3  MET  16           3HG      MET  16  24.505  13.794   4.839
  124    HE1  MET  16           3HE      MET  16  24.588  12.719   0.635
  125    HE2  MET  16           1HE      MET  16  24.807  14.354   1.260
  126    HE3  MET  16           2HE      MET  16  26.210  13.396   0.788
  127    H    VAL  17           H        VAL  17  19.947  15.280   3.570
  128    HA   VAL  17           HA       VAL  17  21.165  17.867   3.255
  129    HB   VAL  17           HB       VAL  17  18.332  16.952   2.740
  130   HG11  VAL  17          1HG1      VAL  17  19.717  19.560   2.158
  131   HG12  VAL  17          2HG1      VAL  17  18.237  19.050   1.343
  132   HG13  VAL  17          3HG1      VAL  17  18.243  19.295   3.090
  133   HG21  VAL  17          3HG2      VAL  17  20.192  17.675   0.553
  134   HG22  VAL  17          1HG2      VAL  17  20.495  16.154   1.391
  135   HG23  VAL  17          2HG2      VAL  17  18.938  16.437   0.613
  136    H    LEU  18           H        LEU  18  18.695  16.440   5.334
  137    HA   LEU  18           HA       LEU  18  17.992  18.906   6.598
  138    HB2  LEU  18           2HB      LEU  18  16.509  17.682   7.868
  139    HB3  LEU  18           3HB      LEU  18  16.631  16.720   6.396
  140    HG   LEU  18           HG       LEU  18  18.494  15.475   7.838
  141   HD11  LEU  18          1HD1      LEU  18  18.548  16.335   9.910
  142   HD12  LEU  18          2HD1      LEU  18  17.103  15.356  10.161
  143   HD13  LEU  18          3HD1      LEU  18  16.949  17.067   9.761
  144   HD21  LEU  18          3HD2      LEU  18  16.992  13.747   8.037
  145   HD22  LEU  18          1HD2      LEU  18  16.202  14.739   6.810
  146   HD23  LEU  18          2HD2      LEU  18  15.659  14.811   8.487
  147    H    HIS  19           H        HIS  19  20.342  16.396   7.173
  148    HA   HIS  19           HA       HIS  19  20.957  17.129   9.859
  149    HB2  HIS  19           2HB      HIS  19  21.557  14.931   9.263
  150    HB3  HIS  19           3HB      HIS  19  22.349  15.456   7.780
  151    HD1  HIS  19           HD1      HIS  19  24.709  16.625   8.072
  152    HD2  HIS  19           HD2      HIS  19  23.170  14.830  11.488
  153    HE1  HIS  19           HE1      HIS  19  26.649  16.428   9.660
  154    H    LYS  20           H        LYS  20  22.687  17.646   6.783
  155    HA   LYS  20           HA       LYS  20  24.632  19.375   7.916
  156    HB2  LYS  20           2HB      LYS  20  25.201  18.247   5.900
  157    HB3  LYS  20           3HB      LYS  20  23.765  18.842   5.078
  158    HG2  LYS  20           2HG      LYS  20  25.621  20.898   6.086
  159    HG3  LYS  20           3HG      LYS  20  26.208  19.895   4.757
  160    HD2  LYS  20           2HD      LYS  20  23.566  21.348   4.738
  161    HD3  LYS  20           3HD      LYS  20  25.053  21.993   4.040
  162    HE2  LYS  20           2HE      LYS  20  24.870  19.447   2.976
  163    HE3  LYS  20           3HE      LYS  20  23.201  20.016   2.988
  164    HZ1  LYS  20           3HZ      LYS  20  24.134  20.673   0.940
  165    HZ2  LYS  20           1HZ      LYS  20  25.535  21.280   1.670
  166    HZ3  LYS  20           2HZ      LYS  20  24.058  22.077   1.880
  Start of MODEL    7
    1    H1   ASN   1           H        ASN   1  12.489  -3.596  -6.368
    2    HA   ASN   1           HA       ASN   1  12.300  -1.546  -5.401
    3    HB2  ASN   1           2HB      ASN   1  13.419  -0.372  -7.941
    4    HB3  ASN   1           3HB      ASN   1  13.620   0.205  -6.288
    5   HD21  ASN   1          1HD2      ASN   1  15.370  -0.897  -8.624
    6   HD22  ASN   1          2HD2      ASN   1  16.486  -1.924  -7.796
    7    H    SER   2           H        SER   2  10.209  -1.032  -5.157
    8    HA   SER   2           HA       SER   2   8.976   0.651  -7.193
    9    HB2  SER   2           2HB      SER   2   8.329  -1.952  -7.283
   10    HB3  SER   2           3HB      SER   2   7.188  -1.429  -6.044
   11    HG   SER   2           HG       SER   2   6.708   0.325  -7.659
   12    H    GLY   3           H        GLY   3   8.163  -1.005  -4.132
   13    HA2  GLY   3           2HA      GLY   3   6.912   1.469  -3.185
   14    HA3  GLY   3           3HA      GLY   3   6.740  -0.121  -2.457
   15    H    LEU   4           H        LEU   4   7.292   2.203  -0.987
   16    HA   LEU   4           HA       LEU   4   8.636   2.934   0.694
   17    HB2  LEU   4           2HB      LEU   4   9.002   0.171   0.563
   18    HB3  LEU   4           3HB      LEU   4  10.628   0.845   0.665
   19    HG   LEU   4           HG       LEU   4   9.615   2.186   2.678
   20   HD11  LEU   4          1HD1      LEU   4   7.412   0.615   1.948
   21   HD12  LEU   4          2HD1      LEU   4   7.593   1.620   3.385
   22   HD13  LEU   4          3HD1      LEU   4   8.041  -0.085   3.440
   23   HD21  LEU   4          3HD2      LEU   4  11.410   0.382   2.636
   24   HD22  LEU   4          1HD2      LEU   4  10.126  -0.748   3.068
   25   HD23  LEU   4          2HD2      LEU   4  10.521   0.591   4.146
   26    H    SER   5           H        SER   5   9.270   3.444  -2.169
   27    HA   SER   5           HA       SER   5  12.163   3.663  -2.217
   28    HB2  SER   5           2HB      SER   5  10.189   3.431  -4.182
   29    HB3  SER   5           3HB      SER   5  10.797   5.078  -4.352
   30    HG   SER   5           HG       SER   5  12.956   3.868  -4.154
   31    H    PHE   6           H        PHE   6   9.347   5.744  -1.883
   32    HA   PHE   6           HA       PHE   6  10.803   8.196  -1.990
   33    HB2  PHE   6           2HB      PHE   6   8.685   9.174  -1.055
   34    HB3  PHE   6           3HB      PHE   6   8.467   8.243  -2.533
   35    HD1  PHE   6           HD2      PHE   6   8.060   8.160   1.135
   36    HD2  PHE   6           HD1      PHE   6   7.077   6.344  -2.587
   37    HE1  PHE   6           HE2      PHE   6   6.359   6.783   2.260
   38    HE2  PHE   6           HE1      PHE   6   5.373   4.965  -1.468
   39    HZ   PHE   6           HZ       PHE   6   5.013   5.183   0.959
   40    H    GLU   7           H        GLU   7   9.981   5.928   0.518
   41    HA   GLU   7           HA       GLU   7  10.643   7.725   2.676
   42    HB2  GLU   7           2HB      GLU   7   8.978   5.742   2.720
   43    HB3  GLU   7           3HB      GLU   7  10.407   4.741   2.935
   44    HG2  GLU   7           2HG      GLU   7  10.984   6.017   4.948
   45    HG3  GLU   7           3HG      GLU   7   9.523   6.981   4.740
   46    H    GLU   8           H        GLU   8  12.278   5.406   0.694
   47    HA   GLU   8           HA       GLU   8  14.514   5.046   2.466
   48    HB2  GLU   8           2HB      GLU   8  13.861   3.297   0.869
   49    HB3  GLU   8           3HB      GLU   8  14.216   4.382  -0.468
   50    HG2  GLU   8           2HG      GLU   8  16.496   4.240  -0.156
   51    HG3  GLU   8           3HG      GLU   8  16.339   3.735   1.525
   52    H2   MK8   9           H        MK8   9  13.694   7.190  -0.280
   53    HB   MK8   9           2HB      MK8   9  13.745   8.962  -1.731
   54    HBA  MK8   9           3HB      MK8   9  14.966  10.226  -1.698
   55    HD   MK8   9           2HD      MK8   9  16.514   9.703  -4.498
   56    HDA  MK8   9           3HD      MK8   9  16.943  10.121  -2.828
   57    HE   MK8   9           HE       MK8   9  18.375   7.846  -2.666
   58    HG   MK8   9           2HG      MK8   9  15.772   7.483  -2.826
   59    HGA  MK8   9           3HG      MK8   9  14.703   8.494  -3.795
   60    HB1  MK8   9           HBA      MK8   9  17.523   8.779  -1.076
   61   HB1A  MK8   9          HGA       MK8   9  17.487   7.909   0.145
   62   HB1B  MK8   9          HDA       MK8   9  17.126   7.337  -1.194
   63    H    TYR  10           H        TYR  10  13.557   8.771   1.111
   64    HA   TYR  10           HA       TYR  10  14.095  11.301   2.260
   65    HB2  TYR  10           2HB      TYR  10  11.828  10.376   2.136
   66    HB3  TYR  10           3HB      TYR  10  12.284   9.083   3.239
   67    HD1  TYR  10           HD1      TYR  10  11.953  12.779   3.003
   68    HD2  TYR  10           HD2      TYR  10  12.091   9.377   5.554
   69    HE1  TYR  10           HE1      TYR  10  11.309  14.191   4.912
   70    HE2  TYR  10           HE2      TYR  10  11.446  10.779   7.469
   71    HH   TYR  10           HH       TYR  10  11.724  13.904   7.635
   72    H    ARG  11           H        ARG  11  15.464   8.280   2.811
   73    HA   ARG  11           HA       ARG  11  16.478   9.162   5.434
   74    HB2  ARG  11           2HB      ARG  11  15.029   6.819   4.845
   75    HB3  ARG  11           3HB      ARG  11  16.695   6.311   5.088
   76    HG2  ARG  11           2HG      ARG  11  15.537   8.181   7.072
   77    HG3  ARG  11           3HG      ARG  11  14.963   6.513   7.082
   78    HD2  ARG  11           2HD      ARG  11  17.071   5.661   7.576
   79    HD3  ARG  11           3HD      ARG  11  17.894   7.118   7.021
   80    HE   ARG  11           HE       ARG  11  16.247   7.702   9.245
   81   HH11  ARG  11          1HH1      ARG  11  19.244   6.153   8.387
   82   HH12  ARG  11          2HH1      ARG  11  19.982   6.435   9.929
   83   HH21  ARG  11          1HH2      ARG  11  17.207   8.079  11.279
   84   HH22  ARG  11          2HH2      ARG  11  18.822   7.530  11.574
   85    H    ASN  12           H        ASN  12  17.274   8.749   2.300
   86    HA   ASN  12           HA       ASN  12  20.103   8.396   2.959
   87    HB2  ASN  12           2HB      ASN  12  18.707   6.305   1.905
   88    HB3  ASN  12           3HB      ASN  12  19.286   7.095   0.442
   89   HD21  ASN  12          1HD2      ASN  12  21.345   6.829  -0.156
   90   HD22  ASN  12          2HD2      ASN  12  22.537   5.980   0.761
   91    H2   MK8  13           H        MK8  13  18.312  10.730   2.182
   92    HB   MK8  13           2HB      MK8  13  17.548  10.749  -0.738
   93    HBA  MK8  13           3HB      MK8  13  17.458  12.501  -0.846
   94    HD   MK8  13           2HD      MK8  13  20.711  10.323  -2.330
   95    HDA  MK8  13           3HD      MK8  13  19.258   9.488  -1.746
   96    HE   MK8  13           HE       MK8  13  18.796  10.652  -4.454
   97    HG   MK8  13           2HG      MK8  13  18.290  11.825  -3.008
   98    HGA  MK8  13           3HG      MK8  13  19.729  12.402  -2.170
   99    HB1  MK8  13           HBA      MK8  13  21.284  11.986   0.662
  100   HB1A  MK8  13          HGA       MK8  13  20.978  11.216  -0.589
  101   HB1B  MK8  13          HDA       MK8  13  20.837  12.709  -0.574
  102    H    TYR  14           H        TYR  14  17.048  12.014   1.701
  103    HA   TYR  14           HA       TYR  14  17.127  14.828   2.229
  104    HB2  TYR  14           2HB      TYR  14  15.130  12.954   2.130
  105    HB3  TYR  14           3HB      TYR  14  15.295  13.213   3.863
  106    HD1  TYR  14           HD2      TYR  14  15.173  15.276   0.741
  107    HD2  TYR  14           HD1      TYR  14  13.933  14.821   4.786
  108    HE1  TYR  14           HE2      TYR  14  13.834  17.330   0.555
  109    HE2  TYR  14           HE1      TYR  14  12.589  16.874   4.611
  110    HH   TYR  14           HH       TYR  14  12.049  18.618   3.338
  111    H    THR  15           H        THR  15  18.341  12.034   3.785
  112    HA   THR  15           HA       THR  15  18.531  13.325   6.392
  113    HB   THR  15           HB       THR  15  19.404  10.575   5.486
  114    HG1  THR  15           HG1      THR  15  17.275  11.338   7.218
  115   HG21  THR  15          1HG2      THR  15  19.745  12.053   8.046
  116   HG22  THR  15          2HG2      THR  15  20.803  10.872   7.274
  117   HG23  THR  15          3HG2      THR  15  19.356  10.335   8.127
  118    H    MET  16           H        MET  16  20.438  12.757   3.580
  119    HA   MET  16           HA       MET  16  22.967  13.181   4.929
  120    HB2  MET  16           2HB      MET  16  22.543  11.687   2.862
  121    HB3  MET  16           3HB      MET  16  22.568  13.190   1.949
  122    HG2  MET  16           2HG      MET  16  24.766  13.028   1.837
  123    HG3  MET  16           3HG      MET  16  24.835  13.258   3.582
  124    HE1  MET  16           3HE      MET  16  26.451  11.711   4.778
  125    HE2  MET  16           1HE      MET  16  27.189  10.369   3.903
  126    HE3  MET  16           2HE      MET  16  27.212  11.991   3.211
  127    H    VAL  17           H        VAL  17  20.580  15.035   3.249
  128    HA   VAL  17           HA       VAL  17  22.293  17.272   2.675
  129    HB   VAL  17           HB       VAL  17  19.281  17.047   2.654
  130   HG11  VAL  17          1HG1      VAL  17  20.074  19.129   0.983
  131   HG12  VAL  17          2HG1      VAL  17  19.261  19.270   2.543
  132   HG13  VAL  17          3HG1      VAL  17  21.021  19.343   2.455
  133   HG21  VAL  17          3HG2      VAL  17  20.866  17.352   0.173
  134   HG22  VAL  17          1HG2      VAL  17  20.952  15.790   0.989
  135   HG23  VAL  17          2HG2      VAL  17  19.392  16.430   0.473
  136    H    LEU  18           H        LEU  18  19.937  16.429   5.165
  137    HA   LEU  18           HA       LEU  18  20.043  18.974   6.465
  138    HB2  LEU  18           2HB      LEU  18  18.547  18.110   7.990
  139    HB3  LEU  18           3HB      LEU  18  18.198  17.167   6.543
  140    HG   LEU  18           HG       LEU  18  19.933  15.503   7.692
  141   HD11  LEU  18          1HD1      LEU  18  19.077  15.595  10.201
  142   HD12  LEU  18          2HD1      LEU  18  19.011  17.320   9.844
  143   HD13  LEU  18          3HD1      LEU  18  20.531  16.442   9.672
  144   HD21  LEU  18          3HD2      LEU  18  17.172  15.501   8.814
  145   HD22  LEU  18          1HD2      LEU  18  18.128  14.168   8.167
  146   HD23  LEU  18          2HD2      LEU  18  17.393  15.339   7.072
  147    H    HIS  19           H        HIS  19  21.810  15.978   6.709
  148    HA   HIS  19           HA       HIS  19  23.012  16.511   9.240
  149    HB2  HIS  19           2HB      HIS  19  22.976  14.242   8.612
  150    HB3  HIS  19           3HB      HIS  19  23.614  14.585   7.007
  151    HD1  HIS  19           HD1      HIS  19  26.197  15.166   6.881
  152    HD2  HIS  19           HD2      HIS  19  24.863  13.736  10.547
  153    HE1  HIS  19           HE1      HIS  19  28.271  14.499   8.138
  154    H    LYS  20           H        LYS  20  24.272  16.659   5.907
  155    HA   LYS  20           HA       LYS  20  26.727  17.874   6.667
  156    HB2  LYS  20           2HB      LYS  20  26.681  16.650   4.622
  157    HB3  LYS  20           3HB      LYS  20  25.318  17.582   4.016
  158    HG2  LYS  20           2HG      LYS  20  27.550  19.299   4.637
  159    HG3  LYS  20           3HG      LYS  20  28.015  18.023   3.510
  160    HD2  LYS  20           2HD      LYS  20  27.207  19.462   1.969
  161    HD3  LYS  20           3HD      LYS  20  25.654  18.769   2.441
  162    HE2  LYS  20           2HE      LYS  20  25.019  20.631   3.590
  163    HE3  LYS  20           3HE      LYS  20  26.672  21.055   4.033
  164    HZ1  LYS  20           3HZ      LYS  20  25.206  22.277   2.120
  165    HZ2  LYS  20           1HZ      LYS  20  26.158  21.216   1.208
  166    HZ3  LYS  20           2HZ      LYS  20  26.893  22.338   2.238
  Start of MODEL    8
    1    H1   ASN   1           H        ASN   1   3.302  -2.020  -1.383
    2    HA   ASN   1           HA       ASN   1   5.500  -2.941  -2.149
    3    HB2  ASN   1           2HB      ASN   1   3.549  -4.591  -3.612
    4    HB3  ASN   1           3HB      ASN   1   4.907  -4.034  -4.584
    5   HD21  ASN   1          1HD2      ASN   1   3.828  -6.378  -2.495
    6   HD22  ASN   1          2HD2      ASN   1   5.347  -7.084  -2.072
    7    H    SER   2           H        SER   2   5.855  -0.755  -2.423
    8    HA   SER   2           HA       SER   2   4.874   0.423  -4.938
    9    HB2  SER   2           2HB      SER   2   4.988   1.444  -2.249
   10    HB3  SER   2           3HB      SER   2   5.966   2.457  -3.311
   11    HG   SER   2           HG       SER   2   3.986   2.295  -4.739
   12    H    GLY   3           H        GLY   3   7.699  -0.151  -2.931
   13    HA2  GLY   3           2HA      GLY   3   9.653  -0.645  -4.563
   14    HA3  GLY   3           3HA      GLY   3   9.421   1.043  -4.993
   15    H    LEU   4           H        LEU   4   8.787   1.891  -2.290
   16    HA   LEU   4           HA       LEU   4   9.853   2.756  -0.478
   17    HB2  LEU   4           2HB      LEU   4  11.533   0.259  -0.628
   18    HB3  LEU   4           3HB      LEU   4  11.311   1.299   0.778
   19    HG   LEU   4           HG       LEU   4   9.129  -0.342  -0.507
   20   HD11  LEU   4          1HD1      LEU   4   9.700  -2.087   0.751
   21   HD12  LEU   4          2HD1      LEU   4   9.956  -1.079   2.175
   22   HD13  LEU   4          3HD1      LEU   4  11.249  -1.279   0.993
   23   HD21  LEU   4          3HD2      LEU   4   8.454   0.258   2.105
   24   HD22  LEU   4          1HD2      LEU   4   7.804   1.022   0.654
   25   HD23  LEU   4          2HD2      LEU   4   9.167   1.755   1.501
   26    H    SER   5           H        SER   5  10.893   3.234  -3.225
   27    HA   SER   5           HA       SER   5  13.750   3.570  -2.843
   28    HB2  SER   5           2HB      SER   5  11.881   4.122  -5.145
   29    HB3  SER   5           3HB      SER   5  13.569   4.632  -5.169
   30    HG   SER   5           HG       SER   5  13.792   2.677  -5.968
   31    H    PHE   6           H        PHE   6  10.841   5.541  -2.990
   32    HA   PHE   6           HA       PHE   6  12.203   8.047  -2.940
   33    HB2  PHE   6           2HB      PHE   6   9.933   8.956  -2.359
   34    HB3  PHE   6           3HB      PHE   6   9.976   7.989  -3.829
   35    HD1  PHE   6           HD2      PHE   6   9.023   7.959  -0.262
   36    HD2  PHE   6           HD1      PHE   6   8.680   6.034  -4.043
   37    HE1  PHE   6           HE2      PHE   6   7.224   6.537   0.629
   38    HE2  PHE   6           HE1      PHE   6   6.880   4.610  -3.158
   39    HZ   PHE   6           HZ       PHE   6   6.150   4.859  -0.819
   40    H    GLU   7           H        GLU   7  11.097   5.797  -0.527
   41    HA   GLU   7           HA       GLU   7  11.357   7.663   1.659
   42    HB2  GLU   7           2HB      GLU   7  10.749   5.831   3.083
   43    HB3  GLU   7           3HB      GLU   7   9.719   5.775   1.660
   44    HG2  GLU   7           2HG      GLU   7  10.266   3.627   1.538
   45    HG3  GLU   7           3HG      GLU   7  11.827   4.181   0.935
   46    H    GLU   8           H        GLU   8  13.359   5.374   0.007
   47    HA   GLU   8           HA       GLU   8  15.314   5.140   2.103
   48    HB2  GLU   8           2HB      GLU   8  14.804   3.454   0.213
   49    HB3  GLU   8           3HB      GLU   8  15.806   4.493  -0.791
   50    HG2  GLU   8           2HG      GLU   8  17.105   3.873   1.712
   51    HG3  GLU   8           3HG      GLU   8  16.655   2.414   0.831
   52    H2   MK8   9           H        MK8   9  14.838   7.194  -0.790
   53    HB   MK8   9           2HB      MK8   9  15.040   8.938  -2.261
   54    HBA  MK8   9           3HB      MK8   9  16.194  10.252  -2.077
   55    HD   MK8   9           2HD      MK8   9  18.167   9.738  -4.598
   56    HDA  MK8   9           3HD      MK8   9  18.323  10.205  -2.893
   57    HE   MK8   9           HE       MK8   9  19.798   7.995  -2.461
   58    HG   MK8   9           2HG      MK8   9  17.263   7.523  -3.001
   59    HGA  MK8   9           3HG      MK8   9  16.317   8.471  -4.146
   60    HB1  MK8   9           HBA      MK8   9  18.681   8.923  -1.042
   61   HB1A  MK8   9          HGA       MK8   9  18.493   8.075   0.181
   62   HB1B  MK8   9          HDA       MK8   9  18.361   7.464  -1.182
   63    H    TYR  10           H        TYR  10  14.433   8.796   0.524
   64    HA   TYR  10           HA       TYR  10  14.697  11.367   1.676
   65    HB2  TYR  10           2HB      TYR  10  12.511  10.348   1.236
   66    HB3  TYR  10           3HB      TYR  10  12.843   9.098   2.430
   67    HD1  TYR  10           HD2      TYR  10  12.473  12.785   2.072
   68    HD2  TYR  10           HD1      TYR  10  12.227   9.415   4.657
   69    HE1  TYR  10           HE2      TYR  10  11.497  14.208   3.824
   70    HE2  TYR  10           HE1      TYR  10  11.249  10.829   6.416
   71    HH   TYR  10           HH       TYR  10   9.972  12.982   6.549
   72    H    ARG  11           H        ARG  11  16.078   8.417   2.504
   73    HA   ARG  11           HA       ARG  11  16.650   9.390   5.225
   74    HB2  ARG  11           2HB      ARG  11  15.610   6.826   4.333
   75    HB3  ARG  11           3HB      ARG  11  17.087   6.642   5.270
   76    HG2  ARG  11           2HG      ARG  11  15.785   8.367   6.848
   77    HG3  ARG  11           3HG      ARG  11  14.408   7.548   6.107
   78    HD2  ARG  11           2HD      ARG  11  14.828   6.252   7.983
   79    HD3  ARG  11           3HD      ARG  11  15.675   5.378   6.707
   80    HE   ARG  11           HE       ARG  11  17.446   7.196   7.912
   81   HH11  ARG  11          1HH1      ARG  11  15.747   4.238   8.609
   82   HH12  ARG  11          2HH1      ARG  11  16.932   3.671   9.739
   83   HH21  ARG  11          1HH2      ARG  11  19.013   6.459   9.397
   84   HH22  ARG  11          2HH2      ARG  11  18.789   4.935  10.187
   85    H    ASN  12           H        ASN  12  17.926   8.949   2.258
   86    HA   ASN  12           HA       ASN  12  20.634   8.725   3.343
