*HEADER    VIRUS/VIRAL PROTEIN                     08-JAN-00   1DSQ              
*TITLE     STRUCTURE OF THE MMTV NUCLEOCAPSID PROTEIN (ZINC FINGER 1)            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NUCLEIC ACID BINDING PROTEIN P14;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: ZINC FINGER 1 OF NUCLEOCAPSID PROTEIN;                     
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MOUSE MAMMARY TUMOR VIRUS;                      
*SOURCE   3 ORGANISM_COMMON: VIRUS;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSE;                            
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET-3D                                    
*KEYWDS    CCHC TYPE ZINC FINGER                                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.J.KLEIN, P.E.JOHNSON, E.S.ZOLLARS, R.N.DE GUZMAN,                   
*AUTHOR   2 M.F.SUMMERS                                                          
*REVDAT   1   28-JAN-00 1DSQ    0    

#UPPER LIMITS
#----------------------------------------------------------------
# F1 RESTRAINTS  -  ZINC LIGAND RESTRAINTS
#----------------------------------------------------------------
 44 CYSZ ZN      31 CYS- CB      3.41
 44 CYSZ ZN      34 CYS- CB      3.41
# 44 CYSZ ZN      44 CYSZ CB      3.41
 44 CYSZ ZN      31 CYS- SG      2.35
 44 CYSZ ZN      34 CYS- SG      2.35
# 44 CYSZ ZN      44 CYSZ SG      2.35
 44 CYSZ ZN      39 HIS  NE2     2.05
 44 CYSZ ZN      39 HIS  ND1     4.18 
 44 CYSZ ZN      39 HIS  CG      4.18 

#-----------------------------------------------------------------
# HYDROGEN BOND RESTRAINTS
#-----------------------------------------------------------------
 31 CYS- N       36 LYS+ O       3.00
 31 CYS- HN      36 LYS+ O       2.00
 33 SER  N       31 CYS- SG      3.55
 33 SER  HN      31 CYS- SG      2.55
 34 CYS- N       31 CYS- SG      3.55
 34 CYS- HN      31 CYS- SG      2.55
 35 GLY  N       31 CYS- O       3.00
 35 GLY  HN      31 CYS- O       2.00
 36 LYS+ N       34 CYS- SG      3.55
 36 LYS+ HN      34 CYS- SG      2.55
 38 GLY  N       29 PRO  O       3.00
 38 GLY  HN      29 PRO  O       2.00
 40 ILE  N       43 ASP- OD1     3.00
 40 ILE  HN      43 ASP- OD1     2.00
 43 ASP- N       40 ILE  O       3.00
 43 ASP- HN      40 ILE  O       2.00
 44 CYSZ N       41 LYS+ O       3.00
 44 CYSZ HN      41 LYS+ O       2.00
#46 GLU- N       44 CYSZ SG      3.55 OBSERVED IN P7, UNLIKELY IN MMTV
#46 GLU- HN      44 CYSZ SG      2.55 BECAUSE OF SEQUENTIAL NOE'S
#-----------------------------------------------------------------
# SEQUENTIAL CONNECTIVITIES (HA-HN, HN-HN)  FINGER 1
#-----------------------------------------------------------------

 30 VAL  HN      29 PRO  HA      2.70
 31 CYS- HN      30 VAL  HA      2.70
 32 PHE  HN      31 CYS- HA      2.70
 32 PHE  HN      33 SER  HN      2.70
 33 SER  HN      34 CYS- HN      2.70
 34 CYS- HN      35 GLY  HN      2.70
 35 GLY  HN      36 LYS+ HN      2.70
 37 THR  HN      36 LYS+ HA      2.70
 38 GLY  HN      37 THR  HA      2.70
 38 GLY  HN      39 HIS  HN      2.70
 40 ILE  HN      39 HIS  HA      2.70 #ASSUMED (CANNOT SEE BECAUSE OF WATER)
 41 LYS+ HN      40 ILE  HA      2.70 #ASSUMED (CANNOT SEE BECAUSE OF WATER)
 41 LYS+ HN      42 ARG+ HN      5.00 #SHOULD BE STRONG, AS IN P7)
 42 ARG+ HN      43 ASP- HN      2.70
 43 ASP- HN      44 CYSZ HN      2.70
 45 LYS+ HN      44 CYSZ HA      2.70
 46 GLU- HN      45 LYS+ HA      2.70
 46 GLU- HN      47 GLU- HN      2.70
#------------------------------------------------------------------
# OTHER NOE'S OBSERVED FOR F1
#------------------------------------------------------------------

# PRO 29
 29  PRO HD3      38 GLY  HN     5.00
 29  PRO HD3      39 HIS  HN     5.00   

# VAL 30
 30  VAL HN       29 PRO  QB     3.90
 30  VAL HA       30 VAL  QG1    3.80
 30  VAL HA       30 VAL  QG2    3.80
 30  VAL HN       30 VAL  QG1    3.80
 30  VAL HN       30 VAL  HB     2.70
 30  VAL QG2      31 CYS- HN     3.80
 30  VAL QG2      35 GLY  HN     5.50
 30  VAL QG2      35 GLY  HA1    5.50
 30  VAL QG2      36 LYS+ HN     5.50
 30  VAL QG2      37 THR  QG2    5.50
 30  VAL QG2      37 THR  HA     5.50
 30  VAL HA       37 THR  HA     2.70 #ASSUMED (APPEARS TO OVERLAP W/ HOA PEAK)
 30  VAL HA       38 GLY  HN     5.00
 30  VAL HN       40 ILE  QG2    5.50 #POSSIBLY AN UNRELIABLE PEAK

# CYS- 31
 31  CYS- HN      31 CYS- HB2    2.70
 31  CYS- HN      31 CYS- HB3    2.70
 31  CYS- HA      31 CYS- HB2    3.30
 31  CYS- HA      33 SER  HN     5.00
 31  CYS- HB3     34 CYS- HN     3.30
 31  CYS- HB3     35 GLY  HN     3.30
 31  CYS- HN      35 GLY  HA1    5.00
 31  CYS- HB3     36 LYS+ HN     3.30 
 31  CYS- HN      37 THR  HA     3.30
 31  CYS- HN      37 THR  QG2    5.50
 31  CYS- HN      38 GLY  HN     5.00
 31  CYS- HN      39 HIS  HN     5.00
 31  CYS- HB2     39 HIS  HD2    5.00 #was 3.30 in p7
 31  CYS- HA      41 LYS+ HN     3.30 #was 5.00 in p7
 
# PHE 32
#32  PHE  HN      32 PHE  HB2    2.70 NON-FUNCTIONAL               
 32  PHE  HN      41 LYS+ QB     3.30
 32  PHE  HN      41 LYS+ HN     5.00   
#32  PHE  HB3     33 SER  HN     3.30 NON-FUNCTIONAL
#32  PHE  HB2     33 SER  HN     3.30 NON-FUNCTIONAL

# SER 33
#33  SER  HN      33 SER  HB2    2.70 #COULD BE HB3, NON-FUNCTIONAL
#33  SER  HB3     34 CYS- HN     2.70 #COULD BE HB2, NON-FUNCTIONAL
 33  SER  HN      35 GLY  HN     3.30
 33  SER  HN      41 LYS+ QB     3.90
 
# CYS- 34
 34  CYS- HN      34 CYS- HB3    3.30
 34  CYS- HA      34 CYS- HB2    3.30
 34  CYS- HA      34 CYS- HB3    3.30
 34  CYS- HA      36 LYS+ HN     5.00
 34  CYS- HN      36 LYS+ HN     5.00
 34  CYS- HB2     35 GLY  HN     5.00
 34  CYS- HB3     35 GLY  HN     5.00
 34  CYS- HA      36 LYS+ HN     5.00
 34  CYS- HB2     36 LYS+ HN     5.00
 34  CYS- HB3     36 LYS+ HN     5.00
 

# GLY 35
 35  GLY  HN      35 GLY  HA1    2.70
#35  GLY  HN      35 GLY  HA2    2.70 SPIN DIFFUSION
 
# LYS 36
#36  LYS+ HN      36 LYS+ QB     3.20 NON-FUNCTIONAL
 36  LYS+ HA      37 THR  QG2    3.80
#36  LYS+ QB     37 THR  HN      3.20 NON-FUNCTIONAL  
 36  LYS+ HB3     39 HIS  HE1    3.30  

# THR 37
 37  THR  HN      37 THR  QG2    3.80
 37  THR  HN      37 THR  HB     5.00
 37  THR  HA      39 HIS  HN     5.00

# GLY 38
 38  GLY  HN      38 GLY  HA1    3.30  #CHECK IF ITS HA2

# HIS 39
 39  HIS  HN      39 HIS  QB     3.90
 39  HIS  HD2     39 HIS  QB     3.90
 39  HIS  QB      40 ILE  HN     3.30
#39  HIS  HD2     40 ILE  HN     3.30 SPIN DIFFUSION THRU 39 QB
 39  HIS  HD2     43 ASP- HN     5.00 #LOOKS MEDIUM (SPIN DIFFUSION)
 39  HIS  QB      43 ASP- HN     5.60
 39  HIS  HD2     44 CYSZ HA     3.30
 39  HIS  HD2     44 CYSZ HB2    3.30
 39  HIS  HD2     44 CYSZ HN     3.30 
 
# ILE 40
 40  ILE  HN      40 ILE  QD1    3.20 
#40  ILE  HB      41 LYS+ HN     3.30 UNRELIABLE, SAME SHIFT AS 41 BETA
 40  ILE  QG2     41 LYS+ HN     3.80
 40  ILE  QG2     42 ARG+ HN     3.80
 40  ILE  HN      43 ASP- HB3    3.30
 40  ILE  QG2     43 ASP- HN     3.80
 40  ILE  HB      43 ASP- HN     5.00
#40  ILE  HN      44 CYSZ HB3    3.30 NOT SURE WHAT THIS NOE IS????
 

# LYS 41
#41  LYS+ HN      41 LYS+ QB     3.30 NON-FUNCTIONAL

# ARG 42
#42  ARG+ HN      42 ARG+ HB2    3.30 #MAY BE HB3  NON-FUNCTIONAL
#42  ARG+ HB3     43 ASP- HN     3.30 #MAY BE HB2  NON-FUNCTIONAL
 42  ARG+ HA      44 CYSZ HN     5.00

# ASP 43
 43  ASP- HN      43 ASP- HB2    2.70 
 43  ASP- HB3     44 CYSZ HN     5.00 
#43  ASP- HN      44 CYSZ HB2    5.00 DOESN'T SEEM RIGHT
   
# CYSZ 44
 44  CYSZ HN      44 CYSZ HB2    2.70
 44  CYSZ HN      44 CYSZ HB3    2.70
 44  CYSZ HA      44 CYSZ HB2    2.70
 44  CYSZ HB2     45 LYS+ HN     5.00
 44  CYSZ HA      46 GLU- HN     5.00

# LYS+ 45
 45  LYS+ HN      45 LYS+ QB     3.90
 
# GLU- 46
 46  GLU- HG2     47 GLU- HN     3.30

# GLU- 47

#LOWER LIMITS

  44 CYSZ ZN     39 HIS  ND1     4.18
  44 CYSZ ZN     39 HIS  CG      4.18    
  44 CYSZ ZN     31 CYS- CB      3.31
  44 CYSZ ZN     34 CYS- CB      3.31 
#  44 CYSZ ZN     44 CYSZ CB      3.31 
  44 CYSZ ZN     31 CYS- SG      2.25
  44 CYSZ ZN     34 CYS- SG      2.25
 # 44 CYSZ ZN     44 CYSZ SG      2.25
  44 CYSZ ZN     39 HIS  NE2     1.95

  31 CYS- N      36 LYS+ O       2.70
  31 CYS- HN     36 LYS+ O       1.80
  35 GLY  N      31 CYS- O       2.70
  35 GLY  HN     31 CYS- O       1.80
  40 ILE  N      43 ASP- OD1     2.70
  40 ILE  HN     43 ASP- OD1     1.80
  43 ASP- N      40 ILE  O       2.70
  43 ASP- HN     40 ILE  O       1.80
  33 SER  N      31 CYS- SG      3.25
  33 SER  HN     31 CYS- SG      2.25
  36 LYS+ N      34 CYS- SG      3.25
  36 LYS+ HN     34 CYS- SG      2.25
  34 CYS- N      31 CYS- SG      3.25
  34 CYS- HN     31 CYS- SG      2.25
  29 PRO  O      38 GLY  N       2.70
  29 PRO  O      38 GLY  HN      1.80
 # 46 GLU- N      44 CYSZ SG      3.25
 # 46 GLU- HN     44 CYSZ SG      2.25
  44 CYSZ N      41 LYS+ O       2.70
  44 CYSZ HN     41 LYS+ O       1.80 
                                            