   87    HB2  ASN  12           2HB      ASN  12  19.493   6.558   2.146
   88    HB3  ASN  12           3HB      ASN  12  20.257   7.343   0.766
   89   HD21  ASN  12          1HD2      ASN  12  22.543   7.810   0.923
   90   HD22  ASN  12          2HD2      ASN  12  23.555   6.773   1.864
   91    H2   MK8  13           H        MK8  13  18.896  10.968   2.247
   92    HB   MK8  13           2HB      MK8  13  18.581  10.898  -0.754
   93    HBA  MK8  13           3HB      MK8  13  18.442  12.643  -0.919
   94    HD   MK8  13           2HD      MK8  13  21.962  10.571  -1.842
   95    HDA  MK8  13           3HD      MK8  13  20.469   9.689  -1.462
   96    HE   MK8  13           HE       MK8  13  20.378  10.780  -4.237
   97    HG   MK8  13           2HG      MK8  13  19.616  11.960  -2.914
   98    HGA  MK8  13           3HG      MK8  13  20.890  12.611  -1.884
   99    HB1  MK8  13           HBA      MK8  13  22.014  12.314   1.158
  100   HB1A  MK8  13          HGA       MK8  13  21.929  11.509  -0.104
  101   HB1B  MK8  13          HDA       MK8  13  21.731  12.995  -0.148
  102    H    TYR  14           H        TYR  14  17.671  12.190   1.549
  103    HA   TYR  14           HA       TYR  14  17.564  15.015   2.011
  104    HB2  TYR  14           2HB      TYR  14  15.677  13.059   1.661
  105    HB3  TYR  14           3HB      TYR  14  15.568  13.359   3.392
  106    HD1  TYR  14           HD1      TYR  14  15.843  15.353   0.235
  107    HD2  TYR  14           HD2      TYR  14  14.025  14.930   4.058
  108    HE1  TYR  14           HE1      TYR  14  14.471  17.346  -0.204
  109    HE2  TYR  14           HE2      TYR  14  12.647  16.922   3.630
  110    HH   TYR  14           HH       TYR  14  13.276  19.139   1.366
  111    H    THR  15           H        THR  15  18.633  12.303   3.802
  112    HA   THR  15           HA       THR  15  18.378  13.651   6.374
  113    HB   THR  15           HB       THR  15  19.481  10.922   5.680
  114    HG1  THR  15           HG1      THR  15  17.128  11.515   7.147
  115   HG21  THR  15          1HG2      THR  15  20.567  11.244   7.653
  116   HG22  THR  15          2HG2      THR  15  18.998  10.780   8.311
  117   HG23  THR  15          3HG2      THR  15  19.438  12.483   8.197
  118    H    MET  16           H        MET  16  20.708  13.108   3.896
  119    HA   MET  16           HA       MET  16  22.987  13.661   5.599
  120    HB2  MET  16           2HB      MET  16  22.938  12.111   3.531
  121    HB3  MET  16           3HB      MET  16  23.041  13.596   2.594
  122    HG2  MET  16           2HG      MET  16  25.035  13.798   4.540
  123    HG3  MET  16           3HG      MET  16  25.108  12.140   3.948
  124    HE1  MET  16           3HE      MET  16  27.902  14.325   2.711
  125    HE2  MET  16           1HE      MET  16  27.379  12.957   3.694
  126    HE3  MET  16           2HE      MET  16  27.797  12.714   1.998
  127    H    VAL  17           H        VAL  17  20.813  15.383   3.532
  128    HA   VAL  17           HA       VAL  17  22.507  17.677   3.165
  129    HB   VAL  17           HB       VAL  17  19.543  17.329   2.700
  130   HG11  VAL  17          1HG1      VAL  17  19.606  19.590   2.771
  131   HG12  VAL  17          2HG1      VAL  17  21.340  19.662   2.454
  132   HG13  VAL  17          3HG1      VAL  17  20.211  19.391   1.127
  133   HG21  VAL  17          3HG2      VAL  17  21.585  16.178   1.324
  134   HG22  VAL  17          1HG2      VAL  17  20.011  16.576   0.635
  135   HG23  VAL  17          2HG2      VAL  17  21.369  17.682   0.429
  136    H    LEU  18           H        LEU  18  19.835  16.788   5.295
  137    HA   LEU  18           HA       LEU  18  19.649  19.359   6.532
  138    HB2  LEU  18           2HB      LEU  18  17.976  18.463   7.839
  139    HB3  LEU  18           3HB      LEU  18  17.883  17.480   6.379
  140    HG   LEU  18           HG       LEU  18  19.488  15.910   7.814
  141   HD11  LEU  18          1HD1      LEU  18  18.180  16.061  10.159
  142   HD12  LEU  18          2HD1      LEU  18  18.268  17.773   9.743
  143   HD13  LEU  18          3HD1      LEU  18  19.746  16.817   9.860
  144   HD21  LEU  18          3HD2      LEU  18  17.094  15.609   6.820
  145   HD22  LEU  18          1HD2      LEU  18  16.582  15.835   8.493
  146   HD23  LEU  18          2HD2      LEU  18  17.674  14.514   8.076
  147    H    HIS  19           H        HIS  19  21.471  16.444   7.114
  148    HA   HIS  19           HA       HIS  19  22.259  17.077   9.780
  149    HB2  HIS  19           2HB      HIS  19  22.400  14.795   9.215
  150    HB3  HIS  19           3HB      HIS  19  23.259  15.130   7.715
  151    HD1  HIS  19           HD1      HIS  19  25.808  15.811   7.959
  152    HD2  HIS  19           HD2      HIS  19  23.994  14.408  11.423
  153    HE1  HIS  19           HE1      HIS  19  27.693  15.255   9.527
  154    H    LYS  20           H        LYS  20  23.988  17.216   6.666
  155    HA   LYS  20           HA       LYS  20  26.255  18.548   7.756
  156    HB2  LYS  20           2HB      LYS  20  26.532  17.246   5.760
  157    HB3  LYS  20           3HB      LYS  20  25.294  18.169   4.919
  158    HG2  LYS  20           2HG      LYS  20  27.314  19.960   5.833
  159    HG3  LYS  20           3HG      LYS  20  28.075  18.618   4.974
  160    HD2  LYS  20           2HD      LYS  20  27.618  20.182   3.297
  161    HD3  LYS  20           3HD      LYS  20  26.296  19.020   3.169
  162    HE2  LYS  20           2HE      LYS  20  25.470  21.310   3.019
  163    HE3  LYS  20           3HE      LYS  20  24.857  20.509   4.465
  164    HZ1  LYS  20           3HZ      LYS  20  27.260  21.775   5.124
  165    HZ2  LYS  20           1HZ      LYS  20  25.702  22.138   5.675
  166    HZ3  LYS  20           2HZ      LYS  20  26.307  22.897   4.290
  Start of MODEL    9
    1    H1   ASN   1           H        ASN   1   8.556   4.363  -5.773
    2    HA   ASN   1           HA       ASN   1   7.009   3.086  -7.193
    3    HB2  ASN   1           2HB      ASN   1   9.334   4.092  -8.036
    4    HB3  ASN   1           3HB      ASN   1   9.666   2.390  -8.345
    5   HD21  ASN   1          1HD2      ASN   1   9.753   2.985 -10.577
    6   HD22  ASN   1          2HD2      ASN   1   8.293   3.153 -11.486
    7    H    SER   2           H        SER   2   9.867   1.245  -6.151
    8    HA   SER   2           HA       SER   2   8.550  -1.254  -6.878
    9    HB2  SER   2           2HB      SER   2  11.270  -0.376  -6.656
   10    HB3  SER   2           3HB      SER   2  11.027  -1.758  -5.588
   11    HG   SER   2           HG       SER   2  10.905  -1.603  -8.361
   12    H    GLY   3           H        GLY   3   9.611   0.529  -4.038
   13    HA2  GLY   3           2HA      GLY   3   7.861  -0.073  -2.186
   14    HA3  GLY   3           3HA      GLY   3   8.672  -1.629  -2.288
   15    H    LEU   4           H        LEU   4   8.498   0.969  -0.425
   16    HA   LEU   4           HA       LEU   4   9.813   1.911   1.173
   17    HB2  LEU   4           2HB      LEU   4  11.714  -0.368   0.688
   18    HB3  LEU   4           3HB      LEU   4  11.516   0.578   2.162
   19    HG   LEU   4           HG       LEU   4   9.577  -1.439   1.035
   20   HD11  LEU   4          1HD1      LEU   4  10.266  -2.053   3.660
   21   HD12  LEU   4          2HD1      LEU   4  11.783  -1.594   2.887
   22   HD13  LEU   4          3HD1      LEU   4  10.798  -2.884   2.198
   23   HD21  LEU   4          3HD2      LEU   4   8.325  -1.012   3.151
   24   HD22  LEU   4          1HD2      LEU   4   8.300   0.332   2.010
   25   HD23  LEU   4          2HD2      LEU   4   9.359   0.393   3.419
   26    H    SER   5           H        SER   5  10.265   2.482  -1.712
   27    HA   SER   5           HA       SER   5  13.104   3.063  -1.875
   28    HB2  SER   5           2HB      SER   5  11.422   4.265  -3.939
   29    HB3  SER   5           3HB      SER   5  12.774   3.144  -4.101
   30    HG   SER   5           HG       SER   5  11.407   1.565  -4.295
   31    H    PHE   6           H        PHE   6  10.065   4.777  -1.425
   32    HA   PHE   6           HA       PHE   6  11.186   7.391  -1.596
   33    HB2  PHE   6           2HB      PHE   6   9.019   8.115  -0.599
   34    HB3  PHE   6           3HB      PHE   6   8.825   7.082  -2.011
   35    HD1  PHE   6           HD1      PHE   6   8.617   7.201   1.665
   36    HD2  PHE   6           HD2      PHE   6   7.743   4.982  -1.860
   37    HE1  PHE   6           HE1      PHE   6   7.181   5.692   2.975
   38    HE2  PHE   6           HE2      PHE   6   6.305   3.470  -0.557
   39    HZ   PHE   6           HZ       PHE   6   6.022   3.824   1.864
   40    H    GLU   7           H        GLU   7  10.759   5.061   0.961
   41    HA   GLU   7           HA       GLU   7  11.317   6.943   3.075
   42    HB2  GLU   7           2HB      GLU   7  10.145   4.425   2.944
   43    HB3  GLU   7           3HB      GLU   7  11.670   4.139   3.770
   44    HG2  GLU   7           2HG      GLU   7  10.256   6.479   4.765
   45    HG3  GLU   7           3HG      GLU   7   9.338   4.984   4.934
   46    H    GLU   8           H        GLU   8  13.115   4.818   1.018
   47    HA   GLU   8           HA       GLU   8  15.461   4.727   2.675
   48    HB2  GLU   8           2HB      GLU   8  14.964   2.910   1.114
   49    HB3  GLU   8           3HB      GLU   8  15.076   4.025  -0.240
   50    HG2  GLU   8           2HG      GLU   8  17.454   4.436   0.401
   51    HG3  GLU   8           3HG      GLU   8  17.295   3.138   1.583
   52    H2   MK8   9           H        MK8   9  14.257   6.770  -0.004
   53    HB   MK8   9           2HB      MK8   9  14.020   8.547  -1.428
   54    HBA  MK8   9           3HB      MK8   9  15.086   9.945  -1.444
   55    HD   MK8   9           2HD      MK8   9  16.526   9.630  -4.331
   56    HDA  MK8   9           3HD      MK8   9  17.000  10.076  -2.680
   57    HE   MK8   9           HE       MK8   9  18.690   7.983  -2.636
   58    HG   MK8   9           2HG      MK8   9  16.135   7.323  -2.658
   59    HGA  MK8   9           3HG      MK8   9  14.906   8.216  -3.551
   60    HB1  MK8   9           HBA      MK8   9  17.828   8.796  -0.987
   61   HB1A  MK8   9          HGA       MK8   9  17.959   7.911   0.217
   62   HB1B  MK8   9          HDA       MK8   9  17.588   7.321  -1.111
   63    H    TYR  10           H        TYR  10  14.016   8.325   1.413
   64    HA   TYR  10           HA       TYR  10  14.332  10.889   2.564
   65    HB2  TYR  10           2HB      TYR  10  12.208   9.524   2.509
   66    HB3  TYR  10           3HB      TYR  10  12.890   8.537   3.797
   67    HD1  TYR  10           HD1      TYR  10  11.874  12.006   2.944
   68    HD2  TYR  10           HD2      TYR  10  12.728   9.216   6.040
   69    HE1  TYR  10           HE1      TYR  10  11.018  13.601   4.609
   70    HE2  TYR  10           HE2      TYR  10  11.873  10.802   7.714
   71    HH   TYR  10           HH       TYR  10  11.604  13.818   7.419
   72    H    ARG  11           H        ARG  11  16.055   8.034   3.004
   73    HA   ARG  11           HA       ARG  11  17.113   9.008   5.575
   74    HB2  ARG  11           2HB      ARG  11  16.109   6.378   4.827
   75    HB3  ARG  11           3HB      ARG  11  17.747   6.308   5.462
   76    HG2  ARG  11           2HG      ARG  11  17.120   6.975   7.548
   77    HG3  ARG  11           3HG      ARG  11  15.742   7.906   6.956
   78    HD2  ARG  11           2HD      ARG  11  14.491   6.197   7.669
   79    HD3  ARG  11           3HD      ARG  11  15.085   5.338   6.248
   80    HE   ARG  11           HE       ARG  11  16.306   3.991   7.630
   81   HH11  ARG  11          1HH1      ARG  11  15.392   6.861   9.376
   82   HH12  ARG  11          2HH1      ARG  11  15.996   6.286  10.895
   83   HH21  ARG  11          1HH2      ARG  11  17.105   3.224   9.625
   84   HH22  ARG  11          2HH2      ARG  11  16.970   4.218  11.035
   85    H    ASN  12           H        ASN  12  17.773   8.719   2.398
   86    HA   ASN  12           HA       ASN  12  20.656   8.681   2.894
   87    HB2  ASN  12           2HB      ASN  12  19.445   6.453   1.888
   88    HB3  ASN  12           3HB      ASN  12  19.855   7.315   0.408
   89   HD21  ASN  12          1HD2      ASN  12  22.202   8.509   1.042
   90   HD22  ASN  12          2HD2      ASN  12  23.409   7.317   1.366
   91    H2   MK8  13           H        MK8  13  18.574  10.803   2.250
   92    HB   MK8  13           2HB      MK8  13  17.648  10.754  -0.624
   93    HBA  MK8  13           3HB      MK8  13  17.352  12.486  -0.701
   94    HD   MK8  13           2HD      MK8  13  20.742  10.705  -2.397
   95    HDA  MK8  13           3HD      MK8  13  19.429   9.706  -1.745
   96    HE   MK8  13           HE       MK8  13  18.681  10.831  -4.404
   97    HG   MK8  13           2HG      MK8  13  18.131  11.928  -2.916
   98    HGA  MK8  13           3HG      MK8  13  19.541  12.657  -2.152
   99    HB1  MK8  13           HBA      MK8  13  21.293  12.397   0.582
  100   HB1A  MK8  13          HGA       MK8  13  21.004  11.607  -0.660
  101   HB1B  MK8  13          HDA       MK8  13  20.697  13.075  -0.616
  102    H    TYR  14           H        TYR  14  17.147  11.938   1.858
  103    HA   TYR  14           HA       TYR  14  16.940  14.740   2.418
  104    HB2  TYR  14           2HB      TYR  14  15.163  12.653   2.404
  105    HB3  TYR  14           3HB      TYR  14  15.394  12.918   4.128
  106    HD1  TYR  14           HD1      TYR  14  14.869  14.974   1.044
  107    HD2  TYR  14           HD2      TYR  14  13.915  14.358   5.144
  108    HE1  TYR  14           HE1      TYR  14  13.299  16.866   0.957
  109    HE2  TYR  14           HE2      TYR  14  12.342  16.247   5.069
  110    HH   TYR  14           HH       TYR  14  11.120  17.515   2.372
  111    H    THR  15           H        THR  15  18.545  12.089   3.865
  112    HA   THR  15           HA       THR  15  18.734  13.371   6.476
  113    HB   THR  15           HB       THR  15  19.861  10.746   5.484
  114    HG1  THR  15           HG1      THR  15  17.575  11.483   6.986
  115   HG21  THR  15          1HG2      THR  15  21.320  11.246   7.196
  116   HG22  THR  15          2HG2      THR  15  20.027  10.446   8.090
  117   HG23  THR  15          3HG2      THR  15  20.130  12.207   8.073
  118    H    MET  16           H        MET  16  20.532  13.047   3.556
  119    HA   MET  16           HA       MET  16  23.069  13.744   4.770
  120    HB2  MET  16           2HB      MET  16  22.700  12.229   2.707
  121    HB3  MET  16           3HB      MET  16  22.505  13.733   1.817
  122    HG2  MET  16           2HG      MET  16  24.709  14.374   2.167
  123    HG3  MET  16           3HG      MET  16  24.915  13.266   3.521
  124    HE1  MET  16           3HE      MET  16  26.252  12.852  -0.569
  125    HE2  MET  16           1HE      MET  16  24.496  12.909  -0.730
  126    HE3  MET  16           2HE      MET  16  25.340  14.169   0.171
  127    H    VAL  17           H        VAL  17  20.397  15.329   3.250
  128    HA   VAL  17           HA       VAL  17  21.812  17.751   2.616
  129    HB   VAL  17           HB       VAL  17  18.848  17.187   2.760
  130   HG11  VAL  17          1HG1      VAL  17  18.644  19.414   2.773
  131   HG12  VAL  17          2HG1      VAL  17  20.348  19.662   2.386
  132   HG13  VAL  17          3HG1      VAL  17  19.187  19.340   1.097
  133   HG21  VAL  17          3HG2      VAL  17  20.086  17.719   0.165
  134   HG22  VAL  17          1HG2      VAL  17  20.668  16.249   0.947
  135   HG23  VAL  17          2HG2      VAL  17  18.944  16.462   0.641
  136    H    LEU  18           H        LEU  18  19.709  16.627   5.220
  137    HA   LEU  18           HA       LEU  18  19.602  19.156   6.550
  138    HB2  LEU  18           2HB      LEU  18  18.305  18.114   8.144
  139    HB3  LEU  18           3HB      LEU  18  17.981  17.151   6.705
  140    HG   LEU  18           HG       LEU  18  19.957  15.684   7.727
  141   HD11  LEU  18          1HD1      LEU  18  20.554  16.321   9.768
  142   HD12  LEU  18          2HD1      LEU  18  18.946  15.849  10.318
  143   HD13  LEU  18          3HD1      LEU  18  19.260  17.517   9.840
  144   HD21  LEU  18          3HD2      LEU  18  17.422  15.235   7.249
  145   HD22  LEU  18          1HD2      LEU  18  17.280  15.362   9.002
  146   HD23  LEU  18          2HD2      LEU  18  18.343  14.148   8.290
  147    H    HIS  19           H        HIS  19  21.708  16.378   6.653
  148    HA   HIS  19           HA       HIS  19  22.985  17.026   9.118
  149    HB2  HIS  19           2HB      HIS  19  23.169  14.771   8.463
  150    HB3  HIS  19           3HB      HIS  19  23.671  15.196   6.829
  151    HD1  HIS  19           HD1      HIS  19  26.159  16.066   6.565
  152    HD2  HIS  19           HD2      HIS  19  25.211  14.471  10.281
  153    HE1  HIS  19           HE1      HIS  19  28.365  15.631   7.692
  154    H    LYS  20           H        LYS  20  24.016  17.349   5.721
  155    HA   LYS  20           HA       LYS  20  26.359  18.832   6.363
  156    HB2  LYS  20           2HB      LYS  20  26.303  17.587   4.311
  157    HB3  LYS  20           3HB      LYS  20  24.859  18.434   3.773
  158    HG2  LYS  20           2HG      LYS  20  26.888  20.356   4.310
  159    HG3  LYS  20           3HG      LYS  20  27.561  19.086   3.285
  160    HD2  LYS  20           2HD      LYS  20  26.665  20.369   1.644
  161    HD3  LYS  20           3HD      LYS  20  25.215  19.444   2.044
  162    HE2  LYS  20           2HE      LYS  20  24.698  21.812   1.901
  163    HE3  LYS  20           3HE      LYS  20  24.503  21.240   3.557
  164    HZ1  LYS  20           3HZ      LYS  20  27.136  22.130   3.243
  165    HZ2  LYS  20           1HZ      LYS  20  25.918  22.788   4.216
  166    HZ3  LYS  20           2HZ      LYS  20  26.114  23.329   2.626
  Start of MODEL   10
    1    H1   ASN   1           H        ASN   1   3.656   3.392   1.351
    2    HA   ASN   1           HA       ASN   1   6.150   3.293   1.250
    3    HB2  ASN   1           2HB      ASN   1   7.174   1.394   2.502
    4    HB3  ASN   1           3HB      ASN   1   6.488   2.632   3.551
    5   HD21  ASN   1          1HD2      ASN   1   6.696  -0.614   2.985
    6   HD22  ASN   1          2HD2      ASN   1   5.329  -1.146   3.898
    7    H    SER   2           H        SER   2   4.301   2.730  -0.558
    8    HA   SER   2           HA       SER   2   3.947   0.029  -1.257
    9    HB2  SER   2           2HB      SER   2   3.064   2.471  -2.236
   10    HB3  SER   2           3HB      SER   2   4.047   1.829  -3.552
   11    HG   SER   2           HG       SER   2   1.599   1.179  -3.012
   12    H    GLY   3           H        GLY   3   6.483   2.349  -2.004
   13    HA2  GLY   3           2HA      GLY   3   7.843   0.357  -3.677
   14    HA3  GLY   3           3HA      GLY   3   8.250   2.064  -3.573
   15    H    LEU   4           H        LEU   4  10.284   2.162  -2.868
   16    HA   LEU   4           HA       LEU   4  10.967   1.548  -0.224
   17    HB2  LEU   4           2HB      LEU   4  12.706  -0.233  -0.801
   18    HB3  LEU   4           3HB      LEU   4  11.021  -0.731  -0.671
   19    HG   LEU   4           HG       LEU   4  11.541  -0.074  -3.389
   20   HD11  LEU   4          1HD1      LEU   4  13.445  -1.141  -3.985
   21   HD12  LEU   4          2HD1      LEU   4  13.342  -2.303  -2.664
   22   HD13  LEU   4          3HD1      LEU   4  13.930  -0.669  -2.357
   23   HD21  LEU   4          3HD2      LEU   4  10.468  -2.038  -3.758
   24   HD22  LEU   4          1HD2      LEU   4  10.023  -1.822  -2.065
   25   HD23  LEU   4          2HD2      LEU   4  11.357  -2.892  -2.496
   26    H    SER   5           H        SER   5  12.282   1.734  -3.516
   27    HA   SER   5           HA       SER   5  14.817   2.702  -2.893
   28    HB2  SER   5           2HB      SER   5  13.069   2.729  -5.287
   29    HB3  SER   5           3HB      SER   5  14.369   3.921  -5.263
   30    HG   SER   5           HG       SER   5  15.244   2.112  -6.143
   31    H    PHE   6           H        PHE   6  11.742   4.369  -3.152
   32    HA   PHE   6           HA       PHE   6  12.836   7.004  -3.066
   33    HB2  PHE   6           2HB      PHE   6  10.303   5.871  -3.503
   34    HB3  PHE   6           3HB      PHE   6  10.131   6.864  -2.060
   35    HD1  PHE   6           HD2      PHE   6  11.238   6.931  -5.592
   36    HD2  PHE   6           HD1      PHE   6   9.981   9.192  -2.212
   37    HE1  PHE   6           HE2      PHE   6  11.075   8.941  -7.001
   38    HE2  PHE   6           HE1      PHE   6   9.815  11.206  -3.616
   39    HZ   PHE   6           HZ       PHE   6  10.364  11.082  -6.014
   40    H    GLU   7           H        GLU   7  11.993   4.624  -0.696
   41    HA   GLU   7           HA       GLU   7  11.941   6.500   1.503
   42    HB2  GLU   7           2HB      GLU   7  11.012   3.879   1.079
   43    HB3  GLU   7           3HB      GLU   7  12.246   3.753   2.325
   44    HG2  GLU   7           2HG      GLU   7  10.798   4.461   3.831
   45    HG3  GLU   7           3HG      GLU   7  10.627   5.982   2.957
   46    H    GLU   8           H        GLU   8  14.247   4.480  -0.102
   47    HA   GLU   8           HA       GLU   8  16.160   4.485   2.048
   48    HB2  GLU   8           2HB      GLU   8  15.823   2.853  -0.057
   49    HB3  GLU   8           3HB      GLU   8  17.037   3.932  -0.732
   50    HG2  GLU   8           2HG      GLU   8  18.265   2.189   0.191