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   2.270   0.561  -0.275
    3   1HB   LYS  27          2HB       LYS  27   2.373  -1.319  -1.816
    4   2HB   LYS  27          3HB       LYS  27   1.771  -1.834  -0.253
    5   1HG   LYS  27          2HG       LYS  27  -0.241  -2.471  -1.118
    6   2HG   LYS  27          3HG       LYS  27  -0.422  -0.976  -2.014
    7   1HD   LYS  27          2HD       LYS  27   0.535  -1.839  -3.941
    8   2HD   LYS  27          3HD       LYS  27   1.649  -2.868  -3.061
    9   1HE   LYS  27          2HE       LYS  27  -0.540  -4.194  -2.360
   10   2HE   LYS  27          3HE       LYS  27  -1.264  -3.379  -3.731
   11   1HZ   LYS  27          1HZ       LYS  27   1.262  -4.451  -4.389
   12   2HZ   LYS  27          2HZ       LYS  27   0.268  -5.614  -3.817
   13   3HZ   LYS  27          3HZ       LYS  27  -0.186  -4.710  -5.099
   14    H    GLY  28           HN       GLY  28   2.955   1.785  -2.014
   15   1HA   GLY  28          1HA       GLY  28   0.982   2.469  -4.073
   16   2HA   GLY  28          2HA       GLY  28   1.657   3.766  -3.106
   17    HA   PRO  29           HA       PRO  29   4.577   3.273  -6.482
   18   1HB   PRO  29          2HB       PRO  29   4.963   5.934  -6.968
   19   2HB   PRO  29          3HB       PRO  29   3.760   4.972  -7.803
   20   1HG   PRO  29          2HG       PRO  29   3.373   6.967  -5.655
   21   2HG   PRO  29          3HG       PRO  29   2.193   6.321  -6.779
   22   1HD   PRO  29          2HD       PRO  29   2.506   5.607  -4.018
   23   2HD   PRO  29          3HD       PRO  29   1.404   4.880  -5.171
   24    H    VAL  30           HN       VAL  30   6.634   2.740  -6.132
   25    HA   VAL  30           HA       VAL  30   7.825   4.012  -3.798
   26    HB   VAL  30           HB       VAL  30   7.778   1.580  -3.924
   27   1HG1  VAL  30          1HG1      VAL  30   9.192   2.035  -6.551
   28   2HG1  VAL  30          2HG1      VAL  30   9.397   0.515  -5.645
   29   3HG1  VAL  30          3HG1      VAL  30   7.778   1.013  -6.194
   30   1HG2  VAL  30          1HG2      VAL  30   9.961   1.208  -3.183
   31   2HG2  VAL  30          2HG2      VAL  30  10.660   2.366  -4.342
   32   3HG2  VAL  30          3HG2      VAL  30   9.742   2.958  -2.935
   33    H    CYS  31           HN       CYS  31   9.596   5.369  -3.890
   34    HA   CYS  31           HA       CYS  31  10.263   6.289  -6.554
   35   1HB   CYS  31          2HB       CYS  31   9.641   7.938  -4.811
   36   2HB   CYS  31          3HB       CYS  31  11.014   7.439  -3.845
   37    H    PHE  32           HN       PHE  32  11.976   5.302  -7.566
   38    HA   PHE  32           HA       PHE  32  13.877   3.832  -5.980
   39   1HB   PHE  32          2HB       PHE  32  12.707   3.661  -8.526
   40   2HB   PHE  32          3HB       PHE  32  14.285   4.316  -8.915
   41    HD1  PHE  32           HD1      PHE  32  12.619   1.496  -7.166
   42    HD2  PHE  32           HD2      PHE  32  16.161   2.915  -9.024
   43    HE1  PHE  32           HE1      PHE  32  13.604  -0.809  -7.047
   44    HE2  PHE  32           HE2      PHE  32  17.146   0.609  -8.905
   45    HZ   PHE  32           HZ       PHE  32  15.857  -1.225  -7.918
   46    H    SER  33           HN       SER  33  13.610   6.998  -6.212
   47    HA   SER  33           HA       SER  33  16.384   7.431  -6.982
   48   1HB   SER  33          2HB       SER  33  14.041   8.806  -7.697
   49   2HB   SER  33          3HB       SER  33  14.775   9.845  -6.493
   50    HG   SER  33           HG       SER  33  16.845   9.299  -7.900
   51    H    CYS  34           HN       CYS  34  13.859   8.170  -4.496
   52    HA   CYS  34           HA       CYS  34  16.014   8.980  -2.696
   53   1HB   CYS  34          2HB       CYS  34  14.177   9.973  -1.315
   54   2HB   CYS  34          3HB       CYS  34  14.368  10.706  -2.896
   55    H    GLY  35           HN       GLY  35  13.286   6.741  -3.286
   56   1HA   GLY  35          1HA       GLY  35  13.249   4.553  -2.491
   57   2HA   GLY  35          2HA       GLY  35  14.319   4.992  -1.175
   58    H    LYS  36           HN       LYS  36  11.568   7.080  -2.012
   59    HA   LYS  36           HA       LYS  36  10.346   6.301   0.534
   60   1HB   LYS  36          2HB       LYS  36  10.975   8.824  -0.642
   61   2HB   LYS  36          3HB       LYS  36   9.229   8.705  -0.557
   62   1HG   LYS  36          2HG       LYS  36  10.688   7.747   1.871
   63   2HG   LYS  36          3HG       LYS  36  10.821   9.465   1.549
   64   1HD   LYS  36          2HD       LYS  36   8.142   9.158   1.142
   65   2HD   LYS  36          3HD       LYS  36   8.400   7.850   2.278
   66   1HE   LYS  36          2HE       LYS  36   9.334  10.718   2.766
   67   2HE   LYS  36          3HE       LYS  36   7.811  10.081   3.353
   68   1HZ   LYS  36          1HZ       LYS  36  10.388   8.822   3.965
   69   2HZ   LYS  36          2HZ       LYS  36   9.702   9.952   4.923
   70   3HZ   LYS  36          3HZ       LYS  36   8.945   8.528   4.673
   71    H    THR  37           HN       THR  37   7.761   7.066   0.264
   72    HA   THR  37           HA       THR  37   6.819   5.587  -2.103
   73    HB   THR  37           HB       THR  37   5.290   4.382  -0.705
   74    HG1  THR  37           HG1      THR  37   4.616   6.252   0.545
   75   1HG2  THR  37          1HG2      THR  37   6.616   3.329   1.004
   76   2HG2  THR  37          2HG2      THR  37   7.793   3.810  -0.240
   77   3HG2  THR  37          3HG2      THR  37   7.609   4.788   1.235
   78    H    GLY  38           HN       GLY  38   4.906   6.296  -3.085
   79   1HA   GLY  38          1HA       GLY  38   2.948   7.727  -2.906
   80   2HA   GLY  38          2HA       GLY  38   3.954   8.925  -2.116
   81    H    HIS  39           HN       HIS  39   5.759   7.288  -4.527
   82    HA   HIS  39           HA       HIS  39   4.864   8.529  -6.840
   83   1HB   HIS  39          2HB       HIS  39   6.412  10.352  -7.132
   84   2HB   HIS  39          3HB       HIS  39   5.455  10.617  -5.688
   85    HD1  HIS  39           HD1      HIS  39   6.829   9.519  -3.398
   86    HD2  HIS  39           HD2      HIS  39   9.030  10.928  -6.679
   87    HE1  HIS  39           HE1      HIS  39   9.183   9.992  -2.530
   88    H    ILE  40           HN       ILE  40   6.330   8.100  -8.668
   89    HA   ILE  40           HA       ILE  40   8.130   5.901  -7.990
   90    HB   ILE  40           HB       ILE  40   6.814   6.724 -10.579
   91   1HG1  ILE  40          2HG1      ILE  40   6.079   4.121  -9.887
   92   2HG1  ILE  40          3HG1      ILE  40   6.030   4.991  -8.367
   93   1HG2  ILE  40          1HG2      ILE  40   7.712   4.453 -11.345
   94   2HG2  ILE  40          2HG2      ILE  40   8.863   5.808 -11.255
   95   3HG2  ILE  40          3HG2      ILE  40   8.841   4.573  -9.974
   96   1HD1  ILE  40          1HD1      ILE  40   3.914   4.999  -9.952
   97   2HD1  ILE  40          2HD1      ILE  40   4.386   6.496  -9.112
   98   3HD1  ILE  40          3HD1      ILE  40   4.810   6.264 -10.825
   99    H    LYS  41           HN       LYS  41  10.208   5.754  -9.247
  100    HA   LYS  41           HA       LYS  41  11.789   7.933  -8.790
  101   1HB   LYS  41          2HB       LYS  41  12.994   6.012  -9.063
  102   2HB   LYS  41          3HB       LYS  41  12.016   5.438 -10.399
  103   1HG   LYS  41          2HG       LYS  41  14.190   6.056 -11.289
  104   2HG   LYS  41          3HG       LYS  41  13.028   7.233 -11.864
  105   1HD   LYS  41          2HD       LYS  41  13.705   8.820 -10.081
  106   2HD   LYS  41          3HD       LYS  41  14.812   7.635  -9.416
  107   1HE   LYS  41          2HE       LYS  41  15.387   7.914 -12.238
  108   2HE   LYS  41          3HE       LYS  41  15.292   9.519 -11.542
  109   1HZ   LYS  41          1HZ       LYS  41  17.251   7.517 -11.139
  110   2HZ   LYS  41          2HZ       LYS  41  17.326   9.118 -10.822
  111   3HZ   LYS  41          3HZ       LYS  41  16.688   8.096  -9.719
  112    H    ARG  42           HN       ARG  42  10.297   6.920 -11.942
  113    HA   ARG  42           HA       ARG  42  11.272   9.037 -13.377
  114   1HB   ARG  42          2HB       ARG  42  10.031   6.907 -14.188
  115   2HB   ARG  42          3HB       ARG  42   8.539   7.754 -13.833
  116   1HG   ARG  42          2HG       ARG  42   8.807   8.336 -16.073
  117   2HG   ARG  42          3HG       ARG  42   9.618   9.689 -15.311
  118   1HD   ARG  42          2HD       ARG  42  11.660   9.080 -16.143
  119   2HD   ARG  42          3HD       ARG  42  11.437   7.399 -15.705
  120    HE   ARG  42           HE       ARG  42  10.949   8.572 -18.308
  121   1HH1  ARG  42          2HH2      ARG  42   9.815   6.056 -16.125
  122   2HH1  ARG  42          1HH2      ARG  42   9.184   5.061 -17.394
  123   1HH2  ARG  42          2HH1      ARG  42  10.116   7.260 -19.983
  124   2HH2  ARG  42          1HH1      ARG  42   9.356   5.751 -19.603
  125    H    ASP  43           HN       ASP  43   8.559   8.794 -11.102
  126    HA   ASP  43           HA       ASP  43   7.311  11.174 -11.989
  127   1HB   ASP  43          2HB       ASP  43   7.038   9.804  -9.277
  128   2HB   ASP  43          3HB       ASP  43   5.880  10.891 -10.021
  129    H    CYS  44           HN       CYS  44   9.912  10.232  -9.792
  130    HA   CYS  44           HA       CYS  44   9.805  12.625  -8.234
  131   1HB   CYS  44          2HB       CYS  44  10.701  10.271  -7.549
  132   2HB   CYS  44          3HB       CYS  44  12.177  10.767  -8.352
  133    H    LYS  45           HN       LYS  45  10.749  14.570  -8.786
  134    HA   LYS  45           HA       LYS  45  11.664  16.067 -10.167
  135   1HB   LYS  45          2HB       LYS  45  14.131  15.849 -10.321
  136   2HB   LYS  45          3HB       LYS  45  13.506  15.585  -8.704
  137   1HG   LYS  45          2HG       LYS  45  13.640  13.127  -9.022
  138   2HG   LYS  45          3HG       LYS  45  14.174  13.347 -10.676
  139   1HD   LYS  45          2HD       LYS  45  16.324  13.818 -10.052
  140   2HD   LYS  45          3HD       LYS  45  15.817  14.865  -8.741
  141   1HE   LYS  45          2HE       LYS  45  15.340  11.915  -8.383
  142   2HE   LYS  45          3HE       LYS  45  17.004  12.463  -8.312
  143   1HZ   LYS  45          1HZ       LYS  45  16.031  14.223  -6.740
  144   2HZ   LYS  45          2HZ       LYS  45  14.782  13.184  -6.575
  145   3HZ   LYS  45          3HZ       LYS  45  16.294  12.715  -6.174
  146    H    GLU  46           HN       GLU  46  10.036  15.034 -11.819
  147    HA   GLU  46           HA       GLU  46  11.265  13.501 -13.864
  148   1HB   GLU  46          2HB       GLU  46   9.059  13.854 -15.039
  149   2HB   GLU  46          3HB       GLU  46   8.911  13.161 -13.436
  150   1HG   GLU  46          2HG       GLU  46   8.000  15.106 -12.515
  151   2HG   GLU  46          3HG       GLU  46   8.825  16.162 -13.644
  152    H    GLU  47           HN       GLU  47  10.633  16.937 -13.202
  153    HA   GLU  47           HA       GLU  47  11.720  17.539 -15.841
  154   1HB   GLU  47          2HB       GLU  47  10.589  19.715 -15.682
  155   2HB   GLU  47          3HB       GLU  47   9.432  18.417 -15.458
  156   1HG   GLU  47          2HG       GLU  47   9.190  18.834 -13.154
  157   2HG   GLU  47          3HG       GLU  47  10.774  19.569 -13.009
  Start of MODEL    2
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   1.409   1.191  -1.225
    3   1HB   LYS  27          2HB       LYS  27   2.605  -0.896   0.610
    4   2HB   LYS  27          3HB       LYS  27   3.414  -0.338  -0.840
    5   1HG   LYS  27          2HG       LYS  27   2.408   1.922   0.745
    6   2HG   LYS  27          3HG       LYS  27   3.459   0.897   1.702
    7   1HD   LYS  27          2HD       LYS  27   4.840   1.059  -0.717
    8   2HD   LYS  27          3HD       LYS  27   4.121   2.653  -0.594
    9   1HE   LYS  27          2HE       LYS  27   5.076   2.131   2.013
   10   2HE   LYS  27          3HE       LYS  27   6.322   1.482   0.966
   11   1HZ   LYS  27          1HZ       LYS  27   6.946   3.616   0.968
   12   2HZ   LYS  27          2HZ       LYS  27   5.852   3.766  -0.236
   13   3HZ   LYS  27          3HZ       LYS  27   5.457   4.208   1.285
   14    H    GLY  28           HN       GLY  28  -0.679   0.326  -2.353
   15   1HA   GLY  28          1HA       GLY  28   0.160  -1.978  -3.927
   16   2HA   GLY  28          2HA       GLY  28  -1.330  -2.158  -3.021
   17    HA   PRO  29           HA       PRO  29  -3.434   0.113  -6.058
   18   1HB   PRO  29          2HB       PRO  29  -5.410   1.395  -4.672
   19   2HB   PRO  29          3HB       PRO  29  -5.489  -0.302  -5.107
   20   1HG   PRO  29          2HG       PRO  29  -4.935   0.912  -2.469
   21   2HG   PRO  29          3HG       PRO  29  -5.433  -0.726  -2.840
   22   1HD   PRO  29          2HD       PRO  29  -2.793   0.146  -2.134
   23   2HD   PRO  29          3HD       PRO  29  -3.269  -1.470  -2.618
   24    H    VAL  30           HN       VAL  30  -3.055   1.809  -7.354
   25    HA   VAL  30           HA       VAL  30  -1.898   4.101  -5.956
   26    HB   VAL  30           HB       VAL  30  -0.569   2.968  -7.684
   27   1HG1  VAL  30          1HG1      VAL  30  -1.379   2.348  -9.673
   28   2HG1  VAL  30          2HG1      VAL  30  -2.989   2.827  -9.087
   29   3HG1  VAL  30          3HG1      VAL  30  -1.995   3.984 -10.006
   30   1HG2  VAL  30          1HG2      VAL  30  -0.388   5.439  -7.203
   31   2HG2  VAL  30          2HG2      VAL  30   0.181   4.937  -8.812
   32   3HG2  VAL  30          3HG2      VAL  30  -1.408   5.722  -8.634
   33    H    CYS  31           HN       CYS  31  -2.802   6.150  -6.066
   34    HA   CYS  31           HA       CYS  31  -5.516   6.189  -7.087
   35   1HB   CYS  31          2HB       CYS  31  -5.079   6.951  -4.769
   36   2HB   CYS  31          3HB       CYS  31  -4.044   8.226  -5.382
   37    H    PHE  32           HN       PHE  32  -5.782   6.865  -9.185
   38    HA   PHE  32           HA       PHE  32  -3.684   8.386 -10.440
   39   1HB   PHE  32          2HB       PHE  32  -5.818   6.557 -11.117
   40   2HB   PHE  32          3HB       PHE  32  -6.196   8.061 -11.934
   41    HD1  PHE  32           HD1      PHE  32  -4.714   5.031 -12.427
   42    HD2  PHE  32           HD2      PHE  32  -3.890   9.154 -13.003
   43    HE1  PHE  32           HE1      PHE  32  -3.088   4.451 -14.249
   44    HE2  PHE  32           HE2      PHE  32  -2.264   8.574 -14.825
   45    HZ   PHE  32           HZ       PHE  32  -1.882   6.229 -15.426
   46    H    SER  33           HN       SER  33  -5.759   9.411  -8.250
   47    HA   SER  33           HA       SER  33  -6.709  11.662  -9.833
   48   1HB   SER  33          2HB       SER  33  -8.152  10.056  -8.164
   49   2HB   SER  33          3HB       SER  33  -7.652  11.282  -7.017
   50    HG   SER  33           HG       SER  33  -8.704  12.130  -9.539
   51    H    CYS  34           HN       CYS  34  -5.076  10.701  -6.750
   52    HA   CYS  34           HA       CYS  34  -4.177  13.469  -6.481
   53   1HB   CYS  34          2HB       CYS  34  -3.613  12.822  -4.132
   54   2HB   CYS  34          3HB       CYS  34  -5.323  12.742  -4.508
   55    H    GLY  35           HN       GLY  35  -3.242  10.034  -6.832
   56   1HA   GLY  35          1HA       GLY  35  -1.300   9.355  -7.918
   57   2HA   GLY  35          2HA       GLY  35  -0.535  10.887  -7.549
   58    H    LYS  36           HN       LYS  36  -2.376   9.169  -5.044
   59    HA   LYS  36           HA       LYS  36   0.160   8.692  -3.661
   60   1HB   LYS  36          2HB       LYS  36  -2.240   9.922  -2.856
   61   2HB   LYS  36          3HB       LYS  36  -2.220   8.376  -2.033
   62   1HG   LYS  36          2HG       LYS  36   0.306   8.983  -1.504
   63   2HG   LYS  36          3HG       LYS  36  -0.189  10.622  -1.881
   64   1HD   LYS  36          2HD       LYS  36  -2.042   9.167  -0.056
   65   2HD   LYS  36          3HD       LYS  36  -0.442   9.435   0.604
   66   1HE   LYS  36          2HE       LYS  36  -1.968  11.704  -0.725
   67   2HE   LYS  36          3HE       LYS  36  -2.269  11.288   0.949
   68   1HZ   LYS  36          1HZ       LYS  36   0.417  11.378   0.795
   69   2HZ   LYS  36          2HZ       LYS  36  -0.028  12.600  -0.192
   70   3HZ   LYS  36          3HZ       LYS  36  -0.537  12.578   1.359
   71    H    THR  37           HN       THR  37  -0.416   6.727  -1.893
   72    HA   THR  37           HA       THR  37  -1.397   4.508  -3.562
   73    HB   THR  37           HB       THR  37   0.515   3.206  -2.918
   74    HG1  THR  37           HG1      THR  37   0.811   5.429  -1.026
   75   1HG2  THR  37          1HG2      THR  37   2.522   4.646  -3.327
   76   2HG2  THR  37          2HG2      THR  37   1.243   4.984  -4.517
   77   3HG2  THR  37          3HG2      THR  37   1.508   6.097  -3.154
   78    H    GLY  38           HN       GLY  38  -2.564   2.879  -2.537
   79   1HA   GLY  38          1HA       GLY  38  -3.158   1.847  -0.412
   80   2HA   GLY  38          2HA       GLY  38  -3.242   3.452   0.285
   81    H    HIS  39           HN       HIS  39  -4.335   3.421  -2.990
   82    HA   HIS  39           HA       HIS  39  -6.918   2.460  -2.684
   83   1HB   HIS  39          2HB       HIS  39  -8.236   4.459  -2.435
   84   2HB   HIS  39          3HB       HIS  39  -7.168   4.287  -1.057
   85    HD1  HIS  39           HD1      HIS  39  -4.671   5.680  -1.647
   86    HD2  HIS  39           HD2      HIS  39  -8.302   7.057  -3.232
   87    HE1  HIS  39           HE1      HIS  39  -4.306   8.133  -2.241
   88    H    ILE  40           HN       ILE  40  -8.217   2.848  -4.639
   89    HA   ILE  40           HA       ILE  40  -6.463   3.580  -6.859
   90    HB   ILE  40           HB       ILE  40  -8.996   1.945  -6.718
   91   1HG1  ILE  40          2HG1      ILE  40  -6.930   0.432  -7.813
   92   2HG1  ILE  40          3HG1      ILE  40  -6.146   1.324  -6.527
   93   1HG2  ILE  40          1HG2      ILE  40  -8.439   1.431  -9.140
   94   2HG2  ILE  40          2HG2      ILE  40  -9.109   3.045  -8.804
   95   3HG2  ILE  40          3HG2      ILE  40  -7.364   2.848  -9.095
   96   1HD1  ILE  40          1HD1      ILE  40  -8.809  -0.046  -6.036
   97   2HD1  ILE  40          2HD1      ILE  40  -7.280  -0.953  -5.936
   98   3HD1  ILE  40          3HD1      ILE  40  -7.568   0.429  -4.851
   99    H    LYS  41           HN       LYS  41  -7.522   4.756  -8.728
  100    HA   LYS  41           HA       LYS  41  -8.436   7.204  -7.922
  101   1HB   LYS  41          2HB       LYS  41  -9.141   7.479 -10.307
  102   2HB   LYS  41          3HB       LYS  41  -7.496   6.916 -10.090
  103   1HG   LYS  41          2HG       LYS  41  -8.749   4.502 -10.218
  104   2HG   LYS  41          3HG       LYS  41  -9.881   5.445 -11.166
  105   1HD   LYS  41          2HD       LYS  41  -7.783   6.315 -12.461
  106   2HD   LYS  41          3HD       LYS  41  -6.921   4.995 -11.699
  107   1HE   LYS  41          2HE       LYS  41  -9.454   4.040 -12.810
  108   2HE   LYS  41          3HE       LYS  41  -8.527   4.871 -14.043
  109   1HZ   LYS  41          1HZ       LYS  41  -7.718   2.563 -12.441
  110   2HZ   LYS  41          2HZ       LYS  41  -7.766   2.704 -14.068
  111   3HZ   LYS  41          3HZ       LYS  41  -6.610   3.479 -13.214
  112    H    ARG  42           HN       ARG  42 -10.411   4.437  -9.204
  113    HA   ARG  42           HA       ARG  42 -12.824   5.684  -8.921
  114   1HB   ARG  42          2HB       ARG  42 -11.871   2.839  -9.067
  115   2HB   ARG  42          3HB       ARG  42 -13.505   3.066  -8.474
  116   1HG   ARG  42          2HG       ARG  42 -13.805   4.641 -10.562
  117   2HG   ARG  42          3HG       ARG  42 -12.355   3.867 -11.170
  118   1HD   ARG  42          2HD       ARG  42 -13.560   2.058 -11.825
  119   2HD   ARG  42          3HD       ARG  42 -14.105   1.792 -10.180
  120    HE   ARG  42           HE       ARG  42 -15.654   3.934 -11.152
  121   1HH1  ARG  42          2HH2      ARG  42 -15.118   0.561 -12.002
  122   2HH1  ARG  42          1HH2      ARG  42 -16.700   0.346 -12.673
  123   1HH2  ARG  42          2HH1      ARG  42 -17.742   3.649 -12.037
  124   2HH2  ARG  42          1HH1      ARG  42 -18.203   2.114 -12.692
  125    H    ASP  43           HN       ASP  43 -10.687   4.187  -6.525
  126    HA   ASP  43           HA       ASP  43 -12.707   3.891  -4.565
  127   1HB   ASP  43          2HB       ASP  43  -9.679   4.041  -4.196
  128   2HB   ASP  43          3HB       ASP  43 -10.826   3.369  -3.054
  129    H    CYS  44           HN       CYS  44 -10.432   6.382  -5.675
  130    HA   CYS  44           HA       CYS  44 -10.602   7.939  -3.287
  131   1HB   CYS  44          2HB       CYS  44  -8.667   7.849  -5.024
  132   2HB   CYS  44          3HB       CYS  44  -9.640   8.971  -5.955
  133    H    LYS  45           HN       LYS  45 -12.516   8.947  -2.771
  134    HA   LYS  45           HA       LYS  45 -13.762  10.598  -4.771
  135   1HB   LYS  45          2HB       LYS  45 -15.964   9.591  -4.616
  136   2HB   LYS  45          3HB       LYS  45 -14.808   8.426  -5.231
  137   1HG   LYS  45          2HG       LYS  45 -15.341   7.006  -3.550
  138   2HG   LYS  45          3HG       LYS  45 -14.763   8.174  -2.379
  139   1HD   LYS  45          2HD       LYS  45 -16.958   8.065  -1.665
  140   2HD   LYS  45          3HD       LYS  45 -17.161   9.313  -2.879
  141   1HE   LYS  45          2HE       LYS  45 -18.810   7.900  -3.648
  142   2HE   LYS  45          3HE       LYS  45 -17.470   7.136  -4.478
  143   1HZ   LYS  45          1HZ       LYS  45 -17.261   5.803  -2.331
  144   2HZ   LYS  45          2HZ       LYS  45 -18.788   6.291  -2.019
  145   3HZ   LYS  45          3HZ       LYS  45 -18.468   5.420  -3.363
  146    H    GLU  46           HN       GLU  46 -12.513  11.844  -2.953
  147    HA   GLU  46           HA       GLU  46 -14.473  12.999  -1.355
  148   1HB   GLU  46          2HB       GLU  46 -13.522  12.412   0.902
  149   2HB   GLU  46          3HB       GLU  46 -14.291  11.062   0.092
  150   1HG   GLU  46          2HG       GLU  46 -11.999  10.349  -0.758
  151   2HG   GLU  46          3HG       GLU  46 -11.291  11.621   0.219
  152    H    GLU  47           HN       GLU  47 -10.946  12.251  -1.671
  153    HA   GLU  47           HA       GLU  47 -10.336  14.888  -2.279
  154   1HB   GLU  47          2HB       GLU  47 -10.818  15.176   0.188
  155   2HB   GLU  47          3HB       GLU  47  -9.498  14.079   0.539
  156   1HG   GLU  47          2HG       GLU  47  -7.858  15.577  -0.402
  157   2HG   GLU  47          3HG       GLU  47  -9.086  16.557  -1.181
  Start of MODEL    3
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   1.244  -0.762  -1.175
    3   1HB   LYS  27          2HB       LYS  27   1.919   1.187  -2.565
    4   2HB   LYS  27          3HB       LYS  27   0.186   1.025  -2.366
    5   1HG   LYS  27          2HG       LYS  27   0.040   3.073  -1.402
    6   2HG   LYS  27          3HG       LYS  27   1.236   2.645  -0.194
    7   1HD   LYS  27          2HD       LYS  27   2.907   3.760  -1.284
    8   2HD   LYS  27          3HD       LYS  27   2.456   3.095  -2.842
    9   1HE   LYS  27          2HE       LYS  27   1.116   4.896  -3.382
   10   2HE   LYS  27          3HE       LYS  27   0.529   5.090  -1.743
   11   1HZ   LYS  27          1HZ       LYS  27   2.603   6.455  -3.005
   12   2HZ   LYS  27          2HZ       LYS  27   1.974   6.713  -1.520
   13   3HZ   LYS  27          3HZ       LYS  27   3.219   5.675  -1.709
   14    H    GLY  28           HN       GLY  28   2.988  -1.703  -0.213
   15   1HA   GLY  28          1HA       GLY  28   5.222  -1.720   0.307
   16   2HA   GLY  28          2HA       GLY  28   5.228   0.026   0.442
   17    HA   PRO  29           HA       PRO  29   5.252  -1.568   4.680
   18   1HB   PRO  29          2HB       PRO  29   7.411  -0.155   5.581
   19   2HB   PRO  29          3HB       PRO  29   7.527  -1.789   4.959
   20   1HG   PRO  29          2HG       PRO  29   8.314   0.748   3.662
   21   2HG   PRO  29          3HG       PRO  29   8.798  -0.887   3.258
   22   1HD   PRO  29          2HD       PRO  29   6.877   0.726   1.868
   23   2HD   PRO  29          3HD       PRO  29   7.276  -0.948   1.536
   24    H    VAL  30           HN       VAL  30   3.909  -0.823   6.204
   25    HA   VAL  30           HA       VAL  30   3.352   2.036   5.975
   26    HB   VAL  30           HB       VAL  30   1.504   0.451   5.709
   27   1HG1  VAL  30          1HG1      VAL  30   2.666  -0.713   8.130
   28   2HG1  VAL  30          2HG1      VAL  30   0.911  -0.448   8.269
   29   3HG1  VAL  30          3HG1      VAL  30   1.559  -1.427   6.932
   30   1HG2  VAL  30          1HG2      VAL  30  -0.012   1.442   7.462
   31   2HG2  VAL  30          2HG2      VAL  30   1.427   2.204   8.184
   32   3HG2  VAL  30          3HG2      VAL  30   0.930   2.627   6.527
   33    H    CYS  31           HN       CYS  31   3.662   3.465   7.678
   34    HA   CYS  31           HA       CYS  31   5.305   2.402   9.820
   35   1HB   CYS  31          2HB       CYS  31   6.106   4.371   8.543
   36   2HB   CYS  31          3HB       CYS  31   4.706   5.283   9.071
   37    H    PHE  32           HN       PHE  32   4.233   1.754  11.655
   38    HA   PHE  32           HA       PHE  32   1.572   2.737  12.141
   39   1HB   PHE  32          2HB       PHE  32   2.901   0.357  12.512
   40   2HB   PHE  32          3HB       PHE  32   3.190   1.068  14.088
   41    HD1  PHE  32           HD1      PHE  32   0.258   0.840  11.771
   42    HD2  PHE  32           HD2      PHE  32   1.755   0.300  15.704
   43    HE1  PHE  32           HE1      PHE  32  -2.010   0.079  12.529
   44    HE2  PHE  32           HE2      PHE  32  -0.514  -0.462  16.463
   45    HZ   PHE  32           HZ       PHE  32  -2.369  -0.562  14.867
   46    H    SER  33           HN       SER  33   4.315   4.334  12.473
   47    HA   SER  33           HA       SER  33   3.822   5.118  15.233
   48   1HB   SER  33          2HB       SER  33   6.233   4.756  13.638
   49   2HB   SER  33          3HB       SER  33   6.170   6.396  14.253
   50    HG   SER  33           HG       SER  33   7.067   5.376  15.959
   51    H    CYS  34           HN       CYS  34   4.374   6.348  11.874
   52    HA   CYS  34           HA       CYS  34   3.320   8.928  12.753
   53   1HB   CYS  34          2HB       CYS  34   4.273   9.795  10.610
   54   2HB   CYS  34          3HB       CYS  34   5.472   9.175  11.728
   55    H    GLY  35           HN       GLY  35   2.940   6.129  10.561
   56   1HA   GLY  35          1HA       GLY  35   0.869   5.378   9.810
   57   2HA   GLY  35          2HA       GLY  35   0.192   6.981  10.016
   58    H    LYS  36           HN       LYS  36   3.369   6.566   8.480
   59    HA   LYS  36           HA       LYS  36   2.146   7.443   5.967
   60   1HB   LYS  36          2HB       LYS  36   4.366   8.378   7.451
   61   2HB   LYS  36          3HB       LYS  36   5.029   7.614   6.021
   62   1HG   LYS  36          2HG       LYS  36   4.559   9.608   5.002
   63   2HG   LYS  36          3HG       LYS  36   2.925   8.981   4.900
   64   1HD   LYS  36          2HD       LYS  36   2.317  10.849   6.060
   65   2HD   LYS  36          3HD       LYS  36   2.946  10.020   7.470
   66   1HE   LYS  36          2HE       LYS  36   4.915  11.521   5.750
   67   2HE   LYS  36          3HE       LYS  36   3.823  12.468   6.740
   68   1HZ   LYS  36          1HZ       LYS  36   4.780  11.731   8.614
   69   2HZ   LYS  36          2HZ       LYS  36   5.112  10.239   8.037
   70   3HZ   LYS  36          3HZ       LYS  36   6.075  11.499   7.646
   71    H    THR  37           HN       THR  37   3.940   6.696   4.080
   72    HA   THR  37           HA       THR  37   4.198   3.783   4.432
   73    HB   THR  37           HB       THR  37   3.214   3.452   2.269
   74    HG1  THR  37           HG1      THR  37   4.299   5.128   1.123
   75   1HG2  THR  37          1HG2      THR  37   1.554   4.412   4.052
   76   2HG2  THR  37          2HG2      THR  37   1.709   5.947   3.165
   77   3HG2  THR  37          3HG2      THR  37   1.061   4.507   2.345
   78    H    GLY  38           HN       GLY  38   5.998   2.789   3.527
   79   1HA   GLY  38          1HA       GLY  38   7.832   2.998   1.929
   80   2HA   GLY  38          2HA       GLY  38   8.014   4.664   2.440
   81    H    HIS  39           HN       HIS  39   7.095   2.619   5.065
   82    HA   HIS  39           HA       HIS  39   9.532   1.478   5.734
   83   1HB   HIS  39          2HB       HIS  39  10.403   2.968   7.419
   84   2HB   HIS  39          3HB       HIS  39  10.336   3.793   5.874
   85    HD1  HIS  39           HD1      HIS  39   7.732   5.107   5.654
   86    HD2  HIS  39           HD2      HIS  39   9.586   4.650   9.390
   87    HE1  HIS  39           HE1      HIS  39   6.693   6.862   7.187
   88    H    ILE  40           HN       ILE  40   9.438   0.447   7.875
   89    HA   ILE  40           HA       ILE  40   6.655   0.181   8.723
   90    HB   ILE  40           HB       ILE  40   9.082  -1.570   9.113
   91   1HG1  ILE  40          2HG1      ILE  40   7.052  -2.986   7.827
   92   2HG1  ILE  40          3HG1      ILE  40   6.992  -1.402   7.081
   93   1HG2  ILE  40          1HG2      ILE  40   7.709  -1.713  11.098
   94   2HG2  ILE  40          2HG2      ILE  40   6.248  -1.955  10.111
   95   3HG2  ILE  40          3HG2      ILE  40   7.525  -3.195  10.130
   96   1HD1  ILE  40          1HD1      ILE  40   9.690  -2.693   7.502
   97   2HD1  ILE  40          2HD1      ILE  40   8.660  -3.252   6.162
   98   3HD1  ILE  40          3HD1      ILE  40   9.173  -1.549   6.241
   99    H    LYS  41           HN       LYS  41   6.280  -0.102  11.129
  100    HA   LYS  41           HA       LYS  41   7.037   2.152  12.482
  101   1HB   LYS  41          2HB       LYS  41   6.203   0.979  14.498
  102   2HB   LYS  41          3HB       LYS  41   5.116   0.861  13.129
  103   1HG   LYS  41          2HG       LYS  41   6.270  -1.402  12.599
  104   2HG   LYS  41          3HG       LYS  41   7.005  -1.283  14.186
  105   1HD   LYS  41          2HD       LYS  41   4.922  -1.444  15.313
  106   2HD   LYS  41          3HD       LYS  41   4.006  -0.939  13.907
  107   1HE   LYS  41          2HE       LYS  41   3.583  -3.226  13.839
  108   2HE   LYS  41          3HE       LYS  41   5.015  -3.170  12.831
  109   1HZ   LYS  41          1HZ       LYS  41   5.606  -3.375  15.609
  110   2HZ   LYS  41          2HZ       LYS  41   4.748  -4.645  15.047
  111   3HZ   LYS  41          3HZ       LYS  41   6.175  -4.255  14.357
  112    H    ARG  42           HN       ARG  42   8.418  -1.190  12.836
  113    HA   ARG  42           HA       ARG  42  10.323  -0.490  14.665
  114   1HB   ARG  42          2HB       ARG  42   9.613  -2.791  13.157
  115   2HB   ARG  42          3HB       ARG  42  11.303  -2.521  12.779
  116   1HG   ARG  42          2HG       ARG  42  11.772  -2.357  15.274
  117   2HG   ARG  42          3HG       ARG  42  10.101  -2.791  15.574
  118   1HD   ARG  42          2HD       ARG  42  10.415  -5.004  14.967
  119   2HD   ARG  42          3HD       ARG  42  11.563  -4.609  13.702
  120    HE   ARG  42           HE       ARG  42  12.189  -5.235  16.474
  121   1HH1  ARG  42          2HH2      ARG  42  13.299  -3.432  13.664
  122   2HH1  ARG  42          1HH2      ARG  42  14.959  -3.435  14.157
  123   1HH2  ARG  42          2HH1      ARG  42  14.380  -5.240  17.127
  124   2HH2  ARG  42          1HH1      ARG  42  15.577  -4.471  16.140
  125    H    ASP  43           HN       ASP  43  10.160   0.030  11.171
  126    HA   ASP  43           HA       ASP  43  12.944   0.444  10.866
  127   1HB   ASP  43          2HB       ASP  43  10.649   1.368   9.077
  128   2HB   ASP  43          3HB       ASP  43  12.330   1.232   8.604
  129    H    CYS  44           HN       CYS  44  10.051   2.330  11.705
  130    HA   CYS  44           HA       CYS  44  11.256   4.861  11.164
  131   1HB   CYS  44          2HB       CYS  44   8.731   4.237  11.143
  132   2HB   CYS  44          3HB       CYS  44   8.809   4.446  12.881
  133    H    LYS  45           HN       LYS  45  12.673   5.904  12.526
  134    HA   LYS  45           HA       LYS  45  12.938   4.822  15.228
  135   1HB   LYS  45          2HB       LYS  45  14.788   5.754  13.207
  136   2HB   LYS  45          3HB       LYS  45  15.003   6.669  14.685
  137   1HG   LYS  45          2HG       LYS  45  14.658   3.701  14.989
  138   2HG   LYS  45          3HG       LYS  45  16.159   4.241  14.264
  139   1HD   LYS  45          2HD       LYS  45  16.027   5.986  16.364
  140   2HD   LYS  45          3HD       LYS  45  15.144   4.640  17.056
  141   1HE   LYS  45          2HE       LYS  45  17.141   3.161  16.209
  142   2HE   LYS  45          3HE       LYS  45  18.006   4.674  16.030
  143   1HZ   LYS  45          1HZ       LYS  45  16.637   4.158  18.539
  144   2HZ   LYS  45          2HZ       LYS  45  18.048   3.389  18.252
  145   3HZ   LYS  45          3HZ       LYS  45  17.995   5.021  18.260
  146    H    GLU  46           HN       GLU  46  10.999   5.843  16.054
  147    HA   GLU  46           HA       GLU  46  11.585   8.479  16.955
  148   1HB   GLU  46          2HB       GLU  46  10.542   9.037  14.807
  149   2HB   GLU  46          3HB       GLU  46   9.180   7.986  15.147
  150   1HG   GLU  46          2HG       GLU  46   8.480   9.399  17.031
  151   2HG   GLU  46          3HG       GLU  46   9.928  10.377  16.894
  152    H    GLU  47           HN       GLU  47   8.810   6.159  16.513
  153    HA   GLU  47           HA       GLU  47   7.442   5.244  17.925
  154   1HB   GLU  47          2HB       GLU  47   9.780   5.668  19.817
  155   2HB   GLU  47          3HB       GLU  47   8.304   4.888  20.353
  156   1HG   GLU  47          2HG       GLU  47   8.688   2.977  19.109
  157   2HG   GLU  47          3HG       GLU  47   9.420   3.855  17.780
  Start of MODEL    4
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   1.696  -0.803  -0.709
    3   1HB   LYS  27          2HB       LYS  27  -0.299   0.755  -2.031
    4   2HB   LYS  27          3HB       LYS  27   1.265   1.322  -2.580
    5   1HG   LYS  27          2HG       LYS  27   1.810  -0.693  -3.585
    6   2HG   LYS  27          3HG       LYS  27   0.972  -1.650  -2.380
    7   1HD   LYS  27          2HD       LYS  27  -1.119  -1.414  -3.432
    8   2HD   LYS  27          3HD       LYS  27  -0.680   0.093  -4.212
    9   1HE   LYS  27          2HE       LYS  27  -0.063  -1.025  -6.085
   10   2HE   LYS  27          3HE       LYS  27   1.131  -1.931  -5.177
   11   1HZ   LYS  27          1HZ       LYS  27  -1.519  -2.702  -5.958
   12   2HZ   LYS  27          2HZ       LYS  27  -0.190  -3.623  -5.727
   13   3HZ   LYS  27          3HZ       LYS  27  -1.094  -3.156  -4.448
   14    H    GLY  28           HN       GLY  28   2.564   0.401   1.549
   15   1HA   GLY  28          1HA       GLY  28   4.235   1.634   2.407
   16   2HA   GLY  28          2HA       GLY  28   4.951   1.610   0.808
   17    HA   PRO  29           HA       PRO  29   2.290   5.523   0.964
   18   1HB   PRO  29          2HB       PRO  29   0.780   6.093   3.169
   19   2HB   PRO  29          3HB       PRO  29   0.138   5.288   1.749
   20   1HG   PRO  29          2HG       PRO  29   0.824   4.134   4.384
   21   2HG   PRO  29          3HG       PRO  29  -0.191   3.465   3.122
   22   1HD   PRO  29          2HD       PRO  29   2.500   2.695   3.750
   23   2HD   PRO  29          3HD       PRO  29   1.525   2.107   2.417
   24    H    VAL  30           HN       VAL  30   3.421   7.365   1.042
   25    HA   VAL  30           HA       VAL  30   5.161   7.572   3.381
   26    HB   VAL  30           HB       VAL  30   6.176   7.526   1.149
   27   1HG1  VAL  30          1HG1      VAL  30   4.442   8.509  -0.203
   28   2HG1  VAL  30          2HG1      VAL  30   4.549  10.045   0.687
   29   3HG1  VAL  30          3HG1      VAL  30   5.901   9.518  -0.343
   30   1HG2  VAL  30          1HG2      VAL  30   7.272   9.953   1.410
   31   2HG2  VAL  30          2HG2      VAL  30   6.435   9.870   2.979
   32   3HG2  VAL  30          3HG2      VAL  30   7.623   8.621   2.538
   33    H    CYS  31           HN       CYS  31   5.068   9.303   4.800
   34    HA   CYS  31           HA       CYS  31   2.684  10.929   4.527
   35   1HB   CYS  31          2HB       CYS  31   3.100   9.736   6.659
   36   2HB   CYS  31          3HB       CYS  31   4.588  10.637   6.874
   37    H    PHE  32           HN       PHE  32   2.915  12.873   3.476
   38    HA   PHE  32           HA       PHE  32   5.548  14.009   3.211
   39   1HB   PHE  32          2HB       PHE  32   2.983  13.979   1.867
   40   2HB   PHE  32          3HB       PHE  32   3.289  15.650   2.301
   41    HD1  PHE  32           HD1      PHE  32   6.132  15.988   1.945
   42    HD2  PHE  32           HD2      PHE  32   3.405  13.720  -0.385
   43    HE1  PHE  32           HE1      PHE  32   7.634  16.232  -0.051
   44    HE2  PHE  32           HE2      PHE  32   4.906  13.965  -2.381
   45    HZ   PHE  32           HZ       PHE  32   7.003  15.218  -2.190
   46    H    SER  33           HN       SER  33   3.752  13.924   5.837
   47    HA   SER  33           HA       SER  33   3.853  16.796   6.307
   48   1HB   SER  33          2HB       SER  33   2.351  14.621   7.832
   49   2HB   SER  33          3HB       SER  33   2.314  16.329   8.222
   50    HG   SER  33           HG       SER  33   0.678  15.076   6.575
   51    H    CYS  34           HN       CYS  34   4.681  13.544   7.657
   52    HA   CYS  34           HA       CYS  34   6.468  14.893   9.539
   53   1HB   CYS  34          2HB       CYS  34   6.488  12.709  10.751
   54   2HB   CYS  34          3HB       CYS  34   4.913  13.477  10.691
   55    H    GLY  35           HN       GLY  35   6.146  12.567   6.847
   56   1HA   GLY  35          1HA       GLY  35   7.824  12.170   5.292
   57   2HA   GLY  35          2HA       GLY  35   9.041  12.688   6.441
   58    H    LYS  36           HN       LYS  36   6.438  10.487   7.452
   59    HA   LYS  36           HA       LYS  36   8.470   8.397   7.743
   60   1HB   LYS  36          2HB       LYS  36   6.749   9.488   9.599
   61   2HB   LYS  36          3HB       LYS  36   5.889   8.041   9.112
   62   1HG   LYS  36          2HG       LYS  36   8.605   7.238   9.367
   63   2HG   LYS  36          3HG       LYS  36   8.311   8.289  10.737
   64   1HD   LYS  36          2HD       LYS  36   6.096   6.897  11.042
   65   2HD   LYS  36          3HD       LYS  36   6.864   5.725   9.990
   66   1HE   LYS  36          2HE       LYS  36   7.968   6.764  12.643
   67   2HE   LYS  36          3HE       LYS  36   7.321   5.163  12.347
   68   1HZ   LYS  36          1HZ       LYS  36   9.102   4.689  10.912
   69   2HZ   LYS  36          2HZ       LYS  36   9.623   6.236  10.877
   70   3HZ   LYS  36          3HZ       LYS  36   9.770   5.355  12.244
   71    H    THR  37           HN       THR  37   7.038   6.104   7.852
   72    HA   THR  37           HA       THR  37   5.516   6.072   5.330
   73    HB   THR  37           HB       THR  37   6.757   4.143   4.626
   74    HG1  THR  37           HG1      THR  37   7.767   4.249   7.383
   75   1HG2  THR  37          1HG2      THR  37   8.239   6.154   4.503
   76   2HG2  THR  37          2HG2      THR  37   8.738   5.882   6.190
   77   3HG2  THR  37          3HG2      THR  37   9.176   4.703   4.931
   78    H    GLY  38           HN       GLY  38   3.734   4.710   5.217
   79   1HA   GLY  38          1HA       GLY  38   2.591   2.792   6.203
   80   2HA   GLY  38          2HA       GLY  38   3.010   3.423   7.783
   81    H    HIS  39           HN       HIS  39   2.339   5.956   5.538
   82    HA   HIS  39           HA       HIS  39  -0.434   5.972   5.556
   83   1HB   HIS  39          2HB       HIS  39  -0.973   7.575   7.273
   84   2HB   HIS  39          3HB       HIS  39  -0.203   6.175   7.993
   85    HD1  HIS  39           HD1      HIS  39   2.670   6.638   8.093
   86    HD2  HIS  39           HD2      HIS  39  -0.008   9.853   8.399
   87    HE1  HIS  39           HE1      HIS  39   3.955   8.534   9.217
   88    H    ILE  40           HN       ILE  40  -1.288   7.967   4.585
   89    HA   ILE  40           HA       ILE  40   0.841   9.358   3.148
   90    HB   ILE  40           HB       ILE  40  -2.109   9.034   2.603
   91   1HG1  ILE  40          2HG1      ILE  40  -0.610   8.067   0.459
   92   2HG1  ILE  40          3HG1      ILE  40   0.279   7.522   1.868
   93   1HG2  ILE  40          1HG2      ILE  40  -1.449  11.235   1.869
   94   2HG2  ILE  40          2HG2      ILE  40  -0.012  10.576   1.052
   95   3HG2  ILE  40          3HG2      ILE  40  -1.639  10.174   0.453
   96   1HD1  ILE  40          1HD1      ILE  40  -1.553   6.290   2.721
   97   2HD1  ILE  40          2HD1      ILE  40  -2.737   7.209   1.762
   98   3HD1  ILE  40          3HD1      ILE  40  -1.671   6.027   0.965
   99    H    LYS  41           HN       LYS  41   0.476  11.744   2.725
  100    HA   LYS  41           HA       LYS  41   0.423  13.131   5.084
  101   1HB   LYS  41          2HB       LYS  41   0.161  15.147   3.647
  102   2HB   LYS  41          3HB       LYS  41   1.425  14.056   3.117
  103   1HG   LYS  41          2HG       LYS  41  -0.518  13.005   1.620
  104   2HG   LYS  41          3HG       LYS  41  -1.289  14.559   1.874
  105   1HD   LYS  41          2HD       LYS  41   1.436  15.127   1.219
  106   2HD   LYS  41          3HD       LYS  41   0.917  13.885   0.096
  107   1HE   LYS  41          2HE       LYS  41   0.095  15.685  -1.083
  108   2HE   LYS  41          3HE       LYS  41  -1.280  15.489  -0.014
  109   1HZ   LYS  41          1HZ       LYS  41   0.411  17.655  -0.196
  110   2HZ   LYS  41          2HZ       LYS  41  -0.845  17.458   0.828
  111   3HZ   LYS  41          3HZ       LYS  41   0.658  17.009   1.283
  112    H    ARG  42           HN       ARG  42  -2.260  12.824   2.651
  113    HA   ARG  42           HA       ARG  42  -4.081  14.264   4.092
  114   1HB   ARG  42          2HB       ARG  42  -4.062  12.889   1.679
  115   2HB   ARG  42          3HB       ARG  42  -5.186  11.922   2.612
  116   1HG   ARG  42          2HG       ARG  42  -6.636  13.813   3.022
  117   2HG   ARG  42          3HG       ARG  42  -5.426  14.955   2.469
  118   1HD   ARG  42          2HD       ARG  42  -6.518  12.813   0.602
  119   2HD   ARG  42          3HD       ARG  42  -7.372  14.326   0.833
  120    HE   ARG  42           HE       ARG  42  -4.515  14.641   0.204
  121   1HH1  ARG  42          2HH2      ARG  42  -7.776  14.401  -1.094
  122   2HH1  ARG  42          1HH2      ARG  42  -7.377  15.180  -2.588
  123   1HH2  ARG  42          2HH1      ARG  42  -3.986  15.668  -1.768
  124   2HH2  ARG  42          1HH1      ARG  42  -5.206  15.906  -2.974
  125    H    ASP  43           HN       ASP  43  -2.884  10.963   4.506
  126    HA   ASP  43           HA       ASP  43  -5.085  10.119   6.077
  127   1HB   ASP  43          2HB       ASP  43  -2.270   8.946   5.940
  128   2HB   ASP  43          3HB       ASP  43  -3.709   8.120   6.505
  129    H    CYS  44           HN       CYS  44  -1.964  11.750   6.523
  130    HA   CYS  44           HA       CYS  44  -1.804  11.211   9.321
  131   1HB   CYS  44          2HB       CYS  44   0.135  11.701   7.664
  132   2HB   CYS  44          3HB       CYS  44  -0.283  13.388   7.884
  133    H    LYS  45           HN       LYS  45  -4.211  11.957   9.519
  134    HA   LYS  45           HA       LYS  45  -4.264  14.421  10.808
  135   1HB   LYS  45          2HB       LYS  45  -4.129  15.044   8.250
  136   2HB   LYS  45          3HB       LYS  45  -5.836  14.647   8.260
  137   1HG   LYS  45          2HG       LYS  45  -5.217  16.273  10.593
  138   2HG   LYS  45          3HG       LYS  45  -4.596  17.064   9.159
  139   1HD   LYS  45          2HD       LYS  45  -7.101  16.200   8.302
  140   2HD   LYS  45          3HD       LYS  45  -7.407  16.588   9.984
  141   1HE   LYS  45          2HE       LYS  45  -5.919  18.514   8.151
  142   2HE   LYS  45          3HE       LYS  45  -7.669  18.505   8.245
  143   1HZ   LYS  45          1HZ       LYS  45  -7.327  19.866   9.946
  144   2HZ   LYS  45          2HZ       LYS  45  -6.961  18.534  10.818
  145   3HZ   LYS  45          3HZ       LYS  45  -5.767  19.432  10.158
  146    H    GLU  46           HN       GLU  46  -4.978  12.280  11.977
  147    HA   GLU  46           HA       GLU  46  -7.443  11.190  11.337
  148   1HB   GLU  46          2HB       GLU  46  -7.383  10.373  13.749
  149   2HB   GLU  46          3HB       GLU  46  -5.974   9.971  12.789
  150   1HG   GLU  46          2HG       GLU  46  -5.769  12.593  14.173
  151   2HG   GLU  46          3HG       GLU  46  -5.912  11.228  15.264
  152    H    GLU  47           HN       GLU  47  -6.494  14.096  13.157
  153    HA   GLU  47           HA       GLU  47  -9.157  15.031  13.030
  154   1HB   GLU  47          2HB       GLU  47  -8.810  13.466  15.209
  155   2HB   GLU  47          3HB       GLU  47  -8.177  14.962  15.868
  156   1HG   GLU  47          2HG       GLU  47 -10.925  14.606  14.582
  157   2HG   GLU  47          3HG       GLU  47 -10.614  14.756  16.300
  Start of MODEL    5
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   1.229   1.076  -1.397
    3   1HB   LYS  27          2HB       LYS  27   2.686   0.997   0.770
    4   2HB   LYS  27          3HB       LYS  27   3.023  -0.654   0.290
    5   1HG   LYS  27          2HG       LYS  27   3.847   0.117  -1.915
    6   2HG   LYS  27          3HG       LYS  27   3.416   1.770  -1.528
    7   1HD   LYS  27          2HD       LYS  27   5.359   2.090  -0.396
    8   2HD   LYS  27          3HD       LYS  27   5.080   0.677   0.600
    9   1HE   LYS  27          2HE       LYS  27   6.956  -0.104  -0.488
   10   2HE   LYS  27          3HE       LYS  27   5.785  -0.586  -1.700
   11   1HZ   LYS  27          1HZ       LYS  27   6.216   1.397  -2.900
   12   2HZ   LYS  27          2HZ       LYS  27   7.166   2.006  -1.719
   13   3HZ   LYS  27          3HZ       LYS  27   7.658   0.703  -2.573
   14    H    GLY  28           HN       GLY  28  -0.082  -0.064  -2.875
   15   1HA   GLY  28          1HA       GLY  28   0.795  -2.840  -3.298
   16   2HA   GLY  28          2HA       GLY  28  -0.917  -2.487  -3.180
   17    HA   PRO  29           HA       PRO  29  -0.067  -1.909  -7.530
   18   1HB   PRO  29          2HB       PRO  29  -2.421  -2.949  -8.451
   19   2HB   PRO  29          3HB       PRO  29  -0.975  -3.911  -8.217
   20   1HG   PRO  29          2HG       PRO  29  -3.419  -3.805  -6.557
   21   2HG   PRO  29          3HG       PRO  29  -2.169  -5.033  -6.594
   22   1HD   PRO  29          2HD       PRO  29  -2.522  -3.002  -4.600
   23   2HD   PRO  29          3HD       PRO  29  -1.207  -4.157  -4.700
   24    H    VAL  30           HN       VAL  30  -0.220  -0.017  -8.556
   25    HA   VAL  30           HA       VAL  30  -2.469   1.627  -7.677
   26    HB   VAL  30           HB       VAL  30  -0.194   2.482  -7.385
   27   1HG1  VAL  30          1HG1      VAL  30   1.338   1.963  -8.933
   28   2HG1  VAL  30          2HG1      VAL  30   0.093   1.577 -10.146
   29   3HG1  VAL  30          3HG1      VAL  30   0.633   3.259  -9.928
   30   1HG2  VAL  30          1HG2      VAL  30  -1.030   4.533  -7.660
   31   2HG2  VAL  30          2HG2      VAL  30  -0.946   4.382  -9.432
   32   3HG2  VAL  30          3HG2      VAL  30  -2.387   3.808  -8.558
   33    H    CYS  31           HN       CYS  31  -4.031   2.397  -9.090
   34    HA   CYS  31           HA       CYS  31  -4.040   1.074 -11.672
   35   1HB   CYS  31          2HB       CYS  31  -6.032   0.887 -10.205
   36   2HB   CYS  31          3HB       CYS  31  -6.243   2.625 -10.272
   37    H    PHE  32           HN       PHE  32  -3.122   2.203 -13.351
   38    HA   PHE  32           HA       PHE  32  -2.810   5.052 -13.123
   39   1HB   PHE  32          2HB       PHE  32  -1.473   2.879 -14.304
   40   2HB   PHE  32          3HB       PHE  32  -2.260   3.604 -15.693
   41    HD1  PHE  32           HD1      PHE  32   0.699   3.540 -13.975
   42    HD2  PHE  32           HD2      PHE  32  -2.037   6.343 -15.605
   43    HE1  PHE  32           HE1      PHE  32   2.536   5.244 -14.125
   44    HE2  PHE  32           HE2      PHE  32  -0.201   8.048 -15.755
   45    HZ   PHE  32           HZ       PHE  32   2.064   7.478 -15.014
   46    H    SER  33           HN       SER  33  -5.510   3.405 -13.675
   47    HA   SER  33           HA       SER  33  -6.234   4.892 -16.066
   48   1HB   SER  33          2HB       SER  33  -6.906   2.250 -15.025
   49   2HB   SER  33          3HB       SER  33  -8.368   3.176 -15.303
   50    HG   SER  33           HG       SER  33  -6.297   3.079 -17.301
   51    H    CYS  34           HN       CYS  34  -7.309   4.072 -12.704
   52    HA   CYS  34           HA       CYS  34  -9.151   6.333 -12.844
   53   1HB   CYS  34          2HB       CYS  34 -10.142   5.344 -10.766
   54   2HB   CYS  34          3HB       CYS  34 -10.278   4.330 -12.188
   55    H    GLY  35           HN       GLY  35  -6.337   4.881 -11.158
   56   1HA   GLY  35          1HA       GLY  35  -4.629   6.184 -10.236
   57   2HA   GLY  35          2HA       GLY  35  -5.750   7.509  -9.988
   58    H    LYS  36           HN       LYS  36  -6.712   4.186  -9.176
   59    HA   LYS  36           HA       LYS  36  -6.661   4.978  -6.357
   60   1HB   LYS  36          2HB       LYS  36  -8.635   3.732  -8.034
   61   2HB   LYS  36          3HB       LYS  36  -8.193   2.616  -6.758
   62   1HG   LYS  36          2HG       LYS  36  -9.792   3.840  -5.612
   63   2HG   LYS  36          3HG       LYS  36  -8.387   4.816  -5.228
   64   1HD   LYS  36          2HD       LYS  36  -9.059   6.002  -7.572
   65   2HD   LYS  36          3HD       LYS  36 -10.643   5.396  -7.132
   66   1HE   LYS  36          2HE       LYS  36 -10.774   7.368  -5.953
   67   2HE   LYS  36          3HE       LYS  36  -9.912   6.458  -4.729
   68   1HZ   LYS  36          1HZ       LYS  36  -8.491   8.150  -4.944
   69   2HZ   LYS  36          2HZ       LYS  36  -7.903   7.297  -6.207
   70   3HZ   LYS  36          3HZ       LYS  36  -8.942   8.529  -6.468
   71    H    THR  37           HN       THR  37  -6.673   2.625  -5.021
   72    HA   THR  37           HA       THR  37  -4.279   1.220  -6.008
   73    HB   THR  37           HB       THR  37  -3.326   1.352  -3.810
   74    HG1  THR  37           HG1      THR  37  -5.955   2.418  -3.057
   75   1HG2  THR  37          1HG2      THR  37  -3.984   3.749  -5.069
   76   2HG2  THR  37          2HG2      THR  37  -4.719   3.955  -3.462
   77   3HG2  THR  37          3HG2      THR  37  -2.977   3.619  -3.607
   78    H    GLY  38           HN       GLY  38  -4.141  -1.005  -5.608
   79   1HA   GLY  38          1HA       GLY  38  -5.056  -2.907  -4.403
   80   2HA   GLY  38          2HA       GLY  38  -6.651  -2.208  -4.601
   81    H    HIS  39           HN       HIS  39  -4.644  -1.634  -7.353
   82    HA   HIS  39           HA       HIS  39  -4.850  -4.061  -8.679
   83   1HB   HIS  39          2HB       HIS  39  -6.710  -3.731 -10.171
   84   2HB   HIS  39          3HB       HIS  39  -7.276  -3.689  -8.513
   85    HD1  HIS  39           HD1      HIS  39  -7.156  -0.913  -7.587
   86    HD2  HIS  39           HD2      HIS  39  -7.967  -1.796 -11.606
   87    HE1  HIS  39           HE1      HIS  39  -8.327   1.141  -8.548
   88    H    ILE  40           HN       ILE  40  -4.086  -3.880 -10.926
   89    HA   ILE  40           HA       ILE  40  -2.605  -1.386 -11.266
   90    HB   ILE  40           HB       ILE  40  -2.249  -4.143 -12.441
   91   1HG1  ILE  40          2HG1      ILE  40   0.058  -3.355 -11.089
   92   2HG1  ILE  40          3HG1      ILE  40  -1.241  -2.797 -10.054
   93   1HG2  ILE  40          1HG2      ILE  40  -0.081  -3.152 -13.318
   94   2HG2  ILE  40          2HG2      ILE  40  -1.575  -2.671 -14.157
   95   3HG2  ILE  40          3HG2      ILE  40  -0.800  -1.554 -13.009
   96   1HD1  ILE  40          1HD1      ILE  40  -1.310  -5.597 -11.225
   97   2HD1  ILE  40          2HD1      ILE  40  -0.385  -5.243  -9.746
   98   3HD1  ILE  40          3HD1      ILE  40  -2.144  -4.974  -9.781
   99    H    LYS  41           HN       LYS  41  -2.384  -0.561 -13.562
  100    HA   LYS  41           HA       LYS  41  -4.832   0.119 -14.572
  101   1HB   LYS  41          2HB       LYS  41  -3.557   0.807 -16.607
  102   2HB   LYS  41          3HB       LYS  41  -2.891   1.401 -15.100
  103   1HG   LYS  41          2HG       LYS  41  -1.493  -0.920 -15.265
  104   2HG   LYS  41          3HG       LYS  41  -1.795  -0.679 -16.974
  105   1HD   LYS  41          2HD       LYS  41  -0.863   1.665 -16.766
  106   2HD   LYS  41          3HD       LYS  41  -0.477   1.333 -15.089
  107   1HE   LYS  41          2HE       LYS  41   0.887  -0.691 -15.932
  108   2HE   LYS  41          3HE       LYS  41   0.667  -0.057 -17.551
  109   1HZ   LYS  41          1HZ       LYS  41   2.572   0.964 -16.949
  110   2HZ   LYS  41          2HZ       LYS  41   1.530   2.099 -16.408
  111   3HZ   LYS  41          3HZ       LYS  41   2.206   1.044 -15.360
  112    H    ARG  42           HN       ARG  42  -2.578  -2.448 -15.809
  113    HA   ARG  42           HA       ARG  42  -4.237  -3.308 -17.804
  114   1HB   ARG  42          2HB       ARG  42  -1.763  -3.949 -17.227
  115   2HB   ARG  42          3HB       ARG  42  -2.454  -5.185 -16.195
  116   1HG   ARG  42          2HG       ARG  42  -2.340  -6.445 -18.120
  117   2HG   ARG  42          3HG       ARG  42  -3.892  -5.694 -18.439
  118   1HD   ARG  42          2HD       ARG  42  -2.721  -5.277 -20.444
  119   2HD   ARG  42          3HD       ARG  42  -2.493  -3.775 -19.571
  120    HE   ARG  42           HE       ARG  42  -0.210  -4.303 -19.252
  121   1HH1  ARG  42          2HH2      ARG  42  -1.933  -7.067 -20.584
  122   2HH1  ARG  42          1HH2      ARG  42  -0.489  -7.951 -20.952
  123   1HH2  ARG  42          2HH1      ARG  42   1.695  -5.468 -19.737
  124   2HH2  ARG  42          1HH1      ARG  42   1.588  -7.035 -20.468
  125    H    ASP  43           HN       ASP  43  -4.329  -3.849 -14.308
  126    HA   ASP  43           HA       ASP  43  -5.982  -6.140 -14.464
  127   1HB   ASP  43          2HB       ASP  43  -5.565  -4.209 -12.135
  128   2HB   ASP  43          3HB       ASP  43  -6.213  -5.833 -12.018
  129    H    CYS  44           HN       CYS  44  -6.349  -2.607 -14.382
  130    HA   CYS  44           HA       CYS  44  -9.101  -2.681 -13.614
  131   1HB   CYS  44          2HB       CYS  44  -7.368  -0.783 -13.216
  132   2HB   CYS  44          3HB       CYS  44  -7.719  -0.307 -14.865
  133    H    LYS  45           HN       LYS  45 -10.522  -3.613 -15.067
  134    HA   LYS  45           HA       LYS  45 -10.341  -2.662 -17.832
  135   1HB   LYS  45          2HB       LYS  45  -9.963  -5.378 -16.883
  136   2HB   LYS  45          3HB       LYS  45 -11.352  -5.285 -17.946
  137   1HG   LYS  45          2HG       LYS  45  -9.751  -3.823 -19.477
  138   2HG   LYS  45          3HG       LYS  45  -8.469  -4.564 -18.539
  139   1HD   LYS  45          2HD       LYS  45  -8.736  -6.599 -19.550
  140   2HD   LYS  45          3HD       LYS  45 -10.484  -6.527 -19.446
  141   1HE   LYS  45          2HE       LYS  45  -9.867  -4.542 -21.339
  142   2HE   LYS  45          3HE       LYS  45  -8.714  -5.812 -21.697
  143   1HZ   LYS  45          1HZ       LYS  45 -10.351  -7.231 -22.263
  144   2HZ   LYS  45          2HZ       LYS  45 -11.449  -6.621 -21.220
  145   3HZ   LYS  45          3HZ       LYS  45 -11.140  -5.847 -22.625
  146    H    GLU  46           HN       GLU  46 -11.892  -1.139 -16.512
  147    HA   GLU  46           HA       GLU  46 -14.361  -2.174 -15.745
  148   1HB   GLU  46          2HB       GLU  46 -15.084   0.204 -15.717
  149   2HB   GLU  46          3HB       GLU  46 -13.534  -0.014 -14.929
  150   1HG   GLU  46          2HG       GLU  46 -12.410   0.638 -17.128
  151   2HG   GLU  46          3HG       GLU  46 -13.998   1.021 -17.764
  152    H    GLU  47           HN       GLU  47 -13.196  -0.598 -18.789
  153    HA   GLU  47           HA       GLU  47 -14.910  -2.120 -20.354
  154   1HB   GLU  47          2HB       GLU  47 -16.345  -0.103 -19.156
  155   2HB   GLU  47          3HB       GLU  47 -15.834   0.701 -20.627
  156   1HG   GLU  47          2HG       GLU  47 -16.624  -1.611 -21.755
  157   2HG   GLU  47          3HG       GLU  47 -17.596  -1.727 -20.301
  Start of MODEL    6
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   2.074   1.001  -0.524
    3   1HB   LYS  27          2HB       LYS  27   1.380  -1.859  -0.169
    4   2HB   LYS  27          3HB       LYS  27   2.312  -1.484  -1.605
    5   1HG   LYS  27          2HG       LYS  27   4.192  -1.228  -0.367
    6   2HG   LYS  27          3HG       LYS  27   3.428   0.027   0.588
    7   1HD   LYS  27          2HD       LYS  27   3.645  -1.440   2.327
    8   2HD   LYS  27          3HD       LYS  27   2.226  -2.216   1.651
    9   1HE   LYS  27          2HE       LYS  27   4.011  -3.486   0.126
   10   2HE   LYS  27          3HE       LYS  27   5.132  -3.023   1.390
   11   1HZ   LYS  27          1HZ       LYS  27   3.290  -5.081   1.434
   12   2HZ   LYS  27          2HZ       LYS  27   4.330  -4.645   2.615
   13   3HZ   LYS  27          3HZ       LYS  27   2.825  -4.014   2.579
   14    H    GLY  28           HN       GLY  28  -0.599  -1.076  -1.857
   15   1HA   GLY  28          1HA       GLY  28  -1.808  -0.862  -3.743
   16   2HA   GLY  28          2HA       GLY  28  -1.297   0.810  -3.847
   17    HA   PRO  29           HA       PRO  29   0.899  -1.832  -6.988
   18   1HB   PRO  29          2HB       PRO  29  -0.678  -1.543  -9.201
   19   2HB   PRO  29          3HB       PRO  29  -0.745  -2.946  -8.154
   20   1HG   PRO  29          2HG       PRO  29  -2.651  -0.696  -8.361
   21   2HG   PRO  29          3HG       PRO  29  -2.897  -2.282  -7.656
   22   1HD   PRO  29          2HD       PRO  29  -2.452   0.174  -6.243
   23   2HD   PRO  29          3HD       PRO  29  -2.582  -1.428  -5.545
   24    H    VAL  30           HN       VAL  30   2.619  -0.982  -8.011
   25    HA   VAL  30           HA       VAL  30   2.368   1.884  -8.492
   26    HB   VAL  30           HB       VAL  30   4.162   1.081  -7.038
   27   1HG1  VAL  30          1HG1      VAL  30   6.069  -0.192  -8.046
   28   2HG1  VAL  30          2HG1      VAL  30   4.561  -1.127  -7.916
   29   3HG1  VAL  30          3HG1      VAL  30   5.064  -0.465  -9.489
   30   1HG2  VAL  30          1HG2      VAL  30   5.593   1.976  -9.514
   31   2HG2  VAL  30          2HG2      VAL  30   4.352   3.038  -8.808
   32   3HG2  VAL  30          3HG2      VAL  30   5.754   2.538  -7.833
   33    H    CYS  31           HN       CYS  31   2.447   2.782 -10.522
   34    HA   CYS  31           HA       CYS  31   2.343   0.888 -12.704
   35   1HB   CYS  31          2HB       CYS  31   0.615   2.649 -12.524
   36   2HB   CYS  31          3HB       CYS  31   1.849   3.884 -12.680
   37    H    PHE  32           HN       PHE  32   4.241   0.352 -13.723
   38    HA   PHE  32           HA       PHE  32   6.532   2.068 -13.379
   39   1HB   PHE  32          2HB       PHE  32   6.753  -0.388 -13.195
   40   2HB   PHE  32          3HB       PHE  32   5.909  -0.627 -14.712
   41    HD1  PHE  32           HD1      PHE  32   7.283  -1.419 -16.370
   42    HD2  PHE  32           HD2      PHE  32   8.855   1.412 -13.628
   43    HE1  PHE  32           HE1      PHE  32   9.479  -1.463 -17.585
   44    HE2  PHE  32           HE2      PHE  32  11.051   1.369 -14.842
   45    HZ   PHE  32           HZ       PHE  32  11.337  -0.068 -16.806
   46    H    SER  33           HN       SER  33   4.006   2.652 -15.186
   47    HA   SER  33           HA       SER  33   5.536   3.062 -17.634
   48   1HB   SER  33          2HB       SER  33   3.456   1.664 -17.823
   49   2HB   SER  33          3HB       SER  33   2.508   3.022 -17.251
   50    HG   SER  33           HG       SER  33   2.369   3.260 -19.432
   51    H    CYS  34           HN       CYS  34   3.258   4.534 -15.250
   52    HA   CYS  34           HA       CYS  34   3.938   7.149 -16.374
   53   1HB   CYS  34          2HB       CYS  34   1.902   7.965 -15.183
   54   2HB   CYS  34          3HB       CYS  34   1.566   6.793 -16.442
   55    H    GLY  35           HN       GLY  35   3.910   5.001 -13.527
   56   1HA   GLY  35          1HA       GLY  35   5.439   5.129 -11.793
   57   2HA   GLY  35          2HA       GLY  35   5.767   6.807 -12.177
   58    H    LYS  36           HN       LYS  36   2.420   5.617 -12.013
   59    HA   LYS  36           HA       LYS  36   2.069   7.265  -9.618
   60   1HB   LYS  36          2HB       LYS  36   0.760   7.360 -12.026
   61   2HB   LYS  36          3HB       LYS  36  -0.319   6.346 -11.090
   62   1HG   LYS  36          2HG       LYS  36  -1.055   8.568 -10.639
   63   2HG   LYS  36          3HG       LYS  36  -0.142   8.115  -9.214
   64   1HD   LYS  36          2HD       LYS  36   1.896   9.180 -10.627
   65   2HD   LYS  36          3HD       LYS  36   0.591  10.052 -11.404
   66   1HE   LYS  36          2HE       LYS  36  -0.012  11.193  -9.442
   67   2HE   LYS  36          3HE       LYS  36   0.595   9.931  -8.389
   68   1HZ   LYS  36          1HZ       LYS  36   2.080  11.732  -8.298
   69   2HZ   LYS  36          2HZ       LYS  36   2.844  10.571  -9.156
   70   3HZ   LYS  36          3HZ       LYS  36   2.191  11.858  -9.922
   71    H    THR  37           HN       THR  37  -0.187   6.292  -8.482
   72    HA   THR  37           HA       THR  37   0.427   3.453  -7.987
   73    HB   THR  37           HB       THR  37   0.258   3.859  -5.631
   74    HG1  THR  37           HG1      THR  37  -0.888   6.361  -6.639
   75   1HG2  THR  37          1HG2      THR  37   1.302   6.592  -6.032
   76   2HG2  THR  37          2HG2      THR  37   2.112   5.174  -5.324
   77   3HG2  THR  37          3HG2      THR  37   2.106   5.407  -7.089
   78    H    GLY  38           HN       GLY  38  -1.309   2.059  -7.610
   79   1HA   GLY  38          1HA       GLY  38  -3.681   1.877  -7.094
   80   2HA   GLY  38          2HA       GLY  38  -3.964   3.255  -8.141
   81    H    HIS  39           HN       HIS  39  -1.431   1.452  -9.495
   82    HA   HIS  39           HA       HIS  39  -2.764  -0.703 -10.625
   83   1HB   HIS  39          2HB       HIS  39  -3.280   0.039 -12.844
   84   2HB   HIS  39          3HB       HIS  39  -4.144   1.045 -11.698
   85    HD1  HIS  39           HD1      HIS  39  -3.519   3.560 -11.577
   86    HD2  HIS  39           HD2      HIS  39  -1.210   1.357 -14.299
   87    HE1  HIS  39           HE1      HIS  39  -2.252   5.269 -12.987
   88    H    ILE  40           HN       ILE  40  -1.391  -1.821 -12.228
   89    HA   ILE  40           HA       ILE  40   1.385  -0.969 -11.897
   90    HB   ILE  40           HB       ILE  40   0.144  -3.626 -12.612
   91   1HG1  ILE  40          2HG1      ILE  40   1.723  -3.878 -10.330
   92   2HG1  ILE  40          3HG1      ILE  40   0.913  -2.342 -10.102
   93   1HG2  ILE  40          1HG2      ILE  40   3.069  -2.877 -12.343
   94   2HG2  ILE  40          2HG2      ILE  40   2.432  -4.532 -12.496
   95   3HG2  ILE  40          3HG2      ILE  40   2.228  -3.373 -13.831
   96   1HD1  ILE  40          1HD1      ILE  40  -1.247  -3.308 -10.200
   97   2HD1  ILE  40          2HD1      ILE  40  -0.656  -4.766 -11.032
   98   3HD1  ILE  40          3HD1      ILE  40  -0.299  -4.519  -9.306
   99    H    LYS  41           HN       LYS  41   2.860  -1.300 -13.810
  100    HA   LYS  41           HA       LYS  41   2.062   0.219 -15.933
  101   1HB   LYS  41          2HB       LYS  41   4.338   0.010 -15.766
  102   2HB   LYS  41          3HB       LYS  41   4.282  -1.706 -15.418
  103   1HG   LYS  41          2HG       LYS  41   3.259  -0.937 -18.117
  104   2HG   LYS  41          3HG       LYS  41   4.968  -0.641 -17.865
  105   1HD   LYS  41          2HD       LYS  41   4.857  -3.135 -16.819
  106   2HD   LYS  41          3HD       LYS  41   3.474  -3.255 -17.890
  107   1HE   LYS  41          2HE       LYS  41   4.802  -2.796 -19.844
  108   2HE   LYS  41          3HE       LYS  41   6.145  -2.194 -18.892
  109   1HZ   LYS  41          1HZ       LYS  41   6.655  -4.329 -18.183
  110   2HZ   LYS  41          2HZ       LYS  41   5.217  -4.957 -18.632
  111   3HZ   LYS  41          3HZ       LYS  41   6.308  -4.524 -19.767