   51    HG3  GLU   8           3HG      GLU   8  18.373   3.477   1.391
   52    H2   MK8   9           H        MK8   9  15.519   6.444  -0.878
   53    HB   MK8   9           2HB      MK8   9  15.554   8.185  -2.367
   54    HBA  MK8   9           3HB      MK8   9  16.538   9.628  -2.169
   55    HD   MK8   9           2HD      MK8   9  18.625   9.328  -4.633
   56    HDA  MK8   9           3HD      MK8   9  18.678   9.828  -2.931
   57    HE   MK8   9           HE       MK8   9  20.392   7.811  -2.432
   58    HG   MK8   9           2HG      MK8   9  17.949   7.037  -3.031
   59    HGA  MK8   9           3HG      MK8   9  16.927   7.854  -4.211
   60    HB1  MK8   9           HBA      MK8   9  19.136   8.614  -1.055
   61   HB1A  MK8   9          HGA       MK8   9  19.017   7.763   0.175
   62   HB1B  MK8   9          HDA       MK8   9  18.995   7.126  -1.182
   63    H    TYR  10           H        TYR  10  14.892   7.998   0.404
   64    HA   TYR  10           HA       TYR  10  14.817  10.593   1.529
   65    HB2  TYR  10           2HB      TYR  10  12.780   9.318   1.047
   66    HB3  TYR  10           3HB      TYR  10  13.226   8.125   2.262
   67    HD1  TYR  10           HD2      TYR  10  12.407  11.731   1.844
   68    HD2  TYR  10           HD1      TYR  10  12.542   8.393   4.479
   69    HE1  TYR  10           HE2      TYR  10  11.223  13.042   3.555
   70    HE2  TYR  10           HE1      TYR  10  11.356   9.694   6.197
   71    HH   TYR  10           HH       TYR  10   9.697  12.447   5.599
   72    H    ARG  11           H        ARG  11  16.516   7.835   2.430
   73    HA   ARG  11           HA       ARG  11  16.895   8.895   5.153
   74    HB2  ARG  11           2HB      ARG  11  16.109   6.256   4.305
   75    HB3  ARG  11           3HB      ARG  11  17.648   6.182   5.153
   76    HG2  ARG  11           2HG      ARG  11  16.747   6.838   7.140
   77    HG3  ARG  11           3HG      ARG  11  15.461   7.773   6.374
   78    HD2  ARG  11           2HD      ARG  11  14.054   6.038   6.389
   79    HD3  ARG  11           3HD      ARG  11  15.287   4.931   5.786
   80    HE   ARG  11           HE       ARG  11  15.930   5.374   8.418
   81   HH11  ARG  11          1HH1      ARG  11  13.169   4.157   6.681
   82   HH12  ARG  11          2HH1      ARG  11  12.660   3.110   7.964
   83   HH21  ARG  11          1HH2      ARG  11  15.270   3.999  10.114
   84   HH22  ARG  11          2HH2      ARG  11  13.855   3.021   9.917
   85    H    ASN  12           H        ASN  12  18.294   8.580   2.225
   86    HA   ASN  12           HA       ASN  12  20.979   8.690   3.383
   87    HB2  ASN  12           2HB      ASN  12  20.135   6.392   2.183
   88    HB3  ASN  12           3HB      ASN  12  20.838   7.249   0.814
   89   HD21  ASN  12          1HD2      ASN  12  23.043   7.803   0.873
   90   HD22  ASN  12          2HD2      ASN  12  24.147   6.973   1.910
   91    H2   MK8  13           H        MK8  13  19.017  10.700   2.214
   92    HB   MK8  13           2HB      MK8  13  18.795  10.566  -0.793
   93    HBA  MK8  13           3HB      MK8  13  18.455  12.280  -0.983
   94    HD   MK8  13           2HD      MK8  13  22.219  10.633  -1.789
   95    HDA  MK8  13           3HD      MK8  13  20.832   9.583  -1.436
   96    HE   MK8  13           HE       MK8  13  20.687  10.630  -4.226
   97    HG   MK8  13           2HG      MK8  13  19.755  11.723  -2.938
   98    HGA  MK8  13           3HG      MK8  13  20.914  12.530  -1.884
   99    HB1  MK8  13           HBA      MK8  13  21.982  12.397   1.190
  100   HB1A  MK8  13          HGA       MK8  13  22.028  11.575  -0.064
  101   HB1B  MK8  13          HDA       MK8  13  21.657  13.027  -0.132
  102    H    TYR  14           H        TYR  14  17.675  11.762   1.470
  103    HA   TYR  14           HA       TYR  14  17.223  14.558   1.893
  104    HB2  TYR  14           2HB      TYR  14  15.590  12.389   1.519
  105    HB3  TYR  14           3HB      TYR  14  15.400  12.689   3.243
  106    HD1  TYR  14           HD2      TYR  14  15.522  14.673   0.070
  107    HD2  TYR  14           HD1      TYR  14  13.662  14.069   3.849
  108    HE1  TYR  14           HE2      TYR  14  13.936  16.486  -0.427
  109    HE2  TYR  14           HE1      TYR  14  12.070  15.879   3.361
  110    HH   TYR  14           HH       TYR  14  11.444  17.039   0.439
  111    H    THR  15           H        THR  15  18.556  12.009   3.745
  112    HA   THR  15           HA       THR  15  18.074  13.342   6.293
  113    HB   THR  15           HB       THR  15  19.510  10.756   5.662
  114    HG1  THR  15           HG1      THR  15  17.537  10.041   6.944
  115   HG21  THR  15          1HG2      THR  15  20.486  11.577   7.657
  116   HG22  THR  15          2HG2      THR  15  19.264  10.412   8.167
  117   HG23  THR  15          3HG2      THR  15  18.934  12.141   8.273
  118    H    MET  16           H        MET  16  20.517  13.055   3.882
  119    HA   MET  16           HA       MET  16  22.668  13.890   5.636
  120    HB2  MET  16           2HB      MET  16  22.860  12.325   3.589
  121    HB3  MET  16           3HB      MET  16  22.809  13.801   2.634
  122    HG2  MET  16           2HG      MET  16  25.023  13.796   2.856
  123    HG3  MET  16           3HG      MET  16  24.714  14.405   4.480
  124    HE1  MET  16           3HE      MET  16  27.300  13.479   4.357
  125    HE2  MET  16           1HE      MET  16  27.707  11.800   4.715
  126    HE3  MET  16           2HE      MET  16  27.254  12.267   3.076
  127    H    VAL  17           H        VAL  17  20.363  15.322   3.493
  128    HA   VAL  17           HA       VAL  17  21.784  17.798   3.141
  129    HB   VAL  17           HB       VAL  17  18.896  17.096   2.601
  130   HG11  VAL  17          1HG1      VAL  17  18.995  19.449   2.903
  131   HG12  VAL  17          2HG1      VAL  17  20.489  19.572   1.972
  132   HG13  VAL  17          3HG1      VAL  17  18.976  19.160   1.164
  133   HG21  VAL  17          3HG2      VAL  17  21.184  16.282   1.277
  134   HG22  VAL  17          1HG2      VAL  17  19.543  16.278   0.630
  135   HG23  VAL  17          2HG2      VAL  17  20.608  17.649   0.323
  136    H    LEU  18           H        LEU  18  19.179  16.617   5.211
  137    HA   LEU  18           HA       LEU  18  18.656  19.160   6.410
  138    HB2  LEU  18           2HB      LEU  18  17.063  18.086   7.682
  139    HB3  LEU  18           3HB      LEU  18  17.129  17.084   6.233
  140    HG   LEU  18           HG       LEU  18  18.867  15.729   7.732
  141   HD11  LEU  18          1HD1      LEU  18  17.749  15.660  10.057
  142   HD12  LEU  18          2HD1      LEU  18  17.170  17.276   9.652
  143   HD13  LEU  18          3HD1      LEU  18  18.902  16.948   9.704
  144   HD21  LEU  18          3HD2      LEU  18  15.975  15.311   8.339
  145   HD22  LEU  18          1HD2      LEU  18  17.228  14.131   7.953
  146   HD23  LEU  18          2HD2      LEU  18  16.548  15.143   6.679
  147    H    HIS  19           H        HIS  19  20.793  16.487   7.076
  148    HA   HIS  19           HA       HIS  19  21.424  17.232   9.755
  149    HB2  HIS  19           2HB      HIS  19  21.853  14.979   9.219
  150    HB3  HIS  19           3HB      HIS  19  22.707  15.402   7.739
  151    HD1  HIS  19           HD1      HIS  19  25.149  16.385   8.045
  152    HD2  HIS  19           HD2      HIS  19  23.418  14.801  11.473
  153    HE1  HIS  19           HE1      HIS  19  27.042  16.070   9.670
  154    H    LYS  20           H        LYS  20  23.223  17.542   6.692
  155    HA   LYS  20           HA       LYS  20  25.284  19.140   7.821
  156    HB2  LYS  20           2HB      LYS  20  25.795  17.903   5.849
  157    HB3  LYS  20           3HB      LYS  20  24.435  18.600   4.978
  158    HG2  LYS  20           2HG      LYS  20  26.224  20.658   5.912
  159    HG3  LYS  20           3HG      LYS  20  27.079  19.459   4.939
  160    HD2  LYS  20           2HD      LYS  20  26.350  20.735   3.223
  161    HD3  LYS  20           3HD      LYS  20  24.868  19.800   3.435
  162    HE2  LYS  20           2HE      LYS  20  23.741  21.545   4.367
  163    HE3  LYS  20           3HE      LYS  20  25.191  22.233   5.097
  164    HZ1  LYS  20           3HZ      LYS  20  25.341  23.639   3.413
  165    HZ2  LYS  20           1HZ      LYS  20  23.926  23.006   2.736
  166    HZ3  LYS  20           2HZ      LYS  20  25.431  22.365   2.304
  Start of MODEL   11
    1    H1   ASN   1           H        ASN   1   4.394  -3.994  -0.409
    2    HA   ASN   1           HA       ASN   1   2.668  -3.909  -1.991
    3    HB2  ASN   1           2HB      ASN   1   2.730  -1.813  -0.037
    4    HB3  ASN   1           3HB      ASN   1   1.988  -1.197  -1.510
    5   HD21  ASN   1          1HD2      ASN   1   1.948  -4.374   0.062
    6   HD22  ASN   1          2HD2      ASN   1   0.227  -4.486   0.174
    7    H    SER   2           H        SER   2   4.965  -1.258  -2.268
    8    HA   SER   2           HA       SER   2   4.405  -1.165  -5.152
    9    HB2  SER   2           2HB      SER   2   3.762   0.887  -3.369
   10    HB3  SER   2           3HB      SER   2   5.264   1.413  -4.127
   11    HG   SER   2           HG       SER   2   2.868   0.634  -5.434
   12    H    GLY   3           H        GLY   3   6.660   0.354  -2.835
   13    HA2  GLY   3           2HA      GLY   3   8.914  -1.087  -3.844
   14    HA3  GLY   3           3HA      GLY   3   8.857   0.551  -4.478
   15    H    LEU   4           H        LEU   4  10.889   0.871  -3.373
   16    HA   LEU   4           HA       LEU   4  10.511   2.043  -0.789
   17    HB2  LEU   4           2HB      LEU   4  11.286  -0.663  -0.880
   18    HB3  LEU   4           3HB      LEU   4  12.723   0.258  -0.442
   19    HG   LEU   4           HG       LEU   4  10.170   0.732   1.035
   20   HD11  LEU   4          1HD1      LEU   4  10.089  -1.300   1.910
   21   HD12  LEU   4          2HD1      LEU   4  11.763  -1.154   2.444
   22   HD13  LEU   4          3HD1      LEU   4  11.401  -1.810   0.848
   23   HD21  LEU   4          3HD2      LEU   4  13.031   0.707   1.974
   24   HD22  LEU   4          1HD2      LEU   4  11.625   1.383   2.797
   25   HD23  LEU   4          2HD2      LEU   4  12.231   2.138   1.323
   26    H    SER   5           H        SER   5  11.483   2.660  -3.527
   27    HA   SER   5           HA       SER   5  14.310   3.196  -3.188
   28    HB2  SER   5           2HB      SER   5  12.501   4.114  -5.431
   29    HB3  SER   5           3HB      SER   5  14.261   4.010  -5.452
   30    HG   SER   5           HG       SER   5  14.007   1.720  -5.191
   31    H    PHE   6           H        PHE   6  11.272   4.977  -3.207
   32    HA   PHE   6           HA       PHE   6  12.480   7.559  -3.047
   33    HB2  PHE   6           2HB      PHE   6   9.983   6.701  -3.656
   34    HB3  PHE   6           3HB      PHE   6   9.739   7.220  -1.992
   35    HD1  PHE   6           HD1      PHE   6  10.570   8.292  -5.388
   36    HD2  PHE   6           HD2      PHE   6   9.903   9.543  -1.374
   37    HE1  PHE   6           HE1      PHE   6  10.390  10.625  -6.148
   38    HE2  PHE   6           HE2      PHE   6   9.721  11.877  -2.129
   39    HZ   PHE   6           HZ       PHE   6   9.964  12.421  -4.518
   40    H    GLU   7           H        GLU   7  11.601   5.113  -0.753
   41    HA   GLU   7           HA       GLU   7  11.712   6.888   1.526
   42    HB2  GLU   7           2HB      GLU   7  10.780   4.228   1.004
   43    HB3  GLU   7           3HB      GLU   7  11.903   4.187   2.357
   44    HG2  GLU   7           2HG      GLU   7  10.036   6.384   2.581
   45    HG3  GLU   7           3HG      GLU   7   9.215   4.830   2.447
   46    H    GLU   8           H        GLU   8  13.868   4.839  -0.244
   47    HA   GLU   8           HA       GLU   8  15.849   4.662   1.836
   48    HB2  GLU   8           2HB      GLU   8  15.497   2.969  -0.025
   49    HB3  GLU   8           3HB      GLU   8  16.258   4.130  -1.104
   50    HG2  GLU   8           2HG      GLU   8  18.048   3.981   0.962
   51    HG3  GLU   8           3HG      GLU   8  17.446   2.328   0.850
   52    H2   MK8   9           H        MK8   9  15.203   6.779  -0.977
   53    HB   MK8   9           2HB      MK8   9  15.269   8.584  -2.387
   54    HBA  MK8   9           3HB      MK8   9  16.326   9.971  -2.160
   55    HD   MK8   9           2HD      MK8   9  18.313   9.691  -4.707
   56    HDA  MK8   9           3HD      MK8   9  18.446  10.109  -2.987
   57    HE   MK8   9           HE       MK8   9  20.080   7.997  -2.639
   58    HG   MK8   9           2HG      MK8   9  17.585   7.361  -3.185
   59    HGA  MK8   9           3HG      MK8   9  16.564   8.277  -4.291
   60    HB1  MK8   9           HBA      MK8   9  18.909   8.791  -1.183
   61   HB1A  MK8   9          HGA       MK8   9  18.791   7.891   0.011
   62   HB1B  MK8   9          HDA       MK8   9  18.695   7.318  -1.372
   63    H    TYR  10           H        TYR  10  14.691   8.299   0.394
   64    HA   TYR  10           HA       TYR  10  14.774  10.841   1.635
   65    HB2  TYR  10           2HB      TYR  10  12.665   9.682   1.169
   66    HB3  TYR  10           3HB      TYR  10  13.095   8.416   2.312
   67    HD1  TYR  10           HD1      TYR  10  12.157  11.972   1.994
   68    HD2  TYR  10           HD2      TYR  10  12.775   8.711   4.656
   69    HE1  TYR  10           HE1      TYR  10  11.090  13.254   3.802
   70    HE2  TYR  10           HE2      TYR  10  11.709   9.983   6.471
   71    HH   TYR  10           HH       TYR  10  11.149  12.180   7.097
   72    H    ARG  11           H        ARG  11  16.372   7.971   2.353
   73    HA   ARG  11           HA       ARG  11  16.889   8.888   5.105
   74    HB2  ARG  11           2HB      ARG  11  16.126   6.243   4.087
   75    HB3  ARG  11           3HB      ARG  11  17.524   6.219   5.153
   76    HG2  ARG  11           2HG      ARG  11  15.341   7.856   6.170
   77    HG3  ARG  11           3HG      ARG  11  14.900   6.163   5.937
   78    HD2  ARG  11           2HD      ARG  11  16.173   5.482   7.649
   79    HD3  ARG  11           3HD      ARG  11  17.517   6.521   7.176
   80    HE   ARG  11           HE       ARG  11  15.491   8.116   8.272
   81   HH11  ARG  11          1HH1      ARG  11  17.786   5.684   9.241
   82   HH12  ARG  11          2HH1      ARG  11  17.919   6.270  10.865
   83   HH21  ARG  11          1HH2      ARG  11  15.658   8.898  10.409
   84   HH22  ARG  11          2HH2      ARG  11  16.707   8.098  11.529
   85    H    ASN  12           H        ASN  12  18.175   8.645   2.119
   86    HA   ASN  12           HA       ASN  12  20.898   8.582   3.186
   87    HB2  ASN  12           2HB      ASN  12  19.911   6.381   1.916
   88    HB3  ASN  12           3HB      ASN  12  20.606   7.267   0.562
   89   HD21  ASN  12          1HD2      ASN  12  22.854   7.903   0.736
   90   HD22  ASN  12          2HD2      ASN  12  23.945   6.907   1.632
   91    H2   MK8  13           H        MK8  13  18.994  10.729   2.177
   92    HB   MK8  13           2HB      MK8  13  18.667  10.742  -0.824
   93    HBA  MK8  13           3HB      MK8  13  18.400  12.477  -0.926
   94    HD   MK8  13           2HD      MK8  13  22.056  10.701  -1.935
   95    HDA  MK8  13           3HD      MK8  13  20.634   9.700  -1.581
   96    HE   MK8  13           HE       MK8  13  20.446  10.879  -4.316
   97    HG   MK8  13           2HG      MK8  13  19.609  11.952  -2.949
   98    HGA  MK8  13           3HG      MK8  13  20.838  12.657  -1.901
   99    HB1  MK8  13           HBA      MK8  13  21.999  12.337   1.125
  100   HB1A  MK8  13          HGA       MK8  13  21.965  11.572  -0.165
  101   HB1B  MK8  13          HDA       MK8  13  21.660  13.040  -0.156
  102    H    TYR  14           H        TYR  14  17.679  11.882   1.527
  103    HA   TYR  14           HA       TYR  14  17.371  14.674   2.089
  104    HB2  TYR  14           2HB      TYR  14  15.628  12.599   1.677
  105    HB3  TYR  14           3HB      TYR  14  15.509  12.829   3.418
  106    HD1  TYR  14           HD1      TYR  14  15.617  14.947   0.333
  107    HD2  TYR  14           HD2      TYR  14  13.861  14.259   4.146
  108    HE1  TYR  14           HE1      TYR  14  14.101  16.849  -0.029
  109    HE2  TYR  14           HE2      TYR  14  12.339  16.159   3.794
  110    HH   TYR  14           HH       TYR  14  12.794  18.479   1.509
  111    H    THR  15           H        THR  15  18.645  11.986   3.779
  112    HA   THR  15           HA       THR  15  18.309  13.220   6.399
  113    HB   THR  15           HB       THR  15  19.603  10.605   5.604
  114    HG1  THR  15           HG1      THR  15  17.668   9.851   6.827
  115   HG21  THR  15          1HG2      THR  15  20.670  10.911   7.584
  116   HG22  THR  15          2HG2      THR  15  19.130  10.351   8.238
  117   HG23  THR  15          3HG2      THR  15  19.483  12.077   8.166
  118    H    MET  16           H        MET  16  20.656  12.935   3.894
  119    HA   MET  16           HA       MET  16  22.900  13.593   5.606
  120    HB2  MET  16           2HB      MET  16  22.951  12.116   3.486
  121    HB3  MET  16           3HB      MET  16  22.939  13.635   2.600
  122    HG2  MET  16           2HG      MET  16  25.042  14.223   3.304
  123    HG3  MET  16           3HG      MET  16  24.951  13.228   4.755
  124    HE1  MET  16           3HE      MET  16  27.687  12.370   1.768
  125    HE2  MET  16           1HE      MET  16  26.336  13.073   0.879
  126    HE3  MET  16           2HE      MET  16  26.938  13.863   2.336
  127    H    VAL  17           H        VAL  17  20.594  15.223   3.610
  128    HA   VAL  17           HA       VAL  17  22.116  17.645   3.319
  129    HB   VAL  17           HB       VAL  17  19.182  17.099   2.850
  130   HG11  VAL  17          1HG1      VAL  17  19.658  19.254   1.355
  131   HG12  VAL  17          2HG1      VAL  17  19.104  19.363   3.027
  132   HG13  VAL  17          3HG1      VAL  17  20.816  19.562   2.649
  133   HG21  VAL  17          3HG2      VAL  17  20.966  17.663   0.589
  134   HG22  VAL  17          1HG2      VAL  17  21.294  16.148   1.430
  135   HG23  VAL  17          2HG2      VAL  17  19.693  16.454   0.757
  136    H    LEU  18           H        LEU  18  19.529  16.490   5.425
  137    HA   LEU  18           HA       LEU  18  19.163  18.996   6.752
  138    HB2  LEU  18           2HB      LEU  18  17.566  17.936   8.031
  139    HB3  LEU  18           3HB      LEU  18  17.537  17.000   6.538
  140    HG   LEU  18           HG       LEU  18  19.259  15.502   7.913
  141   HD11  LEU  18          1HD1      LEU  18  17.450  16.152  10.157
  142   HD12  LEU  18          2HD1      LEU  18  18.760  17.288   9.838
  143   HD13  LEU  18          3HD1      LEU  18  19.123  15.594  10.167
  144   HD21  LEU  18          3HD2      LEU  18  16.371  15.189   8.599
  145   HD22  LEU  18          1HD2      LEU  18  17.554  13.970   8.124
  146   HD23  LEU  18          2HD2      LEU  18  16.884  15.067   6.916
  147    H    HIS  19           H        HIS  19  21.195  16.202   7.224
  148    HA   HIS  19           HA       HIS  19  21.948  16.794   9.910
  149    HB2  HIS  19           2HB      HIS  19  22.254  14.551   9.260
  150    HB3  HIS  19           3HB      HIS  19  23.078  15.003   7.771
  151    HD1  HIS  19           HD1      HIS  19  25.572  15.860   8.035
  152    HD2  HIS  19           HD2      HIS  19  23.883  14.201  11.449
  153    HE1  HIS  19           HE1      HIS  19  27.501  15.387   9.577
  154    H    LYS  20           H        LYS  20  23.656  17.165   6.802
  155    HA   LYS  20           HA       LYS  20  25.826  18.615   7.928
  156    HB2  LYS  20           2HB      LYS  20  26.214  17.447   5.887
  157    HB3  LYS  20           3HB      LYS  20  24.860  18.243   5.095
  158    HG2  LYS  20           2HG      LYS  20  26.772  20.174   6.056
  159    HG3  LYS  20           3HG      LYS  20  27.538  18.983   5.003
  160    HD2  LYS  20           2HD      LYS  20  26.815  20.366   3.370
  161    HD3  LYS  20           3HD      LYS  20  25.298  19.492   3.593
  162    HE2  LYS  20           2HE      LYS  20  24.292  21.238   4.665
  163    HE3  LYS  20           3HE      LYS  20  25.807  21.844   5.332
  164    HZ1  LYS  20           3HZ      LYS  20  25.137  23.394   3.722
  165    HZ2  LYS  20           1HZ      LYS  20  24.754  22.199   2.587
  166    HZ3  LYS  20           2HZ      LYS  20  26.370  22.505   2.981
  Start of MODEL   12
    1    H1   ASN   1           H        ASN   1   7.783  -6.832  -3.867
    2    HA   ASN   1           HA       ASN   1   9.583  -4.776  -3.975
    3    HB2  ASN   1           2HB      ASN   1  10.056  -6.196  -6.220
    4    HB3  ASN   1           3HB      ASN   1   8.812  -5.102  -6.818
    5   HD21  ASN   1          1HD2      ASN   1  12.043  -5.504  -6.447
    6   HD22  ASN   1          2HD2      ASN   1  12.552  -3.854  -6.510
    7    H    SER   2           H        SER   2   8.338  -3.137  -3.389
    8    HA   SER   2           HA       SER   2   5.739  -2.783  -4.720
    9    HB2  SER   2           2HB      SER   2   6.083  -3.540  -2.038
   10    HB3  SER   2           3HB      SER   2   5.670  -1.826  -1.990
   11    HG   SER   2           HG       SER   2   4.151  -4.002  -2.788
   12    H    GLY   3           H        GLY   3   8.217  -1.255  -2.677
   13    HA2  GLY   3           2HA      GLY   3   8.677   0.940  -4.292
   14    HA3  GLY   3           3HA      GLY   3   7.361   1.407  -3.225