  112    H    ARG  42           HN       ARG  42   2.192  -3.406 -15.760
  113    HA   ARG  42           HA       ARG  42   1.208  -3.824 -18.274
  114   1HB   ARG  42          2HB       ARG  42   2.172  -5.495 -16.497
  115   2HB   ARG  42          3HB       ARG  42   0.527  -5.619 -15.908
  116   1HG   ARG  42          2HG       ARG  42   0.377  -5.883 -18.754
  117   2HG   ARG  42          3HG       ARG  42   1.725  -6.878 -18.241
  118   1HD   ARG  42          2HD       ARG  42   0.343  -8.170 -16.744
  119   2HD   ARG  42          3HD       ARG  42  -0.964  -7.006 -16.816
  120    HE   ARG  42           HE       ARG  42  -0.335  -8.064 -19.451
  121   1HH1  ARG  42          2HH2      ARG  42  -2.056  -8.769 -16.463
  122   2HH1  ARG  42          1HH2      ARG  42  -3.186  -9.844 -17.217
  123   1HH2  ARG  42          2HH1      ARG  42  -1.826  -9.482 -20.446
  124   2HH2  ARG  42          1HH1      ARG  42  -3.053 -10.252 -19.499
  125    H    ASP  43           HN       ASP  43  -0.418  -2.934 -15.245
  126    HA   ASP  43           HA       ASP  43  -2.997  -3.648 -16.197
  127   1HB   ASP  43          2HB       ASP  43  -2.350  -1.739 -13.914
  128   2HB   ASP  43          3HB       ASP  43  -3.801  -2.701 -14.116
  129    H    CYS  44           HN       CYS  44  -0.770  -0.953 -16.438
  130    HA   CYS  44           HA       CYS  44  -2.728   1.075 -16.789
  131   1HB   CYS  44          2HB       CYS  44  -0.241   1.298 -16.046
  132   2HB   CYS  44          3HB       CYS  44   0.122   1.269 -17.760
  133    H    LYS  45           HN       LYS  45  -4.148   0.792 -18.504
  134    HA   LYS  45           HA       LYS  45  -2.952   0.647 -21.142
  135   1HB   LYS  45          2HB       LYS  45  -3.455  -1.725 -20.292
  136   2HB   LYS  45          3HB       LYS  45  -5.149  -1.296 -20.416
  137   1HG   LYS  45          2HG       LYS  45  -4.278  -0.433 -22.865
  138   2HG   LYS  45          3HG       LYS  45  -3.135  -1.733 -22.589
  139   1HD   LYS  45          2HD       LYS  45  -4.879  -3.376 -22.382
  140   2HD   LYS  45          3HD       LYS  45  -6.120  -2.156 -22.179
  141   1HE   LYS  45          2HE       LYS  45  -6.429  -1.992 -24.425
  142   2HE   LYS  45          3HE       LYS  45  -4.721  -1.702 -24.695
  143   1HZ   LYS  45          1HZ       LYS  45  -5.711  -3.778 -25.669
  144   2HZ   LYS  45          2HZ       LYS  45  -4.314  -3.965 -24.844
  145   3HZ   LYS  45          3HZ       LYS  45  -5.732  -4.395 -24.157
  146    H    GLU  46           HN       GLU  46  -3.599   2.866 -21.260
  147    HA   GLU  46           HA       GLU  46  -6.237   3.136 -22.198
  148   1HB   GLU  46          2HB       GLU  46  -6.786   3.249 -19.809
  149   2HB   GLU  46          3HB       GLU  46  -5.549   4.460 -19.539
  150   1HG   GLU  46          2HG       GLU  46  -6.737   6.115 -20.842
  151   2HG   GLU  46          3HG       GLU  46  -7.828   4.915 -21.509
  152    H    GLU  47           HN       GLU  47  -3.622   5.112 -20.606
  153    HA   GLU  47           HA       GLU  47  -3.133   6.344 -23.157
  154   1HB   GLU  47          2HB       GLU  47  -4.126   7.878 -20.727
  155   2HB   GLU  47          3HB       GLU  47  -3.199   8.663 -21.991
  156   1HG   GLU  47          2HG       GLU  47  -4.932   7.644 -23.653
  157   2HG   GLU  47          3HG       GLU  47  -5.912   7.303 -22.240
  Start of MODEL    7
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   0.839   0.059  -1.681
    3   1HB   LYS  27          2HB       LYS  27   2.080   2.071   0.108
    4   2HB   LYS  27          3HB       LYS  27   3.164   1.322  -1.045
    5   1HG   LYS  27          2HG       LYS  27   2.359   2.885  -2.507
    6   2HG   LYS  27          3HG       LYS  27   0.989   1.803  -2.661
    7   1HD   LYS  27          2HD       LYS  27  -0.413   3.251  -1.597
    8   2HD   LYS  27          3HD       LYS  27   0.726   3.526  -0.293
    9   1HE   LYS  27          2HE       LYS  27   0.791   5.644  -1.211
   10   2HE   LYS  27          3HE       LYS  27   2.021   4.913  -2.222
   11   1HZ   LYS  27          1HZ       LYS  27   0.687   5.636  -3.836
   12   2HZ   LYS  27          2HZ       LYS  27  -0.174   4.277  -3.552
   13   3HZ   LYS  27          3HZ       LYS  27  -0.652   5.697  -2.903
   14    H    GLY  28           HN       GLY  28   1.481  -1.991  -2.059
   15   1HA   GLY  28          1HA       GLY  28   2.363  -3.876  -0.392
   16   2HA   GLY  28          2HA       GLY  28   2.925  -3.748  -2.048
   17    HA   PRO  29           HA       PRO  29   6.153  -1.962   0.974
   18   1HB   PRO  29          2HB       PRO  29   6.204  -3.110   3.453
   19   2HB   PRO  29          3HB       PRO  29   5.437  -1.570   3.127
   20   1HG   PRO  29          2HG       PRO  29   4.181  -4.205   3.592
   21   2HG   PRO  29          3HG       PRO  29   3.457  -2.612   3.688
   22   1HD   PRO  29          2HD       PRO  29   3.155  -4.508   1.557
   23   2HD   PRO  29          3HD       PRO  29   2.527  -2.872   1.601
   24    H    VAL  30           HN       VAL  30   8.118  -2.586   0.346
   25    HA   VAL  30           HA       VAL  30   8.438  -5.482   0.145
   26    HB   VAL  30           HB       VAL  30   8.733  -4.119  -1.867
   27   1HG1  VAL  30          1HG1      VAL  30  10.731  -2.681  -0.138
   28   2HG1  VAL  30          2HG1      VAL  30  10.971  -2.759  -1.900
   29   3HG1  VAL  30          3HG1      VAL  30   9.494  -2.022  -1.235
   30   1HG2  VAL  30          1HG2      VAL  30  11.253  -4.847  -2.250
   31   2HG2  VAL  30          2HG2      VAL  30  11.001  -5.695  -0.706
   32   3HG2  VAL  30          3HG2      VAL  30   9.953  -6.055  -2.098
   33    H    CYS  31           HN       CYS  31  10.009  -6.607   1.277
   34    HA   CYS  31           HA       CYS  31  11.240  -5.091   3.421
   35   1HB   CYS  31          2HB       CYS  31   9.962  -7.143   3.966
   36   2HB   CYS  31          3HB       CYS  31  11.074  -8.094   3.001
   37    H    PHE  32           HN       PHE  32  13.261  -4.267   3.003
   38    HA   PHE  32           HA       PHE  32  14.832  -5.408   0.881
   39   1HB   PHE  32          2HB       PHE  32  14.475  -2.915   2.266
   40   2HB   PHE  32          3HB       PHE  32  16.109  -3.417   2.650
   41    HD1  PHE  32           HD1      PHE  32  17.706  -3.892   0.745
   42    HD2  PHE  32           HD2      PHE  32  13.955  -1.999   0.156
   43    HE1  PHE  32           HE1      PHE  32  18.497  -3.016  -1.471
   44    HE2  PHE  32           HE2      PHE  32  14.745  -1.122  -2.058
   45    HZ   PHE  32           HZ       PHE  32  17.006  -1.641  -2.846
   46    H    SER  33           HN       SER  33  14.248  -6.658   3.774
   47    HA   SER  33           HA       SER  33  17.046  -7.075   4.445
   48   1HB   SER  33          2HB       SER  33  14.769  -6.549   6.040
   49   2HB   SER  33          3HB       SER  33  15.119  -8.243   6.314
   50    HG   SER  33           HG       SER  33  16.631  -7.543   7.652
   51    H    CYS  34           HN       CYS  34  13.890  -8.761   3.886
   52    HA   CYS  34           HA       CYS  34  15.385 -11.252   3.589
   53   1HB   CYS  34          2HB       CYS  34  13.135 -12.343   3.755
   54   2HB   CYS  34          3HB       CYS  34  13.633 -11.484   5.198
   55    H    GLY  35           HN       GLY  35  13.155  -8.904   2.041
   56   1HA   GLY  35          1HA       GLY  35  13.236  -8.438  -0.250
   57   2HA   GLY  35          2HA       GLY  35  13.854 -10.046  -0.571
   58    H    LYS  36           HN       LYS  36  11.167  -9.580   1.709
   59    HA   LYS  36           HA       LYS  36   9.426 -10.895  -0.248
   60   1HB   LYS  36          2HB       LYS  36   9.956 -11.312   2.572
   61   2HB   LYS  36          3HB       LYS  36   8.252 -11.003   2.309
   62   1HG   LYS  36          2HG       LYS  36   7.934 -12.968   1.164
   63   2HG   LYS  36          3HG       LYS  36   9.445 -12.820   0.287
   64   1HD   LYS  36          2HD       LYS  36   9.847 -14.690   1.667
   65   2HD   LYS  36          3HD       LYS  36  10.595 -13.390   2.573
   66   1HE   LYS  36          2HE       LYS  36   7.684 -14.041   3.089
   67   2HE   LYS  36          3HE       LYS  36   8.918 -15.084   3.767
   68   1HZ   LYS  36          1HZ       LYS  36   8.251 -13.216   5.197
   69   2HZ   LYS  36          2HZ       LYS  36   9.856 -13.250   4.895
   70   3HZ   LYS  36          3HZ       LYS  36   8.903 -12.170   4.124
   71    H    THR  37           HN       THR  37   6.929 -10.315   0.639
   72    HA   THR  37           HA       THR  37   6.846  -7.371   0.677
   73    HB   THR  37           HB       THR  37   5.174  -7.419  -1.042
   74    HG1  THR  37           HG1      THR  37   5.231 -10.297  -0.456
   75   1HG2  THR  37          1HG2      THR  37   6.437  -9.838  -2.175
   76   2HG2  THR  37          2HG2      THR  37   6.438  -8.173  -2.801
   77   3HG2  THR  37          3HG2      THR  37   7.638  -8.666  -1.582
   78    H    GLY  38           HN       GLY  38   5.100  -6.398   1.791
   79   1HA   GLY  38          1HA       GLY  38   3.017  -6.718   2.975
   80   2HA   GLY  38          2HA       GLY  38   3.615  -8.265   3.540
   81    H    HIS  39           HN       HIS  39   6.125  -5.896   3.380
   82    HA   HIS  39           HA       HIS  39   5.686  -4.494   5.731
   83   1HB   HIS  39          2HB       HIS  39   7.082  -5.628   7.332
   84   2HB   HIS  39          3HB       HIS  39   5.802  -6.703   6.807
   85    HD1  HIS  39           HD1      HIS  39   6.773  -8.186   4.472
   86    HD2  HIS  39           HD2      HIS  39   9.407  -7.021   7.521
   87    HE1  HIS  39           HE1      HIS  39   8.798  -9.728   4.295
   88    H    ILE  40           HN       ILE  40   7.569  -3.150   6.296
   89    HA   ILE  40           HA       ILE  40   9.355  -2.943   3.994
   90    HB   ILE  40           HB       ILE  40   8.585  -0.985   6.157
   91   1HG1  ILE  40          2HG1      ILE  40   7.988   0.063   3.646
   92   2HG1  ILE  40          3HG1      ILE  40   7.531  -1.624   3.508
   93   1HG2  ILE  40          1HG2      ILE  40  10.847  -0.498   5.667
   94   2HG2  ILE  40          2HG2      ILE  40  10.608  -0.755   3.923
   95   3HG2  ILE  40          3HG2      ILE  40   9.875   0.655   4.724
   96   1HD1  ILE  40          1HD1      ILE  40   5.987  -1.491   5.311
   97   2HD1  ILE  40          2HD1      ILE  40   6.719   0.005   5.940
   98   3HD1  ILE  40          3HD1      ILE  40   5.762   0.045   4.439
   99    H    LYS  41           HN       LYS  41  11.672  -2.315   4.474
  100    HA   LYS  41           HA       LYS  41  12.906  -4.258   5.949
  101   1HB   LYS  41          2HB       LYS  41  14.933  -2.933   5.689
  102   2HB   LYS  41          3HB       LYS  41  13.999  -2.939   4.206
  103   1HG   LYS  41          2HG       LYS  41  12.966  -0.710   4.988
  104   2HG   LYS  41          3HG       LYS  41  14.166  -0.694   6.265
  105   1HD   LYS  41          2HD       LYS  41  15.939  -0.314   4.799
  106   2HD   LYS  41          3HD       LYS  41  15.179  -1.176   3.477
  107   1HE   LYS  41          2HE       LYS  41  13.793   0.670   2.893
  108   2HE   LYS  41          3HE       LYS  41  13.963   1.422   4.467
  109   1HZ   LYS  41          1HZ       LYS  41  16.389   1.618   3.855
  110   2HZ   LYS  41          2HZ       LYS  41  15.942   1.287   2.320
  111   3HZ   LYS  41          3HZ       LYS  41  15.350   2.608   3.076
  112    H    ARG  42           HN       ARG  42  12.295  -0.812   6.927
  113    HA   ARG  42           HA       ARG  42  13.353  -1.060   9.432
  114   1HB   ARG  42          2HB       ARG  42  11.737   0.852   7.956
  115   2HB   ARG  42          3HB       ARG  42  11.098   0.724   9.583
  116   1HG   ARG  42          2HG       ARG  42  13.400   1.112  10.507
  117   2HG   ARG  42          3HG       ARG  42  14.022   1.265   8.876
  118   1HD   ARG  42          2HD       ARG  42  12.917   3.323   8.496
  119   2HD   ARG  42          3HD       ARG  42  11.698   3.014   9.715
  120    HE   ARG  42           HE       ARG  42  14.199   3.111  11.056
  121   1HH1  ARG  42          2HH2      ARG  42  12.105   5.274   9.233
  122   2HH1  ARG  42          1HH2      ARG  42  12.639   6.697  10.063
  123   1HH2  ARG  42          2HH1      ARG  42  14.904   4.989  12.151
  124   2HH2  ARG  42          1HH1      ARG  42  14.242   6.534  11.733
  125    H    ASP  43           HN       ASP  43  10.261  -2.149   8.098
  126    HA   ASP  43           HA       ASP  43   8.995  -2.409  10.615
  127   1HB   ASP  43          2HB       ASP  43   8.333  -3.777   7.965
  128   2HB   ASP  43          3HB       ASP  43   7.251  -3.614   9.333
  129    H    CYS  44           HN       CYS  44  11.092  -4.335   8.489
  130    HA   CYS  44           HA       CYS  44  10.467  -6.824   9.746
  131   1HB   CYS  44          2HB       CYS  44  11.294  -6.412   7.317
  132   2HB   CYS  44          3HB       CYS  44  12.894  -6.316   8.025
  133    H    LYS  45           HN       LYS  45  12.141  -8.086  10.979
  134    HA   LYS  45           HA       LYS  45  13.652  -8.327  12.571
  135   1HB   LYS  45          2HB       LYS  45  14.797  -6.189  10.920
  136   2HB   LYS  45          3HB       LYS  45  15.348  -6.137  12.583
  137   1HG   LYS  45          2HG       LYS  45  15.359  -8.681  10.893
  138   2HG   LYS  45          3HG       LYS  45  16.739  -7.609  11.026
  139   1HD   LYS  45          2HD       LYS  45  15.420  -8.660  13.544
  140   2HD   LYS  45          3HD       LYS  45  16.520  -9.692  12.651
  141   1HE   LYS  45          2HE       LYS  45  18.309  -7.969  12.823
  142   2HE   LYS  45          3HE       LYS  45  17.211  -6.891  13.663
  143   1HZ   LYS  45          1HZ       LYS  45  18.389  -9.378  14.609
  144   2HZ   LYS  45          2HZ       LYS  45  18.297  -7.930  15.359
  145   3HZ   LYS  45          3HZ       LYS  45  16.972  -8.878  15.249
  146    H    GLU  46           HN       GLU  46  11.563  -7.960  13.824
  147    HA   GLU  46           HA       GLU  46  12.071  -5.751  15.638
  148   1HB   GLU  46          2HB       GLU  46   9.566  -5.366  15.774
  149   2HB   GLU  46          3HB       GLU  46  10.303  -4.878  14.260
  150   1HG   GLU  46          2HG       GLU  46   9.628  -7.105  13.262
  151   2HG   GLU  46          3HG       GLU  46   8.808  -7.496  14.762
  152    H    GLU  47           HN       GLU  47  10.272  -8.813  14.948
  153    HA   GLU  47           HA       GLU  47   9.897  -9.252  17.748
  154   1HB   GLU  47          2HB       GLU  47   8.663 -10.142  15.348
  155   2HB   GLU  47          3HB       GLU  47   9.353 -11.578  16.076
  156   1HG   GLU  47          2HG       GLU  47   8.272 -10.492  18.311
  157   2HG   GLU  47          3HG       GLU  47   7.205  -9.755  17.132
  Start of MODEL    8
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   0.971  -0.460  -1.490
    3   1HB   LYS  27          2HB       LYS  27   1.346   2.382  -0.705
    4   2HB   LYS  27          3HB       LYS  27   2.621   1.674  -1.674
    5   1HG   LYS  27          2HG       LYS  27   1.033   2.580  -3.235
    6   2HG   LYS  27          3HG       LYS  27   0.818   0.842  -3.287
    7   1HD   LYS  27          2HD       LYS  27  -1.380   1.184  -2.845
    8   2HD   LYS  27          3HD       LYS  27  -0.914   1.658  -1.223
    9   1HE   LYS  27          2HE       LYS  27  -0.596   4.031  -2.057
   10   2HE   LYS  27          3HE       LYS  27  -1.185   3.526  -3.628
   11   1HZ   LYS  27          1HZ       LYS  27  -3.102   2.613  -2.065
   12   2HZ   LYS  27          2HZ       LYS  27  -2.640   3.907  -1.184
   13   3HZ   LYS  27          3HZ       LYS  27  -3.128   4.104  -2.730
   14    H    GLY  28           HN       GLY  28   1.622  -2.152   0.265
   15   1HA   GLY  28          1HA       GLY  28   4.424  -2.349   0.261
   16   2HA   GLY  28          2HA       GLY  28   3.913  -1.769   1.835
   17    HA   PRO  29           HA       PRO  29   2.467  -5.731   2.896
   18   1HB   PRO  29          2HB       PRO  29   0.013  -5.403   4.054
   19   2HB   PRO  29          3HB       PRO  29   1.517  -5.052   4.881
   20   1HG   PRO  29          2HG       PRO  29  -0.450  -3.168   3.732
   21   2HG   PRO  29          3HG       PRO  29   0.810  -2.856   4.909
   22   1HD   PRO  29          2HD       PRO  29   0.857  -2.178   2.122
   23   2HD   PRO  29          3HD       PRO  29   2.163  -1.971   3.274
   24    H    VAL  30           HN       VAL  30   1.838  -7.582   1.942
   25    HA   VAL  30           HA       VAL  30  -0.073  -7.159  -0.226
   26    HB   VAL  30           HB       VAL  30   2.133  -8.098  -0.746
   27   1HG1  VAL  30          1HG1      VAL  30   1.303 -10.201   1.257
   28   2HG1  VAL  30          2HG1      VAL  30   2.487 -10.552  -0.025
   29   3HG1  VAL  30          3HG1      VAL  30   2.819  -9.272   1.166
   30   1HG2  VAL  30          1HG2      VAL  30   1.187  -9.242  -2.415
   31   2HG2  VAL  30          2HG2      VAL  30   0.603 -10.505  -1.305
   32   3HG2  VAL  30          3HG2      VAL  30  -0.370  -9.040  -1.576
   33    H    CYS  31           HN       CYS  31  -2.076  -8.134  -0.271
   34    HA   CYS  31           HA       CYS  31  -2.866  -9.395   2.209
   35   1HB   CYS  31          2HB       CYS  31  -4.249  -7.573   1.258
   36   2HB   CYS  31          3HB       CYS  31  -4.544  -8.539  -0.174
   37    H    PHE  32           HN       PHE  32  -2.654 -11.601   2.355
   38    HA   PHE  32           HA       PHE  32  -2.407 -13.143  -0.062
   39   1HB   PHE  32          2HB       PHE  32  -1.477 -13.208   2.613
   40   2HB   PHE  32          3HB       PHE  32  -2.669 -14.493   2.589
   41    HD1  PHE  32           HD1      PHE  32   0.200 -13.262   0.534
   42    HD2  PHE  32           HD2      PHE  32  -1.956 -16.607   2.008
   43    HE1  PHE  32           HE1      PHE  32   1.885 -14.805  -0.503
   44    HE2  PHE  32           HE2      PHE  32  -0.271 -18.150   0.972
   45    HZ   PHE  32           HZ       PHE  32   1.630 -17.232  -0.272
   46    H    SER  33           HN       SER  33  -5.053 -11.804   1.087
   47    HA   SER  33           HA       SER  33  -6.605 -14.270   1.091
   48   1HB   SER  33          2HB       SER  33  -6.839 -12.774   3.089
   49   2HB   SER  33          3HB       SER  33  -7.399 -11.483   2.045
   50    HG   SER  33           HG       SER  33  -8.728 -14.028   1.989
   51    H    CYS  34           HN       CYS  34  -6.380 -10.915  -0.242
   52    HA   CYS  34           HA       CYS  34  -8.291 -11.718  -2.304
   53   1HB   CYS  34          2HB       CYS  34  -8.510  -9.264  -2.743
   54   2HB   CYS  34          3HB       CYS  34  -9.057  -9.763  -1.156
   55    H    GLY  35           HN       GLY  35  -5.013 -10.493  -1.556
   56   1HA   GLY  35          1HA       GLY  35  -3.152 -10.977  -2.870
   57   2HA   GLY  35          2HA       GLY  35  -4.177 -11.193  -4.275
   58    H    LYS  36           HN       LYS  36  -4.697  -8.427  -2.109
   59    HA   LYS  36           HA       LYS  36  -3.774  -6.693  -4.279
   60   1HB   LYS  36          2HB       LYS  36  -5.846  -6.418  -2.117
   61   2HB   LYS  36          3HB       LYS  36  -5.139  -4.985  -2.836
   62   1HG   LYS  36          2HG       LYS  36  -5.724  -5.964  -5.132
   63   2HG   LYS  36          3HG       LYS  36  -6.611  -7.224  -4.297
   64   1HD   LYS  36          2HD       LYS  36  -8.388  -5.798  -4.390
   65   2HD   LYS  36          3HD       LYS  36  -7.614  -4.958  -3.062
   66   1HE   LYS  36          2HE       LYS  36  -7.011  -3.173  -4.372
   67   2HE   LYS  36          3HE       LYS  36  -6.517  -4.195  -5.708
   68   1HZ   LYS  36          1HZ       LYS  36  -9.181  -3.201  -5.079
   69   2HZ   LYS  36          2HZ       LYS  36  -8.378  -3.163  -6.499
   70   3HZ   LYS  36          3HZ       LYS  36  -9.023  -4.563  -5.964
   71    H    THR  37           HN       THR  37  -3.206  -4.349  -3.051
   72    HA   THR  37           HA       THR  37  -1.152  -5.058  -1.062
   73    HB   THR  37           HB       THR  37   0.424  -3.694  -2.245
   74    HG1  THR  37           HG1      THR  37  -0.535  -2.358  -4.069
   75   1HG2  THR  37          1HG2      THR  37  -1.264  -4.710  -4.573
   76   2HG2  THR  37          2HG2      THR  37   0.505  -4.545  -4.490
   77   3HG2  THR  37          3HG2      THR  37  -0.313  -5.827  -3.565
   78    H    GLY  38           HN       GLY  38  -0.787  -3.609   0.623
   79   1HA   GLY  38          1HA       GLY  38  -1.130  -1.362   1.476
   80   2HA   GLY  38          2HA       GLY  38  -2.735  -1.387   0.772
   81    H    HIS  39           HN       HIS  39  -1.952  -4.510   1.924
   82    HA   HIS  39           HA       HIS  39  -2.357  -4.230   4.654
   83   1HB   HIS  39          2HB       HIS  39  -4.659  -4.829   4.959
   84   2HB   HIS  39          3HB       HIS  39  -4.577  -3.378   3.979
   85    HD1  HIS  39           HD1      HIS  39  -4.773  -3.888   1.240
   86    HD2  HIS  39           HD2      HIS  39  -6.243  -6.787   3.892
   87    HE1  HIS  39           HE1      HIS  39  -6.355  -5.359  -0.115
   88    H    ILE  40           HN       ILE  40  -2.541  -6.359   5.721
   89    HA   ILE  40           HA       ILE  40  -1.606  -8.450   3.901
   90    HB   ILE  40           HB       ILE  40  -1.316  -8.082   6.883
   91   1HG1  ILE  40          2HG1      ILE  40   1.192  -8.293   5.701
   92   2HG1  ILE  40          3HG1      ILE  40   0.292  -7.314   4.562
   93   1HG2  ILE  40          1HG2      ILE  40   0.267 -10.076   6.621
   94   2HG2  ILE  40          2HG2      ILE  40  -1.483 -10.405   6.622
   95   3HG2  ILE  40          3HG2      ILE  40  -0.581 -10.392   5.088
   96   1HD1  ILE  40          1HD1      ILE  40  -0.146  -5.618   6.147
   97   2HD1  ILE  40          2HD1      ILE  40   0.127  -6.708   7.527
   98   3HD1  ILE  40          3HD1      ILE  40   1.507  -6.130   6.562
   99    H    LYS  41           HN       LYS  41  -2.360 -10.712   4.369
  100    HA   LYS  41           HA       LYS  41  -5.066 -10.924   4.150
  101   1HB   LYS  41          2HB       LYS  41  -4.689 -13.333   4.834
  102   2HB   LYS  41          3HB       LYS  41  -3.725 -12.747   3.494
  103   1HG   LYS  41          2HG       LYS  41  -1.920 -13.521   4.646
  104   2HG   LYS  41          3HG       LYS  41  -2.115 -12.114   5.673
  105   1HD   LYS  41          2HD       LYS  41  -3.768 -13.523   7.072
  106   2HD   LYS  41          3HD       LYS  41  -3.226 -14.912   6.151
  107   1HE   LYS  41          2HE       LYS  41  -1.023 -14.806   7.027
  108   2HE   LYS  41          3HE       LYS  41  -1.173 -13.118   7.475
  109   1HZ   LYS  41          1HZ       LYS  41  -2.185 -13.655   9.377
  110   2HZ   LYS  41          2HZ       LYS  41  -3.035 -14.899   8.748
  111   3HZ   LYS  41          3HZ       LYS  41  -1.472 -15.109   9.173
  112    H    ARG  42           HN       ARG  42  -3.083 -11.347   7.162
  113    HA   ARG  42           HA       ARG  42  -5.210 -11.838   8.810
  114   1HB   ARG  42          2HB       ARG  42  -2.514 -11.746   9.143
  115   2HB   ARG  42          3HB       ARG  42  -2.913 -10.207   9.881
  116   1HG   ARG  42          2HG       ARG  42  -4.823 -11.813  11.039
  117   2HG   ARG  42          3HG       ARG  42  -3.533 -12.978  10.814
  118   1HD   ARG  42          2HD       ARG  42  -2.850 -12.137  12.859
  119   2HD   ARG  42          3HD       ARG  42  -2.042 -10.964  11.836
  120    HE   ARG  42           HE       ARG  42  -4.805 -10.238  12.539
  121   1HH1  ARG  42          2HH2      ARG  42  -1.413 -10.006  13.445
  122   2HH1  ARG  42          1HH2      ARG  42  -1.637  -8.591  14.418
  123   1HH2  ARG  42          2HH1      ARG  42  -5.102  -8.370  13.823
  124   2HH2  ARG  42          1HH1      ARG  42  -3.750  -7.654  14.634
  125    H    ASP  43           HN       ASP  43  -3.895  -8.792   7.505
  126    HA   ASP  43           HA       ASP  43  -5.312  -7.161   9.333
  127   1HB   ASP  43          2HB       ASP  43  -4.271  -6.318   6.600
  128   2HB   ASP  43          3HB       ASP  43  -4.477  -5.313   8.021
  129    H    CYS  44           HN       CYS  44  -6.006  -8.921   6.402
  130    HA   CYS  44           HA       CYS  44  -8.097  -7.175   5.512
  131   1HB   CYS  44          2HB       CYS  44  -6.591  -8.744   4.078
  132   2HB   CYS  44          3HB       CYS  44  -7.701 -10.011   4.563
  133    H    LYS  45           HN       LYS  45 -10.028  -7.095   6.607
  134    HA   LYS  45           HA       LYS  45 -11.372  -9.533   7.249
  135   1HB   LYS  45          2HB       LYS  45 -10.183  -7.839   9.444
  136   2HB   LYS  45          3HB       LYS  45 -11.644  -8.768   9.712
  137   1HG   LYS  45          2HG       LYS  45 -10.251 -10.763   8.649
  138   2HG   LYS  45          3HG       LYS  45  -8.862  -9.772   9.053
  139   1HD   LYS  45          2HD       LYS  45  -9.891  -9.599  11.439
  140   2HD   LYS  45          3HD       LYS  45 -10.958 -10.901  10.951
  141   1HE   LYS  45          2HE       LYS  45  -8.672 -12.065  10.184
  142   2HE   LYS  45          3HE       LYS  45  -7.957 -10.948  11.329
  143   1HZ   LYS  45          1HZ       LYS  45  -9.860 -11.840  12.826
  144   2HZ   LYS  45          2HZ       LYS  45  -9.801 -13.130  11.826
  145   3HZ   LYS  45          3HZ       LYS  45  -8.471 -12.684  12.662
  146    H    GLU  46           HN       GLU  46 -12.405  -8.145   5.418
  147    HA   GLU  46           HA       GLU  46 -14.739  -7.106   6.436
  148   1HB   GLU  46          2HB       GLU  46 -14.425  -4.672   5.699
  149   2HB   GLU  46          3HB       GLU  46 -13.627  -5.134   7.189
  150   1HG   GLU  46          2HG       GLU  46 -11.476  -5.377   6.043
  151   2HG   GLU  46          3HG       GLU  46 -12.229  -5.161   4.476
  152    H    GLU  47           HN       GLU  47 -12.285  -7.114   3.825
  153    HA   GLU  47           HA       GLU  47 -14.128  -6.540   1.786
  154   1HB   GLU  47          2HB       GLU  47 -11.282  -7.489   1.947
  155   2HB   GLU  47          3HB       GLU  47 -12.122  -7.737   0.429
  156   1HG   GLU  47          2HG       GLU  47 -12.646  -5.046   1.455
  157   2HG   GLU  47          3HG       GLU  47 -10.921  -5.333   1.349
  Start of MODEL    9
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   1.659   1.236  -0.976
    3   1HB   LYS  27          2HB       LYS  27   3.281  -0.675  -0.961
    4   2HB   LYS  27          3HB       LYS  27   3.040   0.101   0.591
    5   1HG   LYS  27          2HG       LYS  27   1.132  -2.110   0.134
    6   2HG   LYS  27          3HG       LYS  27   2.801  -2.643   0.066
    7   1HD   LYS  27          2HD       LYS  27   3.243  -1.585   2.281
    8   2HD   LYS  27          3HD       LYS  27   1.590  -1.008   2.347
    9   1HE   LYS  27          2HE       LYS  27   0.921  -2.986   3.229
   10   2HE   LYS  27          3HE       LYS  27   1.468  -3.827   1.792
   11   1HZ   LYS  27          1HZ       LYS  27   2.671  -4.704   3.558
   12   2HZ   LYS  27          2HZ       LYS  27   3.733  -3.706   2.823
   13   3HZ   LYS  27          3HZ       LYS  27   3.010  -3.246   4.213
   14    H    GLY  28           HN       GLY  28  -0.734  -1.328  -0.873
   15   1HA   GLY  28          1HA       GLY  28  -1.246  -1.129  -3.646
   16   2HA   GLY  28          2HA       GLY  28  -0.307  -2.573  -3.326
   17    HA   PRO  29           HA       PRO  29  -4.570  -2.896  -1.217
   18   1HB   PRO  29          2HB       PRO  29  -6.586  -1.407  -2.305
   19   2HB   PRO  29          3HB       PRO  29  -5.708  -0.925  -0.867
   20   1HG   PRO  29          2HG       PRO  29  -5.483   0.133  -3.619
   21   2HG   PRO  29          3HG       PRO  29  -4.949   0.860  -2.116
   22   1HD   PRO  29          2HD       PRO  29  -3.304  -0.438  -4.074
   23   2HD   PRO  29          3HD       PRO  29  -2.788   0.186  -2.519
   24    H    VAL  30           HN       VAL  30  -5.683  -4.732  -1.594
   25    HA   VAL  30           HA       VAL  30  -5.810  -5.416  -4.434
   26    HB   VAL  30           HB       VAL  30  -4.570  -6.889  -2.904
   27   1HG1  VAL  30          1HG1      VAL  30  -6.905  -8.092  -1.622
   28   2HG1  VAL  30          2HG1      VAL  30  -5.344  -7.598  -0.925
   29   3HG1  VAL  30          3HG1      VAL  30  -6.649  -6.404  -1.123
   30   1HG2  VAL  30          1HG2      VAL  30  -6.913  -8.575  -3.609
   31   2HG2  VAL  30          2HG2      VAL  30  -6.212  -7.609  -4.930
   32   3HG2  VAL  30          3HG2      VAL  30  -5.192  -8.758  -4.030
   33    H    CYS  31           HN       CYS  31  -7.745  -5.788  -5.483
   34    HA   CYS  31           HA       CYS  31 -10.093  -4.979  -3.997
   35   1HB   CYS  31          2HB       CYS  31  -9.621  -3.945  -6.197
   36   2HB   CYS  31          3HB       CYS  31  -9.745  -5.516  -6.965
   37    H    PHE  32           HN       PHE  32 -11.261  -6.568  -2.975
   38    HA   PHE  32           HA       PHE  32 -10.898  -9.306  -3.790
   39   1HB   PHE  32          2HB       PHE  32 -11.330  -7.939  -1.413
   40   2HB   PHE  32          3HB       PHE  32 -12.975  -8.413  -1.788
   41    HD1  PHE  32           HD1      PHE  32 -13.529 -10.844  -2.018
   42    HD2  PHE  32           HD2      PHE  32  -9.755  -9.520  -0.599
   43    HE1  PHE  32           HE1      PHE  32 -13.096 -13.118  -1.048
   44    HE2  PHE  32           HE2      PHE  32  -9.322 -11.794   0.372
   45    HZ   PHE  32           HZ       PHE  32 -10.998 -13.566   0.135
   46    H    SER  33           HN       SER  33 -12.493  -7.047  -5.356
   47    HA   SER  33           HA       SER  33 -14.972  -8.564  -5.538
   48   1HB   SER  33          2HB       SER  33 -15.799  -6.455  -5.226
   49   2HB   SER  33          3HB       SER  33 -14.302  -5.684  -5.714
   50    HG   SER  33           HG       SER  33 -16.205  -6.883  -7.543
   51    H    CYS  34           HN       CYS  34 -12.337  -6.955  -7.421
   52    HA   CYS  34           HA       CYS  34 -13.221  -8.475  -9.758
   53   1HB   CYS  34          2HB       CYS  34 -11.796  -6.880 -11.058
   54   2HB   CYS  34          3HB       CYS  34 -13.160  -6.134 -10.248
   55    H    GLY  35           HN       GLY  35 -10.568  -7.753  -7.469
   56   1HA   GLY  35          1HA       GLY  35  -8.961  -9.324  -6.858
   57   2HA   GLY  35          2HA       GLY  35  -9.184 -10.170  -8.376
   58    H    LYS  36           HN       LYS  36  -8.938  -6.627  -8.341
   59    HA   LYS  36           HA       LYS  36  -6.360  -6.901  -9.700
   60   1HB   LYS  36          2HB       LYS  36  -8.588  -5.698 -10.602
   61   2HB   LYS  36          3HB       LYS  36  -7.889  -4.343  -9.740
   62   1HG   LYS  36          2HG       LYS  36  -5.763  -5.643 -11.195
   63   2HG   LYS  36          3HG       LYS  36  -7.108  -5.431 -12.297
   64   1HD   LYS  36          2HD       LYS  36  -7.195  -3.035 -11.867
   65   2HD   LYS  36          3HD       LYS  36  -6.071  -3.173 -10.529
   66   1HE   LYS  36          2HE       LYS  36  -4.238  -3.203 -11.905
   67   2HE   LYS  36          3HE       LYS  36  -4.995  -4.290 -13.053
   68   1HZ   LYS  36          1HZ       LYS  36  -5.718  -1.454 -12.840
   69   2HZ   LYS  36          2HZ       LYS  36  -4.579  -2.010 -13.871
   70   3HZ   LYS  36          3HZ       LYS  36  -6.130  -2.496 -14.029
   71    H    THR  37           HN       THR  37  -5.194  -4.475  -9.371
   72    HA   THR  37           HA       THR  37  -5.042  -4.140  -6.448
   73    HB   THR  37           HB       THR  37  -2.649  -4.195  -6.589
   74    HG1  THR  37           HG1      THR  37  -3.220  -4.053  -9.467
   75   1HG2  THR  37          1HG2      THR  37  -2.840  -6.085  -8.851
   76   2HG2  THR  37          2HG2      THR  37  -2.340  -6.392  -7.171
   77   3HG2  THR  37          3HG2      THR  37  -4.067  -6.406  -7.601
   78    H    GLY  38           HN       GLY  38  -4.762  -2.062  -5.656
   79   1HA   GLY  38          1HA       GLY  38  -4.076   0.223  -6.180
   80   2HA   GLY  38          2HA       GLY  38  -4.920   0.067  -7.707
   81    H    HIS  39           HN       HIS  39  -6.586  -1.651  -5.246
   82    HA   HIS  39           HA       HIS  39  -7.907   0.402  -3.931
   83   1HB   HIS  39          2HB       HIS  39 -10.023   0.533  -5.068
   84   2HB   HIS  39          3HB       HIS  39  -8.740   0.993  -6.171
   85    HD1  HIS  39           HD1      HIS  39  -7.842  -1.336  -7.630
   86    HD2  HIS  39           HD2      HIS  39 -11.812  -1.103  -6.298
   87    HE1  HIS  39           HE1      HIS  39  -9.175  -2.966  -9.071