   15    H    LEU   4           H        LEU   4   7.894   2.281  -1.336
   16    HA   LEU   4           HA       LEU   4   9.122   3.006   0.434
   17    HB2  LEU   4           2HB      LEU   4   9.560   0.237   0.224
   18    HB3  LEU   4           3HB      LEU   4  11.133   0.962   0.548
   19    HG   LEU   4           HG       LEU   4   9.655   2.195   2.433
   20   HD11  LEU   4          1HD1      LEU   4   7.732   0.647   1.554
   21   HD12  LEU   4          2HD1      LEU   4   7.937   0.939   3.281
   22   HD13  LEU   4          3HD1      LEU   4   8.529  -0.559   2.564
   23   HD21  LEU   4          3HD2      LEU   4  11.712   1.112   2.925
   24   HD22  LEU   4          1HD2      LEU   4  11.042  -0.476   2.547
   25   HD23  LEU   4          2HD2      LEU   4  10.491   0.397   3.978
   26    H    SER   5           H        SER   5   9.967   3.565  -2.375
   27    HA   SER   5           HA       SER   5  12.854   3.834  -2.163
   28    HB2  SER   5           2HB      SER   5  12.258   5.123  -4.461
   29    HB3  SER   5           3HB      SER   5  12.463   3.374  -4.361
   30    HG   SER   5           HG       SER   5  10.428   3.145  -4.809
   31    H    PHE   6           H        PHE   6   9.991   5.741  -1.766
   32    HA   PHE   6           HA       PHE   6  11.364   8.276  -1.892
   33    HB2  PHE   6           2HB      PHE   6   8.666   7.410  -1.981
   34    HB3  PHE   6           3HB      PHE   6   8.819   8.480  -0.592
   35    HD1  PHE   6           HD1      PHE   6   9.468   8.248  -4.233
   36    HD2  PHE   6           HD2      PHE   6   8.895  10.795  -0.871
   37    HE1  PHE   6           HE1      PHE   6   9.361  10.197  -5.732
   38    HE2  PHE   6           HE2      PHE   6   8.786  12.747  -2.364
   39    HZ   PHE   6           HZ       PHE   6   9.019  12.450  -4.798
   40    H    GLU   7           H        GLU   7  10.563   5.927   0.514
   41    HA   GLU   7           HA       GLU   7  10.985   7.747   2.731
   42    HB2  GLU   7           2HB      GLU   7   9.938   5.043   2.372
   43    HB3  GLU   7           3HB      GLU   7  10.978   5.192   3.781
   44    HG2  GLU   7           2HG      GLU   7   9.608   7.031   4.608
   45    HG3  GLU   7           3HG      GLU   7   8.571   6.899   3.189
   46    H    GLU   8           H        GLU   8  12.779   5.426   0.878
   47    HA   GLU   8           HA       GLU   8  14.918   5.179   2.795
   48    HB2  GLU   8           2HB      GLU   8  15.959   3.734   1.236
   49    HB3  GLU   8           3HB      GLU   8  14.238   3.397   1.125
   50    HG2  GLU   8           2HG      GLU   8  14.083   4.751  -0.887
   51    HG3  GLU   8           3HG      GLU   8  15.798   5.140  -0.769
   52    H2   MK8   9           H        MK8   9  14.184   7.181  -0.070
   53    HB   MK8   9           2HB      MK8   9  14.276   8.876  -1.608
   54    HBA  MK8   9           3HB      MK8   9  15.484  10.154  -1.591
   55    HD   MK8   9           2HD      MK8   9  17.141   9.515  -4.304
   56    HDA  MK8   9           3HD      MK8   9  17.503  10.016  -2.641
   57    HE   MK8   9           HE       MK8   9  18.948   7.767  -2.317
   58    HG   MK8   9           2HG      MK8   9  16.355   7.369  -2.558
   59    HGA  MK8   9           3HG      MK8   9  15.314   8.324  -3.612
   60    HB1  MK8   9           HBA      MK8   9  18.030   8.763  -0.812
   61   HB1A  MK8   9          HGA       MK8   9  17.957   7.955   0.449
   62   HB1B  MK8   9          HDA       MK8   9  17.650   7.314  -0.871
   63    H    TYR  10           H        TYR  10  13.978   8.835   1.216
   64    HA   TYR  10           HA       TYR  10  14.456  11.417   2.263
   65    HB2  TYR  10           2HB      TYR  10  12.202  10.485   2.105
   66    HB3  TYR  10           3HB      TYR  10  12.622   9.228   3.264
   67    HD1  TYR  10           HD1      TYR  10  12.611  12.958   2.993
   68    HD2  TYR  10           HD2      TYR  10  12.022   9.549   5.470
   69    HE1  TYR  10           HE1      TYR  10  11.896  14.425   4.832
   70    HE2  TYR  10           HE2      TYR  10  11.304  11.007   7.316
   71    HH   TYR  10           HH       TYR  10  11.719  14.400   7.245
   72    H    ARG  11           H        ARG  11  15.804   8.426   3.028
   73    HA   ARG  11           HA       ARG  11  16.719   9.450   5.635
   74    HB2  ARG  11           2HB      ARG  11  15.173   7.268   5.389
   75    HB3  ARG  11           3HB      ARG  11  16.748   6.523   5.153
   76    HG2  ARG  11           2HG      ARG  11  17.421   6.933   7.296
   77    HG3  ARG  11           3HG      ARG  11  16.383   8.350   7.467
   78    HD2  ARG  11           2HD      ARG  11  15.363   6.758   8.827
   79    HD3  ARG  11           3HD      ARG  11  14.434   6.679   7.330
   80    HE   ARG  11           HE       ARG  11  16.403   4.790   7.055
   81   HH11  ARG  11          1HH1      ARG  11  13.840   5.418   9.326
   82   HH12  ARG  11          2HH1      ARG  11  13.610   3.748   9.728
   83   HH21  ARG  11          1HH2      ARG  11  16.110   2.589   7.575
   84   HH22  ARG  11          2HH2      ARG  11  14.902   2.140   8.731
   85    H    ASN  12           H        ASN  12  17.642   8.904   2.561
   86    HA   ASN  12           HA       ASN  12  20.443   8.600   3.345
   87    HB2  ASN  12           2HB      ASN  12  19.095   6.451   2.335
   88    HB3  ASN  12           3HB      ASN  12  19.745   7.171   0.865
   89   HD21  ASN  12          1HD2      ASN  12  21.657   6.462   0.291
   90   HD22  ASN  12          2HD2      ASN  12  22.871   5.825   1.343
   91    H2   MK8  13           H        MK8  13  18.676  10.881   2.388
   92    HB   MK8  13           2HB      MK8  13  18.026  10.745  -0.560
   93    HBA  MK8  13           3HB      MK8  13  17.923  12.489  -0.754
   94    HD   MK8  13           2HD      MK8  13  21.250  10.278  -2.012
   95    HDA  MK8  13           3HD      MK8  13  19.783   9.457  -1.444
   96    HE   MK8  13           HE       MK8  13  19.414  10.490  -4.219
   97    HG   MK8  13           2HG      MK8  13  18.845  11.724  -2.849
   98    HGA  MK8  13           3HG      MK8  13  20.246  12.352  -1.985
   99    HB1  MK8  13           HBA      MK8  13  21.695  12.080   0.920
  100   HB1A  MK8  13          HGA       MK8  13  21.441  11.248  -0.302
  101   HB1B  MK8  13          HDA       MK8  13  21.292  12.739  -0.366
  102    H    TYR  14           H        TYR  14  17.422  12.128   1.795
  103    HA   TYR  14           HA       TYR  14  17.467  14.966   2.185
  104    HB2  TYR  14           2HB      TYR  14  15.484  13.075   2.100
  105    HB3  TYR  14           3HB      TYR  14  15.577  13.424   3.822
  106    HD1  TYR  14           HD2      TYR  14  15.575  15.323   0.596
  107    HD2  TYR  14           HD1      TYR  14  14.170  15.068   4.603
  108    HE1  TYR  14           HE2      TYR  14  14.236  17.356   0.249
  109    HE2  TYR  14           HE1      TYR  14  12.825  17.100   4.268
  110    HH   TYR  14           HH       TYR  14  13.268  19.202   1.751
  111    H    THR  15           H        THR  15  18.631  12.259   3.921
  112    HA   THR  15           HA       THR  15  18.709  13.674   6.469
  113    HB   THR  15           HB       THR  15  19.634  10.891   5.733
  114    HG1  THR  15           HG1      THR  15  17.319  11.935   7.001
  115   HG21  THR  15          1HG2      THR  15  19.690  12.412   8.323
  116   HG22  THR  15          2HG2      THR  15  20.983  11.493   7.553
  117   HG23  THR  15          3HG2      THR  15  19.621  10.650   8.291
  118    H    MET  16           H        MET  16  20.730  12.988   3.766
  119    HA   MET  16           HA       MET  16  23.201  13.494   5.193
  120    HB2  MET  16           2HB      MET  16  22.869  11.900   3.185
  121    HB3  MET  16           3HB      MET  16  22.921  13.358   2.203
  122    HG2  MET  16           2HG      MET  16  25.111  13.167   4.119
  123    HG3  MET  16           3HG      MET  16  25.075  11.851   2.947
  124    HE1  MET  16           3HE      MET  16  26.211  11.863   1.011
  125    HE2  MET  16           1HE      MET  16  24.919  12.579   0.047
  126    HE3  MET  16           2HE      MET  16  26.564  13.200  -0.085
  127    H    VAL  17           H        VAL  17  20.873  15.248   3.331
  128    HA   VAL  17           HA       VAL  17  22.596  17.468   2.720
  129    HB   VAL  17           HB       VAL  17  19.587  17.221   2.592
  130   HG11  VAL  17          1HG1      VAL  17  19.730  19.478   2.586
  131   HG12  VAL  17          2HG1      VAL  17  21.426  19.480   2.096
  132   HG13  VAL  17          3HG1      VAL  17  20.159  19.219   0.896
  133   HG21  VAL  17          3HG2      VAL  17  21.396  15.941   1.040
  134   HG22  VAL  17          1HG2      VAL  17  19.793  16.432   0.492
  135   HG23  VAL  17          2HG2      VAL  17  21.194  17.442   0.136
  136    H    LEU  18           H        LEU  18  20.146  16.729   5.152
  137    HA   LEU  18           HA       LEU  18  20.187  19.332   6.333
  138    HB2  LEU  18           2HB      LEU  18  18.638  18.531   7.839
  139    HB3  LEU  18           3HB      LEU  18  18.350  17.519   6.425
  140    HG   LEU  18           HG       LEU  18  20.048  15.923   7.717
  141   HD11  LEU  18          1HD1      LEU  18  20.542  16.728   9.738
  142   HD12  LEU  18          2HD1      LEU  18  18.900  16.267  10.185
  143   HD13  LEU  18          3HD1      LEU  18  19.244  17.921   9.679
  144   HD21  LEU  18          3HD2      LEU  18  18.228  14.602   8.207
  145   HD22  LEU  18          1HD2      LEU  18  17.548  15.694   7.001
  146   HD23  LEU  18          2HD2      LEU  18  17.235  15.969   8.715
  147    H    HIS  19           H        HIS  19  21.959  16.365   6.790
  148    HA   HIS  19           HA       HIS  19  23.058  17.030   9.336
  149    HB2  HIS  19           2HB      HIS  19  23.057  14.731   8.821
  150    HB3  HIS  19           3HB      HIS  19  23.755  14.999   7.226
  151    HD1  HIS  19           HD1      HIS  19  26.338  15.589   7.172
  152    HD2  HIS  19           HD2      HIS  19  24.870  14.335  10.850
  153    HE1  HIS  19           HE1      HIS  19  28.365  14.999   8.538
  154    H    LYS  20           H        LYS  20  24.437  17.032   6.048
  155    HA   LYS  20           HA       LYS  20  26.855  18.303   6.848
  156    HB2  LYS  20           2HB      LYS  20  26.865  16.945   4.869
  157    HB3  LYS  20           3HB      LYS  20  25.574  17.894   4.144
  158    HG2  LYS  20           2HG      LYS  20  27.744  19.629   4.782
  159    HG3  LYS  20           3HG      LYS  20  28.358  18.240   3.883
  160    HD2  LYS  20           2HD      LYS  20  27.774  19.781   2.224
  161    HD3  LYS  20           3HD      LYS  20  26.406  18.667   2.273
  162    HE2  LYS  20           2HE      LYS  20  25.649  20.982   2.152
  163    HE3  LYS  20           3HE      LYS  20  25.172  20.238   3.678
  164    HZ1  LYS  20           3HZ      LYS  20  27.675  21.428   4.035
  165    HZ2  LYS  20           1HZ      LYS  20  26.201  21.862   4.743
  166    HZ3  LYS  20           2HZ      LYS  20  26.676  22.565   3.280
  Start of MODEL   13
    1    H1   ASN   1           H        ASN   1  10.266  -3.243  -8.323
    2    HA   ASN   1           HA       ASN   1   8.452  -1.916  -7.881
    3    HB2  ASN   1           2HB      ASN   1   6.274  -3.062  -8.352
    4    HB3  ASN   1           3HB      ASN   1   7.503  -3.328  -9.585
    5   HD21  ASN   1          1HD2      ASN   1   6.822  -5.245 -10.360
    6   HD22  ASN   1          2HD2      ASN   1   6.750  -6.700  -9.431
    7    H    SER   2           H        SER   2   9.635  -2.563  -5.519
    8    HA   SER   2           HA       SER   2   7.493  -3.422  -3.714
    9    HB2  SER   2           2HB      SER   2  10.377  -3.634  -3.691
   10    HB3  SER   2           3HB      SER   2   9.799  -2.873  -2.208
   11    HG   SER   2           HG       SER   2   9.465  -4.887  -1.659
   12    H    GLY   3           H        GLY   3   9.417  -0.648  -4.603
   13    HA2  GLY   3           2HA      GLY   3   8.816   1.588  -4.259
   14    HA3  GLY   3           3HA      GLY   3   7.621   1.063  -3.082
   15    H    LEU   4           H        LEU   4   8.173   2.412  -1.427
   16    HA   LEU   4           HA       LEU   4   9.303   3.172   0.394
   17    HB2  LEU   4           2HB      LEU   4  11.108   0.792   0.052
   18    HB3  LEU   4           3HB      LEU   4  10.755   1.678   1.534
   19    HG   LEU   4           HG       LEU   4   8.286   0.710   0.645
   20   HD11  LEU   4          1HD1      LEU   4   8.531  -1.546   0.144
   21   HD12  LEU   4          2HD1      LEU   4  10.207  -1.588   0.691
   22   HD13  LEU   4          3HD1      LEU   4   9.793  -0.775  -0.818
   23   HD21  LEU   4          3HD2      LEU   4   9.872  -0.759   2.691
   24   HD22  LEU   4          1HD2      LEU   4   8.193  -0.220   2.733
   25   HD23  LEU   4          2HD2      LEU   4   9.498   0.942   2.971
   26    H    SER   5           H        SER   5  10.196   3.831  -2.372
   27    HA   SER   5           HA       SER   5  13.058   4.232  -2.092
   28    HB2  SER   5           2HB      SER   5  13.088   4.768  -4.349
   29    HB3  SER   5           3HB      SER   5  11.707   3.674  -4.276
   30    HG   SER   5           HG       SER   5  11.770   6.235  -5.039
   31    H    PHE   6           H        PHE   6  10.130   5.957  -1.561
   32    HA   PHE   6           HA       PHE   6  11.349   8.575  -1.645
   33    HB2  PHE   6           2HB      PHE   6   9.120   9.334  -0.789
   34    HB3  PHE   6           3HB      PHE   6   9.038   8.427  -2.296
   35    HD1  PHE   6           HD1      PHE   6   8.475   8.237   1.344
   36    HD2  PHE   6           HD2      PHE   6   7.845   6.395  -2.441
   37    HE1  PHE   6           HE1      PHE   6   6.856   6.694   2.369
   38    HE2  PHE   6           HE2      PHE   6   6.224   4.849  -1.423
   39    HZ   PHE   6           HZ       PHE   6   5.727   4.998   0.985
   40    H    GLU   7           H        GLU   7  10.616   6.136   0.727
   41    HA   GLU   7           HA       GLU   7  11.086   7.906   2.971
   42    HB2  GLU   7           2HB      GLU   7   9.428   6.042   3.063
   43    HB3  GLU   7           3HB      GLU   7  10.762   4.902   2.955
   44    HG2  GLU   7           2HG      GLU   7  11.599   5.524   5.067
   45    HG3  GLU   7           3HG      GLU   7  10.572   6.955   5.135
   46    H    GLU   8           H        GLU   8  12.868   5.684   1.006
   47    HA   GLU   8           HA       GLU   8  15.047   5.401   2.883
   48    HB2  GLU   8           2HB      GLU   8  16.062   3.987   1.279
   49    HB3  GLU   8           3HB      GLU   8  14.341   3.638   1.203
   50    HG2  GLU   8           2HG      GLU   8  14.705   3.801  -1.008
   51    HG3  GLU   8           3HG      GLU   8  14.480   5.520  -0.689
   52    H2   MK8   9           H        MK8   9  14.226   7.444   0.074
   53    HB   MK8   9           2HB      MK8   9  14.271   9.161  -1.443
   54    HBA  MK8   9           3HB      MK8   9  15.469  10.448  -1.435
   55    HD   MK8   9           2HD      MK8   9  17.066   9.861  -4.196
   56    HDA  MK8   9           3HD      MK8   9  17.463  10.342  -2.535
   57    HE   MK8   9           HE       MK8   9  18.932   8.100  -2.277
   58    HG   MK8   9           2HG      MK8   9  16.337   7.685  -2.463
   59    HGA  MK8   9           3HG      MK8   9  15.265   8.646  -3.479
   60    HB1  MK8   9           HBA      MK8   9  18.042   9.066  -0.738
   61   HB1A  MK8   9          HGA       MK8   9  18.007   8.241   0.514
   62   HB1B  MK8   9          HDA       MK8   9  17.673   7.614  -0.807
   63    H    TYR  10           H        TYR  10  14.037   9.078   1.383
   64    HA   TYR  10           HA       TYR  10  14.520  11.647   2.459
   65    HB2  TYR  10           2HB      TYR  10  12.270  10.703   2.339
   66    HB3  TYR  10           3HB      TYR  10  12.725   9.428   3.465
   67    HD1  TYR  10           HD1      TYR  10  12.190  13.078   3.148
   68    HD2  TYR  10           HD2      TYR  10  12.668   9.788   5.804
   69    HE1  TYR  10           HE1      TYR  10  11.507  14.506   5.030
   70    HE2  TYR  10           HE2      TYR  10  11.984  11.207   7.693
   71    HH   TYR  10           HH       TYR  10  10.749  14.439   7.212
   72    H    ARG  11           H        ARG  11  15.904   8.654   3.150
   73    HA   ARG  11           HA       ARG  11  16.872   9.648   5.749
   74    HB2  ARG  11           2HB      ARG  11  15.725   7.056   5.002
   75    HB3  ARG  11           3HB      ARG  11  17.252   6.928   5.864
   76    HG2  ARG  11           2HG      ARG  11  16.220   8.511   7.578
   77    HG3  ARG  11           3HG      ARG  11  14.681   8.159   6.789
   78    HD2  ARG  11           2HD      ARG  11  16.466   5.924   7.658
   79    HD3  ARG  11           3HD      ARG  11  15.444   6.745   8.837
   80    HE   ARG  11           HE       ARG  11  13.745   6.115   6.804
   81   HH11  ARG  11          1HH1      ARG  11  15.957   4.309   8.794
   82   HH12  ARG  11          2HH1      ARG  11  15.029   2.847   8.726
   83   HH21  ARG  11          1HH2      ARG  11  12.515   4.197   6.706
   84   HH22  ARG  11          2HH2      ARG  11  13.072   2.784   7.537
   85    H    ASN  12           H        ASN  12  17.729   9.156   2.648
   86    HA   ASN  12           HA       ASN  12  20.550   8.860   3.363
   87    HB2  ASN  12           2HB      ASN  12  19.193   6.716   2.351
   88    HB3  ASN  12           3HB      ASN  12  19.807   7.462   0.879
   89   HD21  ASN  12          1HD2      ASN  12  20.468   4.982   2.527
   90   HD22  ASN  12          2HD2      ASN  12  22.189   5.033   2.664
   91    H2   MK8  13           H        MK8  13  18.745  11.142   2.481
   92    HB   MK8  13           2HB      MK8  13  18.030  11.043  -0.454
   93    HBA  MK8  13           3HB      MK8  13  17.908  12.789  -0.619
   94    HD   MK8  13           2HD      MK8  13  21.222  10.625  -1.987
   95    HDA  MK8  13           3HD      MK8  13  19.775   9.783  -1.398
   96    HE   MK8  13           HE       MK8  13  19.332  10.855  -4.147
   97    HG   MK8  13           2HG      MK8  13  18.787  12.064  -2.746
   98    HGA  MK8  13           3HG      MK8  13  20.203  12.690  -1.905
   99    HB1  MK8  13           HBA      MK8  13  21.721  12.385   0.961
  100   HB1A  MK8  13          HGA       MK8  13  21.445  11.568  -0.266
  101   HB1B  MK8  13          HDA       MK8  13  21.283  13.059  -0.305
  102    H    TYR  14           H        TYR  14  17.469  12.388   1.934
  103    HA   TYR  14           HA       TYR  14  17.503  15.220   2.366
  104    HB2  TYR  14           2HB      TYR  14  15.532  13.316   2.297
  105    HB3  TYR  14           3HB      TYR  14  15.661  13.642   4.022
  106    HD1  TYR  14           HD2      TYR  14  15.573  15.584   0.823
  107    HD2  TYR  14           HD1      TYR  14  14.261  15.265   4.858
  108    HE1  TYR  14           HE2      TYR  14  14.212  17.613   0.535
  109    HE2  TYR  14           HE1      TYR  14  12.896  17.292   4.581
  110    HH   TYR  14           HH       TYR  14  11.934  18.655   2.948
  111    H    THR  15           H        THR  15  18.725  12.497   4.034
  112    HA   THR  15           HA       THR  15  18.853  13.877   6.600
  113    HB   THR  15           HB       THR  15  19.775  11.108   5.808
  114    HG1  THR  15           HG1      THR  15  17.935  10.718   7.418
  115   HG21  THR  15          1HG2      THR  15  19.997  12.662   8.346
  116   HG22  THR  15          2HG2      THR  15  21.139  11.537   7.611
  117   HG23  THR  15          3HG2      THR  15  19.703  10.925   8.431
  118    H    MET  16           H        MET  16  20.811  13.245   3.841
  119    HA   MET  16           HA       MET  16  23.313  13.740   5.219
  120    HB2  MET  16           2HB      MET  16  22.944  12.168   3.201
  121    HB3  MET  16           3HB      MET  16  22.966  13.637   2.235
  122    HG2  MET  16           2HG      MET  16  25.203  13.624   4.017
  123    HG3  MET  16           3HG      MET  16  25.147  12.112   3.115
  124    HE1  MET  16           3HE      MET  16  26.169  11.719   1.323
  125    HE2  MET  16           1HE      MET  16  25.239  12.357  -0.033
  126    HE3  MET  16           2HE      MET  16  26.931  12.812   0.166
  127    H    VAL  17           H        VAL  17  20.935  15.506   3.437
  128    HA   VAL  17           HA       VAL  17  22.635  17.741   2.814
  129    HB   VAL  17           HB       VAL  17  19.626  17.479   2.741
  130   HG11  VAL  17          1HG1      VAL  17  21.465  19.712   1.945
  131   HG12  VAL  17          2HG1      VAL  17  19.882  19.508   1.193
  132   HG13  VAL  17          3HG1      VAL  17  20.004  19.777   2.932
  133   HG21  VAL  17          3HG2      VAL  17  21.489  16.294   1.114
  134   HG22  VAL  17          1HG2      VAL  17  19.814  16.634   0.677
  135   HG23  VAL  17          2HG2      VAL  17  21.090  17.767   0.231
  136    H    LEU  18           H        LEU  18  20.244  16.956   5.288
  137    HA   LEU  18           HA       LEU  18  20.285  19.545   6.498
  138    HB2  LEU  18           2HB      LEU  18  18.783  18.708   8.033
  139    HB3  LEU  18           3HB      LEU  18  18.473  17.709   6.614
  140    HG   LEU  18           HG       LEU  18  20.216  16.115   7.841
  141   HD11  LEU  18          1HD1      LEU  18  19.290  18.017   9.903
  142   HD12  LEU  18          2HD1      LEU  18  20.780  17.079   9.806
  143   HD13  LEU  18          3HD1      LEU  18  19.287  16.308  10.340
  144   HD21  LEU  18          3HD2      LEU  18  17.433  16.127   8.920
  145   HD22  LEU  18          1HD2      LEU  18  18.422  14.774   8.372
  146   HD23  LEU  18          2HD2      LEU  18  17.699  15.871   7.194
  147    H    HIS  19           H        HIS  19  22.086  16.582   6.900
  148    HA   HIS  19           HA       HIS  19  23.235  17.212   9.422
  149    HB2  HIS  19           2HB      HIS  19  23.293  14.933   8.848
  150    HB3  HIS  19           3HB      HIS  19  23.930  15.263   7.239
  151    HD1  HIS  19           HD1      HIS  19  26.492  15.922   7.112
  152    HD2  HIS  19           HD2      HIS  19  25.186  14.537  10.805
  153    HE1  HIS  19           HE1      HIS  19  28.580  15.354   8.394
  154    H    LYS  20           H        LYS  20  24.614  17.284   6.132
  155    HA   LYS  20           HA       LYS  20  27.015  18.555   6.875
  156    HB2  LYS  20           2HB      LYS  20  26.964  17.408   4.795
  157    HB3  LYS  20           3HB      LYS  20  25.564  18.318   4.244
  158    HG2  LYS  20           2HG      LYS  20  26.969  20.361   4.211
  159    HG3  LYS  20           3HG      LYS  20  28.363  19.359   4.620
  160    HD2  LYS  20           2HD      LYS  20  28.288  19.749   2.227
  161    HD3  LYS  20           3HD      LYS  20  27.991  18.043   2.571
  162    HE2  LYS  20           2HE      LYS  20  26.041  18.141   1.513
  163    HE3  LYS  20           3HE      LYS  20  25.502  19.444   2.571
  164    HZ1  LYS  20           3HZ      LYS  20  27.346  20.343   0.576
  165    HZ2  LYS  20           1HZ      LYS  20  25.812  20.938   0.972
  166    HZ3  LYS  20           2HZ      LYS  20  25.965  19.643  -0.105
  Start of MODEL   14
    1    H1   ASN   1           H        ASN   1   9.539  -6.203  -5.813
    2    HA   ASN   1           HA       ASN   1  10.804  -3.835  -4.733
    3    HB2  ASN   1           2HB      ASN   1  11.782  -4.664  -7.122
    4    HB3  ASN   1           3HB      ASN   1  10.442  -3.658  -7.663
    5   HD21  ASN   1          1HD2      ASN   1  10.553  -1.473  -7.439
    6   HD22  ASN   1          2HD2      ASN   1  11.964  -0.641  -6.891
    7    H    SER   2           H        SER   2   9.027  -2.994  -3.830
    8    HA   SER   2           HA       SER   2   6.629  -2.705  -5.520
    9    HB2  SER   2           2HB      SER   2   6.705  -4.091  -3.210
   10    HB3  SER   2           3HB      SER   2   6.347  -2.486  -2.574
   11    HG   SER   2           HG       SER   2   4.376  -2.848  -3.171
   12    H    GLY   3           H        GLY   3   8.319  -1.196  -2.763
   13    HA2  GLY   3           2HA      GLY   3   8.286   1.381  -3.992
   14    HA3  GLY   3           3HA      GLY   3   7.054   1.253  -2.746
   15    H    LEU   4           H        LEU   4   7.768   2.350  -1.038
   16    HA   LEU   4           HA       LEU   4   9.067   3.030   0.699
   17    HB2  LEU   4           2HB      LEU   4  10.611   0.492   0.200
   18    HB3  LEU   4           3HB      LEU   4  10.567   1.430   1.691
   19    HG   LEU   4           HG       LEU   4   7.908   0.751   1.190
   20   HD11  LEU   4          1HD1      LEU   4   9.790  -1.454   0.438
   21   HD12  LEU   4          2HD1      LEU   4   8.319  -0.919  -0.374
   22   HD13  LEU   4          3HD1      LEU   4   8.214  -1.801   1.149
   23   HD21  LEU   4          3HD2      LEU   4  10.019  -0.279   3.062
   24   HD22  LEU   4          1HD2      LEU   4   8.347  -0.837   3.134
   25   HD23  LEU   4          2HD2      LEU   4   8.719   0.869   3.389
   26    H    SER   5           H        SER   5   9.836   3.594  -2.147
   27    HA   SER   5           HA       SER   5  12.729   3.853  -1.999
   28    HB2  SER   5           2HB      SER   5  10.832   4.761  -4.177
   29    HB3  SER   5           3HB      SER   5  12.589   4.661  -4.293
   30    HG   SER   5           HG       SER   5  10.720   2.550  -4.071
   31    H    PHE   6           H        PHE   6   9.851   5.843  -1.809
   32    HA   PHE   6           HA       PHE   6  11.217   8.346  -1.914
   33    HB2  PHE   6           2HB      PHE   6   8.447   7.433  -1.343
   34    HB3  PHE   6           3HB      PHE   6   8.913   9.010  -0.714
   35    HD1  PHE   6           HD2      PHE   6   8.664   6.999  -3.809
   36    HD2  PHE   6           HD1      PHE   6   9.018  10.886  -2.112
   37    HE1  PHE   6           HE2      PHE   6   8.244   7.998  -6.018
   38    HE2  PHE   6           HE1      PHE   6   8.598  11.891  -4.319
   39    HZ   PHE   6           HZ       PHE   6   8.211  10.447  -6.275
   40    H    GLU   7           H        GLU   7  10.139   6.208   0.669
   41    HA   GLU   7           HA       GLU   7  10.764   8.017   2.786
   42    HB2  GLU   7           2HB      GLU   7  10.263   6.225   4.266
   43    HB3  GLU   7           3HB      GLU   7   9.136   6.095   2.924
   44    HG2  GLU   7           2HG      GLU   7   9.730   3.943   2.928
   45    HG3  GLU   7           3HG      GLU   7  11.149   4.512   2.052
   46    H    GLU   8           H        GLU   8  12.562   5.729   0.915
   47    HA   GLU   8           HA       GLU   8  14.742   5.508   2.785
   48    HB2  GLU   8           2HB      GLU   8  13.900   4.139   0.454
   49    HB3  GLU   8           3HB      GLU   8  15.505   4.776   0.120
   50    HG2  GLU   8           2HG      GLU   8  15.449   3.615   2.736
   51    HG3  GLU   8           3HG      GLU   8  14.829   2.465   1.552
   52    H2   MK8   9           H        MK8   9  13.931   7.515  -0.060
   53    HB   MK8   9           2HB      MK8   9  14.061   9.149  -1.703
   54    HBA  MK8   9           3HB      MK8   9  15.256  10.439  -1.703
   55    HD   MK8   9           2HD      MK8   9  17.011   9.651  -4.312
   56    HDA  MK8   9           3HD      MK8   9  17.291  10.292  -2.681
   57    HE   MK8   9           HE       MK8   9  18.695   7.993  -2.143
   58    HG   MK8   9           2HG      MK8   9  16.228   7.621  -2.431
   59    HGA  MK8   9           3HG      MK8   9  15.200   8.452  -3.597
   60    HB1  MK8   9           HBA      MK8   9  17.749   9.202  -0.738
   61   HB1A  MK8   9          HGA       MK8   9  17.660   8.578   0.623
   62   HB1B  MK8   9          HDA       MK8   9  17.465   7.736  -0.603
   63    H    TYR  10           H        TYR  10  13.902   8.810   1.509
   64    HA   TYR  10           HA       TYR  10  14.112  11.557   2.422
   65    HB2  TYR  10           2HB      TYR  10  11.891  10.569   2.091
   66    HB3  TYR  10           3HB      TYR  10  12.255   9.330   3.287
   67    HD1  TYR  10           HD1      TYR  10  12.443  13.066   3.101
   68    HD2  TYR  10           HD2      TYR  10  11.238   9.644   5.324
   69    HE1  TYR  10           HE1      TYR  10  11.571  14.532   4.874
   70    HE2  TYR  10           HE2      TYR  10  10.362  11.100   7.102
   71    HH   TYR  10           HH       TYR  10   9.895  14.419   6.697
   72    H    ARG  11           H        ARG  11  15.573   8.658   3.170
   73    HA   ARG  11           HA       ARG  11  16.298   9.646   5.844
   74    HB2  ARG  11           2HB      ARG  11  15.037   7.132   5.138
   75    HB3  ARG  11           3HB      ARG  11  16.577   6.868   5.947
   76    HG2  ARG  11           2HG      ARG  11  15.643   8.624   7.646
   77    HG3  ARG  11           3HG      ARG  11  14.087   8.133   6.975
   78    HD2  ARG  11           2HD      ARG  11  15.354   5.734   7.404
   79    HD3  ARG  11           3HD      ARG  11  15.892   6.709   8.770
   80    HE   ARG  11           HE       ARG  11  13.070   6.878   8.351
   81   HH11  ARG  11          1HH1      ARG  11  15.603   4.942   9.750
   82   HH12  ARG  11          2HH1      ARG  11  14.567   4.203  10.926
   83   HH21  ARG  11          1HH2      ARG  11  11.696   5.912   9.894
   84   HH22  ARG  11          2HH2      ARG  11  12.345   4.755  11.006
   85    H    ASN  12           H        ASN  12  17.353   9.025   2.824
   86    HA   ASN  12           HA       ASN  12  20.077   8.411   3.763
   87    HB2  ASN  12           2HB      ASN  12  18.648   6.688   2.259
   88    HB3  ASN  12           3HB      ASN  12  19.367   7.666   0.983
   89   HD21  ASN  12          1HD2      ASN  12  21.583   7.635   0.680
   90   HD22  ASN  12          2HD2      ASN  12  22.596   6.429   1.391
   91    H2   MK8  13           H        MK8  13  17.977  10.278   1.564
   92    HB   MK8  13           2HB      MK8  13  17.681  11.200  -0.567
   93    HBA  MK8  13           3HB      MK8  13  18.010  12.927  -0.581
   94    HD   MK8  13           2HD      MK8  13  21.101  10.458  -1.817
   95    HDA  MK8  13           3HD      MK8  13  19.618   9.687  -1.220
   96    HE   MK8  13           HE       MK8  13  19.320  10.604  -4.047
   97    HG   MK8  13           2HG      MK8  13  18.724  11.895  -2.746
   98    HGA  MK8  13           3HG      MK8  13  20.127  12.544  -1.900
   99    HB1  MK8  13           HBA      MK8  13  21.505  12.020   1.117
  100   HB1A  MK8  13          HGA       MK8  13  21.277  10.964   0.077
  101   HB1B  MK8  13          HDA       MK8  13  21.188  12.414  -0.295
  102    H    TYR  14           H        TYR  14  17.351  11.981   2.119
  103    HA   TYR  14           HA       TYR  14  17.359  14.701   2.825
  104    HB2  TYR  14           2HB      TYR  14  15.679  12.459   3.240
  105    HB3  TYR  14           3HB      TYR  14  16.007  13.151   4.825
  106    HD1  TYR  14           HD1      TYR  14  14.775  13.995   1.423
  107    HD2  TYR  14           HD2      TYR  14  14.902  15.099   5.530
  108    HE1  TYR  14           HE1      TYR  14  13.093  15.739   1.000
  109    HE2  TYR  14           HE2      TYR  14  13.219  16.845   5.119
  110    HH   TYR  14           HH       TYR  14  11.344  16.983   2.380
  111    H    THR  15           H        THR  15  18.822  11.892   4.297
  112    HA   THR  15           HA       THR  15  19.439  13.169   6.787
  113    HB   THR  15           HB       THR  15  19.219  10.665   6.437
  114    HG1  THR  15           HG1      THR  15  21.393  11.895   7.766
  115   HG21  THR  15          1HG2      THR  15  20.770  10.742   4.395
  116   HG22  THR  15          2HG2      THR  15  20.993   9.417   5.538
  117   HG23  THR  15          3HG2      THR  15  22.091  10.797   5.562
  118    H    MET  16           H        MET  16  21.076  12.706   3.719
  119    HA   MET  16           HA       MET  16  23.632  13.598   4.654
  120    HB2  MET  16           2HB      MET  16  23.096  12.113   2.606
  121    HB3  MET  16           3HB      MET  16  22.763  13.627   1.777
  122    HG2  MET  16           2HG      MET  16  24.929  13.517   1.234
  123    HG3  MET  16           3HG      MET  16  25.168  14.187   2.846
  124    HE1  MET  16           3HE      MET  16  27.633  12.011   4.221
  125    HE2  MET  16           1HE      MET  16  27.958  12.815   2.685
  126    HE3  MET  16           2HE      MET  16  26.947  13.604   3.896
  127    H    VAL  17           H        VAL  17  20.763  15.120   3.475
  128    HA   VAL  17           HA       VAL  17  22.002  17.594   2.716
  129    HB   VAL  17           HB       VAL  17  19.101  16.971   3.286
  130   HG11  VAL  17          1HG1      VAL  17  19.483  19.333   3.524
  131   HG12  VAL  17          2HG1      VAL  17  20.395  19.379   2.014
  132   HG13  VAL  17          3HG1      VAL  17  18.664  19.042   1.990
  133   HG21  VAL  17          3HG2      VAL  17  20.712  16.117   1.188
  134   HG22  VAL  17          1HG2      VAL  17  18.949  16.118   1.235
  135   HG23  VAL  17          2HG2      VAL  17  19.813  17.484   0.530
  136    H    LEU  18           H        LEU  18  20.294  16.386   5.564
  137    HA   LEU  18           HA       LEU  18  20.338  18.893   6.940
  138    HB2  LEU  18           2HB      LEU  18  19.273  17.810   8.674
  139    HB3  LEU  18           3HB      LEU  18  18.770  16.868   7.272
  140    HG   LEU  18           HG       LEU  18  20.878  15.408   7.999
  141   HD11  LEU  18          1HD1      LEU  18  21.732  16.028   9.952
  142   HD12  LEU  18          2HD1      LEU  18  20.222  15.508  10.700
  143   HD13  LEU  18          3HD1      LEU  18  20.435  17.192  10.223
  144   HD21  LEU  18          3HD2      LEU  18  18.270  15.156   9.475
  145   HD22  LEU  18          1HD2      LEU  18  19.363  13.873   8.955
  146   HD23  LEU  18          2HD2      LEU  18  18.437  14.780   7.759
  147    H    HIS  19           H        HIS  19  22.466  16.141   6.710
  148    HA   HIS  19           HA       HIS  19  24.056  16.786   8.995
  149    HB2  HIS  19           2HB      HIS  19  24.150  14.529   8.330
  150    HB3  HIS  19           3HB      HIS  19  24.426  14.947   6.642
  151    HD1  HIS  19           HD1      HIS  19  26.855  15.815   6.038
  152    HD2  HIS  19           HD2      HIS  19  26.420  14.236   9.856
  153    HE1  HIS  19           HE1      HIS  19  29.193  15.383   6.858
  154    H    LYS  20           H        LYS  20  24.623  17.091   5.488
  155    HA   LYS  20           HA       LYS  20  27.029  18.578   5.802
  156    HB2  LYS  20           2HB      LYS  20  26.690  17.320   3.782
  157    HB3  LYS  20           3HB      LYS  20  25.192  18.177   3.438
  158    HG2  LYS  20           2HG      LYS  20  27.281  20.089   3.691
  159    HG3  LYS  20           3HG      LYS  20  27.814  18.809   2.598
  160    HD2  LYS  20           2HD      LYS  20  26.727  20.122   1.090
  161    HD3  LYS  20           3HD      LYS  20  25.357  19.151   1.636
  162    HE2  LYS  20           2HE      LYS  20  24.761  21.503   1.589
  163    HE3  LYS  20           3HE      LYS  20  24.772  20.907   3.248
  164    HZ1  LYS  20           3HZ      LYS  20  26.655  22.091   3.757
  165    HZ2  LYS  20           1HZ      LYS  20  25.902  23.150   2.673
  166    HZ3  LYS  20           2HZ      LYS  20  27.186  22.179   2.153
  Start of MODEL   15
    1    H1   ASN   1           H        ASN   1   4.305  -3.102  -2.279
    2    HA   ASN   1           HA       ASN   1   5.562  -3.328  -4.816
    3    HB2  ASN   1           2HB      ASN   1   3.513  -2.330  -6.054
    4    HB3  ASN   1           3HB      ASN   1   3.555  -4.067  -5.761
    5   HD21  ASN   1          1HD2      ASN   1   1.395  -4.421  -5.735
    6   HD22  ASN   1          2HD2      ASN   1   0.329  -3.778  -4.537
    7    H    SER   2           H        SER   2   6.061  -1.840  -2.518
    8    HA   SER   2           HA       SER   2   5.195   0.887  -3.108
    9    HB2  SER   2           2HB      SER   2   5.719  -0.486  -0.724
   10    HB3  SER   2           3HB      SER   2   7.055   0.653  -0.895
   11    HG   SER   2           HG       SER   2   5.517   2.317  -1.121
   12    H    GLY   3           H        GLY   3   8.167  -1.025  -2.812
   13    HA2  GLY   3           2HA      GLY   3   9.982  -0.701  -4.351
   14    HA3  GLY   3           3HA      GLY   3   9.512   0.986  -4.490
   15    H    LEU   4           H        LEU   4   9.165   1.130  -1.514
   16    HA   LEU   4           HA       LEU   4  10.434   2.067   0.148
   17    HB2  LEU   4           2HB      LEU   4  11.854   0.530   1.224
   18    HB3  LEU   4           3HB      LEU   4  10.589  -0.427   0.456
   19    HG   LEU   4           HG       LEU   4  13.054  -0.083  -1.123
   20   HD11  LEU   4          1HD1      LEU   4  13.010  -1.598   1.475
   21   HD12  LEU   4          2HD1      LEU   4  14.139  -0.342   0.968
   22   HD13  LEU   4          3HD1      LEU   4  14.166  -1.920   0.182
   23   HD21  LEU   4          3HD2      LEU   4  12.289  -1.929  -2.110
   24   HD22  LEU   4          1HD2      LEU   4  10.811  -1.690  -1.177
   25   HD23  LEU   4          2HD2      LEU   4  12.074  -2.761  -0.569
   26    H    SER   5           H        SER   5  11.121   3.012  -2.475
   27    HA   SER   5           HA       SER   5  14.029   3.374  -2.280
   28    HB2  SER   5           2HB      SER   5  13.898   4.187  -4.606
   29    HB3  SER   5           3HB      SER   5  13.221   2.566  -4.448
   30    HG   SER   5           HG       SER   5  11.915   5.012  -4.885
   31    H    PHE   6           H        PHE   6  10.971   5.083  -2.305
   32    HA   PHE   6           HA       PHE   6  12.100   7.703  -2.404
   33    HB2  PHE   6           2HB      PHE   6   9.371   6.641  -1.694
   34    HB3  PHE   6           3HB      PHE   6   9.761   8.353  -1.562
   35    HD1  PHE   6           HD2      PHE   6  11.239   9.051  -3.848
   36    HD2  PHE   6           HD1      PHE   6   8.083   6.213  -3.533
   37    HE1  PHE   6           HE2      PHE   6  10.737   9.349  -6.238
   38    HE2  PHE   6           HE1      PHE   6   7.576   6.505  -5.922
   39    HZ   PHE   6           HZ       PHE   6   8.903   8.076  -7.278
   40    H    GLU   7           H        GLU   7  11.029   5.552   0.180
   41    HA   GLU   7           HA       GLU   7  11.385   7.458   2.271
   42    HB2  GLU   7           2HB      GLU   7   9.936   5.350   2.311
   43    HB3  GLU   7           3HB      GLU   7  11.427   4.464   2.604
   44    HG2  GLU   7           2HG      GLU   7  11.714   5.373   4.704
   45    HG3  GLU   7           3HG      GLU   7  10.701   6.772   4.351
   46    H    GLU   8           H        GLU   8  13.470   5.265   0.590
   47    HA   GLU   8           HA       GLU   8  15.541   5.268   2.589
   48    HB2  GLU   8           2HB      GLU   8  15.278   3.358   1.087
   49    HB3  GLU   8           3HB      GLU   8  15.584   4.389  -0.303
   50    HG2  GLU   8           2HG      GLU   8  17.844   4.694   0.294
   51    HG3  GLU   8           3HG      GLU   8  17.587   4.015   1.900
   52    H2   MK8   9           H        MK8   9  14.752   7.148  -0.349
   53    HB   MK8   9           2HB      MK8   9  14.859   8.757  -2.023
   54    HBA  MK8   9           3HB      MK8   9  15.951  10.134  -1.985
   55    HD   MK8   9           2HD      MK8   9  17.930   9.415  -4.455
   56    HDA  MK8   9           3HD      MK8   9  18.047  10.125  -2.833
   57    HE   MK8   9           HE       MK8   9  19.588   7.967  -2.121
   58    HG   MK8   9           2HG      MK8   9  17.179   7.383  -2.566
   59    HGA  MK8   9           3HG      MK8   9  16.169   8.102  -3.819
   60    HB1  MK8   9           HBA      MK8   9  18.458   9.128  -0.828
   61   HB1A  MK8   9          HGA       MK8   9  18.330   8.541   0.547
   62   HB1B  MK8   9          HDA       MK8   9  18.286   7.648  -0.657
   63    H    TYR  10           H        TYR  10  14.510   8.469   1.173
   64    HA   TYR  10           HA       TYR  10  14.431  11.242   2.025
   65    HB2  TYR  10           2HB      TYR  10  12.329  10.053   1.568
   66    HB3  TYR  10           3HB      TYR  10  12.707   8.891   2.835
   67    HD1  TYR  10           HD2      TYR  10  12.099  12.519   2.267
   68    HD2  TYR  10           HD1      TYR  10  12.020   9.285   5.030
   69    HE1  TYR  10           HE2      TYR  10  10.983  13.963   3.916
   70    HE2  TYR  10           HE1      TYR  10  10.903  10.719   6.687
   71    HH   TYR  10           HH       TYR  10  10.896  13.818   6.729
   72    H    ARG  11           H        ARG  11  16.090   8.510   2.938
   73    HA   ARG  11           HA       ARG  11  16.549   9.611   5.625
   74    HB2  ARG  11           2HB      ARG  11  15.464   7.030   4.956
   75    HB3  ARG  11           3HB      ARG  11  17.009   6.835   5.773
   76    HG2  ARG  11           2HG      ARG  11  16.256   7.852   7.716
   77    HG3  ARG  11           3HG      ARG  11  14.916   8.651   6.893
   78    HD2  ARG  11           2HD      ARG  11  13.648   6.704   6.802
   79    HD3  ARG  11           3HD      ARG  11  15.053   5.665   7.035
   80    HE   ARG  11           HE       ARG  11  14.558   7.338   9.294
   81   HH11  ARG  11          1HH1      ARG  11  13.583   4.399   7.704
   82   HH12  ARG  11          2HH1      ARG  11  13.009   3.649   9.156
   83   HH21  ARG  11          1HH2      ARG  11  13.805   6.362  11.214
   84   HH22  ARG  11          2HH2      ARG  11  13.135   4.767  11.152
   85    H    ASN  12           H        ASN  12  17.855   9.093   2.721
   86    HA   ASN  12           HA       ASN  12  20.543   8.679   3.844
   87    HB2  ASN  12           2HB      ASN  12  19.358   6.799   2.317
   88    HB3  ASN  12           3HB      ASN  12  20.079   7.791   1.053
   89   HD21  ASN  12          1HD2      ASN  12  20.855   5.195   1.439
   90   HD22  ASN  12          2HD2      ASN  12  22.473   5.158   2.044
   91    H2   MK8  13           H        MK8  13  18.456  10.298   1.445
   92    HB   MK8  13           2HB      MK8  13  18.225  11.132  -0.727
   93    HBA  MK8  13           3HB      MK8  13  18.426  12.878  -0.787
   94    HD   MK8  13           2HD      MK8  13  21.765  10.612  -1.730
   95    HDA  MK8  13           3HD      MK8  13  20.307   9.750  -1.199
   96    HE   MK8  13           HE       MK8  13  20.133  10.545  -4.072
   97    HG   MK8  13           2HG      MK8  13  19.352  11.827  -2.862
   98    HGA  MK8  13           3HG      MK8  13  20.644  12.613  -1.959
   99    HB1  MK8  13           HBA      MK8  13  21.860  12.305   1.158
  100   HB1A  MK8  13          HGA       MK8  13  21.783  11.198   0.148
  101   HB1B  MK8  13          HDA       MK8  13  21.606  12.623  -0.286
  102    H    TYR  14           H        TYR  14  17.661  11.970   1.895
  103    HA   TYR  14           HA       TYR  14  17.511  14.725   2.542
  104    HB2  TYR  14           2HB      TYR  14  15.724  12.665   2.520
  105    HB3  TYR  14           3HB      TYR  14  15.986  12.868   4.248
  106    HD1  TYR  14           HD1      TYR  14  15.403  15.021   1.242
  107    HD2  TYR  14           HD2      TYR  14  14.550  14.292   5.346
  108    HE1  TYR  14           HE1      TYR  14  13.843  16.922   1.249