   88    H    ILE  40           HN       ILE  40  -9.664  -0.447  -2.556
   89    HA   ILE  40           HA       ILE  40  -9.354  -3.338  -2.242
   90    HB   ILE  40           HB       ILE  40 -10.233  -1.169  -0.335
   91   1HG1  ILE  40          2HG1      ILE  40  -8.066  -2.541   0.729
   92   2HG1  ILE  40          3HG1      ILE  40  -7.667  -2.426  -0.974
   93   1HG2  ILE  40          1HG2      ILE  40 -11.538  -3.029   0.274
   94   2HG2  ILE  40          2HG2      ILE  40 -10.210  -4.173  -0.032
   95   3HG2  ILE  40          3HG2      ILE  40 -10.130  -3.069   1.360
   96   1HD1  ILE  40          1HD1      ILE  40  -7.711  -0.063  -0.972
   97   2HD1  ILE  40          2HD1      ILE  40  -8.714   0.009   0.497
   98   3HD1  ILE  40          3HD1      ILE  40  -6.998  -0.449   0.613
   99    H    LYS  41           HN       LYS  41 -11.342  -4.572  -1.566
  100    HA   LYS  41           HA       LYS  41 -13.293  -4.410  -3.462
  101   1HB   LYS  41          2HB       LYS  41 -14.644  -5.810  -1.841
  102   2HB   LYS  41          3HB       LYS  41 -13.050  -6.414  -2.247
  103   1HG   LYS  41          2HG       LYS  41 -12.692  -6.545  -0.002
  104   2HG   LYS  41          3HG       LYS  41 -12.501  -4.803  -0.047
  105   1HD   LYS  41          2HD       LYS  41 -14.977  -4.548   0.351
  106   2HD   LYS  41          3HD       LYS  41 -15.120  -6.291   0.464
  107   1HE   LYS  41          2HE       LYS  41 -13.166  -4.776   2.236
  108   2HE   LYS  41          3HE       LYS  41 -14.857  -4.912   2.680
  109   1HZ   LYS  41          1HZ       LYS  41 -14.675  -7.250   2.694
  110   2HZ   LYS  41          2HZ       LYS  41 -13.180  -7.235   2.036
  111   3HZ   LYS  41          3HZ       LYS  41 -13.409  -6.683   3.556
  112    H    ARG  42           HN       ARG  42 -13.443  -3.121  -0.069
  113    HA   ARG  42           HA       ARG  42 -15.939  -2.041  -0.303
  114   1HB   ARG  42          2HB       ARG  42 -15.417  -0.812   1.701
  115   2HB   ARG  42          3HB       ARG  42 -14.471  -2.284   1.797
  116   1HG   ARG  42          2HG       ARG  42 -12.508  -1.009   0.793
  117   2HG   ARG  42          3HG       ARG  42 -13.466   0.455   0.896
  118   1HD   ARG  42          2HD       ARG  42 -13.244   0.607   3.191
  119   2HD   ARG  42          3HD       ARG  42 -13.347  -1.127   3.424
  120    HE   ARG  42           HE       ARG  42 -10.873  -0.295   2.096
  121   1HH1  ARG  42          2HH2      ARG  42 -12.444  -0.787   5.205
  122   2HH1  ARG  42          1HH2      ARG  42 -10.957  -0.991   6.068
  123   1HH2  ARG  42          2HH1      ARG  42  -8.911  -0.564   3.234
  124   2HH2  ARG  42          1HH1      ARG  42  -8.933  -0.863   4.940
  125    H    ASP  43           HN       ASP  43 -12.770  -0.877  -1.433
  126    HA   ASP  43           HA       ASP  43 -13.652   1.772  -1.867
  127   1HB   ASP  43          2HB       ASP  43 -11.304   0.362  -3.204
  128   2HB   ASP  43          3HB       ASP  43 -11.492   2.086  -2.950
  129    H    CYS  44           HN       CYS  44 -13.690  -1.320  -3.584
  130    HA   CYS  44           HA       CYS  44 -14.017  -0.170  -6.176
  131   1HB   CYS  44          2HB       CYS  44 -13.028  -2.494  -5.548
  132   2HB   CYS  44          3HB       CYS  44 -14.697  -3.021  -5.458
  133    H    LYS  45           HN       LYS  45 -15.819   1.329  -5.500
  134    HA   LYS  45           HA       LYS  45 -18.322   0.028  -4.848
  135   1HB   LYS  45          2HB       LYS  45 -17.717   2.053  -3.646
  136   2HB   LYS  45          3HB       LYS  45 -17.546   2.943  -5.146
  137   1HG   LYS  45          2HG       LYS  45 -20.152   1.659  -5.105
  138   2HG   LYS  45          3HG       LYS  45 -19.928   2.539  -3.607
  139   1HD   LYS  45          2HD       LYS  45 -19.431   3.748  -6.368
  140   2HD   LYS  45          3HD       LYS  45 -20.944   3.908  -5.496
  141   1HE   LYS  45          2HE       LYS  45 -19.849   5.107  -3.667
  142   2HE   LYS  45          3HE       LYS  45 -18.260   4.771  -4.325
  143   1HZ   LYS  45          1HZ       LYS  45 -18.464   6.430  -5.761
  144   2HZ   LYS  45          2HZ       LYS  45 -19.998   6.058  -6.179
  145   3HZ   LYS  45          3HZ       LYS  45 -19.710   6.957  -4.846
  146    H    GLU  46           HN       GLU  46 -18.177  -1.233  -6.955
  147    HA   GLU  46           HA       GLU  46 -20.014  -0.235  -8.713
  148   1HB   GLU  46          2HB       GLU  46 -18.493   0.092 -10.759
  149   2HB   GLU  46          3HB       GLU  46 -18.507   1.389  -9.582
  150   1HG   GLU  46          2HG       GLU  46 -16.493  -0.437  -8.708
  151   2HG   GLU  46          3HG       GLU  46 -16.275  -0.275 -10.439
  152    H    GLU  47           HN       GLU  47 -17.080  -2.239  -8.221
  153    HA   GLU  47           HA       GLU  47 -16.654  -4.330  -8.614
  154   1HB   GLU  47          2HB       GLU  47 -19.673  -4.606  -8.956
  155   2HB   GLU  47          3HB       GLU  47 -18.569  -5.963  -8.849
  156   1HG   GLU  47          2HG       GLU  47 -17.754  -4.805  -6.615
  157   2HG   GLU  47          3HG       GLU  47 -19.270  -3.930  -6.709
  Start of MODEL   10
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   2.297   0.257  -0.213
    3   1HB   LYS  27          2HB       LYS  27   1.962  -1.161  -2.253
    4   2HB   LYS  27          3HB       LYS  27   1.514  -1.924  -0.742
    5   1HG   LYS  27          2HG       LYS  27  -0.897  -0.893  -1.322
    6   2HG   LYS  27          3HG       LYS  27  -0.267  -0.905  -2.957
    7   1HD   LYS  27          2HD       LYS  27   0.447  -3.404  -2.339
    8   2HD   LYS  27          3HD       LYS  27  -0.793  -3.243  -1.111
    9   1HE   LYS  27          2HE       LYS  27  -2.530  -3.024  -2.686
   10   2HE   LYS  27          3HE       LYS  27  -1.468  -2.405  -3.935
   11   1HZ   LYS  27          1HZ       LYS  27  -2.192  -4.724  -4.244
   12   2HZ   LYS  27          2HZ       LYS  27  -0.568  -4.550  -4.243
   13   3HZ   LYS  27          3HZ       LYS  27  -1.325  -5.161  -2.931
   14    H    GLY  28           HN       GLY  28  -0.670   0.915  -2.215
   15   1HA   GLY  28          1HA       GLY  28  -0.783   3.378  -2.798
   16   2HA   GLY  28          2HA       GLY  28   0.822   3.138  -3.463
   17    HA   PRO  29           HA       PRO  29  -2.503   1.855  -6.474
   18   1HB   PRO  29          2HB       PRO  29  -2.964   4.147  -7.891
   19   2HB   PRO  29          3HB       PRO  29  -4.005   3.596  -6.594
   20   1HG   PRO  29          2HG       PRO  29  -2.032   5.798  -6.578
   21   2HG   PRO  29          3HG       PRO  29  -3.360   5.504  -5.471
   22   1HD   PRO  29          2HD       PRO  29  -0.578   5.000  -4.988
   23   2HD   PRO  29          3HD       PRO  29  -1.915   4.600  -3.928
   24    H    VAL  30           HN       VAL  30  -1.953   0.855  -8.342
   25    HA   VAL  30           HA       VAL  30   0.641   1.752  -9.366
   26    HB   VAL  30           HB       VAL  30   0.414  -0.557  -8.500
   27   1HG1  VAL  30          1HG1      VAL  30  -2.041  -0.616  -9.611
   28   2HG1  VAL  30          2HG1      VAL  30  -1.118  -1.429 -10.897
   29   3HG1  VAL  30          3HG1      VAL  30  -1.102  -2.083  -9.241
   30   1HG2  VAL  30          1HG2      VAL  30   1.845  -1.422 -10.065
   31   2HG2  VAL  30          2HG2      VAL  30   0.849  -0.887 -11.439
   32   3HG2  VAL  30          3HG2      VAL  30   1.868   0.285 -10.568
   33    H    CYS  31           HN       CYS  31   0.897   2.392 -11.500
   34    HA   CYS  31           HA       CYS  31  -1.597   2.891 -12.891
   35   1HB   CYS  31          2HB       CYS  31   0.007   4.752 -12.572
   36   2HB   CYS  31          3HB       CYS  31   1.208   3.878 -13.502
   37    H    PHE  32           HN       PHE  32  -2.281   1.323 -14.308
   38    HA   PHE  32           HA       PHE  32  -0.388  -0.611 -15.278
   39   1HB   PHE  32          2HB       PHE  32  -3.162  -0.417 -14.676
   40   2HB   PHE  32          3HB       PHE  32  -3.134  -0.517 -16.425
   41    HD1  PHE  32           HD1      PHE  32  -3.505  -2.636 -17.222
   42    HD2  PHE  32           HD2      PHE  32  -1.285  -2.190 -13.633
   43    HE1  PHE  32           HE1      PHE  32  -3.240  -5.128 -17.075
   44    HE2  PHE  32           HE2      PHE  32  -1.021  -4.681 -13.486
   45    HZ   PHE  32           HZ       PHE  32  -2.002  -6.121 -15.209
   46    H    SER  33           HN       SER  33  -0.666   2.457 -16.154
   47    HA   SER  33           HA       SER  33  -0.874   1.893 -19.000
   48   1HB   SER  33          2HB       SER  33  -0.970   4.553 -17.505
   49   2HB   SER  33          3HB       SER  33  -1.116   4.376 -19.243
   50    HG   SER  33           HG       SER  33  -3.100   3.355 -19.022
   51    H    CYS  34           HN       CYS  34   1.118   3.585 -16.489
   52    HA   CYS  34           HA       CYS  34   3.302   3.678 -18.426
   53   1HB   CYS  34          2HB       CYS  34   4.349   5.273 -16.786
   54   2HB   CYS  34          3HB       CYS  34   2.874   5.845 -17.539
   55    H    GLY  35           HN       GLY  35   2.208   2.508 -15.216
   56   1HA   GLY  35          1HA       GLY  35   2.929   0.470 -14.324
   57   2HA   GLY  35          2HA       GLY  35   4.434   0.596 -15.214
   58    H    LYS  36           HN       LYS  36   3.158   3.462 -13.568
   59    HA   LYS  36           HA       LYS  36   5.391   3.250 -11.689
   60   1HB   LYS  36          2HB       LYS  36   4.202   5.421 -13.238
   61   2HB   LYS  36          3HB       LYS  36   4.335   5.828 -11.540
   62   1HG   LYS  36          2HG       LYS  36   6.711   4.475 -12.784
   63   2HG   LYS  36          3HG       LYS  36   6.393   6.122 -13.293
   64   1HD   LYS  36          2HD       LYS  36   6.628   6.986 -11.078
   65   2HD   LYS  36          3HD       LYS  36   6.410   5.411 -10.340
   66   1HE   LYS  36          2HE       LYS  36   8.646   5.048 -12.011
   67   2HE   LYS  36          3HE       LYS  36   8.872   6.663 -11.368
   68   1HZ   LYS  36          1HZ       LYS  36   8.413   4.226  -9.792
   69   2HZ   LYS  36          2HZ       LYS  36   9.808   5.069  -9.895
   70   3HZ   LYS  36          3HZ       LYS  36   8.510   5.728  -9.155
   71    H    THR  37           HN       THR  37   4.645   4.822  -9.611
   72    HA   THR  37           HA       THR  37   2.111   3.641  -8.685
   73    HB   THR  37           HB       THR  37   3.166   3.061  -6.610
   74    HG1  THR  37           HG1      THR  37   5.439   4.585  -7.672
   75   1HG2  THR  37          1HG2      THR  37   4.291   2.043  -8.972
   76   2HG2  THR  37          2HG2      THR  37   5.707   2.631  -8.066
   77   3HG2  THR  37          3HG2      THR  37   4.615   1.432  -7.331
   78    H    GLY  38           HN       GLY  38   0.789   4.912  -7.377
   79   1HA   GLY  38          1HA       GLY  38   0.652   6.912  -5.985
   80   2HA   GLY  38          2HA       GLY  38   1.645   7.738  -7.169
   81    H    HIS  39           HN       HIS  39  -0.488   5.474  -8.664
   82    HA   HIS  39           HA       HIS  39  -2.860   6.910  -8.697
   83   1HB   HIS  39          2HB       HIS  39  -2.811   8.027 -10.830
   84   2HB   HIS  39          3HB       HIS  39  -1.532   8.653  -9.810
   85    HD1  HIS  39           HD1      HIS  39   0.867   7.035 -10.274
   86    HD2  HIS  39           HD2      HIS  39  -1.880   7.733 -13.366
   87    HE1  HIS  39           HE1      HIS  39   2.135   6.655 -12.456
   88    H    ILE  40           HN       ILE  40  -4.436   5.932 -10.192
   89    HA   ILE  40           HA       ILE  40  -3.562   3.240 -10.918
   90    HB   ILE  40           HB       ILE  40  -6.288   4.432 -10.413
   91   1HG1  ILE  40          2HG1      ILE  40  -5.940   2.323  -8.691
   92   2HG1  ILE  40          3HG1      ILE  40  -4.316   2.977  -8.773
   93   1HG2  ILE  40          1HG2      ILE  40  -6.633   2.842 -12.129
   94   2HG2  ILE  40          2HG2      ILE  40  -5.496   1.686 -11.395
   95   3HG2  ILE  40          3HG2      ILE  40  -7.054   2.025 -10.604
   96   1HD1  ILE  40          1HD1      ILE  40  -6.697   4.819  -8.377
   97   2HD1  ILE  40          2HD1      ILE  40  -5.949   3.972  -7.001
   98   3HD1  ILE  40          3HD1      ILE  40  -4.987   5.111  -7.974
   99    H    LYS  41           HN       LYS  41  -4.530   2.310 -12.969
  100    HA   LYS  41           HA       LYS  41  -3.718   3.754 -15.146
  101   1HB   LYS  41          2HB       LYS  41  -4.994   2.089 -16.471
  102   2HB   LYS  41          3HB       LYS  41  -3.983   1.370 -15.234
  103   1HG   LYS  41          2HG       LYS  41  -6.088   1.397 -13.713
  104   2HG   LYS  41          3HG       LYS  41  -7.003   1.769 -15.161
  105   1HD   LYS  41          2HD       LYS  41  -5.152  -0.482 -15.590
  106   2HD   LYS  41          3HD       LYS  41  -6.257  -0.796 -14.267
  107   1HE   LYS  41          2HE       LYS  41  -7.532   0.421 -16.671
  108   2HE   LYS  41          3HE       LYS  41  -6.860  -1.175 -16.940
  109   1HZ   LYS  41          1HZ       LYS  41  -8.242  -1.090 -14.496
  110   2HZ   LYS  41          2HZ       LYS  41  -9.217  -0.581 -15.703
  111   3HZ   LYS  41          3HZ       LYS  41  -8.506  -2.049 -15.792
  112    H    ARG  42           HN       ARG  42  -7.123   3.304 -13.955
  113    HA   ARG  42           HA       ARG  42  -8.274   4.908 -15.840
  114   1HB   ARG  42          2HB       ARG  42  -9.023   3.663 -13.315
  115   2HB   ARG  42          3HB       ARG  42  -9.721   5.270 -13.386
  116   1HG   ARG  42          2HG       ARG  42 -10.995   4.788 -15.313
  117   2HG   ARG  42          3HG       ARG  42  -9.927   3.497 -15.826
  118   1HD   ARG  42          2HD       ARG  42 -11.844   2.349 -15.011
  119   2HD   ARG  42          3HD       ARG  42 -10.698   2.224 -13.692
  120    HE   ARG  42           HE       ARG  42 -12.084   4.580 -13.153
  121   1HH1  ARG  42          2HH2      ARG  42 -12.999   1.225 -13.688
  122   2HH1  ARG  42          1HH2      ARG  42 -14.409   1.317 -12.686
  123   1HH2  ARG  42          2HH1      ARG  42 -13.944   4.701 -11.831
  124   2HH2  ARG  42          1HH1      ARG  42 -14.950   3.307 -11.624
  125    H    ASP  43           HN       ASP  43  -6.418   5.709 -12.936
  126    HA   ASP  43           HA       ASP  43  -7.391   8.362 -12.762
  127   1HB   ASP  43          2HB       ASP  43  -4.815   7.172 -11.633
  128   2HB   ASP  43          3HB       ASP  43  -5.584   8.653 -11.098
  129    H    CYS  44           HN       CYS  44  -4.801   6.581 -14.425
  130    HA   CYS  44           HA       CYS  44  -3.270   8.917 -15.026
  131   1HB   CYS  44          2HB       CYS  44  -2.449   6.455 -14.787
  132   2HB   CYS  44          3HB       CYS  44  -2.989   6.269 -16.444
  133    H    LYS  45           HN       LYS  45  -3.526  10.244 -16.818
  134    HA   LYS  45           HA       LYS  45  -5.298   9.259 -18.937
  135   1HB   LYS  45          2HB       LYS  45  -5.558  11.714 -17.263
  136   2HB   LYS  45          3HB       LYS  45  -5.909  11.873 -18.972
  137   1HG   LYS  45          2HG       LYS  45  -7.242   9.531 -18.414
  138   2HG   LYS  45          3HG       LYS  45  -7.377  10.344 -16.867
  139   1HD   LYS  45          2HD       LYS  45  -7.909  12.179 -19.111
  140   2HD   LYS  45          3HD       LYS  45  -8.983  10.793 -19.138
  141   1HE   LYS  45          2HE       LYS  45 -10.192  12.148 -17.694
  142   2HE   LYS  45          3HE       LYS  45  -9.192  11.329 -16.512
  143   1HZ   LYS  45          1HZ       LYS  45  -7.590  13.268 -17.026
  144   2HZ   LYS  45          2HZ       LYS  45  -8.938  14.030 -17.545
  145   3HZ   LYS  45          3HZ       LYS  45  -8.842  13.498 -16.003
  146    H    GLU  46           HN       GLU  46  -3.184   8.659 -19.908
  147    HA   GLU  46           HA       GLU  46  -2.267  10.873 -21.469
  148   1HB   GLU  46          2HB       GLU  46  -0.755  11.061 -19.555
  149   2HB   GLU  46          3HB       GLU  46  -0.379   9.351 -19.621
  150   1HG   GLU  46          2HG       GLU  46   0.510   9.742 -21.999
  151   2HG   GLU  46          3HG       GLU  46   0.326  11.460 -21.711
  152    H    GLU  47           HN       GLU  47  -1.363   7.474 -20.516
  153    HA   GLU  47           HA       GLU  47  -0.694   5.795 -21.774
  154   1HB   GLU  47          2HB       GLU  47  -3.429   6.278 -22.066
  155   2HB   GLU  47          3HB       GLU  47  -2.905   6.030 -23.719
  156   1HG   GLU  47          2HG       GLU  47  -1.732   4.087 -21.805
  157   2HG   GLU  47          3HG       GLU  47  -3.481   4.009 -21.894
  Start of MODEL   11
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   1.646  -0.819  -0.759
    3   1HB   LYS  27          2HB       LYS  27  -0.311   0.485  -2.095
    4   2HB   LYS  27          3HB       LYS  27   1.004   1.616  -2.340
    5   1HG   LYS  27          2HG       LYS  27   2.342   0.031  -3.482
    6   2HG   LYS  27          3HG       LYS  27   1.505  -1.337  -2.778
    7   1HD   LYS  27          2HD       LYS  27  -0.094   0.542  -4.512
    8   2HD   LYS  27          3HD       LYS  27   1.038  -0.534  -5.307
    9   1HE   LYS  27          2HE       LYS  27  -0.612  -2.103  -5.214
   10   2HE   LYS  27          3HE       LYS  27  -0.223  -2.251  -3.511
   11   1HZ   LYS  27          1HZ       LYS  27  -2.050  -1.134  -2.940
   12   2HZ   LYS  27          2HZ       LYS  27  -1.961  -0.066  -4.172
   13   3HZ   LYS  27          3HZ       LYS  27  -2.599  -1.548  -4.421
   14    H    GLY  28           HN       GLY  28   2.964  -0.198   1.245
   15   1HA   GLY  28          1HA       GLY  28   5.122   0.618   1.575
   16   2HA   GLY  28          2HA       GLY  28   4.824   1.917   0.437
   17    HA   PRO  29           HA       PRO  29   2.992   3.000   4.704
   18   1HB   PRO  29          2HB       PRO  29   4.202   1.838   6.861
   19   2HB   PRO  29          3HB       PRO  29   2.698   1.255   6.176
   20   1HG   PRO  29          2HG       PRO  29   5.411   0.104   5.943
   21   2HG   PRO  29          3HG       PRO  29   3.865  -0.663   5.642
   22   1HD   PRO  29          2HD       PRO  29   5.718   0.294   3.673
   23   2HD   PRO  29          3HD       PRO  29   4.122  -0.365   3.377
   24    H    VAL  30           HN       VAL  30   3.489   5.043   5.180
   25    HA   VAL  30           HA       VAL  30   6.350   5.610   5.165
   26    HB   VAL  30           HB       VAL  30   4.889   6.837   3.637
   27   1HG1  VAL  30          1HG1      VAL  30   2.909   7.707   4.207
   28   2HG1  VAL  30          2HG1      VAL  30   3.083   6.863   5.764
   29   3HG1  VAL  30          3HG1      VAL  30   3.604   8.558   5.608
   30   1HG2  VAL  30          1HG2      VAL  30   5.440   9.222   4.717
   31   2HG2  VAL  30          2HG2      VAL  30   6.424   8.209   5.800
   32   3HG2  VAL  30          3HG2      VAL  30   6.704   8.165   4.043
   33    H    CYS  31           HN       CYS  31   7.450   6.418   6.941
   34    HA   CYS  31           HA       CYS  31   5.986   6.210   9.435
   35   1HB   CYS  31          2HB       CYS  31   8.136   5.000   9.177
   36   2HB   CYS  31          3HB       CYS  31   8.966   6.526   8.945
   37    H    PHE  32           HN       PHE  32   5.039   8.071  10.192
   38    HA   PHE  32           HA       PHE  32   5.967  10.611   9.211
   39   1HB   PHE  32          2HB       PHE  32   3.551   9.451  10.038
   40   2HB   PHE  32          3HB       PHE  32   3.979  10.394  11.452
   41    HD1  PHE  32           HD1      PHE  32   2.237  10.478   8.452
   42    HD2  PHE  32           HD2      PHE  32   4.780  12.890  10.846
   43    HE1  PHE  32           HE1      PHE  32   1.311  12.539   7.360
   44    HE2  PHE  32           HE2      PHE  32   3.853  14.951   9.753
   45    HZ   PHE  32           HZ       PHE  32   2.129  14.750   8.023
   46    H    SER  33           HN       SER  33   7.429   8.690  11.303
   47    HA   SER  33           HA       SER  33   7.723  10.729  13.359
   48   1HB   SER  33          2HB       SER  33   7.145   8.155  13.783
   49   2HB   SER  33          3HB       SER  33   8.877   7.951  13.612
   50    HG   SER  33           HG       SER  33   9.229   9.397  15.356
   51    H    CYS  34           HN       CYS  34   9.529   8.471  11.179
   52    HA   CYS  34           HA       CYS  34  11.925  10.067  11.676
   53   1HB   CYS  34          2HB       CYS  34  13.139   8.147  10.620
   54   2HB   CYS  34          3HB       CYS  34  12.322   7.748  12.118
   55    H    GLY  35           HN       GLY  35   9.584   8.865   9.246
   56   1HA   GLY  35          1HA       GLY  35   9.007  10.085   7.345
   57   2HA   GLY  35          2HA       GLY  35  10.562  10.893   7.369
   58    H    LYS  36           HN       LYS  36  10.365   7.384   7.893
   59    HA   LYS  36           HA       LYS  36  11.690   7.036   5.305
   60   1HB   LYS  36          2HB       LYS  36  12.273   6.108   7.932
   61   2HB   LYS  36          3HB       LYS  36  11.827   4.708   6.979
   62   1HG   LYS  36          2HG       LYS  36  13.421   5.949   5.160
   63   2HG   LYS  36          3HG       LYS  36  14.138   6.595   6.622
   64   1HD   LYS  36          2HD       LYS  36  15.374   4.638   6.439
   65   2HD   LYS  36          3HD       LYS  36  14.048   4.040   7.418
   66   1HE   LYS  36          2HE       LYS  36  13.095   3.794   4.773
   67   2HE   LYS  36          3HE       LYS  36  14.784   3.342   4.653
   68   1HZ   LYS  36          1HZ       LYS  36  13.247   1.522   5.248
   69   2HZ   LYS  36          2HZ       LYS  36  14.479   1.709   6.302
   70   3HZ   LYS  36          3HZ       LYS  36  12.984   2.238   6.691
   71    H    THR  37           HN       THR  37  11.256   4.437   4.692
   72    HA   THR  37           HA       THR  37   8.322   4.180   4.668
   73    HB   THR  37           HB       THR  37   8.409   3.706   2.320
   74    HG1  THR  37           HG1      THR  37  10.630   3.362   1.397
   75   1HG2  THR  37          1HG2      THR  37   9.825   5.498   1.278
   76   2HG2  THR  37          2HG2      THR  37   8.887   6.129   2.652
   77   3HG2  THR  37          3HG2      THR  37  10.617   5.763   2.851
   78    H    GLY  38           HN       GLY  38   7.461   2.071   4.704
   79   1HA   GLY  38          1HA       GLY  38   7.882  -0.301   4.586
   80   2HA   GLY  38          2HA       GLY  38   9.443  -0.032   5.334
   81    H    HIS  39           HN       HIS  39   7.050   2.079   6.639
   82    HA   HIS  39           HA       HIS  39   5.757   0.391   8.421
   83   1HB   HIS  39          2HB       HIS  39   6.948   0.709  10.479
   84   2HB   HIS  39          3HB       HIS  39   8.029  -0.011   9.301
   85    HD1  HIS  39           HD1      HIS  39   9.511   2.019   7.926
   86    HD2  HIS  39           HD2      HIS  39   8.141   2.753  11.822
   87    HE1  HIS  39           HE1      HIS  39  10.948   3.917   8.842
   88    H    ILE  40           HN       ILE  40   4.443   1.631   9.986
   89    HA   ILE  40           HA       ILE  40   4.122   4.376   9.028
   90    HB   ILE  40           HB       ILE  40   2.241   2.505  10.469
   91   1HG1  ILE  40          2HG1      ILE  40   1.129   3.302   8.044
   92   2HG1  ILE  40          3HG1      ILE  40   2.817   3.036   7.654
   93   1HG2  ILE  40          1HG2      ILE  40   1.608   4.592  11.279
   94   2HG2  ILE  40          2HG2      ILE  40   1.999   5.419   9.752
   95   3HG2  ILE  40          3HG2      ILE  40   0.564   4.370   9.855
   96   1HD1  ILE  40          1HD1      ILE  40   2.755   0.768   8.269
   97   2HD1  ILE  40          2HD1      ILE  40   1.361   0.998   9.351
   98   3HD1  ILE  40          3HD1      ILE  40   1.129   1.008   7.586
   99    H    LYS  41           HN       LYS  41   3.589   6.066  10.663
  100    HA   LYS  41           HA       LYS  41   5.530   6.314  12.550
  101   1HB   LYS  41          2HB       LYS  41   3.793   7.956  13.616
  102   2HB   LYS  41          3HB       LYS  41   4.475   8.287  12.037
  103   1HG   LYS  41          2HG       LYS  41   2.449   8.103  11.016
  104   2HG   LYS  41          3HG       LYS  41   2.111   6.572  11.798
  105   1HD   LYS  41          2HD       LYS  41   0.966   7.556  13.563
  106   2HD   LYS  41          3HD       LYS  41   1.959   8.999  13.551
  107   1HE   LYS  41          2HE       LYS  41   0.798   9.881  11.594
  108   2HE   LYS  41          3HE       LYS  41  -0.045   8.365  11.338
  109   1HZ   LYS  41          1HZ       LYS  41  -1.584   9.547  12.476
  110   2HZ   LYS  41          2HZ       LYS  41  -0.849   8.827  13.745
  111   3HZ   LYS  41          3HZ       LYS  41  -0.502  10.380  13.374
  112    H    ARG  42           HN       ARG  42   2.136   5.133  13.059
  113    HA   ARG  42           HA       ARG  42   2.418   4.692  15.747
  114   1HB   ARG  42          2HB       ARG  42   0.593   3.761  13.571
  115   2HB   ARG  42          3HB       ARG  42   0.632   2.722  14.982
  116   1HG   ARG  42          2HG       ARG  42   0.264   4.829  16.411
  117   2HG   ARG  42          3HG       ARG  42  -0.023   5.701  14.919
  118   1HD   ARG  42          2HD       ARG  42  -1.568   3.164  15.164
  119   2HD   ARG  42          3HD       ARG  42  -1.976   4.374  16.366
  120    HE   ARG  42           HE       ARG  42  -2.413   4.569  13.458
  121   1HH1  ARG  42          2HH2      ARG  42  -2.274   6.298  16.519
  122   2HH1  ARG  42          1HH2      ARG  42  -3.221   7.634  15.954
  123   1HH2  ARG  42          2HH1      ARG  42  -3.662   6.330  12.712
  124   2HH2  ARG  42          1HH1      ARG  42  -4.016   7.653  13.774
  125    H    ASP  43           HN       ASP  43   3.370   2.742  12.909
  126    HA   ASP  43           HA       ASP  43   3.802   0.381  14.378
  127   1HB   ASP  43          2HB       ASP  43   5.121   1.178  11.747
  128   2HB   ASP  43          3HB       ASP  43   4.835  -0.449  12.332
  129    H    CYS  44           HN       CYS  44   5.548   3.374  13.776
  130    HA   CYS  44           HA       CYS  44   8.142   2.273  14.257
  131   1HB   CYS  44          2HB       CYS  44   7.523   4.358  12.835
  132   2HB   CYS  44          3HB       CYS  44   7.459   5.211  14.364
  133    H    LYS  45           HN       LYS  45   9.045   1.940  16.270
  134    HA   LYS  45           HA       LYS  45   8.616   3.620  18.452
  135   1HB   LYS  45          2HB       LYS  45   6.326   2.455  18.243
  136   2HB   LYS  45          3HB       LYS  45   7.139   1.010  18.809
  137   1HG   LYS  45          2HG       LYS  45   7.746   3.444  20.410
  138   2HG   LYS  45          3HG       LYS  45   6.061   2.966  20.450
  139   1HD   LYS  45          2HD       LYS  45   7.937   0.685  20.746
  140   2HD   LYS  45          3HD       LYS  45   8.081   1.875  22.025
  141   1HE   LYS  45          2HE       LYS  45   5.617   1.737  22.437
  142   2HE   LYS  45          3HE       LYS  45   5.464   0.559  21.149
  143   1HZ   LYS  45          1HZ       LYS  45   5.666  -0.397  23.388
  144   2HZ   LYS  45          2HZ       LYS  45   6.809  -0.943  22.358
  145   3HZ   LYS  45          3HZ       LYS  45   7.194   0.169  23.489
  146    H    GLU  46           HN       GLU  46  10.961   3.119  17.663
  147    HA   GLU  46           HA       GLU  46  12.014   0.605  18.257
  148   1HB   GLU  46          2HB       GLU  46  14.192   1.667  17.938
  149   2HB   GLU  46          3HB       GLU  46  13.075   2.269  16.729
  150   1HG   GLU  46          2HG       GLU  46  13.339   3.784  19.332
  151   2HG   GLU  46          3HG       GLU  46  14.613   3.943  18.140
  152    H    GLU  47           HN       GLU  47  11.236   3.439  20.208
  153    HA   GLU  47           HA       GLU  47  12.996   2.934  22.305
  154   1HB   GLU  47          2HB       GLU  47  10.947   4.817  21.667
  155   2HB   GLU  47          3HB       GLU  47  10.527   4.150  23.231
  156   1HG   GLU  47          2HG       GLU  47  13.294   4.552  23.442
  157   2HG   GLU  47          3HG       GLU  47  12.767   5.927  22.493
  Start of MODEL   12
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   1.231   1.079  -1.394
    3   1HB   LYS  27          2HB       LYS  27   2.782   1.210   0.537
    4   2HB   LYS  27          3HB       LYS  27   2.883  -0.539   0.569
    5   1HG   LYS  27          2HG       LYS  27   4.653  -0.265  -0.849
    6   2HG   LYS  27          3HG       LYS  27   3.434  -0.051  -2.088
    7   1HD   LYS  27          2HD       LYS  27   3.588   2.497  -0.955
    8   2HD   LYS  27          3HD       LYS  27   5.249   1.948  -0.868
    9   1HE   LYS  27          2HE       LYS  27   5.535   2.108  -3.128
   10   2HE   LYS  27          3HE       LYS  27   4.029   1.278  -3.462
   11   1HZ   LYS  27          1HZ       LYS  27   3.911   3.516  -4.220
   12   2HZ   LYS  27          2HZ       LYS  27   2.879   3.357  -2.964
   13   3HZ   LYS  27          3HZ       LYS  27   4.310   4.115  -2.754
   14    H    GLY  28           HN       GLY  28   1.652  -0.102  -3.276
   15   1HA   GLY  28          1HA       GLY  28   0.350  -2.696  -3.379
   16   2HA   GLY  28          2HA       GLY  28   0.930  -1.730  -4.722
   17    HA   PRO  29           HA       PRO  29   4.006  -5.024  -3.518
   18   1HB   PRO  29          2HB       PRO  29   3.291  -7.132  -5.104
   19   2HB   PRO  29          3HB       PRO  29   2.847  -7.011  -3.413
   20   1HG   PRO  29          2HG       PRO  29   1.163  -6.593  -5.807
   21   2HG   PRO  29          3HG       PRO  29   0.665  -6.894  -4.153
   22   1HD   PRO  29          2HD       PRO  29   0.633  -4.375  -5.522
   23   2HD   PRO  29          3HD       PRO  29   0.247  -4.656  -3.837
   24    H    VAL  30           HN       VAL  30   5.984  -4.908  -4.408
   25    HA   VAL  30           HA       VAL  30   5.949  -3.958  -7.171
   26    HB   VAL  30           HB       VAL  30   7.070  -2.612  -5.446
   27   1HG1  VAL  30          1HG1      VAL  30   9.402  -4.384  -5.177
   28   2HG1  VAL  30          2HG1      VAL  30   8.555  -3.407  -3.955
   29   3HG1  VAL  30          3HG1      VAL  30   7.928  -5.011  -4.402
   30   1HG2  VAL  30          1HG2      VAL  30   9.211  -3.737  -7.252
   31   2HG2  VAL  30          2HG2      VAL  30   7.833  -2.822  -7.909
   32   3HG2  VAL  30          3HG2      VAL  30   8.937  -2.053  -6.743
   33    H    CYS  31           HN       CYS  31   6.857  -5.113  -8.853
   34    HA   CYS  31           HA       CYS  31   7.510  -7.859  -8.209
   35   1HB   CYS  31          2HB       CYS  31   5.886  -7.380 -10.015
   36   2HB   CYS  31          3HB       CYS  31   7.123  -6.516 -10.906
   37    H    PHE  32           HN       PHE  32   9.637  -8.361  -7.818
   38    HA   PHE  32           HA       PHE  32  11.677  -6.514  -8.676
   39   1HB   PHE  32          2HB       PHE  32  11.197  -8.628  -6.689
   40   2HB   PHE  32          3HB       PHE  32  12.700  -8.960  -7.526
   41    HD1  PHE  32           HD1      PHE  32  14.472  -7.128  -7.577
   42    HD2  PHE  32           HD2      PHE  32  11.102  -6.999  -5.000
   43    HE1  PHE  32           HE1      PHE  32  15.653  -5.465  -6.114
   44    HE2  PHE  32           HE2      PHE  32  12.283  -5.337  -3.537
   45    HZ   PHE  32           HZ       PHE  32  14.546  -4.590  -4.112
   46    H    SER  33           HN       SER  33  10.023  -8.477 -10.522
   47    HA   SER  33           HA       SER  33  12.364  -9.776 -11.674
   48   1HB   SER  33          2HB       SER  33  10.500 -11.293 -10.988
   49   2HB   SER  33          3HB       SER  33   9.409 -10.431 -12.053
   50    HG   SER  33           HG       SER  33  10.445 -11.229 -13.856
   51    H    CYS  34           HN       CYS  34   9.383  -7.851 -12.354
   52    HA   CYS  34           HA       CYS  34  10.504  -7.240 -14.986
   53   1HB   CYS  34          2HB       CYS  34   8.187  -6.499 -15.564
   54   2HB   CYS  34          3HB       CYS  34   8.323  -8.208 -15.202
   55    H    GLY  35           HN       GLY  35   9.362  -6.006 -11.839
   56   1HA   GLY  35          1HA       GLY  35  10.145  -4.060 -10.856
   57   2HA   GLY  35          2HA       GLY  35  10.622  -3.435 -12.421
   58    H    LYS  36           HN       LYS  36   7.435  -4.947 -12.007
   59    HA   LYS  36           HA       LYS  36   6.248  -2.304 -12.419
   60   1HB   LYS  36          2HB       LYS  36   5.937  -4.519 -13.914
   61   2HB   LYS  36          3HB       LYS  36   4.655  -4.798 -12.754
   62   1HG   LYS  36          2HG       LYS  36   3.352  -3.324 -13.877
   63   2HG   LYS  36          3HG       LYS  36   4.464  -2.042 -13.440
   64   1HD   LYS  36          2HD       LYS  36   4.994  -3.864 -15.822