  109    HE2  TYR  14           HE2      TYR  14  12.986  16.190   5.364
  110    HH   TYR  14           HH       TYR  14  12.821  18.459   2.808
  111    H    THR  15           H        THR  15  18.789  11.919   4.187
  112    HA   THR  15           HA       THR  15  19.075  13.215   6.732
  113    HB   THR  15           HB       THR  15  20.327  10.666   5.690
  114    HG1  THR  15           HG1      THR  15  18.006  11.206   7.247
  115   HG21  THR  15          1HG2      THR  15  20.288  11.920   8.428
  116   HG22  THR  15          2HG2      THR  15  21.684  11.390   7.488
  117   HG23  THR  15          3HG2      THR  15  20.580  10.200   8.176
  118    H    MET  16           H        MET  16  20.907  13.065   3.826
  119    HA   MET  16           HA       MET  16  23.411  13.795   5.091
  120    HB2  MET  16           2HB      MET  16  23.099  12.352   2.962
  121    HB3  MET  16           3HB      MET  16  22.882  13.889   2.134
  122    HG2  MET  16           2HG      MET  16  25.251  13.699   3.868
  123    HG3  MET  16           3HG      MET  16  25.252  12.659   2.446
  124    HE1  MET  16           3HE      MET  16  26.651  14.231   0.019
  125    HE2  MET  16           1HE      MET  16  25.328  13.114   0.356
  126    HE3  MET  16           2HE      MET  16  25.007  14.633  -0.481
  127    H    VAL  17           H        VAL  17  20.699  15.348   3.612
  128    HA   VAL  17           HA       VAL  17  22.033  17.836   3.074
  129    HB   VAL  17           HB       VAL  17  19.078  17.221   3.224
  130   HG11  VAL  17          1HG1      VAL  17  19.266  19.542   3.483
  131   HG12  VAL  17          2HG1      VAL  17  20.604  19.650   2.338
  132   HG13  VAL  17          3HG1      VAL  17  18.972  19.311   1.760
  133   HG21  VAL  17          3HG2      VAL  17  20.201  17.741   0.601
  134   HG22  VAL  17          1HG2      VAL  17  20.938  16.338   1.374
  135   HG23  VAL  17          2HG2      VAL  17  19.190  16.405   1.151
  136    H    LEU  18           H        LEU  18  19.972  16.549   5.634
  137    HA   LEU  18           HA       LEU  18  19.788  19.023   7.057
  138    HB2  LEU  18           2HB      LEU  18  18.528  17.881   8.618
  139    HB3  LEU  18           3HB      LEU  18  18.218  16.981   7.135
  140    HG   LEU  18           HG       LEU  18  20.234  15.514   8.082
  141   HD11  LEU  18          1HD1      LEU  18  19.549  17.239  10.264
  142   HD12  LEU  18          2HD1      LEU  18  20.805  16.006  10.166
  143   HD13  LEU  18          3HD1      LEU  18  19.176  15.566  10.680
  144   HD21  LEU  18          3HD2      LEU  18  18.643  13.922   8.692
  145   HD22  LEU  18          1HD2      LEU  18  17.793  14.940   7.530
  146   HD23  LEU  18          2HD2      LEU  18  17.500  15.142   9.258
  147    H    HIS  19           H        HIS  19  21.968  16.300   7.063
  148    HA   HIS  19           HA       HIS  19  23.225  16.896   9.552
  149    HB2  HIS  19           2HB      HIS  19  23.468  14.670   8.820
  150    HB3  HIS  19           3HB      HIS  19  23.961  15.164   7.203
  151    HD1  HIS  19           HD1      HIS  19  26.426  16.106   6.973
  152    HD2  HIS  19           HD2      HIS  19  25.515  14.360  10.631
  153    HE1  HIS  19           HE1      HIS  19  28.641  15.689   8.089
  154    H    LYS  20           H        LYS  20  24.259  17.354   6.171
  155    HA   LYS  20           HA       LYS  20  26.562  18.871   6.862
  156    HB2  LYS  20           2HB      LYS  20  26.570  17.734   4.766
  157    HB3  LYS  20           3HB      LYS  20  25.060  18.490   4.274
  158    HG2  LYS  20           2HG      LYS  20  27.064  20.477   4.863
  159    HG3  LYS  20           3HG      LYS  20  27.641  19.322   3.659
  160    HD2  LYS  20           2HD      LYS  20  26.561  20.693   2.226
  161    HD3  LYS  20           3HD      LYS  20  25.147  19.767   2.735
  162    HE2  LYS  20           2HE      LYS  20  24.434  21.447   4.198
  163    HE3  LYS  20           3HE      LYS  20  26.012  22.232   4.210
  164    HZ1  LYS  20           3HZ      LYS  20  23.924  22.311   2.134
  165    HZ2  LYS  20           1HZ      LYS  20  25.539  22.598   1.721
  166    HZ3  LYS  20           2HZ      LYS  20  24.765  23.592   2.849
  Start of MODEL   16
    1    H1   ASN   1           H        ASN   1   2.865  -1.824  -6.591
    2    HA   ASN   1           HA       ASN   1   3.646  -2.278  -3.807
    3    HB2  ASN   1           2HB      ASN   1   5.690  -3.104  -4.603
    4    HB3  ASN   1           3HB      ASN   1   4.530  -3.660  -5.805
    5   HD21  ASN   1          1HD2      ASN   1   4.762  -3.047  -7.869
    6   HD22  ASN   1          2HD2      ASN   1   5.983  -1.967  -8.442
    7    H    SER   2           H        SER   2   5.988  -1.202  -3.444
    8    HA   SER   2           HA       SER   2   5.721   1.651  -4.133
    9    HB2  SER   2           2HB      SER   2   5.510   0.508  -1.575
   10    HB3  SER   2           3HB      SER   2   7.109   1.250  -1.627
   11    HG   SER   2           HG       SER   2   4.589   2.426  -1.765
   12    H    GLY   3           H        GLY   3   7.990  -0.843  -2.985
   13    HA2  GLY   3           2HA      GLY   3  10.036  -1.308  -4.131
   14    HA3  GLY   3           3HA      GLY   3  10.033   0.342  -4.736
   15    H    LEU   4           H        LEU   4   9.249   1.169  -1.884
   16    HA   LEU   4           HA       LEU   4  10.302   1.970  -0.036
   17    HB2  LEU   4           2HB      LEU   4  10.960  -0.687  -0.176
   18    HB3  LEU   4           3HB      LEU   4  12.539   0.088  -0.066
   19    HG   LEU   4           HG       LEU   4  11.402   1.336   1.964
   20   HD11  LEU   4          1HD1      LEU   4   9.938  -1.292   1.999
   21   HD12  LEU   4          2HD1      LEU   4   9.201   0.223   1.477
   22   HD13  LEU   4          3HD1      LEU   4   9.788   0.052   3.132
   23   HD21  LEU   4          3HD2      LEU   4  13.228  -0.689   1.669
   24   HD22  LEU   4          1HD2      LEU   4  12.042  -1.395   2.767
   25   HD23  LEU   4          2HD2      LEU   4  12.832   0.126   3.183
   26    H    SER   5           H        SER   5  11.160   2.721  -2.799
   27    HA   SER   5           HA       SER   5  13.972   3.389  -2.444
   28    HB2  SER   5           2HB      SER   5  12.058   3.853  -4.742
   29    HB3  SER   5           3HB      SER   5  13.749   4.355  -4.748
   30    HG   SER   5           HG       SER   5  13.036   1.683  -4.203
   31    H    PHE   6           H        PHE   6  10.841   4.854  -2.208
   32    HA   PHE   6           HA       PHE   6  11.845   7.562  -2.243
   33    HB2  PHE   6           2HB      PHE   6   9.334   6.358  -2.598
   34    HB3  PHE   6           3HB      PHE   6   9.194   7.305  -1.120
   35    HD1  PHE   6           HD1      PHE   6   9.831   9.753  -1.202
   36    HD2  PHE   6           HD2      PHE   6   9.267   7.383  -4.692
   37    HE1  PHE   6           HE1      PHE   6   9.538  11.798  -2.539
   38    HE2  PHE   6           HE2      PHE   6   8.974   9.423  -6.035
   39    HZ   PHE   6           HZ       PHE   6   9.110  11.634  -4.959
   40    H    GLU   7           H        GLU   7  11.213   5.096   0.097
   41    HA   GLU   7           HA       GLU   7  11.236   6.938   2.339
   42    HB2  GLU   7           2HB      GLU   7  10.313   4.291   1.898
   43    HB3  GLU   7           3HB      GLU   7  11.536   4.213   3.158
   44    HG2  GLU   7           2HG      GLU   7   9.525   4.512   4.296
   45    HG3  GLU   7           3HG      GLU   7  10.272   6.108   4.284
   46    H    GLU   8           H        GLU   8  13.455   4.998   0.556
   47    HA   GLU   8           HA       GLU   8  15.466   4.981   2.642
   48    HB2  GLU   8           2HB      GLU   8  16.783   3.667   1.179
   49    HB3  GLU   8           3HB      GLU   8  15.129   3.110   0.965
   50    HG2  GLU   8           2HG      GLU   8  14.943   4.458  -1.069
   51    HG3  GLU   8           3HG      GLU   8  16.609   4.993  -0.859
   52    H2   MK8   9           H        MK8   9  14.667   6.847  -0.294
   53    HB   MK8   9           2HB      MK8   9  14.722   8.479  -1.937
   54    HBA  MK8   9           3HB      MK8   9  15.781   9.882  -1.886
   55    HD   MK8   9           2HD      MK8   9  17.751   9.264  -4.384
   56    HDA  MK8   9           3HD      MK8   9  17.877   9.932  -2.745
   57    HE   MK8   9           HE       MK8   9  19.464   7.779  -2.114
   58    HG   MK8   9           2HG      MK8   9  17.065   7.171  -2.534
   59    HGA  MK8   9           3HG      MK8   9  16.028   7.894  -3.762
   60    HB1  MK8   9           HBA      MK8   9  18.331   8.897  -0.776
   61   HB1A  MK8   9          HGA       MK8   9  18.229   8.270   0.583
   62   HB1B  MK8   9          HDA       MK8   9  18.181   7.411  -0.645
   63    H    TYR  10           H        TYR  10  14.417   8.155   1.259
   64    HA   TYR  10           HA       TYR  10  14.320  10.914   2.155
   65    HB2  TYR  10           2HB      TYR  10  12.208   9.802   1.736
   66    HB3  TYR  10           3HB      TYR  10  12.626   8.508   2.854
   67    HD1  TYR  10           HD2      TYR  10  11.799  12.110   2.633
   68    HD2  TYR  10           HD1      TYR  10  12.220   8.725   5.176
   69    HE1  TYR  10           HE2      TYR  10  10.740  13.363   4.466
   70    HE2  TYR  10           HE1      TYR  10  11.161   9.968   7.016
   71    HH   TYR  10           HH       TYR  10  10.204  11.867   7.644
   72    H    ARG  11           H        ARG  11  15.954   8.129   3.032
   73    HA   ARG  11           HA       ARG  11  16.448   9.207   5.727
   74    HB2  ARG  11           2HB      ARG  11  15.311   6.690   5.072
   75    HB3  ARG  11           3HB      ARG  11  16.933   6.387   5.681
   76    HG2  ARG  11           2HG      ARG  11  15.207   8.258   7.205
   77    HG3  ARG  11           3HG      ARG  11  14.839   6.534   7.281
   78    HD2  ARG  11           2HD      ARG  11  17.473   6.412   7.682
   79    HD3  ARG  11           3HD      ARG  11  17.179   8.032   8.312
   80    HE   ARG  11           HE       ARG  11  16.492   5.571   9.557
   81   HH11  ARG  11          1HH1      ARG  11  15.438   8.862   9.139
   82   HH12  ARG  11          2HH1      ARG  11  14.566   8.911  10.636
   83   HH21  ARG  11          1HH2      ARG  11  15.348   5.622  11.530
   84   HH22  ARG  11          2HH2      ARG  11  14.516   7.067  11.995
   85    H    ASN  12           H        ASN  12  17.729   8.657   2.776
   86    HA   ASN  12           HA       ASN  12  20.437   8.298   3.878
   87    HB2  ASN  12           2HB      ASN  12  19.263   6.451   2.308
   88    HB3  ASN  12           3HB      ASN  12  19.952   7.492   1.064
   89   HD21  ASN  12          1HD2      ASN  12  21.692   6.490   0.342
   90   HD22  ASN  12          2HD2      ASN  12  22.962   5.842   1.318
   91    H2   MK8  13           H        MK8  13  18.312   9.973   1.552
   92    HB   MK8  13           2HB      MK8  13  18.065  10.860  -0.599
   93    HBA  MK8  13           3HB      MK8  13  18.223  12.611  -0.591
   94    HD   MK8  13           2HD      MK8  13  21.604  10.462  -1.657
   95    HDA  MK8  13           3HD      MK8  13  20.172   9.548  -1.145
   96    HE   MK8  13           HE       MK8  13  19.943  10.452  -3.982
   97    HG   MK8  13           2HG      MK8  13  19.156  11.672  -2.714
   98    HGA  MK8  13           3HG      MK8  13  20.440  12.446  -1.787
   99    HB1  MK8  13           HBA      MK8  13  21.694  12.018   1.298
  100   HB1A  MK8  13          HGA       MK8  13  21.617  10.946   0.251
  101   HB1B  MK8  13          HDA       MK8  13  21.423  12.383  -0.132
  102    H    TYR  14           H        TYR  14  17.508  11.616   2.065
  103    HA   TYR  14           HA       TYR  14  17.242  14.326   2.760
  104    HB2  TYR  14           2HB      TYR  14  15.732  11.957   3.073
  105    HB3  TYR  14           3HB      TYR  14  15.919  12.647   4.681
  106    HD1  TYR  14           HD2      TYR  14  15.399  14.128   1.284
  107    HD2  TYR  14           HD1      TYR  14  14.024  13.801   5.297
  108    HE1  TYR  14           HE2      TYR  14  13.607  15.740   0.795
  109    HE2  TYR  14           HE1      TYR  14  12.227  15.411   4.818
  110    HH   TYR  14           HH       TYR  14  10.967  16.221   2.816
  111    H    THR  15           H        THR  15  18.873  11.659   4.308
  112    HA   THR  15           HA       THR  15  19.228  12.978   6.830
  113    HB   THR  15           HB       THR  15  19.244  10.464   6.478
  114    HG1  THR  15           HG1      THR  15  19.959  10.933   8.447
  115   HG21  THR  15          1HG2      THR  15  22.127  10.893   5.720
  116   HG22  THR  15          2HG2      THR  15  20.859  10.619   4.526
  117   HG23  THR  15          3HG2      THR  15  21.215   9.384   5.733
  118    H    MET  16           H        MET  16  21.068  12.663   3.861
  119    HA   MET  16           HA       MET  16  23.482  13.771   4.936
  120    HB2  MET  16           2HB      MET  16  23.201  12.243   2.872
  121    HB3  MET  16           3HB      MET  16  22.773  13.718   2.015
  122    HG2  MET  16           2HG      MET  16  24.892  14.356   1.854
  123    HG3  MET  16           3HG      MET  16  25.205  14.022   3.556
  124    HE1  MET  16           3HE      MET  16  28.010  11.729   2.786
  125    HE2  MET  16           1HE      MET  16  27.801  13.368   2.169
  126    HE3  MET  16           2HE      MET  16  27.282  12.971   3.807
  127    H    VAL  17           H        VAL  17  20.562  15.039   3.593
  128    HA   VAL  17           HA       VAL  17  21.626  17.611   2.892
  129    HB   VAL  17           HB       VAL  17  18.761  16.740   3.298
  130   HG11  VAL  17          1HG1      VAL  17  19.991  19.297   2.348
  131   HG12  VAL  17          2HG1      VAL  17  18.404  18.795   1.764
  132   HG13  VAL  17          3HG1      VAL  17  18.670  19.050   3.489
  133   HG21  VAL  17          3HG2      VAL  17  18.859  15.809   1.283
  134   HG22  VAL  17          1HG2      VAL  17  19.492  17.300   0.585
  135   HG23  VAL  17          2HG2      VAL  17  20.597  16.105   1.264
  136    H    LEU  18           H        LEU  18  19.870  16.257   5.644
  137    HA   LEU  18           HA       LEU  18  19.616  18.758   7.008
  138    HB2  LEU  18           2HB      LEU  18  18.550  17.588   8.682
  139    HB3  LEU  18           3HB      LEU  18  18.212  16.605   7.258
  140    HG   LEU  18           HG       LEU  18  20.393  15.333   8.113
  141   HD11  LEU  18          1HD1      LEU  18  19.383  15.556  10.786
  142   HD12  LEU  18          2HD1      LEU  18  19.905  17.137  10.205
  143   HD13  LEU  18          3HD1      LEU  18  21.028  15.777  10.189
  144   HD21  LEU  18          3HD2      LEU  18  17.753  14.838   9.460
  145   HD22  LEU  18          1HD2      LEU  18  18.968  13.665   8.951
  146   HD23  LEU  18          2HD2      LEU  18  18.008  14.520   7.743
  147    H    HIS  19           H        HIS  19  21.983  16.201   6.913
  148    HA   HIS  19           HA       HIS  19  23.376  16.977   9.283
  149    HB2  HIS  19           2HB      HIS  19  23.705  14.738   8.630
  150    HB3  HIS  19           3HB      HIS  19  24.042  15.184   6.959
  151    HD1  HIS  19           HD1      HIS  19  26.418  16.261   6.498
  152    HD2  HIS  19           HD2      HIS  19  25.898  14.639  10.287
  153    HE1  HIS  19           HE1      HIS  19  28.732  16.032   7.454
  154    H    LYS  20           H        LYS  20  24.130  17.330   5.816
  155    HA   LYS  20           HA       LYS  20  26.375  19.014   6.258
  156    HB2  LYS  20           2HB      LYS  20  26.291  17.784   4.217
  157    HB3  LYS  20           3HB      LYS  20  24.705  18.428   3.816
  158    HG2  LYS  20           2HG      LYS  20  26.625  20.551   4.163
  159    HG3  LYS  20           3HG      LYS  20  27.173  19.379   2.963
  160    HD2  LYS  20           2HD      LYS  20  25.908  20.644   1.577
  161    HD3  LYS  20           3HD      LYS  20  24.606  19.633   2.210
  162    HE2  LYS  20           2HE      LYS  20  23.716  21.317   3.441
  163    HE3  LYS  20           3HE      LYS  20  25.285  22.047   3.775
  164    HZ1  LYS  20           3HZ      LYS  20  25.267  23.201   1.799
  165    HZ2  LYS  20           1HZ      LYS  20  23.629  23.245   2.221
  166    HZ3  LYS  20           2HZ      LYS  20  24.172  22.150   1.052
  Start of MODEL   17
    1    H1   ASN   1           H        ASN   1   4.985   4.374  -8.983
    2    HA   ASN   1           HA       ASN   1   6.046   4.828  -6.381
    3    HB2  ASN   1           2HB      ASN   1   4.547   3.066  -5.281
    4    HB3  ASN   1           3HB      ASN   1   3.848   4.663  -5.536
    5   HD21  ASN   1          1HD2      ASN   1   3.492   1.366  -6.035
    6   HD22  ASN   1          2HD2      ASN   1   2.163   1.416  -7.138
    7    H    SER   2           H        SER   2   7.576   3.341  -5.906
    8    HA   SER   2           HA       SER   2   7.749   0.994  -7.680
    9    HB2  SER   2           2HB      SER   2   9.640   3.068  -7.154
   10    HB3  SER   2           3HB      SER   2  10.286   1.557  -6.514
   11    HG   SER   2           HG       SER   2  10.143   2.355  -9.052
   12    H    GLY   3           H        GLY   3   9.213   2.005  -4.584
   13    HA2  GLY   3           2HA      GLY   3   7.957  -0.109  -3.119
   14    HA3  GLY   3           3HA      GLY   3   9.631  -0.484  -3.501
   15    H    LEU   4           H        LEU   4  10.826  -0.183  -1.745
   16    HA   LEU   4           HA       LEU   4  10.123   1.856   0.194
   17    HB2  LEU   4           2HB      LEU   4  11.673   0.845   1.633
   18    HB3  LEU   4           3HB      LEU   4  10.899  -0.482   0.769
   19    HG   LEU   4           HG       LEU   4  13.247   0.252  -0.658
   20   HD11  LEU   4          1HD1      LEU   4  14.330   1.195   1.149
   21   HD12  LEU   4          2HD1      LEU   4  14.825  -0.493   1.262
   22   HD13  LEU   4          3HD1      LEU   4  13.549   0.123   2.312
   23   HD21  LEU   4          3HD2      LEU   4  12.998  -2.180   1.062
   24   HD22  LEU   4          1HD2      LEU   4  13.693  -2.012  -0.551
   25   HD23  LEU   4          2HD2      LEU   4  11.942  -1.972  -0.337
   26    H    SER   5           H        SER   5  11.815   1.843  -2.625
   27    HA   SER   5           HA       SER   5  14.204   3.155  -2.125
   28    HB2  SER   5           2HB      SER   5  12.676   2.502  -4.393
   29    HB3  SER   5           3HB      SER   5  12.944   4.243  -4.487
   30    HG   SER   5           HG       SER   5  15.242   3.532  -3.913
   31    H    PHE   6           H        PHE   6  10.964   4.322  -1.893
   32    HA   PHE   6           HA       PHE   6  11.662   7.114  -1.999
   33    HB2  PHE   6           2HB      PHE   6   9.394   7.552  -1.812
   34    HB3  PHE   6           3HB      PHE   6   9.379   5.957  -2.558
   35    HD1  PHE   6           HD2      PHE   6   9.483   3.983  -0.718
   36    HD2  PHE   6           HD1      PHE   6   7.905   7.889  -0.114
   37    HE1  PHE   6           HE2      PHE   6   8.094   3.133   1.127
   38    HE2  PHE   6           HE1      PHE   6   6.514   7.046   1.733
   39    HZ   PHE   6           HZ       PHE   6   6.607   4.665   2.354
   40    H    GLU   7           H        GLU   7  11.301   4.663   0.448
   41    HA   GLU   7           HA       GLU   7  11.317   6.569   2.629
   42    HB2  GLU   7           2HB      GLU   7  10.326   4.044   2.392
   43    HB3  GLU   7           3HB      GLU   7  11.843   3.730   3.223
   44    HG2  GLU   7           2HG      GLU   7  10.204   5.931   4.298
   45    HG3  GLU   7           3HG      GLU   7   9.550   4.305   4.480
   46    H    GLU   8           H        GLU   8  13.581   4.624   0.860
   47    HA   GLU   8           HA       GLU   8  15.683   4.865   2.823
   48    HB2  GLU   8           2HB      GLU   8  15.198   3.134   0.736
   49    HB3  GLU   8           3HB      GLU   8  16.488   4.146   0.102
   50    HG2  GLU   8           2HG      GLU   8  16.628   2.763   2.766
   51    HG3  GLU   8           3HG      GLU   8  17.223   2.055   1.266
   52    H2   MK8   9           H        MK8   9  14.616   6.584  -0.115
   53    HB   MK8   9           2HB      MK8   9  14.477   8.172  -1.800
   54    HBA  MK8   9           3HB      MK8   9  15.447   9.638  -1.845
   55    HD   MK8   9           2HD      MK8   9  17.324   9.058  -4.426
   56    HDA  MK8   9           3HD      MK8   9  17.487   9.789  -2.817
   57    HE   MK8   9           HE       MK8   9  19.241   7.772  -2.198
   58    HG   MK8   9           2HG      MK8   9  16.862   6.990  -2.482
   59    HGA  MK8   9           3HG      MK8   9  15.721   7.610  -3.673
   60    HB1  MK8   9           HBA      MK8   9  18.103   8.857  -0.844
   61   HB1A  MK8   9          HGA       MK8   9  18.112   8.274   0.538
   62   HB1B  MK8   9          HDA       MK8   9  18.062   7.369  -0.657
   63    H    TYR  10           H        TYR  10  14.348   7.920   1.406
   64    HA   TYR  10           HA       TYR  10  14.111  10.691   2.236
   65    HB2  TYR  10           2HB      TYR  10  12.061   9.427   1.947
   66    HB3  TYR  10           3HB      TYR  10  12.615   8.202   3.083
   67    HD1  TYR  10           HD1      TYR  10  12.443  11.940   3.169
   68    HD2  TYR  10           HD2      TYR  10  11.400   8.262   5.037
   69    HE1  TYR  10           HE1      TYR  10  11.388  13.182   5.012
   70    HE2  TYR  10           HE2      TYR  10  10.341   9.493   6.884
   71    HH   TYR  10           HH       TYR  10  10.842  12.723   7.465
   72    H    ARG  11           H        ARG  11  15.980   8.058   3.096