   65   2HD   LYS  36          3HD       LYS  36   4.004  -2.426 -15.973
   66   1HE   LYS  36          2HE       LYS  36   6.810  -2.328 -14.785
   67   2HE   LYS  36          3HE       LYS  36   6.531  -2.182 -16.509
   68   1HZ   LYS  36          1HZ       LYS  36   4.962  -0.496 -14.753
   69   2HZ   LYS  36          2HZ       LYS  36   6.537  -0.115 -14.957
   70   3HZ   LYS  36          3HZ       LYS  36   5.540  -0.185 -16.248
   71    H    THR  37           HN       THR  37   3.714  -2.575 -11.499
   72    HA   THR  37           HA       THR  37   4.050  -3.373  -8.684
   73    HB   THR  37           HB       THR  37   3.042  -1.306  -8.003
   74    HG1  THR  37           HG1      THR  37   1.355  -0.945  -9.429
   75   1HG2  THR  37          1HG2      THR  37   5.382  -1.119  -9.377
   76   2HG2  THR  37          2HG2      THR  37   4.343  -0.172 -10.470
   77   3HG2  THR  37          3HG2      THR  37   4.529   0.321  -8.769
   78    H    GLY  38           HN       GLY  38   2.294  -4.326  -7.658
   79   1HA   GLY  38          1HA       GLY  38  -0.113  -4.719  -7.719
   80   2HA   GLY  38          2HA       GLY  38   0.024  -4.958  -9.449
   81    H    HIS  39           HN       HIS  39   2.820  -6.165  -7.873
   82    HA   HIS  39           HA       HIS  39   1.909  -8.596  -6.896
   83   1HB   HIS  39          2HB       HIS  39   2.416 -10.142  -8.670
   84   2HB   HIS  39          3HB       HIS  39   1.200  -9.006  -9.217
   85    HD1  HIS  39           HD1      HIS  39   2.410  -6.796 -10.565
   86    HD2  HIS  39           HD2      HIS  39   4.375 -10.501 -10.524
   87    HE1  HIS  39           HE1      HIS  39   4.063  -6.750 -12.508
   88    H    ILE  40           HN       ILE  40   3.726 -10.016  -6.289
   89    HA   ILE  40           HA       ILE  40   6.186  -8.447  -6.139
   90    HB   ILE  40           HB       ILE  40   5.156 -10.771  -4.514
   91   1HG1  ILE  40          2HG1      ILE  40   5.640  -8.604  -2.848
   92   2HG1  ILE  40          3HG1      ILE  40   4.957  -7.858  -4.280
   93   1HG2  ILE  40          1HG2      ILE  40   7.166 -10.195  -3.046
   94   2HG2  ILE  40          2HG2      ILE  40   7.481 -11.093  -4.550
   95   3HG2  ILE  40          3HG2      ILE  40   7.816  -9.347  -4.469
   96   1HD1  ILE  40          1HD1      ILE  40   3.671 -10.331  -3.077
   97   2HD1  ILE  40          2HD1      ILE  40   3.319  -8.709  -2.433
   98   3HD1  ILE  40          3HD1      ILE  40   2.938  -9.096  -4.129
   99    H    LYS  41           HN       LYS  41   8.281  -9.670  -6.332
  100    HA   LYS  41           HA       LYS  41   8.509 -10.846  -8.785
  101   1HB   LYS  41          2HB       LYS  41  10.507 -10.098  -7.952
  102   2HB   LYS  41          3HB       LYS  41  10.202 -10.701  -6.335
  103   1HG   LYS  41          2HG       LYS  41  10.820 -12.923  -6.900
  104   2HG   LYS  41          3HG       LYS  41  10.557 -12.667  -8.615
  105   1HD   LYS  41          2HD       LYS  41  12.511 -10.833  -8.261
  106   2HD   LYS  41          3HD       LYS  41  12.915 -11.879  -6.914
  107   1HE   LYS  41          2HE       LYS  41  12.517 -12.902  -9.764
  108   2HE   LYS  41          3HE       LYS  41  14.080 -12.447  -9.117
  109   1HZ   LYS  41          1HZ       LYS  41  14.157 -14.278  -7.875
  110   2HZ   LYS  41          2HZ       LYS  41  12.577 -14.242  -7.465
  111   3HZ   LYS  41          3HZ       LYS  41  13.033 -14.868  -8.903
  112    H    ARG  42           HN       ARG  42   8.323 -12.514  -5.564
  113    HA   ARG  42           HA       ARG  42   8.419 -15.050  -6.580
  114   1HB   ARG  42          2HB       ARG  42   7.130 -15.634  -4.396
  115   2HB   ARG  42          3HB       ARG  42   8.666 -14.808  -4.219
  116   1HG   ARG  42          2HG       ARG  42   7.691 -12.842  -3.483
  117   2HG   ARG  42          3HG       ARG  42   6.287 -13.022  -4.517
  118   1HD   ARG  42          2HD       ARG  42   5.085 -14.117  -2.901
  119   2HD   ARG  42          3HD       ARG  42   6.442 -15.124  -2.439
  120    HE   ARG  42           HE       ARG  42   5.645 -12.615  -1.194
  121   1HH1  ARG  42          2HH2      ARG  42   8.397 -14.713  -1.834
  122   2HH1  ARG  42          1HH2      ARG  42   9.315 -14.133  -0.486
  123   1HH2  ARG  42          2HH1      ARG  42   6.857 -11.849   0.587
  124   2HH2  ARG  42          1HH1      ARG  42   8.434 -12.493   0.901
  125    H    ASP  43           HN       ASP  43   5.769 -12.692  -6.414
  126    HA   ASP  43           HA       ASP  43   3.738 -14.616  -6.846
  127   1HB   ASP  43          2HB       ASP  43   3.619 -11.617  -7.385
  128   2HB   ASP  43          3HB       ASP  43   2.262 -12.681  -7.078
  129    H    CYS  44           HN       CYS  44   6.030 -12.759  -8.767
  130    HA   CYS  44           HA       CYS  44   4.495 -12.874 -11.179
  131   1HB   CYS  44          2HB       CYS  44   6.277 -11.104 -10.472
  132   2HB   CYS  44          3HB       CYS  44   7.447 -12.271 -11.053
  133    H    LYS  45           HN       LYS  45   5.218 -14.132 -13.105
  134    HA   LYS  45           HA       LYS  45   5.909 -16.787 -12.368
  135   1HB   LYS  45          2HB       LYS  45   5.669 -17.248 -14.765
  136   2HB   LYS  45          3HB       LYS  45   4.305 -16.347 -14.135
  137   1HG   LYS  45          2HG       LYS  45   4.713 -14.576 -15.506
  138   2HG   LYS  45          3HG       LYS  45   6.409 -14.529 -15.067
  139   1HD   LYS  45          2HD       LYS  45   7.049 -15.986 -16.797
  140   2HD   LYS  45          3HD       LYS  45   5.476 -16.756 -16.878
  141   1HE   LYS  45          2HE       LYS  45   5.232 -13.909 -17.501
  142   2HE   LYS  45          3HE       LYS  45   6.447 -14.647 -18.526
  143   1HZ   LYS  45          1HZ       LYS  45   4.191 -14.814 -19.404
  144   2HZ   LYS  45          2HZ       LYS  45   4.874 -16.282 -19.194
  145   3HZ   LYS  45          3HZ       LYS  45   3.749 -15.745 -18.137
  146    H    GLU  46           HN       GLU  46   7.979 -16.446 -11.295
  147    HA   GLU  46           HA       GLU  46  10.114 -15.308 -12.704
  148   1HB   GLU  46          2HB       GLU  46  11.505 -16.342 -10.871
  149   2HB   GLU  46          3HB       GLU  46  10.170 -15.368 -10.288
  150   1HG   GLU  46          2HG       GLU  46   8.840 -17.319  -9.767
  151   2HG   GLU  46          3HG       GLU  46   9.907 -18.379 -10.665
  152    H    GLU  47           HN       GLU  47   8.523 -18.390 -12.871
  153    HA   GLU  47           HA       GLU  47   8.914 -20.228 -13.957
  154   1HB   GLU  47          2HB       GLU  47  10.300 -18.166 -15.563
  155   2HB   GLU  47          3HB       GLU  47  10.901 -19.786 -15.855
  156   1HG   GLU  47          2HG       GLU  47   8.011 -19.902 -15.715
  157   2HG   GLU  47          3HG       GLU  47   8.457 -18.601 -16.803
  Start of MODEL   13
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   2.058  -0.510  -0.372
    3   1HB   LYS  27          2HB       LYS  27  -0.315  -0.511  -1.904
    4   2HB   LYS  27          3HB       LYS  27   0.835   0.451  -2.810
    5   1HG   LYS  27          2HG       LYS  27   2.406  -1.326  -2.965
    6   2HG   LYS  27          3HG       LYS  27   1.718  -2.186  -1.602
    7   1HD   LYS  27          2HD       LYS  27   0.154  -1.742  -4.180
    8   2HD   LYS  27          3HD       LYS  27   1.213  -3.123  -3.967
    9   1HE   LYS  27          2HE       LYS  27  -0.089  -3.663  -1.820
   10   2HE   LYS  27          3HE       LYS  27  -1.228  -2.413  -2.276
   11   1HZ   LYS  27          1HZ       LYS  27  -1.876  -3.601  -4.122
   12   2HZ   LYS  27          2HZ       LYS  27  -0.538  -4.536  -4.160
   13   3HZ   LYS  27          3HZ       LYS  27  -1.674  -4.781  -3.012
   14    H    GLY  28           HN       GLY  28   0.390   2.398  -1.775
   15   1HA   GLY  28          1HA       GLY  28   2.237   4.253  -0.711
   16   2HA   GLY  28          2HA       GLY  28   2.733   3.797  -2.329
   17    HA   PRO  29           HA       PRO  29  -0.438   6.223  -4.047
   18   1HB   PRO  29          2HB       PRO  29  -1.555   4.741  -6.053
   19   2HB   PRO  29          3HB       PRO  29  -0.011   5.557  -6.209
   20   1HG   PRO  29          2HG       PRO  29  -0.557   2.675  -5.830
   21   2HG   PRO  29          3HG       PRO  29   0.907   3.449  -6.404
   22   1HD   PRO  29          2HD       PRO  29   0.456   2.356  -3.791
   23   2HD   PRO  29          3HD       PRO  29   1.874   3.233  -4.330
   24    H    VAL  30           HN       VAL  30  -2.329   7.064  -3.408
   25    HA   VAL  30           HA       VAL  30  -4.136   5.099  -2.221
   26    HB   VAL  30           HB       VAL  30  -3.326   6.945  -0.834
   27   1HG1  VAL  30          1HG1      VAL  30  -4.924   9.063  -2.055
   28   2HG1  VAL  30          2HG1      VAL  30  -3.234   9.083  -1.493
   29   3HG1  VAL  30          3HG1      VAL  30  -3.622   8.496  -3.128
   30   1HG2  VAL  30          1HG2      VAL  30  -5.787   5.938  -0.844
   31   2HG2  VAL  30          2HG2      VAL  30  -5.328   7.274   0.240
   32   3HG2  VAL  30          3HG2      VAL  30  -6.211   7.614  -1.268
   33    H    CYS  31           HN       CYS  31  -6.210   4.752  -2.980
   34    HA   CYS  31           HA       CYS  31  -6.739   5.923  -5.580
   35   1HB   CYS  31          2HB       CYS  31  -6.879   3.464  -5.307
   36   2HB   CYS  31          3HB       CYS  31  -8.160   3.666  -4.129
   37    H    PHE  32           HN       PHE  32  -7.903   7.815  -5.591
   38    HA   PHE  32           HA       PHE  32  -9.498   8.491  -3.293
   39   1HB   PHE  32          2HB       PHE  32  -9.153   9.879  -6.014
   40   2HB   PHE  32          3HB       PHE  32  -9.673  10.646  -4.526
   41    HD1  PHE  32           HD1      PHE  32  -6.799   9.264  -6.341
   42    HD2  PHE  32           HD2      PHE  32  -8.075  11.288  -2.837
   43    HE1  PHE  32           HE1      PHE  32  -4.418   9.867  -5.822
   44    HE2  PHE  32           HE2      PHE  32  -5.695  11.891  -2.317
   45    HZ   PHE  32           HZ       PHE  32  -3.895  11.174  -3.817
   46    H    SER  33           HN       SER  33 -10.142   6.287  -5.505
   47    HA   SER  33           HA       SER  33 -12.776   7.341  -6.159
   48   1HB   SER  33          2HB       SER  33 -11.309   6.558  -8.053
   49   2HB   SER  33          3HB       SER  33 -11.312   4.948  -7.359
   50    HG   SER  33           HG       SER  33 -13.854   5.438  -7.469
   51    H    CYS  34           HN       CYS  34 -10.977   4.493  -4.846
   52    HA   CYS  34           HA       CYS  34 -13.524   3.489  -3.815
   53   1HB   CYS  34          2HB       CYS  34 -12.307   1.331  -3.512
   54   2HB   CYS  34          3HB       CYS  34 -12.436   1.844  -5.182
   55    H    GLY  35           HN       GLY  35 -10.194   4.571  -3.069
   56   1HA   GLY  35          1HA       GLY  35  -9.635   5.656  -1.084
   57   2HA   GLY  35          2HA       GLY  35 -10.969   4.873  -0.259
   58    H    LYS  36           HN       LYS  36  -8.841   3.019  -2.426
   59    HA   LYS  36           HA       LYS  36  -7.843   1.614  -0.058
   60   1HB   LYS  36          2HB       LYS  36  -9.095   0.675  -2.371
   61   2HB   LYS  36          3HB       LYS  36  -7.402   0.303  -2.627
   62   1HG   LYS  36          2HG       LYS  36  -8.113  -1.583  -1.428
   63   2HG   LYS  36          3HG       LYS  36  -7.463  -0.584  -0.143
   64   1HD   LYS  36          2HD       LYS  36  -9.536  -1.165   0.768
   65   2HD   LYS  36          3HD       LYS  36  -9.931   0.368   0.015
   66   1HE   LYS  36          2HE       LYS  36 -11.666  -1.154  -0.659
   67   2HE   LYS  36          3HE       LYS  36 -10.646  -0.946  -2.068
   68   1HZ   LYS  36          1HZ       LYS  36 -10.613  -3.205  -0.196
   69   2HZ   LYS  36          2HZ       LYS  36 -11.029  -3.231  -1.774
   70   3HZ   LYS  36          3HZ       LYS  36  -9.473  -2.984  -1.345
   71    H    THR  37           HN       THR  37  -5.579   0.411  -0.924
   72    HA   THR  37           HA       THR  37  -3.910   2.630  -1.910
   73    HB   THR  37           HB       THR  37  -2.327   2.185  -0.164
   74    HG1  THR  37           HG1      THR  37  -2.378  -0.138  -0.333
   75   1HG2  THR  37          1HG2      THR  37  -4.552   3.155   0.729
   76   2HG2  THR  37          2HG2      THR  37  -4.969   1.492   1.209
   77   3HG2  THR  37          3HG2      THR  37  -3.552   2.297   1.925
   78    H    GLY  38           HN       GLY  38  -2.108   2.082  -3.192
   79   1HA   GLY  38          1HA       GLY  38  -0.700   0.339  -4.086
   80   2HA   GLY  38          2HA       GLY  38  -2.090  -0.730  -4.109
   81    H    HIS  39           HN       HIS  39  -3.060   2.457  -4.912
   82    HA   HIS  39           HA       HIS  39  -2.260   2.639  -7.561
   83   1HB   HIS  39          2HB       HIS  39  -4.173   1.884  -8.793
   84   2HB   HIS  39          3HB       HIS  39  -3.556   0.554  -7.833
   85    HD1  HIS  39           HD1      HIS  39  -4.946   0.065  -5.517
   86    HD2  HIS  39           HD2      HIS  39  -6.845   2.428  -8.417
   87    HE1  HIS  39           HE1      HIS  39  -7.430   0.055  -4.934
   88    H    ILE  40           HN       ILE  40  -3.334   4.466  -8.662
   89    HA   ILE  40           HA       ILE  40  -4.541   6.234  -6.670
   90    HB   ILE  40           HB       ILE  40  -3.137   6.788  -9.284
   91   1HG1  ILE  40          2HG1      ILE  40  -1.841   8.105  -7.202
   92   2HG1  ILE  40          3HG1      ILE  40  -2.257   6.553  -6.505
   93   1HG2  ILE  40          1HG2      ILE  40  -4.773   8.467  -9.144
   94   2HG2  ILE  40          2HG2      ILE  40  -4.585   8.629  -7.381
   95   3HG2  ILE  40          3HG2      ILE  40  -3.298   9.201  -8.470
   96   1HD1  ILE  40          1HD1      ILE  40  -1.025   5.339  -8.118
   97   2HD1  ILE  40          2HD1      ILE  40  -1.039   6.688  -9.279
   98   3HD1  ILE  40          3HD1      ILE  40  -0.008   6.771  -7.830
   99    H    LYS  41           HN       LYS  41  -6.304   7.718  -7.468
  100    HA   LYS  41           HA       LYS  41  -8.457   6.286  -8.349
  101   1HB   LYS  41          2HB       LYS  41  -8.814   8.335  -7.229
  102   2HB   LYS  41          3HB       LYS  41  -7.831   9.239  -8.362
  103   1HG   LYS  41          2HG       LYS  41  -9.903   7.906  -9.867
  104   2HG   LYS  41          3HG       LYS  41 -10.661   8.688  -8.493
  105   1HD   LYS  41          2HD       LYS  41  -8.604  10.282 -10.004
  106   2HD   LYS  41          3HD       LYS  41 -10.134   9.995 -10.810
  107   1HE   LYS  41          2HE       LYS  41 -10.086  11.001  -7.944
  108   2HE   LYS  41          3HE       LYS  41  -9.871  12.122  -9.274
  109   1HZ   LYS  41          1HZ       LYS  41 -11.989  11.874  -9.904
  110   2HZ   LYS  41          2HZ       LYS  41 -12.069  10.285  -9.536
  111   3HZ   LYS  41          3HZ       LYS  41 -12.225  11.405  -8.359
  112    H    ARG  42           HN       ARG  42  -6.319   8.472 -10.310
  113    HA   ARG  42           HA       ARG  42  -7.607   8.037 -12.682
  114   1HB   ARG  42          2HB       ARG  42  -5.371   8.708 -13.722
  115   2HB   ARG  42          3HB       ARG  42  -5.968   9.811 -12.499
  116   1HG   ARG  42          2HG       ARG  42  -4.132   9.478 -11.211
  117   2HG   ARG  42          3HG       ARG  42  -4.393   7.745 -11.203
  118   1HD   ARG  42          2HD       ARG  42  -2.191   8.256 -12.195
  119   2HD   ARG  42          3HD       ARG  42  -3.239   7.546 -13.408
  120    HE   ARG  42           HE       ARG  42  -3.174   9.557 -14.599
  121   1HH1  ARG  42          2HH2      ARG  42  -2.189  10.168 -11.276
  122   2HH1  ARG  42          1HH2      ARG  42  -1.744  11.815 -11.577
  123   1HH2  ARG  42          2HH1      ARG  42  -2.586  11.729 -14.996
  124   2HH2  ARG  42          1HH1      ARG  42  -1.972  12.709 -13.706
  125    H    ASP  43           HN       ASP  43  -5.286   6.045 -10.878
  126    HA   ASP  43           HA       ASP  43  -4.662   4.404 -13.109
  127   1HB   ASP  43          2HB       ASP  43  -4.307   3.713 -10.164
  128   2HB   ASP  43          3HB       ASP  43  -3.388   3.086 -11.518
  129    H    CYS  44           HN       CYS  44  -7.168   4.665 -10.666
  130    HA   CYS  44           HA       CYS  44  -7.895   1.915 -10.657
  131   1HB   CYS  44          2HB       CYS  44  -8.322   3.710  -8.831
  132   2HB   CYS  44          3HB       CYS  44  -9.698   4.182  -9.806
  133    H    LYS  45           HN       LYS  45  -9.632   0.933 -11.825
  134    HA   LYS  45           HA       LYS  45 -10.318   2.336 -14.260
  135   1HB   LYS  45          2HB       LYS  45  -9.548  -0.172 -13.919
  136   2HB   LYS  45          3HB       LYS  45 -11.251  -0.438 -13.603
  137   1HG   LYS  45          2HG       LYS  45 -11.539  -0.534 -15.855
  138   2HG   LYS  45          3HG       LYS  45 -11.291   1.201 -15.874
  139   1HD   LYS  45          2HD       LYS  45  -8.736   0.642 -15.955
  140   2HD   LYS  45          3HD       LYS  45  -9.236  -0.986 -16.365
  141   1HE   LYS  45          2HE       LYS  45 -10.118  -0.352 -18.444
  142   2HE   LYS  45          3HE       LYS  45 -10.474   1.283 -17.918
  143   1HZ   LYS  45          1HZ       LYS  45  -7.755   0.981 -17.723
  144   2HZ   LYS  45          2HZ       LYS  45  -8.161   0.318 -19.158
  145   3HZ   LYS  45          3HZ       LYS  45  -8.572   1.863 -18.828
  146    H    GLU  46           HN       GLU  46 -11.529   3.986 -12.853
  147    HA   GLU  46           HA       GLU  46 -13.982   3.021 -11.768
  148   1HB   GLU  46          2HB       GLU  46 -14.390   5.420 -11.238
  149   2HB   GLU  46          3HB       GLU  46 -12.823   4.877 -10.670
  150   1HG   GLU  46          2HG       GLU  46 -11.688   5.922 -12.565
  151   2HG   GLU  46          3HG       GLU  46 -13.212   6.274 -13.356
  152    H    GLU  47           HN       GLU  47 -12.808   4.555 -14.759
  153    HA   GLU  47           HA       GLU  47 -15.570   4.545 -15.705
  154   1HB   GLU  47          2HB       GLU  47 -14.929   6.325 -17.278
  155   2HB   GLU  47          3HB       GLU  47 -14.579   6.814 -15.633
  156   1HG   GLU  47          2HG       GLU  47 -12.239   5.462 -16.552
  157   2HG   GLU  47          3HG       GLU  47 -12.744   6.492 -17.877
  Start of MODEL   14
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   1.817  -0.744  -0.593
    3   1HB   LYS  27          2HB       LYS  27   0.003   1.056  -2.204
    4   2HB   LYS  27          3HB       LYS  27   1.495   0.421  -2.867
    5   1HG   LYS  27          2HG       LYS  27  -0.463  -1.464  -1.525
    6   2HG   LYS  27          3HG       LYS  27  -0.767  -0.929  -3.166
    7   1HD   LYS  27          2HD       LYS  27   1.312  -1.869  -3.967
    8   2HD   LYS  27          3HD       LYS  27   1.917  -2.110  -2.340
    9   1HE   LYS  27          2HE       LYS  27   0.862  -4.119  -2.137
   10   2HE   LYS  27          3HE       LYS  27  -0.661  -3.466  -2.710
   11   1HZ   LYS  27          1HZ       LYS  27   0.058  -3.743  -4.934
   12   2HZ   LYS  27          2HZ       LYS  27   1.574  -4.154  -4.487
   13   3HZ   LYS  27          3HZ       LYS  27   0.327  -5.158  -4.164
   14    H    GLY  28           HN       GLY  28   3.480   0.658  -2.112
   15   1HA   GLY  28          1HA       GLY  28   4.348   2.872  -0.355
   16   2HA   GLY  28          2HA       GLY  28   5.417   1.791  -1.227
   17    HA   PRO  29           HA       PRO  29   4.242   5.497  -3.804
   18   1HB   PRO  29          2HB       PRO  29   6.227   7.287  -3.235
   19   2HB   PRO  29          3HB       PRO  29   4.634   7.360  -2.508
   20   1HG   PRO  29          2HG       PRO  29   7.179   6.455  -1.307
   21   2HG   PRO  29          3HG       PRO  29   5.696   6.933  -0.506
   22   1HD   PRO  29          2HD       PRO  29   6.650   4.257  -0.893
   23   2HD   PRO  29          3HD       PRO  29   5.115   4.731  -0.195
   24    H    VAL  30           HN       VAL  30   4.734   5.358  -5.906
   25    HA   VAL  30           HA       VAL  30   7.302   4.076  -6.426
   26    HB   VAL  30           HB       VAL  30   5.266   3.050  -7.304
   27   1HG1  VAL  30          1HG1      VAL  30   4.735   4.980  -9.425
   28   2HG1  VAL  30          2HG1      VAL  30   3.610   4.175  -8.305
   29   3HG1  VAL  30          3HG1      VAL  30   4.445   5.667  -7.810
   30   1HG2  VAL  30          1HG2      VAL  30   6.011   3.320  -9.865
   31   2HG2  VAL  30          2HG2      VAL  30   7.425   4.073  -9.088
   32   3HG2  VAL  30          3HG2      VAL  30   6.968   2.402  -8.678
   33    H    CYS  31           HN       CYS  31   8.963   5.073  -7.530
   34    HA   CYS  31           HA       CYS  31   8.622   7.923  -7.906
   35   1HB   CYS  31          2HB       CYS  31  10.582   7.077  -6.651
   36   2HB   CYS  31          3HB       CYS  31  11.125   6.210  -8.073
   37    H    PHE  32           HN       PHE  32   7.948   8.632  -9.899
   38    HA   PHE  32           HA       PHE  32   8.192   6.863 -12.161
   39   1HB   PHE  32          2HB       PHE  32   6.550   9.051 -11.203
   40   2HB   PHE  32          3HB       PHE  32   7.272   9.595 -12.704
   41    HD1  PHE  32           HD1      PHE  32   4.424   8.229 -11.461
   42    HD2  PHE  32           HD2      PHE  32   7.258   7.496 -14.534
   43    HE1  PHE  32           HE1      PHE  32   2.692   6.955 -12.756
   44    HE2  PHE  32           HE2      PHE  32   5.525   6.223 -15.829
   45    HZ   PHE  32           HZ       PHE  32   3.262   5.968 -14.924
   46    H    SER  33           HN       SER  33  10.538   8.450 -10.737
   47    HA   SER  33           HA       SER  33  11.462   9.768 -13.166
   48   1HB   SER  33          2HB       SER  33  12.181  11.444 -11.836
   49   2HB   SER  33          3HB       SER  33  11.421  10.643 -10.476
   50    HG   SER  33           HG       SER  33  13.418   9.438 -10.146
   51    H    CYS  34           HN       CYS  34  12.366   7.543 -10.463
   52    HA   CYS  34           HA       CYS  34  14.654   6.687 -12.070
   53   1HB   CYS  34          2HB       CYS  34  15.496   5.681  -9.942
   54   2HB   CYS  34          3HB       CYS  34  15.361   7.427  -9.903
   55    H    GLY  35           HN       GLY  35  11.607   5.766 -10.451
   56   1HA   GLY  35          1HA       GLY  35  10.238   4.041 -11.181
   57   2HA   GLY  35          2HA       GLY  35  11.600   3.261 -11.959
   58    H    LYS  36           HN       LYS  36  11.926   4.541  -8.662
   59    HA   LYS  36           HA       LYS  36  12.148   1.776  -7.728
   60   1HB   LYS  36          2HB       LYS  36  14.051   3.561  -7.567
   61   2HB   LYS  36          3HB       LYS  36  13.127   4.190  -6.218
   62   1HG   LYS  36          2HG       LYS  36  13.305   1.283  -6.020
   63   2HG   LYS  36          3HG       LYS  36  14.909   1.962  -6.212
   64   1HD   LYS  36          2HD       LYS  36  12.998   3.242  -4.242
   65   2HD   LYS  36          3HD       LYS  36  13.813   1.756  -3.795
   66   1HE   LYS  36          2HE       LYS  36  15.797   3.475  -4.964
   67   2HE   LYS  36          3HE       LYS  36  14.874   4.453  -3.841
   68   1HZ   LYS  36          1HZ       LYS  36  16.341   1.987  -3.281
   69   2HZ   LYS  36          2HZ       LYS  36  16.515   3.451  -2.581
   70   3HZ   LYS  36          3HZ       LYS  36  15.199   2.541  -2.254
   71    H    THR  37           HN       THR  37  11.704   1.945  -5.064
   72    HA   THR  37           HA       THR  37   9.016   3.132  -4.853
   73    HB   THR  37           HB       THR  37   8.223   1.095  -3.868
   74    HG1  THR  37           HG1      THR  37   9.730   0.108  -2.586
   75   1HG2  THR  37          1HG2      THR  37  10.111  -0.454  -5.516
   76   2HG2  THR  37          2HG2      THR  37   8.349  -0.279  -5.697
   77   3HG2  THR  37          3HG2      THR  37   9.441   0.932  -6.410
   78    H    GLY  38           HN       GLY  38   8.448   4.082  -2.905
   79   1HA   GLY  38          1HA       GLY  38   8.957   4.253  -0.521
   80   2HA   GLY  38          2HA       GLY  38  10.658   4.278  -0.944
   81    H    HIS  39           HN       HIS  39   8.840   5.905  -3.349
   82    HA   HIS  39           HA       HIS  39   8.371   8.357  -2.140
   83   1HB   HIS  39          2HB       HIS  39  10.240   9.699  -2.854
   84   2HB   HIS  39          3HB       HIS  39  10.807   8.409  -1.812
   85    HD1  HIS  39           HD1      HIS  39  11.637   6.149  -3.342
   86    HD2  HIS  39           HD2      HIS  39  11.778   9.962  -5.085
   87    HE1  HIS  39           HE1      HIS  39  13.264   5.980  -5.300
   88    H    ILE  40           HN       ILE  40   7.680   9.985  -3.738
   89    HA   ILE  40           HA       ILE  40   6.921   8.656  -6.228
   90    HB   ILE  40           HB       ILE  40   5.821  11.078  -4.800
   91   1HG1  ILE  40          2HG1      ILE  40   3.826   9.160  -5.133
   92   2HG1  ILE  40          3HG1      ILE  40   5.240   8.217  -4.701
   93   1HG2  ILE  40          1HG2      ILE  40   4.933   9.813  -7.406
   94   2HG2  ILE  40          2HG2      ILE  40   4.057  11.081  -6.515
   95   3HG2  ILE  40          3HG2      ILE  40   5.665  11.422  -7.200
   96   1HD1  ILE  40          1HD1      ILE  40   4.578  10.736  -3.149
   97   2HD1  ILE  40          2HD1      ILE  40   3.743   9.207  -2.786
   98   3HD1  ILE  40          3HD1      ILE  40   5.513   9.314  -2.626
   99    H    LYS  41           HN       LYS  41   6.933  10.029  -8.243
  100    HA   LYS  41           HA       LYS  41   9.460  10.892  -8.818
  101   1HB   LYS  41          2HB       LYS  41   8.174  10.405 -10.667
  102   2HB   LYS  41          3HB       LYS  41   6.767  11.259 -10.068
  103   1HG   LYS  41          2HG       LYS  41   9.135  13.004 -10.504
  104   2HG   LYS  41          3HG       LYS  41   8.541  12.240 -11.965
  105   1HD   LYS  41          2HD       LYS  41   6.263  13.115 -11.540
  106   2HD   LYS  41          3HD       LYS  41   6.781  13.795 -10.011
  107   1HE   LYS  41          2HE       LYS  41   8.511  14.668 -12.231
  108   2HE   LYS  41          3HE       LYS  41   6.833  15.086 -12.516
  109   1HZ   LYS  41          1HZ       LYS  41   7.272  15.681  -9.900
  110   2HZ   LYS  41          2HZ       LYS  41   8.634  16.182 -10.648
  111   3HZ   LYS  41          3HZ       LYS  41   7.180  16.748 -11.133
  112    H    ARG  42           HN       ARG  42   6.578  12.941  -7.982
  113    HA   ARG  42           HA       ARG  42   7.915  15.323  -8.089
  114   1HB   ARG  42          2HB       ARG  42   6.026  16.245  -6.892
  115   2HB   ARG  42          3HB       ARG  42   5.396  14.925  -7.857
  116   1HG   ARG  42          2HG       ARG  42   5.724  13.425  -5.774
  117   2HG   ARG  42          3HG       ARG  42   6.014  14.900  -4.872
  118   1HD   ARG  42          2HD       ARG  42   3.553  14.856  -6.596
  119   2HD   ARG  42          3HD       ARG  42   3.532  13.820  -5.182
  120    HE   ARG  42           HE       ARG  42   3.560  15.725  -3.780
  121   1HH1  ARG  42          2HH2      ARG  42   4.102  16.657  -7.130
  122   2HH1  ARG  42          1HH2      ARG  42   3.889  18.348  -6.828
  123   1HH2  ARG  42          2HH1      ARG  42   3.278  17.958  -3.381
  124   2HH2  ARG  42          1HH1      ARG  42   3.418  19.094  -4.681
  125    H    ASP  43           HN       ASP  43   7.856  12.784  -5.610
  126    HA   ASP  43           HA       ASP  43   8.874  14.458  -3.564
  127   1HB   ASP  43          2HB       ASP  43   8.996  11.414  -3.726
  128   2HB   ASP  43          3HB       ASP  43   9.062  12.391  -2.273
  129    H    CYS  44           HN       CYS  44  10.116  12.565  -6.261
  130    HA   CYS  44           HA       CYS  44  12.736  12.238  -5.160
  131   1HB   CYS  44          2HB       CYS  44  11.501  10.736  -6.904
  132   2HB   CYS  44          3HB       CYS  44  12.058  11.911  -8.079
  133    H    LYS  45           HN       LYS  45  14.550  13.553  -5.588
  134    HA   LYS  45           HA       LYS  45  15.527  15.532  -5.897
  135   1HB   LYS  45          2HB       LYS  45  15.997  14.457  -8.000
  136   2HB   LYS  45          3HB       LYS  45  14.448  14.935  -8.663
  137   1HG   LYS  45          2HG       LYS  45  15.298  17.398  -8.053
  138   2HG   LYS  45          3HG       LYS  45  16.878  16.644  -8.098
  139   1HD   LYS  45          2HD       LYS  45  16.874  16.687 -10.363
  140   2HD   LYS  45          3HD       LYS  45  15.405  15.732 -10.407
  141   1HE   LYS  45          2HE       LYS  45  14.343  18.158  -9.719
  142   2HE   LYS  45          3HE       LYS  45  15.748  18.704 -10.613
  143   1HZ   LYS  45          1HZ       LYS  45  13.389  17.514 -11.587
  144   2HZ   LYS  45          2HZ       LYS  45  14.566  18.291 -12.410
  145   3HZ   LYS  45          3HZ       LYS  45  14.698  16.691 -12.110
  146    H    GLU  46           HN       GLU  46  14.348  16.863  -4.463
  147    HA   GLU  46           HA       GLU  46  11.897  17.986  -5.214
  148   1HB   GLU  46          2HB       GLU  46  12.159  19.366  -3.199
  149   2HB   GLU  46          3HB       GLU  46  12.622  17.711  -2.857
  150   1HG   GLU  46          2HG       GLU  46  15.035  18.796  -3.697
  151   2HG   GLU  46          3HG       GLU  46  14.293  20.171  -2.903
  152    H    GLU  47           HN       GLU  47  15.282  18.836  -5.783
  153    HA   GLU  47           HA       GLU  47  14.467  21.461  -6.706
  154   1HB   GLU  47          2HB       GLU  47  16.730  20.551  -5.321
  155   2HB   GLU  47          3HB       GLU  47  17.325  20.795  -6.952
  156   1HG   GLU  47          2HG       GLU  47  17.585  22.958  -6.165
  157   2HG   GLU  47          3HG       GLU  47  15.936  23.089  -6.745
  Start of MODEL   15
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   1.789   1.210  -0.839
    3   1HB   LYS  27          2HB       LYS  27   2.017  -1.473   0.417
    4   2HB   LYS  27          3HB       LYS  27   2.838  -1.271  -1.117
    5   1HG   LYS  27          2HG       LYS  27   3.538   1.080   0.144
    6   2HG   LYS  27          3HG       LYS  27   3.409   0.003   1.520
    7   1HD   LYS  27          2HD       LYS  27   5.647  -0.313   0.875
    8   2HD   LYS  27          3HD       LYS  27   4.855  -1.656   0.077
    9   1HE   LYS  27          2HE       LYS  27   5.190   1.000  -1.361
   10   2HE   LYS  27          3HE       LYS  27   6.511  -0.150  -1.307
   11   1HZ   LYS  27          1HZ       LYS  27   4.720  -1.784  -2.092
   12   2HZ   LYS  27          2HZ       LYS  27   3.899  -0.451  -2.554
   13   3HZ   LYS  27          3HZ       LYS  27   5.378  -0.756  -3.175
   14    H    GLY  28           HN       GLY  28   1.861   1.189  -3.072
   15   1HA   GLY  28          1HA       GLY  28  -0.444   0.096  -4.403
   16   2HA   GLY  28          2HA       GLY  28   0.846   1.055  -5.100
   17    HA   PRO  29           HA       PRO  29   1.396  -3.476  -6.030
   18   1HB   PRO  29          2HB       PRO  29   0.163  -3.736  -8.455
   19   2HB   PRO  29          3HB       PRO  29  -0.591  -4.197  -6.943
   20   1HG   PRO  29          2HG       PRO  29  -1.115  -1.825  -8.627
   21   2HG   PRO  29          3HG       PRO  29  -2.118  -2.523  -7.370
   22   1HD   PRO  29          2HD       PRO  29  -0.495  -0.166  -7.161
   23   2HD   PRO  29          3HD       PRO  29  -1.407  -0.930  -5.873
   24    H    VAL  30           HN       VAL  30   3.324  -4.091  -6.811
   25    HA   VAL  30           HA       VAL  30   4.515  -2.138  -8.625
   26    HB   VAL  30           HB       VAL  30   5.665  -2.670  -6.530
   27   1HG1  VAL  30          1HG1      VAL  30   6.685  -5.286  -7.199
   28   2HG1  VAL  30          2HG1      VAL  30   5.847  -4.742  -5.726
   29   3HG1  VAL  30          3HG1      VAL  30   4.908  -5.327  -7.121
   30   1HG2  VAL  30          1HG2      VAL  30   7.878  -3.460  -7.633
   31   2HG2  VAL  30          2HG2      VAL  30   6.953  -3.412  -9.153
   32   3HG2  VAL  30          3HG2      VAL  30   7.144  -1.934  -8.181
   33    H    CYS  31           HN       CYS  31   5.104  -2.632 -10.718
   34    HA   CYS  31           HA       CYS  31   4.083  -5.158 -11.695
   35   1HB   CYS  31          2HB       CYS  31   3.469  -3.057 -12.854
   36   2HB   CYS  31          3HB       CYS  31   5.158  -2.759 -13.217
   37    H    PHE  32           HN       PHE  32   5.473  -6.888 -11.761
   38    HA   PHE  32           HA       PHE  32   8.309  -6.396 -11.621
   39   1HB   PHE  32          2HB       PHE  32   6.457  -8.332 -10.734
   40   2HB   PHE  32          3HB       PHE  32   7.230  -9.149 -12.078
   41    HD1  PHE  32           HD1      PHE  32   7.370  -8.715  -8.661
   42    HD2  PHE  32           HD2      PHE  32   9.928  -8.818 -12.045
   43    HE1  PHE  32           HE1      PHE  32   9.304  -9.322  -7.180
   44    HE2  PHE  32           HE2      PHE  32  11.862  -9.425 -10.565
   45    HZ   PHE  32           HZ       PHE  32  11.527  -9.670  -8.150
   46    H    SER  33           HN       SER  33   6.436  -5.915 -14.125
   47    HA   SER  33           HA       SER  33   8.004  -7.576 -15.937
   48   1HB   SER  33          2HB       SER  33   5.519  -7.855 -16.052
   49   2HB   SER  33          3HB       SER  33   5.351  -6.152 -16.433
   50    HG   SER  33           HG       SER  33   5.342  -7.604 -18.324
   51    H    CYS  34           HN       CYS  34   6.708  -4.263 -15.299
   52    HA   CYS  34           HA       CYS  34   8.633  -3.247 -17.255
   53   1HB   CYS  34          2HB       CYS  34   7.263  -1.158 -17.199
   54   2HB   CYS  34          3HB       CYS  34   6.406  -2.557 -17.815
   55    H    GLY  35           HN       GLY  35   7.502  -3.253 -13.872
   56   1HA   GLY  35          1HA       GLY  35   8.874  -2.850 -12.050
   57   2HA   GLY  35          2HA       GLY  35   9.998  -1.965 -13.063
   58    H    LYS  36           HN       LYS  36   6.505  -1.361 -13.319
   59    HA   LYS  36           HA       LYS  36   6.991   1.289 -12.176
   60   1HB   LYS  36          2HB       LYS  36   5.991   0.664 -14.605
   61   2HB   LYS  36          3HB       LYS  36   4.499   0.698 -13.688
   62   1HG   LYS  36          2HG       LYS  36   5.756   2.972 -12.736
   63   2HG   LYS  36          3HG       LYS  36   6.344   2.931 -14.386
   64   1HD   LYS  36          2HD       LYS  36   3.681   2.373 -14.799
   65   2HD   LYS  36          3HD       LYS  36   3.571   3.380 -13.369
   66   1HE   LYS  36          2HE       LYS  36   4.315   5.278 -14.470
   67   2HE   LYS  36          3HE       LYS  36   5.414   4.384 -15.502
   68   1HZ   LYS  36          1HZ       LYS  36   3.783   3.964 -16.987
   69   2HZ   LYS  36          2HZ       LYS  36   2.574   3.960 -15.888
   70   3HZ   LYS  36          3HZ       LYS  36   3.203   5.375 -16.407
   71    H    THR  37           HN       THR  37   4.544   2.125 -11.385
   72    HA   THR  37           HA       THR  37   3.664   0.069  -9.467
   73    HB   THR  37           HB       THR  37   3.711   1.714  -7.724
   74    HG1  THR  37           HG1      THR  37   3.881   3.983  -8.365
   75   1HG2  THR  37          1HG2      THR  37   6.032   2.564  -9.530
   76   2HG2  THR  37          2HG2      THR  37   5.943   2.720  -7.760
   77   3HG2  THR  37          3HG2      THR  37   6.069   1.109  -8.506
   78    H    GLY  38           HN       GLY  38   1.463  -0.018  -8.967
   79   1HA   GLY  38          1HA       GLY  38  -0.689   1.099  -9.093
   80   2HA   GLY  38          2HA       GLY  38  -0.243   1.684 -10.683
   81    H    HIS  39           HN       HIS  39   1.030  -1.458 -10.229
   82    HA   HIS  39           HA       HIS  39  -1.208  -3.044 -10.639
   83   1HB   HIS  39          2HB       HIS  39  -1.158  -3.506 -12.993
   84   2HB   HIS  39          3HB       HIS  39  -1.402  -1.787 -12.755
   85    HD1  HIS  39           HD1      HIS  39   0.778  -0.223 -13.165
   86    HD2  HIS  39           HD2      HIS  39   1.033  -4.177 -14.541
   87    HE1  HIS  39           HE1      HIS  39   2.728  -0.283 -14.808
   88    H    ILE  40           HN       ILE  40  -0.592  -5.316 -11.047
   89    HA   ILE  40           HA       ILE  40   2.193  -5.725 -10.260
   90    HB   ILE  40           HB       ILE  40  -0.249  -7.491 -10.083
   91   1HG1  ILE  40          2HG1      ILE  40   0.821  -7.117  -7.550
   92   2HG1  ILE  40          3HG1      ILE  40   1.001  -5.540  -8.292
   93   1HG2  ILE  40          1HG2      ILE  40   2.654  -8.052  -9.479
   94   2HG2  ILE  40          2HG2      ILE  40   1.329  -8.941  -8.689
   95   3HG2  ILE  40          3HG2      ILE  40   1.509  -8.998 -10.460
   96   1HD1  ILE  40          1HD1      ILE  40  -1.325  -5.303  -8.677
   97   2HD1  ILE  40          2HD1      ILE  40  -1.617  -7.054  -8.545
   98   3HD1  ILE  40          3HD1      ILE  40  -1.252  -6.100  -7.087
   99    H    LYS  41           HN       LYS  41   3.343  -7.628 -11.248
  100    HA   LYS  41           HA       LYS  41   3.557  -7.351 -13.955
  101   1HB   LYS  41          2HB       LYS  41   5.368  -8.384 -13.004
  102   2HB   LYS  41          3HB       LYS  41   4.398  -9.400 -11.957
  103   1HG   LYS  41          2HG       LYS  41   3.660 -10.718 -13.988
  104   2HG   LYS  41          3HG       LYS  41   4.731  -9.743 -14.976
  105   1HD   LYS  41          2HD       LYS  41   6.601 -10.860 -14.274
  106   2HD   LYS  41          3HD       LYS  41   6.087 -10.863 -12.598
  107   1HE   LYS  41          2HE       LYS  41   6.015 -13.155 -13.138
  108   2HE   LYS  41          3HE       LYS  41   4.344 -12.678 -13.357
  109   1HZ   LYS  41          1HZ       LYS  41   4.506 -13.264 -15.456
  110   2HZ   LYS  41          2HZ       LYS  41   5.725 -12.210 -15.727
  111   3HZ   LYS  41          3HZ       LYS  41   6.056 -13.734 -15.244
  112    H    ARG  42           HN       ARG  42   1.723  -9.914 -12.149
  113    HA   ARG  42           HA       ARG  42   0.773 -11.172 -14.385
  114   1HB   ARG  42          2HB       ARG  42  -0.278 -10.891 -11.544
  115   2HB   ARG  42          3HB       ARG  42  -1.190 -11.805 -12.729
  116   1HG   ARG  42          2HG       ARG  42   1.134 -13.006 -13.191
  117   2HG   ARG  42          3HG       ARG  42   1.568 -12.379 -11.613
  118   1HD   ARG  42          2HD       ARG  42  -1.029 -13.476 -11.267
  119   2HD   ARG  42          3HD       ARG  42  -0.189 -14.627 -12.286
  120    HE   ARG  42           HE       ARG  42   0.481 -13.933  -9.501
  121   1HH1  ARG  42          2HH2      ARG  42   1.558 -15.475 -12.475
  122   2HH1  ARG  42          1HH2      ARG  42   2.752 -16.452 -11.686
  123   1HH2  ARG  42          2HH1      ARG  42   2.054 -15.221  -8.460
  124   2HH2  ARG  42          1HH1      ARG  42   3.036 -16.306  -9.387
  125    H    ASP  43           HN       ASP  43  -0.254  -8.188 -12.754
  126    HA   ASP  43           HA       ASP  43  -2.788  -8.113 -14.014
  127   1HB   ASP  43          2HB       ASP  43  -1.233  -5.778 -12.821
  128   2HB   ASP  43          3HB       ASP  43  -2.970  -5.888 -13.029
  129    H    CYS  44           HN       CYS  44   0.522  -7.332 -14.834
  130    HA   CYS  44           HA       CYS  44  -0.120  -5.291 -16.729
  131   1HB   CYS  44          2HB       CYS  44   2.094  -5.642 -15.387
  132   2HB   CYS  44          3HB       CYS  44   2.498  -6.783 -16.653
  133    H    LYS  45           HN       LYS  45  -1.513  -6.098 -18.335
  134    HA   LYS  45           HA       LYS  45  -0.336  -7.816 -20.265
  135   1HB   LYS  45          2HB       LYS  45  -1.056  -9.501 -18.598
  136   2HB   LYS  45          3HB       LYS  45  -2.702  -8.913 -18.717
  137   1HG   LYS  45          2HG       LYS  45  -2.658 -10.753 -20.215
  138   2HG   LYS  45          3HG       LYS  45  -2.513  -9.360 -21.269
  139   1HD   LYS  45          2HD       LYS  45  -0.455 -10.005 -21.989
  140   2HD   LYS  45          3HD       LYS  45   0.132 -10.206 -20.350
  141   1HE   LYS  45          2HE       LYS  45  -0.310 -12.474 -20.316
  142   2HE   LYS  45          3HE       LYS  45  -1.777 -12.314 -21.261
  143   1HZ   LYS  45          1HZ       LYS  45  -0.225 -13.360 -22.621
  144   2HZ   LYS  45          2HZ       LYS  45  -0.266 -11.825 -23.176
  145   3HZ   LYS  45          3HZ       LYS  45   0.980 -12.324 -22.247
  146    H    GLU  46           HN       GLU  46  -0.743  -5.567 -21.144
  147    HA   GLU  46           HA       GLU  46  -3.510  -4.985 -21.613
  148   1HB   GLU  46          2HB       GLU  46  -1.989  -3.134 -21.111
  149   2HB   GLU  46          3HB       GLU  46  -0.938  -3.574 -22.442
  150   1HG   GLU  46          2HG       GLU  46  -2.453  -2.814 -24.079
  151   2HG   GLU  46          3HG       GLU  46  -3.848  -3.018 -23.038
  152    H    GLU  47           HN       GLU  47  -0.554  -5.468 -23.690
  153    HA   GLU  47           HA       GLU  47  -2.230  -6.930 -25.527
  154   1HB   GLU  47          2HB       GLU  47  -1.050  -4.249 -26.068
  155   2HB   GLU  47          3HB       GLU  47  -0.781  -5.438 -27.327
  156   1HG   GLU  47          2HG       GLU  47  -3.249  -5.929 -27.365
  157   2HG   GLU  47          3HG       GLU  47  -3.499  -4.695 -26.147
  Start of MODEL   16
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   2.154   0.882  -0.429
    3   1HB   LYS  27          2HB       LYS  27   2.752  -1.239  -1.432
    4   2HB   LYS  27          3HB       LYS  27   2.240  -1.487   0.225
    5   1HG   LYS  27          2HG       LYS  27  -0.147  -1.699  -1.267
    6   2HG   LYS  27          3HG       LYS  27   1.047  -2.504  -2.264
    7   1HD   LYS  27          2HD       LYS  27   1.275  -3.196   0.610
    8   2HD   LYS  27          3HD       LYS  27  -0.274  -3.636  -0.083
    9   1HE   LYS  27          2HE       LYS  27   1.038  -4.731  -2.017
   10   2HE   LYS  27          3HE       LYS  27   2.487  -4.487  -1.063
   11   1HZ   LYS  27          1HZ       LYS  27   0.259  -5.738   0.279
   12   2HZ   LYS  27          2HZ       LYS  27   1.015  -6.631  -0.860
   13   3HZ   LYS  27          3HZ       LYS  27   1.857  -6.043   0.410
   14    H    GLY  28           HN       GLY  28   2.450   1.880  -2.379
   15   1HA   GLY  28          1HA       GLY  28   0.514   2.966  -3.856
   16   2HA   GLY  28          2HA       GLY  28   2.048   2.462  -4.540
   17    HA   PRO  29           HA       PRO  29  -1.356  -0.740  -5.491
   18   1HB   PRO  29          2HB       PRO  29  -3.884   0.268  -5.731
   19   2HB   PRO  29          3HB       PRO  29  -3.310  -0.547  -4.290
   20   1HG   PRO  29          2HG       PRO  29  -3.743   2.343  -4.737
   21   2HG   PRO  29          3HG       PRO  29  -3.588   1.478  -3.220
   22   1HD   PRO  29          2HD       PRO  29  -1.587   3.100  -4.484
   23   2HD   PRO  29          3HD       PRO  29  -1.395   2.141  -3.029
   24    H    VAL  30           HN       VAL  30  -1.233  -1.432  -7.535
   25    HA   VAL  30           HA       VAL  30  -1.196   0.718  -9.504
   26    HB   VAL  30           HB       VAL  30   0.716  -0.797  -9.367
   27   1HG1  VAL  30          1HG1      VAL  30  -0.090  -2.847  -8.583
   28   2HG1  VAL  30          2HG1      VAL  30  -1.390  -2.915  -9.796
   29   3HG1  VAL  30          3HG1      VAL  30   0.300  -3.186 -10.286
   30   1HG2  VAL  30          1HG2      VAL  30  -0.054   0.229 -11.544
   31   2HG2  VAL  30          2HG2      VAL  30   0.947  -1.234 -11.704
   32   3HG2  VAL  30          3HG2      VAL  30  -0.816  -1.333 -11.927
   33    H    CYS  31           HN       CYS  31  -2.714   0.915 -11.128
   34    HA   CYS  31           HA       CYS  31  -5.053  -0.756 -10.797
   35   1HB   CYS  31          2HB       CYS  31  -5.313   1.705 -10.882
   36   2HB   CYS  31          3HB       CYS  31  -4.643   1.724 -12.501
   37    H    PHE  32           HN       PHE  32  -5.190  -2.605 -12.019
   38    HA   PHE  32           HA       PHE  32  -3.502  -2.859 -14.342
   39   1HB   PHE  32          2HB       PHE  32  -4.696  -4.502 -12.319
   40   2HB   PHE  32          3HB       PHE  32  -5.506  -4.968 -13.800
   41    HD1  PHE  32           HD1      PHE  32  -3.753  -5.240 -15.863
   42    HD2  PHE  32           HD2      PHE  32  -2.849  -5.742 -11.748
   43    HE1  PHE  32           HE1      PHE  32  -1.804  -6.701 -16.469
   44    HE2  PHE  32           HE2      PHE  32  -0.900  -7.202 -12.354
   45    HZ   PHE  32           HZ       PHE  32  -0.401  -7.664 -14.707
   46    H    SER  33           HN       SER  33  -6.095  -1.068 -14.090
   47    HA   SER  33           HA       SER  33  -7.442  -2.247 -16.390
   48   1HB   SER  33          2HB       SER  33  -8.436  -1.104 -13.944
   49   2HB   SER  33          3HB       SER  33  -8.934  -0.052 -15.256
   50    HG   SER  33           HG       SER  33 -10.409  -1.498 -15.787
   51    H    CYS  34           HN       CYS  34  -6.134   0.790 -14.934
   52    HA   CYS  34           HA       CYS  34  -6.256   1.996 -17.596
   53   1HB   CYS  34          2HB       CYS  34  -5.967   4.167 -16.396
   54   2HB   CYS  34          3HB       CYS  34  -7.454   3.327 -16.001
   55    H    GLY  35           HN       GLY  35  -4.229   0.972 -14.848
   56   1HA   GLY  35          1HA       GLY  35  -2.008   0.353 -15.033
   57   2HA   GLY  35          2HA       GLY  35  -1.854   1.267 -16.520
   58    H    LYS  36           HN       LYS  36  -3.460   2.703 -13.693
   59    HA   LYS  36           HA       LYS  36  -1.201   4.553 -13.487
   60   1HB   LYS  36          2HB       LYS  36  -3.878   5.050 -13.861
   61   2HB   LYS  36          3HB       LYS  36  -3.724   5.237 -12.125
   62   1HG   LYS  36          2HG       LYS  36  -1.437   6.524 -13.229
   63   2HG   LYS  36          3HG       LYS  36  -2.777   7.000 -14.253
   64   1HD   LYS  36          2HD       LYS  36  -4.041   7.432 -11.967
   65   2HD   LYS  36          3HD       LYS  36  -2.432   7.440 -11.271
   66   1HE   LYS  36          2HE       LYS  36  -2.873   9.104 -13.745
   67   2HE   LYS  36          3HE       LYS  36  -3.585   9.680 -12.252
   68   1HZ   LYS  36          1HZ       LYS  36  -1.572  10.501 -11.899
   69   2HZ   LYS  36          2HZ       LYS  36  -1.121   8.987 -11.488
   70   3HZ   LYS  36          3HZ       LYS  36  -0.840   9.540 -12.999
   71    H    THR  37           HN       THR  37  -1.409   5.572 -10.990
   72    HA   THR  37           HA       THR  37  -1.276   3.211  -9.231
   73    HB   THR  37           HB       THR  37   0.793   4.028  -8.337
   74    HG1  THR  37           HG1      THR  37   0.253   6.415  -9.953
   75   1HG2  THR  37          1HG2      THR  37   2.256   4.573 -10.292
   76   2HG2  THR  37          2HG2      THR  37   1.188   3.199 -10.664
   77   3HG2  THR  37          3HG2      THR  37   0.808   4.817 -11.300
   78    H    GLY  38           HN       GLY  38  -1.987   3.457  -7.102
   79   1HA   GLY  38          1HA       GLY  38  -2.625   5.006  -5.343
   80   2HA   GLY  38          2HA       GLY  38  -3.363   6.021  -6.566
   81    H    HIS  39           HN       HIS  39  -3.782   2.729  -7.403
   82    HA   HIS  39           HA       HIS  39  -5.868   1.981  -5.734
   83   1HB   HIS  39          2HB       HIS  39  -7.832   2.424  -7.041
   84   2HB   HIS  39          3HB       HIS  39  -7.018   3.937  -6.698
   85    HD1  HIS  39           HD1      HIS  39  -5.510   4.929  -8.763
   86    HD2  HIS  39           HD2      HIS  39  -8.317   1.959  -9.712
   87    HE1  HIS  39           HE1      HIS  39  -5.860   5.056 -11.288
   88    H    ILE  40           HN       ILE  40  -6.865  -0.059  -6.462
   89    HA   ILE  40           HA       ILE  40  -5.110  -1.370  -8.396
   90    HB   ILE  40           HB       ILE  40  -6.928  -2.450  -6.241
   91   1HG1  ILE  40          2HG1      ILE  40  -4.306  -3.291  -5.809
   92   2HG1  ILE  40          3HG1      ILE  40  -4.127  -1.624  -6.317
   93   1HG2  ILE  40          1HG2      ILE  40  -5.153  -3.945  -8.190
   94   2HG2  ILE  40          2HG2      ILE  40  -5.990  -4.657  -6.790
   95   3HG2  ILE  40          3HG2      ILE  40  -6.932  -3.972  -8.136
   96   1HD1  ILE  40          1HD1      ILE  40  -6.245  -2.340  -4.273
   97   2HD1  ILE  40          2HD1      ILE  40  -4.548  -2.153  -3.774
   98   3HD1  ILE  40          3HD1      ILE  40  -5.410  -0.789  -4.524
   99    H    LYS  41           HN       LYS  41  -6.148  -2.998  -9.886
  100    HA   LYS  41           HA       LYS  41  -7.972  -1.795 -11.524
  101   1HB   LYS  41          2HB       LYS  41  -6.837  -3.505 -12.539
  102   2HB   LYS  41          3HB       LYS  41  -6.955  -4.573 -11.156
  103   1HG   LYS  41          2HG       LYS  41  -9.427  -4.836 -11.616
  104   2HG   LYS  41          3HG       LYS  41  -9.239  -3.845 -13.050
  105   1HD   LYS  41          2HD       LYS  41  -8.624  -5.682 -14.224
  106   2HD   LYS  41          3HD       LYS  41  -7.205  -5.846 -13.208
  107   1HE   LYS  41          2HE       LYS  41  -8.621  -7.109 -11.522
  108   2HE   LYS  41          3HE       LYS  41  -9.965  -7.031 -12.644
  109   1HZ   LYS  41          1HZ       LYS  41  -7.373  -8.159 -13.414
  110   2HZ   LYS  41          2HZ       LYS  41  -8.551  -9.066 -12.740
  111   3HZ   LYS  41          3HZ       LYS  41  -8.808  -8.331 -14.175
  112    H    ARG  42           HN       ARG  42  -8.617  -4.336  -9.009
  113    HA   ARG  42           HA       ARG  42 -11.323  -4.405  -9.403
  114   1HB   ARG  42          2HB       ARG  42  -9.528  -5.689  -7.748
  115   2HB   ARG  42          3HB       ARG  42 -10.381  -4.703  -6.577
  116   1HG   ARG  42          2HG       ARG  42 -12.504  -5.666  -8.035
  117   2HG   ARG  42          3HG       ARG  42 -11.379  -6.998  -8.212
  118   1HD   ARG  42          2HD       ARG  42 -11.481  -7.571  -5.973
  119   2HD   ARG  42          3HD       ARG  42 -11.598  -5.905  -5.440
  120    HE   ARG  42           HE       ARG  42 -13.919  -6.124  -5.433
  121   1HH1  ARG  42          2HH2      ARG  42 -12.573  -8.547  -7.600
  122   2HH1  ARG  42          1HH2      ARG  42 -14.102  -9.294  -7.922
  123   1HH2  ARG  42          2HH1      ARG  42 -15.936  -7.109  -5.856
  124   2HH2  ARG  42          1HH1      ARG  42 -16.028  -8.470  -6.923
  125    H    ASP  43           HN       ASP  43  -9.262  -2.083  -7.681
  126    HA   ASP  43           HA       ASP  43 -11.396  -0.955  -6.202
  127   1HB   ASP  43          2HB       ASP  43  -8.715   0.325  -6.891
  128   2HB   ASP  43          3HB       ASP  43  -9.754   0.729  -5.539
  129    H    CYS  44           HN       CYS  44 -10.084  -0.720  -9.439
  130    HA   CYS  44           HA       CYS  44 -10.953   1.963  -9.907
  131   1HB   CYS  44          2HB       CYS  44  -9.006   0.654 -11.054
  132   2HB   CYS  44          3HB       CYS  44 -10.263  -0.012 -12.078
  133    H    LYS  45           HN       LYS  45 -13.126   2.413 -10.045
  134    HA   LYS  45           HA       LYS  45 -14.761   0.582 -11.622
  135   1HB   LYS  45          2HB       LYS  45 -15.154  -0.145  -9.358
  136   2HB   LYS  45          3HB       LYS  45 -15.394   1.501  -8.807
  137   1HG   LYS  45          2HG       LYS  45 -17.212   1.237 -10.946
  138   2HG   LYS  45          3HG       LYS  45 -17.292  -0.315 -10.135
  139   1HD   LYS  45          2HD       LYS  45 -18.685   0.668  -8.632
  140   2HD   LYS  45          3HD       LYS  45 -17.277   1.497  -8.001
  141   1HE   LYS  45          2HE       LYS  45 -17.927   3.509  -8.869
  142   2HE   LYS  45          3HE       LYS  45 -18.334   2.809 -10.423
  143   1HZ   LYS  45          1HZ       LYS  45 -20.250   1.850  -8.819
  144   2HZ   LYS  45          2HZ       LYS  45 -20.022   3.341  -8.195
  145   3HZ   LYS  45          3HZ       LYS  45 -20.407   3.165  -9.772
  146    H    GLU  46           HN       GLU  46 -14.066   2.462 -13.099
  147    HA   GLU  46           HA       GLU  46 -15.486   4.893 -12.502
  148   1HB   GLU  46          2HB       GLU  46 -13.215   5.077 -13.406
  149   2HB   GLU  46          3HB       GLU  46 -13.643   4.103 -14.798
  150   1HG   GLU  46          2HG       GLU  46 -15.111   5.808 -15.674
  151   2HG   GLU  46          3HG       GLU  46 -15.106   6.697 -14.164
  152    H    GLU  47           HN       GLU  47 -15.200   2.778 -15.456
  153    HA   GLU  47           HA       GLU  47 -16.616   2.524 -17.123
  154   1HB   GLU  47          2HB       GLU  47 -18.403   1.074 -16.568
  155   2HB   GLU  47          3HB       GLU  47 -17.258   0.850 -15.260
  156   1HG   GLU  47          2HG       GLU  47 -18.537   2.441 -13.839
  157   2HG   GLU  47          3HG       GLU  47 -19.658   2.738 -15.153
  Start of MODEL   17
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   2.181   0.828  -0.395
    3   1HB   LYS  27          2HB       LYS  27   1.021  -1.902  -0.551
    4   2HB   LYS  27          3HB       LYS  27   2.083  -1.444  -1.867
    5   1HG   LYS  27          2HG       LYS  27   3.154  -0.619   0.756
    6   2HG   LYS  27          3HG       LYS  27   2.880  -2.348   0.674
    7   1HD   LYS  27          2HD       LYS  27   5.097  -2.064  -0.152
    8   2HD   LYS  27          3HD       LYS  27   4.127  -2.305  -1.591
    9   1HE   LYS  27          2HE       LYS  27   4.535  -0.191  -2.367
   10   2HE   LYS  27          3HE       LYS  27   4.270   0.539  -0.796
   11   1HZ   LYS  27          1HZ       LYS  27   6.689  -0.051  -2.027
   12   2HZ   LYS  27          2HZ       LYS  27   6.440   0.699  -0.598
   13   3HZ   LYS  27          3HZ       LYS  27   6.608  -0.924  -0.650
   14    H    GLY  28           HN       GLY  28   2.610   1.745  -2.392
   15   1HA   GLY  28          1HA       GLY  28   0.248   2.330  -4.014
   16   2HA   GLY  28          2HA       GLY  28   1.804   3.135  -4.064
   17    HA   PRO  29           HA       PRO  29   1.500  -0.211  -7.296
   18   1HB   PRO  29          2HB       PRO  29   0.564   1.143  -9.478
   19   2HB   PRO  29          3HB       PRO  29  -0.460   0.161  -8.448
   20   1HG   PRO  29          2HG       PRO  29  -0.257   3.107  -8.593
   21   2HG   PRO  29          3HG       PRO  29  -1.537   2.126  -7.905
   22   1HD   PRO  29          2HD       PRO  29   0.498   3.547  -6.467
   23   2HD   PRO  29          3HD       PRO  29  -0.711   2.475  -5.789
   24    H    VAL  30           HN       VAL  30   3.381  -0.770  -8.200
   25    HA   VAL  30           HA       VAL  30   5.156   1.482  -8.722
   26    HB   VAL  30           HB       VAL  30   5.905  -0.292  -7.226
   27   1HG1  VAL  30          1HG1      VAL  30   5.484  -2.098  -9.626
   28   2HG1  VAL  30          2HG1      VAL  30   6.430  -2.555  -8.189
   29   3HG1  VAL  30          3HG1      VAL  30   4.693  -2.200  -8.035
   30   1HG2  VAL  30          1HG2      VAL  30   7.330   0.855  -9.285
   31   2HG2  VAL  30          2HG2      VAL  30   8.025  -0.082  -7.939
   32   3HG2  VAL  30          3HG2      VAL  30   7.682  -0.878  -9.494
   33    H    CYS  31           HN       CYS  31   5.879   2.028 -10.755
   34    HA   CYS  31           HA       CYS  31   4.525   0.683 -12.929
   35   1HB   CYS  31          2HB       CYS  31   4.475   3.153 -12.799
   36   2HB   CYS  31          3HB       CYS  31   6.221   3.203 -12.933
   37    H    PHE  32           HN       PHE  32   5.554  -1.022 -13.911
   38    HA   PHE  32           HA       PHE  32   8.392  -1.340 -13.516
   39   1HB   PHE  32          2HB       PHE  32   5.987  -2.881 -14.505
   40   2HB   PHE  32          3HB       PHE  32   7.526  -3.374 -15.183
   41    HD1  PHE  32           HD1      PHE  32   9.448  -3.663 -13.326
   42    HD2  PHE  32           HD2      PHE  32   5.277  -3.970 -12.607
   43    HE1  PHE  32           HE1      PHE  32   9.903  -5.052 -11.285
   44    HE2  PHE  32           HE2      PHE  32   5.732  -5.359 -10.565
   45    HZ   PHE  32           HZ       PHE  32   8.039  -5.883  -9.929
   46    H    SER  33           HN       SER  33   6.991   0.788 -15.380
   47    HA   SER  33           HA       SER  33   8.419  -0.009 -17.793
   48   1HB   SER  33          2HB       SER  33   5.776   0.995 -17.411
   49   2HB   SER  33          3HB       SER  33   6.678   2.291 -18.170
   50    HG   SER  33           HG       SER  33   7.075  -0.300 -19.254
   51    H    CYS  34           HN       CYS  34   7.719   2.672 -15.478
   52    HA   CYS  34           HA       CYS  34  10.021   4.094 -16.593
   53   1HB   CYS  34          2HB       CYS  34   9.074   6.102 -15.454
   54   2HB   CYS  34          3HB       CYS  34   8.047   5.453 -16.715
   55    H    GLY  35           HN       GLY  35   8.507   2.570 -13.752
   56   1HA   GLY  35          1HA       GLY  35   9.678   1.665 -11.977
   57   2HA   GLY  35          2HA       GLY  35  11.072   2.655 -12.362
   58    H    LYS  36           HN       LYS  36   7.820   4.090 -12.272
   59    HA   LYS  36           HA       LYS  36   8.663   5.572  -9.891
   60   1HB   LYS  36          2HB       LYS  36   8.046   6.666 -12.187
   61   2HB   LYS  36          3HB       LYS  36   6.391   6.375 -11.692
   62   1HG   LYS  36          2HG       LYS  36   6.457   7.976 -10.044
   63   2HG   LYS  36          3HG       LYS  36   8.087   7.559  -9.557
   64   1HD   LYS  36          2HD       LYS  36   8.857   8.669 -11.784
   65   2HD   LYS  36          3HD       LYS  36   7.236   9.327 -11.885
   66   1HE   LYS  36          2HE       LYS  36   8.388  11.044 -10.758
   67   2HE   LYS  36          3HE       LYS  36   7.656  10.168  -9.428
   68   1HZ   LYS  36          1HZ       LYS  36  10.260  10.685  -9.660
   69   2HZ   LYS  36          2HZ       LYS  36   9.636   9.503  -8.721
   70   3HZ   LYS  36          3HZ       LYS  36  10.203   9.148 -10.211
   71    H    THR  37           HN       THR  37   6.333   6.438  -8.811
   72    HA   THR  37           HA       THR  37   4.821   3.963  -8.291
   73    HB   THR  37           HB       THR  37   4.940   4.420  -5.941
   74    HG1  THR  37           HG1      THR  37   5.991   6.993  -6.891
   75   1HG2  THR  37          1HG2      THR  37   7.322   4.831  -5.408
   76   2HG2  THR  37          2HG2      THR  37   7.214   3.742  -6.812
   77   3HG2  THR  37          3HG2      THR  37   7.600   5.464  -7.049
   78    H    GLY  38           HN       GLY  38   2.594   4.169  -7.869
   79   1HA   GLY  38          1HA       GLY  38   0.739   5.662  -7.442
   80   2HA   GLY  38          2HA       GLY  38   1.496   6.844  -8.493
   81    H    HIS  39           HN       HIS  39   2.087   3.738  -9.760
   82    HA   HIS  39           HA       HIS  39  -0.345   3.115 -10.940
   83   1HB   HIS  39          2HB       HIS  39  -0.124   3.942 -13.180
   84   2HB   HIS  39          3HB       HIS  39  -0.073   5.294 -12.068
   85    HD1  HIS  39           HD1      HIS  39   2.273   6.494 -11.727
   86    HD2  HIS  39           HD2      HIS  39   2.178   3.565 -14.730
   87    HE1  HIS  39           HE1      HIS  39   4.377   6.837 -13.128
   88    H    ILE  40           HN       ILE  40  -0.115   1.312 -12.489
   89    HA   ILE  40           HA       ILE  40   2.444  -0.029 -12.049
   90    HB   ILE  40           HB       ILE  40  -0.283  -1.061 -12.830
   91   1HG1  ILE  40          2HG1      ILE  40   0.586  -2.284 -10.478
   92   2HG1  ILE  40          3HG1      ILE  40   1.071  -0.612 -10.281
   93   1HG2  ILE  40          1HG2      ILE  40   2.301  -2.589 -12.409
   94   2HG2  ILE  40          2HG2      ILE  40   0.688  -3.308 -12.633
   95   3HG2  ILE  40          3HG2      ILE  40   1.436  -2.371 -13.949
   96   1HD1  ILE  40          1HD1      ILE  40  -1.706  -1.257 -11.309
   97   2HD1  ILE  40          2HD1      ILE  40  -1.354  -1.326  -9.566
   98   3HD1  ILE  40          3HD1      ILE  40  -1.140   0.200 -10.458
   99    H    LYS  41           HN       LYS  41   3.328  -1.338 -13.900
  100    HA   LYS  41           HA       LYS  41   3.890   0.249 -16.048
  101   1HB   LYS  41          2HB       LYS  41   5.362  -1.489 -15.794
  102   2HB   LYS  41          3HB       LYS  41   4.109  -2.664 -15.448
  103   1HG   LYS  41          2HG       LYS  41   4.033  -1.464 -18.190
  104   2HG   LYS  41          3HG       LYS  41   5.409  -2.496 -17.853
  105   1HD   LYS  41          2HD       LYS  41   2.735  -3.541 -16.987
  106   2HD   LYS  41          3HD       LYS  41   3.000  -3.445 -18.716
  107   1HE   LYS  41          2HE       LYS  41   4.068  -5.448 -18.521
  108   2HE   LYS  41          3HE       LYS  41   5.398  -4.549 -17.820
  109   1HZ   LYS  41          1HZ       LYS  41   4.921  -5.327 -15.811
  110   2HZ   LYS  41          2HZ       LYS  41   3.307  -5.138 -15.970
  111   3HZ   LYS  41          3HZ       LYS  41   4.036  -6.470 -16.572
  112    H    ARG  42           HN       ARG  42   1.432  -2.420 -15.879
  113    HA   ARG  42           HA       ARG  42   0.519  -2.093 -18.435
  114   1HB   ARG  42          2HB       ARG  42  -0.632  -3.206 -15.878
  115   2HB   ARG  42          3HB       ARG  42  -1.736  -2.972 -17.217
  116   1HG   ARG  42          2HG       ARG  42  -0.904  -4.765 -18.345
  117   2HG   ARG  42          3HG       ARG  42   0.750  -4.222 -18.136
  118   1HD   ARG  42          2HD       ARG  42   0.759  -6.234 -16.917
  119   2HD   ARG  42          3HD       ARG  42   0.467  -5.062 -15.649
  120    HE   ARG  42           HE       ARG  42  -2.089  -5.700 -16.481
  121   1HH1  ARG  42          2HH2      ARG  42   0.671  -7.631 -15.461
  122   2HH1  ARG  42          1HH2      ARG  42  -0.301  -8.915 -14.823
  123   1HH2  ARG  42          2HH1      ARG  42  -3.372  -7.393 -15.640
  124   2HH2  ARG  42          1HH1      ARG  42  -2.616  -8.779 -14.926
  125    H    ASP  43           HN       ASP  43  -0.120  -0.252 -15.465
  126    HA   ASP  43           HA       ASP  43  -2.434   1.014 -16.501
  127   1HB   ASP  43          2HB       ASP  43  -0.652   1.986 -14.227
  128   2HB   ASP  43          3HB       ASP  43  -2.348   2.355 -14.470
  129    H    CYS  44           HN       CYS  44   1.039   1.374 -16.735
  130    HA   CYS  44           HA       CYS  44   1.037   4.184 -17.206
  131   1HB   CYS  44          2HB       CYS  44   2.970   2.666 -16.329
  132   2HB   CYS  44          3HB       CYS  44   3.264   2.321 -18.021
  133    H    LYS  45           HN       LYS  45   0.010   4.960 -19.027
  134    HA   LYS  45           HA       LYS  45   0.101   3.303 -21.433
  135   1HB   LYS  45          2HB       LYS  45  -1.837   5.164 -20.244
  136   2HB   LYS  45          3HB       LYS  45  -1.577   5.437 -21.954
  137   1HG   LYS  45          2HG       LYS  45  -1.757   2.567 -21.372
  138   2HG   LYS  45          3HG       LYS  45  -3.173   3.414 -20.781
  139   1HD   LYS  45          2HD       LYS  45  -2.378   4.349 -23.461
  140   2HD   LYS  45          3HD       LYS  45  -2.694   2.625 -23.438
  141   1HE   LYS  45          2HE       LYS  45  -4.618   4.673 -22.245
  142   2HE   LYS  45          3HE       LYS  45  -4.724   4.127 -23.907
  143   1HZ   LYS  45          1HZ       LYS  45  -4.876   1.853 -23.026
  144   2HZ   LYS  45          2HZ       LYS  45  -4.935   2.449 -21.507
  145   3HZ   LYS  45          3HZ       LYS  45  -6.126   2.799 -22.568
  146    H    GLU  46           HN       GLU  46   2.299   3.712 -22.019
  147    HA   GLU  46           HA       GLU  46   3.171   6.395 -22.266
  148   1HB   GLU  46          2HB       GLU  46   5.147   5.250 -23.461
  149   2HB   GLU  46          3HB       GLU  46   4.873   4.810 -21.786
  150   1HG   GLU  46          2HG       GLU  46   3.404   3.152 -23.795
  151   2HG   GLU  46          3HG       GLU  46   5.150   2.991 -23.827
  152    H    GLU  47           HN       GLU  47   1.347   4.164 -24.227
  153    HA   GLU  47           HA       GLU  47   2.110   4.987 -26.744
  154   1HB   GLU  47          2HB       GLU  47  -0.540   3.926 -25.683
  155   2HB   GLU  47          3HB       GLU  47  -0.241   4.184 -27.390
  156   1HG   GLU  47          2HG       GLU  47   1.781   2.668 -27.221
  157   2HG   GLU  47          3HG       GLU  47   1.363   2.349 -25.549
  Start of MODEL   18
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   1.478   1.216  -1.157
    3   1HB   LYS  27          2HB       LYS  27   2.506  -0.443   0.959
    4   2HB   LYS  27          3HB       LYS  27   3.044  -1.082  -0.581
    5   1HG   LYS  27          2HG       LYS  27   4.679   0.514  -0.400
    6   2HG   LYS  27          3HG       LYS  27   3.446   1.586  -1.036
    7   1HD   LYS  27          2HD       LYS  27   2.993   2.547   1.057
    8   2HD   LYS  27          3HD       LYS  27   3.500   1.124   1.944
    9   1HE   LYS  27          2HE       LYS  27   5.878   1.794   0.760
   10   2HE   LYS  27          3HE       LYS  27   5.151   3.384   0.875
   11   1HZ   LYS  27          1HZ       LYS  27   5.403   3.374   3.059
   12   2HZ   LYS  27          2HZ       LYS  27   4.833   1.856   3.249
   13   3HZ   LYS  27          3HZ       LYS  27   6.402   2.097   2.870
   14    H    GLY  28           HN       GLY  28  -0.859   0.377  -2.094
   15   1HA   GLY  28          1HA       GLY  28  -0.886  -0.659  -4.362
   16   2HA   GLY  28          2HA       GLY  28  -0.263  -2.104  -3.592
   17    HA   PRO  29           HA       PRO  29  -4.806  -2.349  -3.458