   73    HA   ARG  11           HA       ARG  11  16.530   9.244   5.732
   74    HB2  ARG  11           2HB      ARG  11  15.378   6.763   5.363
   75    HB3  ARG  11           3HB      ARG  11  17.082   6.378   5.559
   76    HG2  ARG  11           2HG      ARG  11  16.914   7.959   7.624
   77    HG3  ARG  11           3HG      ARG  11  15.187   7.620   7.493
   78    HD2  ARG  11           2HD      ARG  11  15.774   5.902   8.861
   79    HD3  ARG  11           3HD      ARG  11  16.087   5.128   7.308
   80    HE   ARG  11           HE       ARG  11  18.321   5.116   7.805
   81   HH11  ARG  11          1HH1      ARG  11  16.686   7.315   9.952
   82   HH12  ARG  11          2HH1      ARG  11  18.077   7.580  10.951
   83   HH21  ARG  11          1HH2      ARG  11  20.159   5.456   9.112
   84   HH22  ARG  11          2HH2      ARG  11  20.052   6.523  10.471
   85    H    ASN  12           H        ASN  12  17.699   8.758   2.754
   86    HA   ASN  12           HA       ASN  12  20.472   8.565   3.722
   87    HB2  ASN  12           2HB      ASN  12  19.348   6.589   2.283
   88    HB3  ASN  12           3HB      ASN  12  19.897   7.622   0.967
   89   HD21  ASN  12          1HD2      ASN  12  20.745   4.954   2.224
   90   HD22  ASN  12          2HD2      ASN  12  22.461   5.109   2.361
   91    H2   MK8  13           H        MK8  13  18.135  10.016   1.450
   92    HB   MK8  13           2HB      MK8  13  17.722  10.807  -0.711
   93    HBA  MK8  13           3HB      MK8  13  17.769  12.564  -0.769
   94    HD   MK8  13           2HD      MK8  13  21.220  10.590  -1.943
   95    HDA  MK8  13           3HD      MK8  13  19.876   9.607  -1.328
   96    HE   MK8  13           HE       MK8  13  19.446  10.394  -4.176
   97    HG   MK8  13           2HG      MK8  13  18.647  11.605  -2.908
   98    HGA  MK8  13           3HG      MK8  13  19.925  12.492  -2.080
   99    HB1  MK8  13           HBA      MK8  13  21.366  12.252   0.944
  100   HB1A  MK8  13          HGA       MK8  13  21.302  11.136  -0.056
  101   HB1B  MK8  13          HDA       MK8  13  20.999  12.542  -0.481
  102    H    TYR  14           H        TYR  14  17.259  11.629   1.953
  103    HA   TYR  14           HA       TYR  14  16.938  14.367   2.595
  104    HB2  TYR  14           2HB      TYR  14  15.442  11.997   2.899
  105    HB3  TYR  14           3HB      TYR  14  15.645  12.657   4.518
  106    HD1  TYR  14           HD1      TYR  14  14.816  13.882   1.080
  107    HD2  TYR  14           HD2      TYR  14  14.021  14.114   5.253
  108    HE1  TYR  14           HE1      TYR  14  13.012  15.495   0.640
  109    HE2  TYR  14           HE2      TYR  14  12.214  15.727   4.825
  110    HH   TYR  14           HH       TYR  14  10.646  16.201   2.649
  111    H    THR  15           H        THR  15  18.503  11.677   4.211
  112    HA   THR  15           HA       THR  15  18.895  13.040   6.696
  113    HB   THR  15           HB       THR  15  20.265  10.586   5.580
  114    HG1  THR  15           HG1      THR  15  18.186  10.830   7.517
  115   HG21  THR  15          1HG2      THR  15  20.512  12.038   8.170
  116   HG22  THR  15          2HG2      THR  15  21.742  11.193   7.229
  117   HG23  THR  15          3HG2      THR  15  20.577  10.276   8.184
  118    H    MET  16           H        MET  16  20.532  12.973   3.665
  119    HA   MET  16           HA       MET  16  23.041  13.948   4.740
  120    HB2  MET  16           2HB      MET  16  22.706  12.429   2.664
  121    HB3  MET  16           3HB      MET  16  22.316  13.925   1.825
  122    HG2  MET  16           2HG      MET  16  24.449  14.617   1.789
  123    HG3  MET  16           3HG      MET  16  24.789  13.993   3.401
  124    HE1  MET  16           3HE      MET  16  27.329  12.117   2.759
  125    HE2  MET  16           1HE      MET  16  26.066  12.494   3.931
  126    HE3  MET  16           2HE      MET  16  26.200  10.863   3.274
  127    H    VAL  17           H        VAL  17  20.112  15.226   3.420
  128    HA   VAL  17           HA       VAL  17  21.187  17.803   2.740
  129    HB   VAL  17           HB       VAL  17  18.315  16.937   3.103
  130   HG11  VAL  17          1HG1      VAL  17  19.578  19.500   2.260
  131   HG12  VAL  17          2HG1      VAL  17  18.061  19.006   1.507
  132   HG13  VAL  17          3HG1      VAL  17  18.150  19.220   3.256
  133   HG21  VAL  17          3HG2      VAL  17  20.102  16.158   1.155
  134   HG22  VAL  17          1HG2      VAL  17  18.343  16.122   1.024
  135   HG23  VAL  17          2HG2      VAL  17  19.245  17.505   0.405
  136    H    LEU  18           H        LEU  18  19.421  16.414   5.463
  137    HA   LEU  18           HA       LEU  18  19.122  18.901   6.844
  138    HB2  LEU  18           2HB      LEU  18  18.073  17.698   8.513
  139    HB3  LEU  18           3HB      LEU  18  17.740  16.738   7.073
  140    HG   LEU  18           HG       LEU  18  19.933  15.468   7.904
  141   HD11  LEU  18          1HD1      LEU  18  19.314  17.204  10.070
  142   HD12  LEU  18          2HD1      LEU  18  20.590  15.993   9.952
  143   HD13  LEU  18          3HD1      LEU  18  19.003  15.543  10.574
  144   HD21  LEU  18          3HD2      LEU  18  17.240  14.977   9.162
  145   HD22  LEU  18          1HD2      LEU  18  18.502  13.794   8.814
  146   HD23  LEU  18          2HD2      LEU  18  17.632  14.571   7.490
  147    H    HIS  19           H        HIS  19  21.521  16.371   6.757
  148    HA   HIS  19           HA       HIS  19  22.887  17.133   9.140
  149    HB2  HIS  19           2HB      HIS  19  23.273  14.919   8.437
  150    HB3  HIS  19           3HB      HIS  19  23.609  15.412   6.779
  151    HD1  HIS  19           HD1      HIS  19  25.963  16.554   6.359
  152    HD2  HIS  19           HD2      HIS  19  25.457  14.830  10.105
  153    HE1  HIS  19           HE1      HIS  19  28.276  16.355   7.325
  154    H    LYS  20           H        LYS  20  23.666  17.581   5.689
  155    HA   LYS  20           HA       LYS  20  25.869  19.301   6.184
  156    HB2  LYS  20           2HB      LYS  20  25.823  18.138   4.108
  157    HB3  LYS  20           3HB      LYS  20  24.216  18.741   3.726
  158    HG2  LYS  20           2HG      LYS  20  26.302  20.785   4.121
  159    HG3  LYS  20           3HG      LYS  20  26.472  19.757   2.696
  160    HD2  LYS  20           2HD      LYS  20  23.950  21.245   3.415
  161    HD3  LYS  20           3HD      LYS  20  25.178  21.860   2.306
  162    HE2  LYS  20           2HE      LYS  20  24.557  19.218   1.506
  163    HE3  LYS  20           3HE      LYS  20  23.030  20.054   1.787
  164    HZ1  LYS  20           3HZ      LYS  20  24.464  20.204  -0.482
  165    HZ2  LYS  20           1HZ      LYS  20  24.978  21.599   0.325
  166    HZ3  LYS  20           2HZ      LYS  20  23.333  21.360   0.015
  Start of MODEL   18
    1    H1   ASN   1           H        ASN   1   8.847  -1.597  -6.267
    2    HA   ASN   1           HA       ASN   1  10.354   0.578  -5.109
    3    HB2  ASN   1           2HB      ASN   1   9.963   0.337  -8.092
    4    HB3  ASN   1           3HB      ASN   1  10.285   1.877  -7.299
    5   HD21  ASN   1          1HD2      ASN   1  11.809   0.104  -9.213
    6   HD22  ASN   1          2HD2      ASN   1  13.374  -0.041  -8.495
    7    H    SER   2           H        SER   2   7.936  -0.351  -4.319
    8    HA   SER   2           HA       SER   2   5.978   1.535  -5.446
    9    HB2  SER   2           2HB      SER   2   5.762  -1.201  -4.837
   10    HB3  SER   2           3HB      SER   2   4.834  -0.365  -3.591
   11    HG   SER   2           HG       SER   2   3.454   0.340  -5.064
   12    H    GLY   3           H        GLY   3   6.805   0.073  -2.292
   13    HA2  GLY   3           2HA      GLY   3   6.488   2.733  -1.077
   14    HA3  GLY   3           3HA      GLY   3   5.596   1.374  -0.411
   15    H    LEU   4           H        LEU   4   8.866   2.536  -1.114
   16    HA   LEU   4           HA       LEU   4   9.878   1.883   1.414
   17    HB2  LEU   4           2HB      LEU   4   9.749  -0.400   0.920
   18    HB3  LEU   4           3HB      LEU   4  10.289  -0.161  -0.740
   19    HG   LEU   4           HG       LEU   4  12.552   0.377   0.125
   20   HD11  LEU   4          1HD1      LEU   4  12.141   1.153   2.314
   21   HD12  LEU   4          2HD1      LEU   4  12.999  -0.376   2.497
   22   HD13  LEU   4          3HD1      LEU   4  11.255  -0.309   2.749
   23   HD21  LEU   4          3HD2      LEU   4  11.208  -2.185   0.160
   24   HD22  LEU   4          1HD2      LEU   4  12.574  -2.148   1.275
   25   HD23  LEU   4          2HD2      LEU   4  12.817  -1.762  -0.429
   26    H    SER   5           H        SER   5  10.742   2.035  -2.026
   27    HA   SER   5           HA       SER   5  13.371   2.931  -1.720
   28    HB2  SER   5           2HB      SER   5  11.669   2.395  -3.859
   29    HB3  SER   5           3HB      SER   5  12.057   4.106  -4.036
   30    HG   SER   5           HG       SER   5  13.781   3.286  -4.956
   31    H    PHE   6           H        PHE   6  10.334   4.624  -1.519
   32    HA   PHE   6           HA       PHE   6  11.411   7.255  -1.742
   33    HB2  PHE   6           2HB      PHE   6   8.790   6.049  -1.108
   34    HB3  PHE   6           3HB      PHE   6   9.085   7.632  -0.395
   35    HD1  PHE   6           HD1      PHE   6  10.151   9.373  -2.122
   36    HD2  PHE   6           HD2      PHE   6   7.776   5.996  -3.157
   37    HE1  PHE   6           HE1      PHE   6   9.563  10.446  -4.257
   38    HE2  PHE   6           HE2      PHE   6   7.184   7.063  -5.294
   39    HZ   PHE   6           HZ       PHE   6   8.078   9.290  -5.847
   40    H    GLU   7           H        GLU   7  10.601   5.128   0.960
   41    HA   GLU   7           HA       GLU   7  11.151   7.043   2.991
   42    HB2  GLU   7           2HB      GLU   7  10.830   4.055   2.967
   43    HB3  GLU   7           3HB      GLU   7  11.330   4.897   4.427
   44    HG2  GLU   7           2HG      GLU   7   9.303   5.993   4.647
   45    HG3  GLU   7           3HG      GLU   7   8.878   5.755   2.953
   46    H    GLU   8           H        GLU   8  13.101   4.884   1.114
   47    HA   GLU   8           HA       GLU   8  15.364   4.945   2.892
   48    HB2  GLU   8           2HB      GLU   8  14.577   3.374   0.718
   49    HB3  GLU   8           3HB      GLU   8  16.000   4.238   0.153
   50    HG2  GLU   8           2HG      GLU   8  17.348   3.342   1.867
   51    HG3  GLU   8           3HG      GLU   8  15.948   2.745   2.756
   52    H2   MK8   9           H        MK8   9  14.243   6.780   0.033
   53    HB   MK8   9           2HB      MK8   9  14.146   8.373  -1.656
   54    HBA  MK8   9           3HB      MK8   9  15.204   9.775  -1.736
   55    HD   MK8   9           2HD      MK8   9  16.946   9.076  -4.386
   56    HDA  MK8   9           3HD      MK8   9  17.204   9.806  -2.789
   57    HE   MK8   9           HE       MK8   9  18.868   7.709  -2.211
   58    HG   MK8   9           2HG      MK8   9  16.432   7.047  -2.417
   59    HGA  MK8   9           3HG      MK8   9  15.287   7.731  -3.568
   60    HB1  MK8   9           HBA      MK8   9  17.837   8.838  -0.824
   61   HB1A  MK8   9          HGA       MK8   9  17.859   8.254   0.558
   62   HB1B  MK8   9          HDA       MK8   9  17.716   7.355  -0.634
   63    H    TYR  10           H        TYR  10  14.125   8.109   1.563
   64    HA   TYR  10           HA       TYR  10  14.069  10.889   2.398
   65    HB2  TYR  10           2HB      TYR  10  11.960   9.640   2.160
   66    HB3  TYR  10           3HB      TYR  10  12.489   8.511   3.402
   67    HD1  TYR  10           HD2      TYR  10  11.660  12.085   2.816
   68    HD2  TYR  10           HD1      TYR  10  12.090   8.959   5.669
   69    HE1  TYR  10           HE2      TYR  10  10.675  13.534   4.542
   70    HE2  TYR  10           HE1      TYR  10  11.105  10.398   7.404
   71    HH   TYR  10           HH       TYR  10  10.150  13.743   6.690
   72    H    ARG  11           H        ARG  11  15.874   8.205   3.158
   73    HA   ARG  11           HA       ARG  11  16.569   9.338   5.782
   74    HB2  ARG  11           2HB      ARG  11  15.217   7.017   5.599
   75    HB3  ARG  11           3HB      ARG  11  16.859   6.408   5.445
   76    HG2  ARG  11           2HG      ARG  11  17.422   6.975   7.583
   77    HG3  ARG  11           3HG      ARG  11  16.264   8.305   7.652
   78    HD2  ARG  11           2HD      ARG  11  14.522   6.942   8.226
   79    HD3  ARG  11           3HD      ARG  11  15.202   5.544   7.394
   80    HE   ARG  11           HE       ARG  11  16.919   5.917   9.441
   81   HH11  ARG  11          1HH1      ARG  11  13.451   5.657   9.269
   82   HH12  ARG  11          2HH1      ARG  11  13.295   4.958  10.846
   83   HH21  ARG  11          1HH2      ARG  11  16.726   4.997  11.519
   84   HH22  ARG  11          2HH2      ARG  11  15.158   4.584  12.126
   85    H    ASN  12           H        ASN  12  17.596   8.844   2.766
   86    HA   ASN  12           HA       ASN  12  20.392   8.507   3.619
   87    HB2  ASN  12           2HB      ASN  12  19.107   6.589   2.218
   88    HB3  ASN  12           3HB      ASN  12  19.690   7.589   0.891
   89   HD21  ASN  12          1HD2      ASN  12  21.915   7.842   0.591
   90   HD22  ASN  12          2HD2      ASN  12  23.054   6.746   1.289
   91    H2   MK8  13           H        MK8  13  18.040  10.031   1.401
   92    HB   MK8  13           2HB      MK8  13  17.556  10.859  -0.719
   93    HBA  MK8  13           3HB      MK8  13  17.715  12.607  -0.813
   94    HD   MK8  13           2HD      MK8  13  20.993  10.416  -2.064
   95    HDA  MK8  13           3HD      MK8  13  19.619   9.517  -1.390
   96    HE   MK8  13           HE       MK8  13  19.150  10.273  -4.242
   97    HG   MK8  13           2HG      MK8  13  18.438  11.539  -2.965
   98    HGA  MK8  13           3HG      MK8  13  19.793  12.380  -2.216
   99    HB1  MK8  13           HBA      MK8  13  20.928  12.407  -0.661
  100   HB1A  MK8  13          HGA       MK8  13  21.338  12.151   0.759
  101   HB1B  MK8  13          HDA       MK8  13  21.194  11.005  -0.198
  102    H    TYR  14           H        TYR  14  17.255  11.696   1.945
  103    HA   TYR  14           HA       TYR  14  17.099  14.452   2.588
  104    HB2  TYR  14           2HB      TYR  14  15.385  12.335   2.782
  105    HB3  TYR  14           3HB      TYR  14  15.825  12.579   4.469
  106    HD1  TYR  14           HD2      TYR  14  14.519  14.365   1.478
  107    HD2  TYR  14           HD1      TYR  14  14.803  14.268   5.723
  108    HE1  TYR  14           HE2      TYR  14  12.909  16.219   1.623
  109    HE2  TYR  14           HE1      TYR  14  13.192  16.120   5.879
  110    HH   TYR  14           HH       TYR  14  12.510  18.151   3.718
  111    H    THR  15           H        THR  15  18.641  11.704   4.095
  112    HA   THR  15           HA       THR  15  19.163  13.029   6.588
  113    HB   THR  15           HB       THR  15  20.368  10.511   5.425
  114    HG1  THR  15           HG1      THR  15  17.990  10.748   6.098
  115   HG21  THR  15          1HG2      THR  15  20.705  10.208   8.050
  116   HG22  THR  15          2HG2      THR  15  20.805  11.967   7.976
  117   HG23  THR  15          3HG2      THR  15  21.919  10.980   7.031
  118    H    MET  16           H        MET  16  20.673  12.900   3.498
  119    HA   MET  16           HA       MET  16  23.273  13.725   4.476
  120    HB2  MET  16           2HB      MET  16  22.787  12.250   2.408
  121    HB3  MET  16           3HB      MET  16  22.415  13.765   1.596
  122    HG2  MET  16           2HG      MET  16  24.602  13.597   1.047
  123    HG3  MET  16           3HG      MET  16  24.770  14.448   2.581
  124    HE1  MET  16           3HE      MET  16  26.663  12.727   0.749
  125    HE2  MET  16           1HE      MET  16  27.618  13.083   2.189
  126    HE3  MET  16           2HE      MET  16  27.446  11.417   1.635
  127    H    VAL  17           H        VAL  17  20.367  15.177   3.292
  128    HA   VAL  17           HA       VAL  17  21.551  17.700   2.592
  129    HB   VAL  17           HB       VAL  17  18.652  17.001   3.081
  130   HG11  VAL  17          1HG1      VAL  17  20.017  19.464   2.062
  131   HG12  VAL  17          2HG1      VAL  17  18.373  19.068   1.559
  132   HG13  VAL  17          3HG1      VAL  17  18.738  19.316   3.267
  133   HG21  VAL  17          3HG2      VAL  17  20.320  16.142   1.041
  134   HG22  VAL  17          1HG2      VAL  17  18.556  16.148   1.025
  135   HG23  VAL  17          2HG2      VAL  17  19.449  17.506   0.340
  136    H    LEU  18           H        LEU  18  19.828  16.378   5.376
  137    HA   LEU  18           HA       LEU  18  19.727  18.860   6.793
  138    HB2  LEU  18           2HB      LEU  18  18.688  17.696   8.495
  139    HB3  LEU  18           3HB      LEU  18  18.239  16.774   7.061
  140    HG   LEU  18           HG       LEU  18  20.393  15.376   7.782
  141   HD11  LEU  18          1HD1      LEU  18  21.146  15.763   9.828
  142   HD12  LEU  18          2HD1      LEU  18  19.532  15.529  10.498
  143   HD13  LEU  18          3HD1      LEU  18  20.039  17.130   9.960
  144   HD21  LEU  18          3HD2      LEU  18  18.926  13.750   8.624
  145   HD22  LEU  18          1HD2      LEU  18  17.954  14.693   7.495
  146   HD23  LEU  18          2HD2      LEU  18  17.794  14.959   9.231
  147    H    HIS  19           H        HIS  19  21.978  16.205   6.577
  148    HA   HIS  19           HA       HIS  19  23.486  16.868   8.905
  149    HB2  HIS  19           2HB      HIS  19  23.715  14.642   8.171
  150    HB3  HIS  19           3HB      HIS  19  24.007  15.129   6.504
  151    HD1  HIS  19           HD1      HIS  19  26.401  16.141   5.990
  152    HD2  HIS  19           HD2      HIS  19  25.960  14.416   9.743
  153    HE1  HIS  19           HE1      HIS  19  28.739  15.804   6.854
  154    H    LYS  20           H        LYS  20  24.109  17.325   5.425
  155    HA   LYS  20           HA       LYS  20  26.428  18.922   5.847
  156    HB2  LYS  20           2HB      LYS  20  26.211  17.718   3.780
  157    HB3  LYS  20           3HB      LYS  20  24.673  18.495   3.426
  158    HG2  LYS  20           2HG      LYS  20  26.644  20.515   3.789
  159    HG3  LYS  20           3HG      LYS  20  27.267  19.306   2.664
  160    HD2  LYS  20           2HD      LYS  20  26.129  20.574   1.166
  161    HD3  LYS  20           3HD      LYS  20  24.785  19.558   1.693
  162    HE2  LYS  20           2HE      LYS  20  24.125  21.894   1.675
  163    HE3  LYS  20           3HE      LYS  20  24.143  21.274   3.325
  164    HZ1  LYS  20           3HZ      LYS  20  25.609  23.430   2.213
  165    HZ2  LYS  20           1HZ      LYS  20  26.667  22.285   2.871
  166    HZ3  LYS  20           2HZ      LYS  20  25.455  22.968   3.833
  Start of MODEL   19
    1    H1   ASN   1           H        ASN   1   7.249   4.501  -3.675
    2    HA   ASN   1           HA       ASN   1   6.069   4.202  -1.704
    3    HB2  ASN   1           2HB      ASN   1   4.502   6.016  -2.490
    4    HB3  ASN   1           3HB      ASN   1   3.540   4.759  -3.262
    5   HD21  ASN   1          1HD2      ASN   1   2.014   3.810  -2.105
    6   HD22  ASN   1          2HD2      ASN   1   1.844   3.911  -0.389
    7    H    SER   2           H        SER   2   6.982   2.130  -3.060
    8    HA   SER   2           HA       SER   2   4.933   0.106  -2.632
    9    HB2  SER   2           2HB      SER   2   5.289   0.966  -5.185
   10    HB3  SER   2           3HB      SER   2   6.483  -0.329  -5.111
   11    HG   SER   2           HG       SER   2   3.693  -0.484  -4.679
   12    H    GLY   3           H        GLY   3   8.232   0.441  -3.964
   13    HA2  GLY   3           2HA      GLY   3   9.081  -1.991  -2.659
   14    HA3  GLY   3           3HA      GLY   3  10.080  -0.924  -3.635
   15    H    LEU   4           H        LEU   4  11.587   0.200  -2.601
   16    HA   LEU   4           HA       LEU   4  11.162   1.342  -0.014
   17    HB2  LEU   4           2HB      LEU   4  13.249   0.079   0.890
   18    HB3  LEU   4           3HB      LEU   4  11.652  -0.661   0.987
   19    HG   LEU   4           HG       LEU   4  13.030  -1.382  -1.462
   20   HD11  LEU   4          1HD1      LEU   4  14.508  -2.996   0.067
   21   HD12  LEU   4          2HD1      LEU   4  14.494  -1.568   1.100
   22   HD13  LEU   4          3HD1      LEU   4  15.101  -1.455  -0.552
   23   HD21  LEU   4          3HD2      LEU   4  11.052  -2.400   0.077
   24   HD22  LEU   4          1HD2      LEU   4  12.413  -3.397   0.588
   25   HD23  LEU   4          2HD2      LEU   4  11.961  -3.331  -1.115
   26    H    SER   5           H        SER   5  12.032   2.030  -2.764
   27    HA   SER   5           HA       SER   5  14.808   2.831  -2.423
   28    HB2  SER   5           2HB      SER   5  14.554   3.728  -4.744
   29    HB3  SER   5           3HB      SER   5  14.187   2.008  -4.612
   30    HG   SER   5           HG       SER   5  12.506   4.155  -5.149
   31    H    PHE   6           H        PHE   6  11.600   4.237  -2.447
   32    HA   PHE   6           HA       PHE   6  12.453   6.954  -2.516
   33    HB2  PHE   6           2HB      PHE   6   9.905   5.507  -2.142
   34    HB3  PHE   6           3HB      PHE   6   9.992   7.089  -1.374
   35    HD1  PHE   6           HD2      PHE   6  10.566   5.388  -4.630
   36    HD2  PHE   6           HD1      PHE   6   9.564   8.997  -2.609
   37    HE1  PHE   6           HE2      PHE   6  10.073   6.457  -6.791
   38    HE2  PHE   6           HE1      PHE   6   9.068  10.071  -4.766
   39    HZ   PHE   6           HZ       PHE   6   9.323   8.802  -6.861
   40    H    GLU   7           H        GLU   7  11.572   4.709   0.071
   41    HA   GLU   7           HA       GLU   7  11.792   6.617   2.169
   42    HB2  GLU   7           2HB      GLU   7  11.743   3.607   2.102
   43    HB3  GLU   7           3HB      GLU   7  11.964   4.494   3.604
   44    HG2  GLU   7           2HG      GLU   7   9.688   5.371   1.975
   45    HG3  GLU   7           3HG      GLU   7   9.572   3.728   2.605
   46    H    GLU   8           H        GLU   8  14.060   4.652   0.447
   47    HA   GLU   8           HA       GLU   8  16.142   4.824   2.424
   48    HB2  GLU   8           2HB      GLU   8  15.763   3.555  -0.182
   49    HB3  GLU   8           3HB      GLU   8  17.383   4.201   0.038
   50    HG2  GLU   8           2HG      GLU   8  17.724   2.880   1.992
   51    HG3  GLU   8           3HG      GLU   8  16.037   2.371   2.007
   52    H2   MK8   9           H        MK8   9  15.152   6.671  -0.476
   53    HB   MK8   9           2HB      MK8   9  15.091   8.323  -2.121
   54    HBA  MK8   9           3HB      MK8   9  16.065   9.786  -2.071
   55    HD   MK8   9           2HD      MK8   9  18.102   9.247  -4.555
   56    HDA  MK8   9           3HD      MK8   9  18.144   9.965  -2.933
   57    HE   MK8   9           HE       MK8   9  19.873   7.976  -2.202
   58    HG   MK8   9           2HG      MK8   9  17.514   7.152  -2.685
   59    HGA  MK8   9           3HG      MK8   9  16.446   7.801  -3.928
   60    HB1  MK8   9           HBA      MK8   9  18.642   9.000  -0.947
   61   HB1A  MK8   9          HGA       MK8   9  18.572   8.438   0.442
   62   HB1B  MK8   9          HDA       MK8   9  18.618   7.515  -0.739
   63    H    TYR  10           H        TYR  10  14.780   7.932   1.065
   64    HA   TYR  10           HA       TYR  10  14.449  10.674   1.975
   65    HB2  TYR  10           2HB      TYR  10  12.467   9.295   1.429
   66    HB3  TYR  10           3HB      TYR  10  12.900   8.185   2.725
   67    HD1  TYR  10           HD2      TYR  10  12.911  11.913   2.658
   68    HD2  TYR  10           HD1      TYR  10  11.216   8.380   4.315
   69    HE1  TYR  10           HE2      TYR  10  11.631  13.282   4.251
   70    HE2  TYR  10           HE1      TYR  10   9.930   9.739   5.912
   71    HH   TYR  10           HH       TYR  10   9.301  11.816   6.474
   72    H    ARG  11           H        ARG  11  16.374   8.136   2.814
   73    HA   ARG  11           HA       ARG  11  16.642   9.140   5.563
   74    HB2  ARG  11           2HB      ARG  11  15.467   6.812   5.234
   75    HB3  ARG  11           3HB      ARG  11  17.112   6.242   4.985
   76    HG2  ARG  11           2HG      ARG  11  17.721   7.208   7.189
   77    HG3  ARG  11           3HG      ARG  11  16.019   7.603   7.436
   78    HD2  ARG  11           2HD      ARG  11  15.945   4.951   6.708
   79    HD3  ARG  11           3HD      ARG  11  17.409   5.053   7.685
   80    HE   ARG  11           HE       ARG  11  15.407   6.384   9.072
   81   HH11  ARG  11          1HH1      ARG  11  16.082   3.156   7.955
   82   HH12  ARG  11          2HH1      ARG  11  15.207   2.389   9.238
   83   HH21  ARG  11          1HH2      ARG  11  14.252   5.385  10.767
   84   HH22  ARG  11          2HH2      ARG  11  14.166   3.657  10.837
   85    H    ASN  12           H        ASN  12  18.055   8.806   2.648
   86    HA   ASN  12           HA       ASN  12  20.749   8.719   3.830
   87    HB2  ASN  12           2HB      ASN  12  20.066   7.616   1.101
   88    HB3  ASN  12           3HB      ASN  12  21.595   7.473   1.964
   89   HD21  ASN  12          1HD2      ASN  12  20.061   5.337   0.902
   90   HD22  ASN  12          2HD2      ASN  12  19.574   4.337   2.224
   91    H2   MK8  13           H        MK8  13  18.514  10.115   1.440
   92    HB   MK8  13           2HB      MK8  13  18.206  10.917  -0.739
   93    HBA  MK8  13           3HB      MK8  13  18.186  12.675  -0.768
   94    HD   MK8  13           2HD      MK8  13  21.768  10.847  -1.754
   95    HDA  MK8  13           3HD      MK8  13  20.420   9.802  -1.264
   96    HE   MK8  13           HE       MK8  13  20.173  10.660  -4.115
   97    HG   MK8  13           2HG      MK8  13  19.224  11.794  -2.865
   98    HGA  MK8  13           3HG      MK8  13  20.419  12.708  -1.948
   99    HB1  MK8  13           HBA      MK8  13  21.690  12.465   1.147
  100   HB1A  MK8  13          HGA       MK8  13  21.723  11.362   0.131
  101   HB1B  MK8  13          HDA       MK8  13  21.396  12.763  -0.293
  102    H    TYR  14           H        TYR  14  17.554  11.688   1.904
  103    HA   TYR  14           HA       TYR  14  17.108  14.406   2.563
  104    HB2  TYR  14           2HB      TYR  14  15.704  11.938   2.809
  105    HB3  TYR  14           3HB      TYR  14  15.715  12.716   4.388
  106    HD1  TYR  14           HD2      TYR  14  14.781  13.191   0.836
  107    HD2  TYR  14           HD1      TYR  14  14.348  14.595   4.829
  108    HE1  TYR  14           HE2      TYR  14  12.954  14.671   0.112
  109    HE2  TYR  14           HE1      TYR  14  12.520  16.077   4.116
  110    HH   TYR  14           HH       TYR  14  11.491  16.996   2.311
  111    H    THR  15           H        THR  15  18.706  11.759   4.195
  112    HA   THR  15           HA       THR  15  18.880  13.077   6.736
  113    HB   THR  15           HB       THR  15  20.407  10.695   5.667
  114    HG1  THR  15           HG1      THR  15  18.884   9.527   6.904
  115   HG21  THR  15          1HG2      THR  15  20.689  10.276   8.189
  116   HG22  THR  15          2HG2      THR  15  20.310  11.988   8.376
  117   HG23  THR  15          3HG2      THR  15  21.717  11.494   7.436
  118    H    MET  16           H        MET  16  20.694  13.128   3.808
  119    HA   MET  16           HA       MET  16  23.105  14.153   5.043
  120    HB2  MET  16           2HB      MET  16  22.921  12.688   2.906
  121    HB3  MET  16           3HB      MET  16  22.543  14.202   2.094
  122    HG2  MET  16           2HG      MET  16  24.719  15.040   3.256
  123    HG3  MET  16           3HG      MET  16  25.085  13.320   3.373
  124    HE1  MET  16           3HE      MET  16  27.057  13.447   2.327
  125    HE2  MET  16           1HE      MET  16  26.687  12.297   1.041
  126    HE3  MET  16           2HE      MET  16  27.430  13.848   0.650
  127    H    VAL  17           H        VAL  17  20.212  15.380   3.602
  128    HA   VAL  17           HA       VAL  17  21.238  18.007   3.052
  129    HB   VAL  17           HB       VAL  17  18.374  17.065   3.253
  130   HG11  VAL  17          1HG1      VAL  17  18.140  19.138   1.676
  131   HG12  VAL  17          2HG1      VAL  17  18.181  19.352   3.427
  132   HG13  VAL  17          3HG1      VAL  17  19.629  19.655   2.466
  133   HG21  VAL  17          3HG2      VAL  17  20.326  16.439   1.348
  134   HG22  VAL  17          1HG2      VAL  17  18.586  16.179   1.226
  135   HG23  VAL  17          2HG2      VAL  17  19.303  17.662   0.597
  136    H    LEU  18           H        LEU  18  19.374  16.490   5.639
  137    HA   LEU  18           HA       LEU  18  18.929  18.925   7.070
  138    HB2  LEU  18           2HB      LEU  18  17.835  17.644   8.649
  139    HB3  LEU  18           3HB      LEU  18  17.605  16.717   7.167
  140    HG   LEU  18           HG       LEU  18  19.791  15.489   8.076
  141   HD11  LEU  18          1HD1      LEU  18  18.876  17.087  10.301
  142   HD12  LEU  18          2HD1      LEU  18  20.342  16.122  10.132
  143   HD13  LEU  18          3HD1      LEU  18  18.848  15.365  10.684
  144   HD21  LEU  18          3HD2      LEU  18  17.036  14.901   9.147
  145   HD22  LEU  18          1HD2      LEU  18  18.356  13.757   8.904
  146   HD23  LEU  18          2HD2      LEU  18  17.574  14.509   7.513
  147    H    HIS  19           H        HIS  19  21.408  16.471   7.040
  148    HA   HIS  19           HA       HIS  19  22.625  17.208   9.511
  149    HB2  HIS  19           2HB      HIS  19  23.112  15.025   8.771
  150    HB3  HIS  19           3HB      HIS  19  23.520  15.572   7.148
  151    HD1  HIS  19           HD1      HIS  19  25.857  16.793   6.884
  152    HD2  HIS  19           HD2      HIS  19  25.208  14.952  10.551
  153    HE1  HIS  19           HE1      HIS  19  28.121  16.633   7.966
  154    H    LYS  20           H        LYS  20  23.552  17.779   6.115
  155    HA   LYS  20           HA       LYS  20  25.675  19.552   6.774
  156    HB2  LYS  20           2HB      LYS  20  25.782  18.425   4.677
  157    HB3  LYS  20           3HB      LYS  20  24.187  19.000   4.209
  158    HG2  LYS  20           2HG      LYS  20  25.955  21.206   4.770
  159    HG3  LYS  20           3HG      LYS  20  26.642  20.127   3.555
  160    HD2  LYS  20           2HD      LYS  20  25.387  21.364   2.142
  161    HD3  LYS  20           3HD      LYS  20  24.099  20.279   2.672
  162    HE2  LYS  20           2HE      LYS  20  23.048  21.894   3.843
  163    HE3  LYS  20           3HE      LYS  20  24.557  22.622   4.392
  164    HZ1  LYS  20           3HZ      LYS  20  23.933  22.907   1.563
  165    HZ2  LYS  20           1HZ      LYS  20  24.631  24.013   2.636
  166    HZ3  LYS  20           2HZ      LYS  20  22.956  23.778   2.635
  Start of MODEL   20
    1    H1   ASN   1           H        ASN   1   6.833   4.874  -5.532
    2    HA   ASN   1           HA       ASN   1   6.496   3.905  -7.632
    3    HB2  ASN   1           2HB      ASN   1   9.508   3.877  -7.575
    4    HB3  ASN   1           3HB      ASN   1   8.442   4.282  -8.917
    5   HD21  ASN   1          1HD2      ASN   1  10.485   5.547  -6.724
    6   HD22  ASN   1          2HD2      ASN   1   9.867   7.157  -6.627
    7    H    SER   2           H        SER   2   9.432   2.273  -6.431
    8    HA   SER   2           HA       SER   2   8.461  -0.225  -7.599
    9    HB2  SER   2           2HB      SER   2  10.965   0.930  -7.564
   10    HB3  SER   2           3HB      SER   2  11.087  -0.291  -6.297
   11    HG   SER   2           HG       SER   2  11.102  -0.623  -8.954
   12    H    GLY   3           H        GLY   3  10.009   0.807  -4.548
   13    HA2  GLY   3           2HA      GLY   3   8.148  -0.261  -2.805
   14    HA3  GLY   3           3HA      GLY   3   9.270  -1.567  -3.159
   15    H    LEU   4           H        LEU   4   8.608   0.550  -0.872
   16    HA   LEU   4           HA       LEU   4   9.768   1.727   0.715
   17    HB2  LEU   4           2HB      LEU   4  11.369   0.431   1.860
   18    HB3  LEU   4           3HB      LEU   4  10.207  -0.704   1.177
   19    HG   LEU   4           HG       LEU   4  12.608  -0.192  -0.458
   20   HD11  LEU   4          1HD1      LEU   4  13.678  -0.212   1.684
   21   HD12  LEU   4          2HD1      LEU   4  13.953  -1.772   0.910
   22   HD13  LEU   4          3HD1      LEU   4  12.748  -1.623   2.189
   23   HD21  LEU   4          3HD2      LEU   4  12.188  -2.273  -1.237
   24   HD22  LEU   4          1HD2      LEU   4  10.580  -1.940  -0.591
   25   HD23  LEU   4          2HD2      LEU   4  11.728  -2.894   0.349
   26    H    SER   5           H        SER   5  10.324   2.603  -1.953
   27    HA   SER   5           HA       SER   5  13.186   3.186  -1.953
   28    HB2  SER   5           2HB      SER   5  12.710   2.750  -4.140
   29    HB3  SER   5           3HB      SER   5  11.020   3.226  -3.975
   30    HG   SER   5           HG       SER   5  12.772   4.609  -5.167
   31    H    PHE   6           H        PHE   6  10.143   4.659  -1.249
   32    HA   PHE   6           HA       PHE   6  11.132   7.368  -1.384
   33    HB2  PHE   6           2HB      PHE   6   8.902   7.936  -0.393
   34    HB3  PHE   6           3HB      PHE   6   8.808   7.025  -1.897
   35    HD1  PHE   6           HD1      PHE   6   8.495   6.777   1.772
   36    HD2  PHE   6           HD2      PHE   6   7.769   4.910  -1.984
   37    HE1  PHE   6           HE1      PHE   6   7.076   5.102   2.883
   38    HE2  PHE   6           HE2      PHE   6   6.348   3.233  -0.879
   39    HZ   PHE   6           HZ       PHE   6   6.000   3.328   1.557
   40    H    GLU   7           H        GLU   7  10.766   4.875   1.014
   41    HA   GLU   7           HA       GLU   7  11.196   6.676   3.239
   42    HB2  GLU   7           2HB      GLU   7   9.788   4.511   3.247
   43    HB3  GLU   7           3HB      GLU   7  11.329   3.676   3.380
   44    HG2  GLU   7           2HG      GLU   7  10.691   3.857   5.577
   45    HG3  GLU   7           3HG      GLU   7  11.734   5.265   5.384
   46    H    GLU   8           H        GLU   8  13.068   4.616   1.172
   47    HA   GLU   8           HA       GLU   8  15.373   4.558   2.905
   48    HB2  GLU   8           2HB      GLU   8  16.428   3.264   1.227
   49    HB3  GLU   8           3HB      GLU   8  14.748   2.744   1.246
   50    HG2  GLU   8           2HG      GLU   8  14.318   4.233  -0.687
   51    HG3  GLU   8           3HG      GLU   8  16.042   4.596  -0.740
   52    H2   MK8   9           H        MK8   9  14.193   6.524   0.169
   53    HB   MK8   9           2HB      MK8   9  13.976   8.248  -1.324
   54    HBA  MK8   9           3HB      MK8   9  15.038   9.649  -1.369
   55    HD   MK8   9           2HD      MK8   9  16.520   9.245  -4.225
   56    HDA  MK8   9           3HD      MK8   9  16.965   9.750  -2.583
   57    HE   MK8   9           HE       MK8   9  18.662   7.665  -2.440
   58    HG   MK8   9           2HG      MK8   9  16.115   6.994  -2.481
   59    HGA  MK8   9           3HG      MK8   9  14.895   7.850  -3.420
   60    HB1  MK8   9           HBA      MK8   9  17.773   8.527  -0.839
   61   HB1A  MK8   9          HGA       MK8   9  17.893   7.692   0.402
   62   HB1B  MK8   9          HDA       MK8   9  17.546   7.046  -0.907
   63    H    TYR  10           H        TYR  10  13.920   8.121   1.512
   64    HA   TYR  10           HA       TYR  10  14.207  10.719   2.590
   65    HB2  TYR  10           2HB      TYR  10  12.059   9.553   2.589
   66    HB3  TYR  10           3HB      TYR  10  12.705   8.326   3.672
   67    HD1  TYR  10           HD2      TYR  10  11.987  11.970   3.453
   68    HD2  TYR  10           HD1      TYR  10  12.549   8.599   5.987
   69    HE1  TYR  10           HE2      TYR  10  11.277  13.313   5.387
   70    HE2  TYR  10           HE1      TYR  10  11.839   9.933   7.929
   71    HH   TYR  10           HH       TYR  10  10.174  12.341   7.995
   72    H    ARG  11           H        ARG  11  15.923   7.876   3.159
   73    HA   ARG  11           HA       ARG  11  16.939   8.944   5.711
   74    HB2  ARG  11           2HB      ARG  11  15.600   6.707   5.711
   75    HB3  ARG  11           3HB      ARG  11  17.070   6.026   5.028
   76    HG2  ARG  11           2HG      ARG  11  17.736   5.725   7.125
   77    HG3  ARG  11           3HG      ARG  11  17.987   7.471   7.185
   78    HD2  ARG  11           2HD      ARG  11  15.900   7.843   8.202
   79    HD3  ARG  11           3HD      ARG  11  15.324   6.226   7.797
   80    HE   ARG  11           HE       ARG  11  16.299   5.452   9.709
   81   HH11  ARG  11          1HH1      ARG  11  17.704   8.534   8.904
   82   HH12  ARG  11          2HH1      ARG  11  18.628   8.642  10.366
   83   HH21  ARG  11          1HH2      ARG  11  17.510   5.583  11.638
   84   HH22  ARG  11          2HH2      ARG  11  18.517   6.962  11.920
   85    H    ASN  12           H        ASN  12  17.654   8.560   2.559
   86    HA   ASN  12           HA       ASN  12  20.528   8.545   3.104
   87    HB2  ASN  12           2HB      ASN  12  19.335   6.282   2.146
   88    HB3  ASN  12           3HB      ASN  12  19.781   7.096   0.650
   89   HD21  ASN  12          1HD2      ASN  12  20.869   5.320   3.345
   90   HD22  ASN  12          2HD2      ASN  12  22.550   5.298   2.945
   91    H2   MK8  13           H        MK8  13  18.456  10.639   2.358
   92    HB   MK8  13           2HB      MK8  13  17.580  10.491  -0.531
   93    HBA  MK8  13           3HB      MK8  13  17.277  12.217  -0.667
   94    HD   MK8  13           2HD      MK8  13  20.703  10.404  -2.252
   95    HDA  MK8  13           3HD      MK8  13  19.384   9.418  -1.590
   96    HE   MK8  13           HE       MK8  13  18.677  10.459  -4.295
   97    HG   MK8  13           2HG      MK8  13  18.096  11.597  -2.850
   98    HGA  MK8  13           3HG      MK8  13  19.490  12.356  -2.085
   99    HB1  MK8  13           HBA      MK8  13  21.197  12.186   0.684
  100   HB1A  MK8  13          HGA       MK8  13  20.932  11.354  -0.536
  101   HB1B  MK8  13          HDA       MK8  13  20.620  12.821  -0.546
  102    H    TYR  14           H        TYR  14  17.031  11.755   1.903
  103    HA   TYR  14           HA       TYR  14  16.808  14.574   2.368
  104    HB2  TYR  14           2HB      TYR  14  15.036  12.481   2.390
  105    HB3  TYR  14           3HB      TYR  14  15.235  12.806   4.109
  106    HD1  TYR  14           HD1      TYR  14  14.762  14.753   0.946
  107    HD2  TYR  14           HD2      TYR  14  13.736  14.276   5.048
  108    HE1  TYR  14           HE1      TYR  14  13.189  16.636   0.766
  109    HE2  TYR  14           HE2      TYR  14  12.160  16.157   4.878
  110    HH   TYR  14           HH       TYR  14  12.171  18.348   2.425
  111    H    THR  15           H        THR  15  18.392  11.975   3.928
  112    HA   THR  15           HA       THR  15  18.532  13.341   6.500
  113    HB   THR  15           HB       THR  15  19.682  10.688   5.614
  114    HG1  THR  15           HG1      THR  15  17.686  10.984   7.568
  115   HG21  THR  15          1HG2      THR  15  21.092  11.112   7.347
  116   HG22  THR  15          2HG2      THR  15  19.710  10.557   8.292
  117   HG23  THR  15          3HG2      THR  15  20.002  12.284   8.088
  118    H    MET  16           H        MET  16  20.382  12.929   3.624
  119    HA   MET  16           HA       MET  16  22.896  13.670   4.860
  120    HB2  MET  16           2HB      MET  16  22.569  12.088   2.842
  121    HB3  MET  16           3HB      MET  16  22.383  13.561   1.900
  122    HG2  MET  16           2HG      MET  16  24.645  14.192   3.105
  123    HG3  MET  16           3HG      MET  16  24.788  12.439   3.221
  124    HE1  MET  16           3HE      MET  16  25.075  10.925   1.686
  125    HE2  MET  16           1HE      MET  16  24.217  11.060   0.150
  126    HE3  MET  16           2HE      MET  16  25.974  11.204   0.194
  127    H    VAL  17           H        VAL  17  20.249  15.198   3.243
  128    HA   VAL  17           HA       VAL  17  21.671  17.602   2.557
  129    HB   VAL  17           HB       VAL  17  18.705  17.036   2.662
  130   HG11  VAL  17          1HG1      VAL  17  18.870  19.109   1.003
  131   HG12  VAL  17          2HG1      VAL  17  18.654  19.308   2.743
  132   HG13  VAL  17          3HG1      VAL  17  20.257  19.481   2.027
  133   HG21  VAL  17          3HG2      VAL  17  20.544  16.025   0.921
  134   HG22  VAL  17          1HG2      VAL  17  18.835  16.267   0.558
  135   HG23  VAL  17          2HG2      VAL  17  20.019  17.484   0.081
  136    H    LEU  18           H        LEU  18  19.524  16.556   5.156
  137    HA   LEU  18           HA       LEU  18  19.386  19.126   6.401
  138    HB2  LEU  18           2HB      LEU  18  18.059  18.134   8.002
  139    HB3  LEU  18           3HB      LEU  18  17.766  17.123   6.589
  140    HG   LEU  18           HG       LEU  18  19.724  15.696   7.698
  141   HD11  LEU  18          1HD1      LEU  18  19.048  15.715  10.225
  142   HD12  LEU  18          2HD1      LEU  18  18.611  17.389   9.884
  143   HD13  LEU  18          3HD1      LEU  18  20.264  16.838   9.614
  144   HD21  LEU  18          3HD2      LEU  18  17.013  15.420   8.918
  145   HD22  LEU  18          1HD2      LEU  18  18.101  14.178   8.296
  146   HD23  LEU  18          2HD2      LEU  18  17.211  15.212   7.177
  147    H    HIS  19           H        HIS  19  21.494  16.359   6.631
  148    HA   HIS  19           HA       HIS  19  22.722  17.086   9.100
  149    HB2  HIS  19           2HB      HIS  19  22.924  14.813   8.518
  150    HB3  HIS  19           3HB      HIS  19  23.457  15.189   6.882
  151    HD1  HIS  19           HD1      HIS  19  25.948  16.057   6.640
  152    HD2  HIS  19           HD2      HIS  19  24.929  14.573  10.385
  153    HE1  HIS  19           HE1      HIS  19  28.132  15.662   7.824
  154    H    LYS  20           H        LYS  20  23.828  17.298   5.717
  155    HA   LYS  20           HA       LYS  20  26.155  18.803   6.352
  156    HB2  LYS  20           2HB      LYS  20  26.172  17.533   4.335
  157    HB3  LYS  20           3HB      LYS  20  24.689  18.289   3.767
  158    HG2  LYS  20           2HG      LYS  20  26.728  20.265   4.263
  159    HG3  LYS  20           3HG      LYS  20  27.298  19.022   3.147
  160    HD2  LYS  20           2HD      LYS  20  26.274  20.322   1.609
  161    HD3  LYS  20           3HD      LYS  20  24.832  19.461   2.150
  162    HE2  LYS  20           2HE      LYS  20  23.964  21.287   3.131
  163    HE3  LYS  20           3HE      LYS  20  25.524  21.807   3.766
  164    HZ1  LYS  20           3HZ      LYS  20  24.387  22.302   1.081
  165    HZ2  LYS  20           1HZ      LYS  20  26.039  22.488   1.399
  166    HZ3  LYS  20           2HZ      LYS  20  24.906  23.433   2.226