   18   1HB   PRO  29          2HB       PRO  29  -5.106  -4.700  -4.819
   19   2HB   PRO  29          3HB       PRO  29  -5.229  -3.128  -5.584
   20   1HG   PRO  29          2HG       PRO  29  -3.017  -5.085  -5.715
   21   2HG   PRO  29          3HG       PRO  29  -3.351  -3.734  -6.779
   22   1HD   PRO  29          2HD       PRO  29  -1.349  -3.850  -4.728
   23   2HD   PRO  29          3HD       PRO  29  -1.761  -2.460  -5.714
   24    H    VAL  30           HN       VAL  30  -5.797  -3.011  -1.658
   25    HA   VAL  30           HA       VAL  30  -4.397  -5.165  -0.266
   26    HB   VAL  30           HB       VAL  30  -4.694  -3.013   0.873
   27   1HG1  VAL  30          1HG1      VAL  30  -6.601  -1.852   0.859
   28   2HG1  VAL  30          2HG1      VAL  30  -7.254  -3.058  -0.276
   29   3HG1  VAL  30          3HG1      VAL  30  -7.524  -3.244   1.475
   30   1HG2  VAL  30          1HG2      VAL  30  -5.077  -3.958   2.921
   31   2HG2  VAL  30          2HG2      VAL  30  -6.526  -4.834   2.372
   32   3HG2  VAL  30          3HG2      VAL  30  -4.906  -5.444   1.957
   33    H    CYS  31           HN       CYS  31  -5.388  -7.112   0.246
   34    HA   CYS  31           HA       CYS  31  -7.867  -7.583  -1.182
   35   1HB   CYS  31          2HB       CYS  31  -5.950  -9.117  -1.537
   36   2HB   CYS  31          3HB       CYS  31  -5.986  -9.554   0.160
   37    H    PHE  32           HN       PHE  32  -9.744  -7.274  -0.036
   38    HA   PHE  32           HA       PHE  32  -9.644  -7.278   2.841
   39   1HB   PHE  32          2HB       PHE  32 -11.150  -6.103   0.704
   40   2HB   PHE  32          3HB       PHE  32 -12.286  -7.169   1.508
   41    HD1  PHE  32           HD1      PHE  32 -13.128  -6.660   3.689
   42    HD2  PHE  32           HD2      PHE  32 -10.111  -4.233   1.954
   43    HE1  PHE  32           HE1      PHE  32 -13.511  -4.920   5.458
   44    HE2  PHE  32           HE2      PHE  32 -10.493  -2.494   3.722
   45    HZ   PHE  32           HZ       PHE  32 -12.189  -2.858   5.453
   46    H    SER  33           HN       SER  33  -9.457  -9.800   0.890
   47    HA   SER  33           HA       SER  33 -11.633 -11.262   2.154
   48   1HB   SER  33          2HB       SER  33 -10.306 -11.399  -0.487
   49   2HB   SER  33          3HB       SER  33 -10.504 -12.970   0.264
   50    HG   SER  33           HG       SER  33 -12.839 -11.921   0.686
   51    H    CYS  34           HN       CYS  34  -8.100 -11.335   1.373
   52    HA   CYS  34           HA       CYS  34  -7.805 -13.454   3.365
   53   1HB   CYS  34          2HB       CYS  34  -5.549 -13.794   2.342
   54   2HB   CYS  34          3HB       CYS  34  -6.884 -14.111   1.252
   55    H    GLY  35           HN       GLY  35  -6.908 -10.138   2.367
   56   1HA   GLY  35          1HA       GLY  35  -6.414  -8.446   3.888
   57   2HA   GLY  35          2HA       GLY  35  -5.921  -9.633   5.079
   58    H    LYS  36           HN       LYS  36  -4.856  -9.927   1.699
   59    HA   LYS  36           HA       LYS  36  -2.141  -9.330   2.620
   60   1HB   LYS  36          2HB       LYS  36  -3.283 -11.160   0.529
   61   2HB   LYS  36          3HB       LYS  36  -1.646 -10.563   0.349
   62   1HG   LYS  36          2HG       LYS  36  -1.494 -11.305   2.946
   63   2HG   LYS  36          3HG       LYS  36  -2.785 -12.385   2.459
   64   1HD   LYS  36          2HD       LYS  36  -0.382 -12.224   0.653
   65   2HD   LYS  36          3HD       LYS  36  -0.169 -13.036   2.192
   66   1HE   LYS  36          2HE       LYS  36  -2.621 -14.048   1.234
   67   2HE   LYS  36          3HE       LYS  36  -1.628 -13.934  -0.204
   68   1HZ   LYS  36          1HZ       LYS  36  -0.352 -15.578   0.510
   69   2HZ   LYS  36          2HZ       LYS  36  -0.217 -14.986   2.027
   70   3HZ   LYS  36          3HZ       LYS  36  -1.508 -15.900   1.619
   71    H    THR  37           HN       THR  37  -0.806  -8.683   0.362
   72    HA   THR  37           HA       THR  37  -2.314  -6.415  -0.758
   73    HB   THR  37           HB       THR  37  -0.422  -4.990  -0.372
   74    HG1  THR  37           HG1      THR  37   1.604  -6.144   0.379
   75   1HG2  THR  37          1HG2      THR  37   0.183  -6.616   2.042
   76   2HG2  THR  37          2HG2      THR  37  -0.370  -4.928   1.929
   77   3HG2  THR  37          3HG2      THR  37  -1.548  -6.259   1.836
   78    H    GLY  38           HN       GLY  38  -1.974  -5.915  -2.924
   79   1HA   GLY  38          1HA       GLY  38  -0.523  -6.207  -4.861
   80   2HA   GLY  38          2HA       GLY  38  -0.315  -7.881  -4.387
   81    H    HIS  39           HN       HIS  39  -3.500  -6.723  -3.707
   82    HA   HIS  39           HA       HIS  39  -4.683  -6.931  -6.207
   83   1HB   HIS  39          2HB       HIS  39  -5.661  -9.131  -6.183
   84   2HB   HIS  39          3HB       HIS  39  -3.916  -9.266  -6.128
   85    HD1  HIS  39           HD1      HIS  39  -3.096  -9.288  -3.318
   86    HD2  HIS  39           HD2      HIS  39  -6.767 -10.946  -4.489
   87    HE1  HIS  39           HE1      HIS  39  -3.764 -10.920  -1.474
   88    H    ILE  40           HN       ILE  40  -7.053  -6.781  -6.051
   89    HA   ILE  40           HA       ILE  40  -7.806  -5.768  -3.418
   90    HB   ILE  40           HB       ILE  40  -8.985  -5.370  -6.167
   91   1HG1  ILE  40          2HG1      ILE  40  -8.276  -2.918  -5.040
   92   2HG1  ILE  40          3HG1      ILE  40  -6.953  -3.978  -4.600
   93   1HG2  ILE  40          1HG2      ILE  40 -10.400  -3.633  -4.968
   94   2HG2  ILE  40          2HG2      ILE  40 -10.841  -5.339  -4.712
   95   3HG2  ILE  40          3HG2      ILE  40  -9.947  -4.453  -3.454
   96   1HD1  ILE  40          1HD1      ILE  40  -6.890  -2.745  -6.923
   97   2HD1  ILE  40          2HD1      ILE  40  -6.399  -4.454  -6.842
   98   3HD1  ILE  40          3HD1      ILE  40  -8.021  -4.021  -7.435
   99    H    LYS  41           HN       LYS  41 -10.094  -6.239  -2.686
  100    HA   LYS  41           HA       LYS  41 -10.458  -8.931  -2.356
  101   1HB   LYS  41          2HB       LYS  41 -12.647  -8.362  -1.476
  102   2HB   LYS  41          3HB       LYS  41 -11.457  -7.191  -0.944
  103   1HG   LYS  41          2HG       LYS  41 -12.177  -5.729  -2.943
  104   2HG   LYS  41          3HG       LYS  41 -13.510  -6.843  -3.172
  105   1HD   LYS  41          2HD       LYS  41 -14.489  -6.303  -1.055
  106   2HD   LYS  41          3HD       LYS  41 -13.012  -5.575  -0.456
  107   1HE   LYS  41          2HE       LYS  41 -14.416  -4.409  -2.885
  108   2HE   LYS  41          3HE       LYS  41 -14.966  -4.010  -1.271
  109   1HZ   LYS  41          1HZ       LYS  41 -13.285  -2.490  -2.183
  110   2HZ   LYS  41          2HZ       LYS  41 -12.841  -3.148  -0.756
  111   3HZ   LYS  41          3HZ       LYS  41 -12.181  -3.694  -2.146
  112    H    ARG  42           HN       ARG  42 -12.186  -6.745  -4.688
  113    HA   ARG  42           HA       ARG  42 -13.677  -8.726  -5.838
  114   1HB   ARG  42          2HB       ARG  42 -12.554  -6.138  -7.016
  115   2HB   ARG  42          3HB       ARG  42 -13.731  -7.127  -7.856
  116   1HG   ARG  42          2HG       ARG  42 -14.286  -6.248  -5.009
  117   2HG   ARG  42          3HG       ARG  42 -14.537  -5.117  -6.324
  118   1HD   ARG  42          2HD       ARG  42 -16.179  -6.545  -7.379
  119   2HD   ARG  42          3HD       ARG  42 -15.738  -7.918  -6.384
  120    HE   ARG  42           HE       ARG  42 -16.542  -5.836  -4.624
  121   1HH1  ARG  42          2HH2      ARG  42 -17.959  -7.891  -7.103
  122   2HH1  ARG  42          1HH2      ARG  42 -19.546  -7.853  -6.409
  123   1HH2  ARG  42          2HH1      ARG  42 -18.635  -5.785  -3.708
  124   2HH2  ARG  42          1HH1      ARG  42 -19.933  -6.647  -4.465
  125    H    ASP  43           HN       ASP  43 -10.267  -7.865  -6.214
  126    HA   ASP  43           HA       ASP  43  -9.958  -9.185  -8.697
  127   1HB   ASP  43          2HB       ASP  43  -7.843  -8.459  -6.617
  128   2HB   ASP  43          3HB       ASP  43  -7.540  -8.834  -8.302
  129    H    CYS  44           HN       CYS  44  -9.847  -9.986  -5.238
  130    HA   CYS  44           HA       CYS  44  -8.398 -12.420  -5.611
  131   1HB   CYS  44          2HB       CYS  44  -8.494 -10.913  -3.495
  132   2HB   CYS  44          3HB       CYS  44 -10.011 -11.724  -3.156
  133    H    LYS  45           HN       LYS  45  -9.394 -14.079  -6.718
  134    HA   LYS  45           HA       LYS  45 -11.752 -15.225  -5.728
  135   1HB   LYS  45          2HB       LYS  45 -12.682 -13.157  -6.881
  136   2HB   LYS  45          3HB       LYS  45 -12.155 -13.857  -8.397
  137   1HG   LYS  45          2HG       LYS  45 -14.344 -14.672  -8.283
  138   2HG   LYS  45          3HG       LYS  45 -13.463 -16.006  -7.564
  139   1HD   LYS  45          2HD       LYS  45 -14.520 -15.733  -5.572
  140   2HD   LYS  45          3HD       LYS  45 -14.098 -14.033  -5.512
  141   1HE   LYS  45          2HE       LYS  45 -16.043 -13.425  -6.866
  142   2HE   LYS  45          3HE       LYS  45 -16.399 -15.106  -7.207
  143   1HZ   LYS  45          1HZ       LYS  45 -16.538 -13.794  -4.585
  144   2HZ   LYS  45          2HZ       LYS  45 -17.788 -14.370  -5.463
  145   3HZ   LYS  45          3HZ       LYS  45 -16.712 -15.403  -4.800
  146    H    GLU  46           HN       GLU  46 -10.092 -16.902  -5.725
  147    HA   GLU  46           HA       GLU  46  -9.636 -17.923  -8.421
  148   1HB   GLU  46          2HB       GLU  46  -7.535 -17.291  -7.329
  149   2HB   GLU  46          3HB       GLU  46  -7.943 -18.224  -5.904
  150   1HG   GLU  46          2HG       GLU  46  -7.683 -20.309  -7.037
  151   2HG   GLU  46          3HG       GLU  46  -7.818 -19.572  -8.621
  152    H    GLU  47           HN       GLU  47  -9.875 -19.031  -4.958
  153    HA   GLU  47           HA       GLU  47 -11.082 -21.467  -5.972
  154   1HB   GLU  47          2HB       GLU  47  -9.144 -21.022  -4.017
  155   2HB   GLU  47          3HB       GLU  47 -10.589 -21.289  -3.062
  156   1HG   GLU  47          2HG       GLU  47 -10.371 -23.516  -3.413
  157   2HG   GLU  47          3HG       GLU  47 -10.677 -23.254  -5.119
  Start of MODEL   19
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   2.094  -0.456  -0.341
    3   1HB   LYS  27          2HB       LYS  27  -0.302  -0.210  -2.060
    4   2HB   LYS  27          3HB       LYS  27   1.224   0.071  -2.873
    5   1HG   LYS  27          2HG       LYS  27   1.691  -2.147  -2.868
    6   2HG   LYS  27          3HG       LYS  27   1.539  -2.212  -1.122
    7   1HD   LYS  27          2HD       LYS  27  -0.744  -2.809  -1.198
    8   2HD   LYS  27          3HD       LYS  27  -0.981  -2.117  -2.790
    9   1HE   LYS  27          2HE       LYS  27  -0.342  -4.038  -3.858
   10   2HE   LYS  27          3HE       LYS  27   1.026  -4.289  -2.792
   11   1HZ   LYS  27          1HZ       LYS  27  -0.358  -5.991  -2.234
   12   2HZ   LYS  27          2HZ       LYS  27  -0.802  -4.893  -1.110
   13   3HZ   LYS  27          3HZ       LYS  27  -1.734  -5.133  -2.430
   14    H    GLY  28           HN       GLY  28   2.542   1.697   1.034
   15   1HA   GLY  28          1HA       GLY  28   3.553   3.703   1.061
   16   2HA   GLY  28          2HA       GLY  28   4.046   3.379  -0.588
   17    HA   PRO  29           HA       PRO  29  -0.072   5.686  -0.925
   18   1HB   PRO  29          2HB       PRO  29  -1.486   6.353   1.317
   19   2HB   PRO  29          3HB       PRO  29  -1.807   4.911   0.375
   20   1HG   PRO  29          2HG       PRO  29  -0.454   5.152   2.993
   21   2HG   PRO  29          3HG       PRO  29  -1.155   3.730   2.246
   22   1HD   PRO  29          2HD       PRO  29   1.634   4.379   2.421
   23   2HD   PRO  29          3HD       PRO  29   0.924   3.017   1.574
   24    H    VAL  30           HN       VAL  30   0.034   7.742  -1.609
   25    HA   VAL  30           HA       VAL  30   1.748   9.426   0.045
   26    HB   VAL  30           HB       VAL  30   2.342   9.054  -2.304
   27   1HG1  VAL  30          1HG1      VAL  30   0.910   9.205  -4.023
   28   2HG1  VAL  30          2HG1      VAL  30  -0.380   9.229  -2.797
   29   3HG1  VAL  30          3HG1      VAL  30   0.254  10.758  -3.453
   30   1HG2  VAL  30          1HG2      VAL  30   2.327  11.446  -0.921
   31   2HG2  VAL  30          2HG2      VAL  30   3.205  11.123  -2.436
   32   3HG2  VAL  30          3HG2      VAL  30   1.599  11.889  -2.485
   33    H    CYS  31           HN       CYS  31   1.023  11.279   1.048
   34    HA   CYS  31           HA       CYS  31  -1.852  11.602   1.059
   35   1HB   CYS  31          2HB       CYS  31  -0.626  11.483   3.206
   36   2HB   CYS  31          3HB       CYS  31   0.277  12.922   2.776
   37    H    PHE  32           HN       PHE  32  -2.755  13.019  -0.392
   38    HA   PHE  32           HA       PHE  32  -1.055  14.967  -1.667
   39   1HB   PHE  32          2HB       PHE  32  -3.748  13.666  -1.971
   40   2HB   PHE  32          3HB       PHE  32  -3.696  15.327  -2.527
   41    HD1  PHE  32           HD1      PHE  32  -1.905  12.083  -2.900
   42    HD2  PHE  32           HD2      PHE  32  -2.933  15.799  -4.671
   43    HE1  PHE  32           HE1      PHE  32  -0.905  11.324  -5.074
   44    HE2  PHE  32           HE2      PHE  32  -1.933  15.040  -6.845
   45    HZ   PHE  32           HZ       PHE  32  -0.930  12.812  -7.020
   46    H    SER  33           HN       SER  33  -2.100  15.062   1.310
   47    HA   SER  33           HA       SER  33  -3.327  17.695   1.064
   48   1HB   SER  33          2HB       SER  33  -3.772  15.396   2.884
   49   2HB   SER  33          3HB       SER  33  -3.673  16.938   3.711
   50    HG   SER  33           HG       SER  33  -5.301  17.738   2.130
   51    H    CYS  34           HN       CYS  34  -0.874  15.689   2.794
   52    HA   CYS  34           HA       CYS  34   0.324  18.178   3.762
   53   1HB   CYS  34          2HB       CYS  34   1.525  16.722   5.398
   54   2HB   CYS  34          3HB       CYS  34  -0.216  16.731   5.598
   55    H    GLY  35           HN       GLY  35   0.699  15.203   1.838
   56   1HA   GLY  35          1HA       GLY  35   2.133  14.988   0.038
   57   2HA   GLY  35          2HA       GLY  35   3.118  16.308   0.636
   58    H    LYS  36           HN       LYS  36   2.040  13.739   2.844
   59    HA   LYS  36           HA       LYS  36   4.832  12.882   3.033
   60   1HB   LYS  36          2HB       LYS  36   3.193  13.785   4.994
   61   2HB   LYS  36          3HB       LYS  36   2.855  12.070   5.094
   62   1HG   LYS  36          2HG       LYS  36   5.691  12.312   4.786
   63   2HG   LYS  36          3HG       LYS  36   5.222  13.512   5.973
   64   1HD   LYS  36          2HD       LYS  36   3.910  11.689   7.185
   65   2HD   LYS  36          3HD       LYS  36   4.591  10.526   6.065
   66   1HE   LYS  36          2HE       LYS  36   6.040  10.448   7.961
   67   2HE   LYS  36          3HE       LYS  36   6.918  11.400   6.781
   68   1HZ   LYS  36          1HZ       LYS  36   5.260  12.532   8.927
   69   2HZ   LYS  36          2HZ       LYS  36   6.888  12.415   8.965
   70   3HZ   LYS  36          3HZ       LYS  36   6.165  13.382   7.866
   71    H    THR  37           HN       THR  37   4.678  10.389   4.081
   72    HA   THR  37           HA       THR  37   3.035   8.896   2.145
   73    HB   THR  37           HB       THR  37   4.928   7.511   1.648
   74    HG1  THR  37           HG1      THR  37   6.894   7.955   3.110
   75   1HG2  THR  37          1HG2      THR  37   5.311   9.760   0.642
   76   2HG2  THR  37          2HG2      THR  37   6.045  10.319   2.164
   77   3HG2  THR  37          3HG2      THR  37   6.851   9.062   1.196
   78    H    GLY  38           HN       GLY  38   2.148   6.928   2.829
   79   1HA   GLY  38          1HA       GLY  38   2.119   5.196   4.527
   80   2HA   GLY  38          2HA       GLY  38   2.391   6.435   5.736
   81    H    HIS  39           HN       HIS  39   0.382   7.705   3.288
   82    HA   HIS  39           HA       HIS  39  -2.074   6.574   3.913
   83   1HB   HIS  39          2HB       HIS  39  -3.079   8.171   5.394
   84   2HB   HIS  39          3HB       HIS  39  -1.648   7.511   6.159
   85    HD1  HIS  39           HD1      HIS  39   0.467   9.112   6.355
   86    HD2  HIS  39           HD2      HIS  39  -3.037  10.931   4.937
   87    HE1  HIS  39           HE1      HIS  39   0.847  11.629   6.528
   88    H    ILE  40           HN       ILE  40  -3.856   7.729   2.823
   89    HA   ILE  40           HA       ILE  40  -2.770   9.423   0.705
   90    HB   ILE  40           HB       ILE  40  -5.309   7.804   0.911
   91   1HG1  ILE  40          2HG1      ILE  40  -3.831   6.964  -1.286
   92   2HG1  ILE  40          3HG1      ILE  40  -2.604   7.255  -0.068
   93   1HG2  ILE  40          1HG2      ILE  40  -5.702   8.423  -1.435
   94   2HG2  ILE  40          2HG2      ILE  40  -5.745   9.836  -0.354
   95   3HG2  ILE  40          3HG2      ILE  40  -4.314   9.536  -1.369
   96   1HD1  ILE  40          1HD1      ILE  40  -3.535   5.686   1.443
   97   2HD1  ILE  40          2HD1      ILE  40  -5.126   5.724   0.646
   98   3HD1  ILE  40          3HD1      ILE  40  -3.755   4.907  -0.143
   99    H    LYS  41           HN       LYS  41  -4.167  11.273  -0.043
  100    HA   LYS  41           HA       LYS  41  -4.561  13.077   1.967
  101   1HB   LYS  41          2HB       LYS  41  -4.394  14.032  -0.114
  102   2HB   LYS  41          3HB       LYS  41  -5.438  12.851  -0.879
  103   1HG   LYS  41          2HG       LYS  41  -6.770  14.511   1.210
  104   2HG   LYS  41          3HG       LYS  41  -6.214  15.409  -0.187
  105   1HD   LYS  41          2HD       LYS  41  -7.776  12.833  -0.558
  106   2HD   LYS  41          3HD       LYS  41  -8.621  14.331  -0.220
  107   1HE   LYS  41          2HE       LYS  41  -7.158  15.314  -2.193
  108   2HE   LYS  41          3HE       LYS  41  -6.909  13.634  -2.628
  109   1HZ   LYS  41          1HZ       LYS  41  -9.351  15.183  -2.674
  110   2HZ   LYS  41          2HZ       LYS  41  -8.808  14.066  -3.734
  111   3HZ   LYS  41          3HZ       LYS  41  -9.487  13.594  -2.326
  112    H    ARG  42           HN       ARG  42  -7.085  11.057   0.311
  113    HA   ARG  42           HA       ARG  42  -9.177  11.974   1.816
  114   1HB   ARG  42          2HB       ARG  42  -9.086  10.381  -0.285
  115   2HB   ARG  42          3HB       ARG  42  -8.984   9.082   0.887
  116   1HG   ARG  42          2HG       ARG  42 -11.181   9.293   1.510
  117   2HG   ARG  42          3HG       ARG  42 -11.117  11.044   1.511
  118   1HD   ARG  42          2HD       ARG  42 -11.473  11.167  -0.872
  119   2HD   ARG  42          3HD       ARG  42 -11.122   9.465  -1.095
  120    HE   ARG  42           HE       ARG  42 -13.390   9.946   0.697
  121   1HH1  ARG  42          2HH2      ARG  42 -12.403   9.551  -2.657
  122   2HH1  ARG  42          1HH2      ARG  42 -13.974   9.058  -3.195
  123   1HH2  ARG  42          2HH1      ARG  42 -15.463   9.295  -0.011
  124   2HH2  ARG  42          1HH1      ARG  42 -15.726   8.912  -1.679
  125    H    ASP  43           HN       ASP  43  -6.627   9.606   2.540
  126    HA   ASP  43           HA       ASP  43  -8.012   8.470   4.733
  127   1HB   ASP  43          2HB       ASP  43  -5.008   8.437   4.213
  128   2HB   ASP  43          3HB       ASP  43  -5.926   7.277   5.151
  129    H    CYS  44           HN       CYS  44  -6.078  11.317   4.089
  130    HA   CYS  44           HA       CYS  44  -5.091  11.631   6.745
  131   1HB   CYS  44          2HB       CYS  44  -4.116  12.555   4.506
  132   2HB   CYS  44          3HB       CYS  44  -5.267  13.859   4.722
  133    H    LYS  45           HN       LYS  45  -6.628  11.908   8.352
  134    HA   LYS  45           HA       LYS  45  -8.181  12.941   9.546
  135   1HB   LYS  45          2HB       LYS  45  -7.193  15.009   8.157
  136   2HB   LYS  45          3HB       LYS  45  -8.812  15.011   7.490
  137   1HG   LYS  45          2HG       LYS  45  -8.680  14.690  10.456
  138   2HG   LYS  45          3HG       LYS  45  -8.106  16.233   9.857
  139   1HD   LYS  45          2HD       LYS  45 -10.215  16.683   8.733
  140   2HD   LYS  45          3HD       LYS  45 -10.777  15.043   8.994
  141   1HE   LYS  45          2HE       LYS  45 -11.824  15.909  10.834
  142   2HE   LYS  45          3HE       LYS  45 -10.246  15.811  11.589
  143   1HZ   LYS  45          1HZ       LYS  45  -9.977  18.012  11.450
  144   2HZ   LYS  45          2HZ       LYS  45 -10.715  18.162  10.001
  145   3HZ   LYS  45          3HZ       LYS  45 -11.607  18.048  11.363
  146    H    GLU  46           HN       GLU  46  -9.004  10.689   8.609
  147    HA   GLU  46           HA       GLU  46 -11.467  11.262   7.159
  148   1HB   GLU  46          2HB       GLU  46 -10.020   9.751   5.909
  149   2HB   GLU  46          3HB       GLU  46  -9.793   8.721   7.309
  150   1HG   GLU  46          2HG       GLU  46 -12.390   8.429   7.284
  151   2HG   GLU  46          3HG       GLU  46 -12.327   9.115   5.672
  152    H    GLU  47           HN       GLU  47 -10.094   8.921   9.591
  153    HA   GLU  47           HA       GLU  47 -12.643   8.303  10.587
  154   1HB   GLU  47          2HB       GLU  47 -11.430   7.030  12.295
  155   2HB   GLU  47          3HB       GLU  47 -10.691   6.767  10.728
  156   1HG   GLU  47          2HG       GLU  47  -9.376   9.053  11.785
  157   2HG   GLU  47          3HG       GLU  47  -9.530   7.953  13.140
  Start of MODEL   20
    1    H    LYS  27           HN       LYS  27   0.634   0.410   1.228
    2    HA   LYS  27           HA       LYS  27   0.994   0.774  -1.603
    3   1HB   LYS  27          2HB       LYS  27   3.337   0.949  -1.072
    4   2HB   LYS  27          3HB       LYS  27   2.418   1.917   0.064
    5   1HG   LYS  27          2HG       LYS  27   2.460  -0.247   1.576
    6   2HG   LYS  27          3HG       LYS  27   3.774  -0.757   0.535
    7   1HD   LYS  27          2HD       LYS  27   5.234   0.630   1.583
    8   2HD   LYS  27          3HD       LYS  27   4.194   2.015   1.313
    9   1HE   LYS  27          2HE       LYS  27   2.780   1.182   3.309
   10   2HE   LYS  27          3HE       LYS  27   4.073   0.047   3.639
   11   1HZ   LYS  27          1HZ       LYS  27   4.827   1.769   4.824
   12   2HZ   LYS  27          2HZ       LYS  27   5.447   2.275   3.401
   13   3HZ   LYS  27          3HZ       LYS  27   4.045   2.905   3.950
   14    H    GLY  28           HN       GLY  28   1.411  -1.819   0.866
   15   1HA   GLY  28          1HA       GLY  28   1.206  -3.803  -1.252
   16   2HA   GLY  28          2HA       GLY  28   2.728  -3.767  -0.384
   17    HA   PRO  29           HA       PRO  29  -0.613  -4.892   2.790
   18   1HB   PRO  29          2HB       PRO  29  -3.216  -5.157   2.004
   19   2HB   PRO  29          3HB       PRO  29  -2.575  -3.689   2.715
   20   1HG   PRO  29          2HG       PRO  29  -3.246  -4.239  -0.111
   21   2HG   PRO  29          3HG       PRO  29  -3.017  -2.693   0.683
   22   1HD   PRO  29          2HD       PRO  29  -1.160  -4.023  -1.052
   23   2HD   PRO  29          3HD       PRO  29  -0.886  -2.535  -0.166
   24    H    VAL  30           HN       VAL  30  -0.395  -6.907   3.531
   25    HA   VAL  30           HA       VAL  30  -0.571  -8.954   1.461
   26    HB   VAL  30           HB       VAL  30   1.484  -8.767   2.766
   27   1HG1  VAL  30          1HG1      VAL  30   0.878  -9.830   5.270
   28   2HG1  VAL  30          2HG1      VAL  30   1.327  -8.145   4.911
   29   3HG1  VAL  30          3HG1      VAL  30  -0.389  -8.609   4.999
   30   1HG2  VAL  30          1HG2      VAL  30   1.145 -11.239   3.876
   31   2HG2  VAL  30          2HG2      VAL  30  -0.212 -11.188   2.726
   32   3HG2  VAL  30          3HG2      VAL  30   1.453 -10.939   2.149
   33    H    CYS  31           HN       CYS  31  -2.089 -10.593   1.485
   34    HA   CYS  31           HA       CYS  31  -4.251 -10.197   3.371
   35   1HB   CYS  31          2HB       CYS  31  -4.757 -10.367   0.952
   36   2HB   CYS  31          3HB       CYS  31  -4.093 -11.989   0.924
   37    H    PHE  32           HN       PHE  32  -4.174 -11.345   5.270
   38    HA   PHE  32           HA       PHE  32  -2.472 -13.665   5.424
   39   1HB   PHE  32          2HB       PHE  32  -2.933 -11.670   7.133
   40   2HB   PHE  32          3HB       PHE  32  -4.402 -12.544   7.521
   41    HD1  PHE  32           HD1      PHE  32  -0.810 -13.468   7.011
   42    HD2  PHE  32           HD2      PHE  32  -4.258 -13.744   9.471
   43    HE1  PHE  32           HE1      PHE  32   0.466 -14.888   8.641
   44    HE2  PHE  32           HE2      PHE  32  -2.983 -15.164  11.100
   45    HZ   PHE  32           HZ       PHE  32  -0.636 -15.719  10.666
   46    H    SER  33           HN       SER  33  -5.262 -13.450   3.930
   47    HA   SER  33           HA       SER  33  -6.473 -15.703   5.327
   48   1HB   SER  33          2HB       SER  33  -7.583 -13.300   4.252
   49   2HB   SER  33          3HB       SER  33  -8.147 -14.601   3.223
   50    HG   SER  33           HG       SER  33  -9.534 -14.169   5.106
   51    H    CYS  34           HN       CYS  34  -5.476 -14.385   2.115
   52    HA   CYS  34           HA       CYS  34  -5.728 -17.094   1.040
   53   1HB   CYS  34          2HB       CYS  34  -5.662 -15.991  -1.197
   54   2HB   CYS  34          3HB       CYS  34  -7.052 -15.543  -0.227
   55    H    GLY  35           HN       GLY  35  -3.601 -14.312   1.718
   56   1HA   GLY  35          1HA       GLY  35  -1.327 -14.493   2.123
   57   2HA   GLY  35          2HA       GLY  35  -1.272 -16.014   1.255
   58    H    LYS  36           HN       LYS  36  -3.006 -13.225  -0.108
   59    HA   LYS  36           HA       LYS  36  -0.954 -13.108  -2.191
   60   1HB   LYS  36          2HB       LYS  36  -3.519 -13.625  -2.564
   61   2HB   LYS  36          3HB       LYS  36  -3.677 -11.883  -2.469
   62   1HG   LYS  36          2HG       LYS  36  -1.399 -12.466  -4.143
   63   2HG   LYS  36          3HG       LYS  36  -2.728 -13.473  -4.682
   64   1HD   LYS  36          2HD       LYS  36  -3.984 -11.018  -4.256
   65   2HD   LYS  36          3HD       LYS  36  -2.409 -10.531  -4.848
   66   1HE   LYS  36          2HE       LYS  36  -2.889 -11.211  -6.967
   67   2HE   LYS  36          3HE       LYS  36  -3.444 -12.779  -6.417
   68   1HZ   LYS  36          1HZ       LYS  36  -5.331 -11.832  -7.241
   69   2HZ   LYS  36          2HZ       LYS  36  -5.485 -11.450  -5.660
   70   3HZ   LYS  36          3HZ       LYS  36  -4.974 -10.324  -6.727
   71    H    THR  37           HN       THR  37  -1.251 -10.647  -3.273
   72    HA   THR  37           HA       THR  37  -0.868  -8.806  -1.007
   73    HB   THR  37           HB       THR  37   1.118  -7.964  -2.059
   74    HG1  THR  37           HG1      THR  37   0.230  -9.635  -4.306
   75   1HG2  THR  37          1HG2      THR  37   1.488 -10.321  -1.184
   76   2HG2  THR  37          2HG2      THR  37   1.095 -10.934  -2.809
   77   3HG2  THR  37          3HG2      THR  37   2.534  -9.916  -2.566
   78    H    GLY  38           HN       GLY  38  -1.557  -6.664  -1.280
   79   1HA   GLY  38          1HA       GLY  38  -2.344  -4.959  -2.803
   80   2HA   GLY  38          2HA       GLY  38  -3.168  -6.205  -3.717
   81    H    HIS  39           HN       HIS  39  -3.299  -6.931  -0.370
   82    HA   HIS  39           HA       HIS  39  -5.319  -5.236   0.493
   83   1HB   HIS  39          2HB       HIS  39  -7.310  -6.551   0.263
   84   2HB   HIS  39          3HB       HIS  39  -6.623  -6.285  -1.327
   85    HD1  HIS  39           HD1      HIS  39  -5.268  -8.394  -2.384
   86    HD2  HIS  39           HD2      HIS  39  -7.693  -9.201   0.942
   87    HE1  HIS  39           HE1      HIS  39  -5.612 -10.923  -2.346
   88    H    ILE  40           HN       ILE  40  -6.135  -5.889   2.636
   89    HA   ILE  40           HA       ILE  40  -4.269  -7.776   3.860
   90    HB   ILE  40           HB       ILE  40  -5.980  -5.575   5.018
   91   1HG1  ILE  40          2HG1      ILE  40  -3.284  -5.125   5.591
   92   2HG1  ILE  40          3HG1      ILE  40  -3.276  -5.681   3.929
   93   1HG2  ILE  40          1HG2      ILE  40  -5.920  -7.192   6.714
   94   2HG2  ILE  40          2HG2      ILE  40  -4.238  -7.649   6.347
   95   3HG2  ILE  40          3HG2      ILE  40  -4.588  -6.077   7.106
   96   1HD1  ILE  40          1HD1      ILE  40  -4.616  -3.903   3.172
   97   2HD1  ILE  40          2HD1      ILE  40  -5.322  -3.621   4.782
   98   3HD1  ILE  40          3HD1      ILE  40  -3.648  -3.119   4.444
   99    H    LYS  41           HN       LYS  41  -5.154  -9.205   5.621
  100    HA   LYS  41           HA       LYS  41  -7.085 -10.874   4.654
  101   1HB   LYS  41          2HB       LYS  41  -5.813 -11.837   6.293
  102   2HB   LYS  41          3HB       LYS  41  -5.812 -10.409   7.307
  103   1HG   LYS  41          2HG       LYS  41  -8.063 -10.830   8.081
  104   2HG   LYS  41          3HG       LYS  41  -8.346 -12.031   6.837
  105   1HD   LYS  41          2HD       LYS  41  -7.851 -13.468   8.581
  106   2HD   LYS  41          3HD       LYS  41  -6.220 -13.215   7.992
  107   1HE   LYS  41          2HE       LYS  41  -5.680 -12.473  10.070
  108   2HE   LYS  41          3HE       LYS  41  -6.633 -11.041   9.733
  109   1HZ   LYS  41          1HZ       LYS  41  -7.250 -13.252  11.406
  110   2HZ   LYS  41          2HZ       LYS  41  -7.866 -11.740  11.415
  111   3HZ   LYS  41          3HZ       LYS  41  -8.484 -12.866  10.407
  112    H    ARG  42           HN       ARG  42  -7.491  -8.243   7.122
  113    HA   ARG  42           HA       ARG  42 -10.181  -8.624   7.460
  114   1HB   ARG  42          2HB       ARG  42 -10.185  -6.443   8.516
  115   2HB   ARG  42          3HB       ARG  42  -8.615  -7.150   8.841
  116   1HG   ARG  42          2HG       ARG  42  -7.837  -5.904   6.664
  117   2HG   ARG  42          3HG       ARG  42  -9.315  -4.977   6.834
  118   1HD   ARG  42          2HD       ARG  42  -7.791  -5.210   9.369
  119   2HD   ARG  42          3HD       ARG  42  -6.892  -4.404   8.098
  120    HE   ARG  42           HE       ARG  42  -9.339  -3.426   9.408
  121   1HH1  ARG  42          2HH2      ARG  42  -7.189  -3.114   6.639
  122   2HH1  ARG  42          1HH2      ARG  42  -7.694  -1.501   6.267
  123   1HH2  ARG  42          2HH1      ARG  42 -10.005  -1.296   8.917
  124   2HH2  ARG  42          1HH1      ARG  42  -9.306  -0.459   7.571
  125    H    ASP  43           HN       ASP  43  -8.336  -6.981   4.903
  126    HA   ASP  43           HA       ASP  43 -10.574  -5.566   3.903
  127   1HB   ASP  43          2HB       ASP  43  -8.021  -6.280   2.402
  128   2HB   ASP  43          3HB       ASP  43  -9.091  -4.931   2.082
  129    H    CYS  44           HN       CYS  44  -9.339  -8.814   3.747
  130    HA   CYS  44           HA       CYS  44 -10.386  -9.394   1.141
  131   1HB   CYS  44          2HB       CYS  44  -8.340 -10.486   2.330
  132   2HB   CYS  44          3HB       CYS  44  -9.531 -11.471   3.154
  133    H    LYS  45           HN       LYS  45 -12.627  -8.629   1.583
  134    HA   LYS  45           HA       LYS  45 -14.307 -10.752   2.338
  135   1HB   LYS  45          2HB       LYS  45 -15.349  -9.782   4.332
  136   2HB   LYS  45          3HB       LYS  45 -13.665 -10.180   4.611
  137   1HG   LYS  45          2HG       LYS  45 -13.039  -7.786   4.189
  138   2HG   LYS  45          3HG       LYS  45 -14.730  -7.395   3.941
  139   1HD   LYS  45          2HD       LYS  45 -14.039  -8.823   6.494
  140   2HD   LYS  45          3HD       LYS  45 -13.503  -7.161   6.355
  141   1HE   LYS  45          2HE       LYS  45 -16.346  -7.760   5.561
  142   2HE   LYS  45          3HE       LYS  45 -15.964  -7.809   7.271
  143   1HZ   LYS  45          1HZ       LYS  45 -16.416  -5.585   5.763
  144   2HZ   LYS  45          2HZ       LYS  45 -15.872  -5.622   7.302
  145   3HZ   LYS  45          3HZ       LYS  45 -14.811  -5.547   6.064
  146    H    GLU  46           HN       GLU  46 -14.212  -9.583  -0.029
  147    HA   GLU  46           HA       GLU  46 -16.730  -8.288  -0.147
  148   1HB   GLU  46          2HB       GLU  46 -15.823  -6.268  -1.418
  149   2HB   GLU  46          3HB       GLU  46 -15.529  -6.269   0.309
  150   1HG   GLU  46          2HG       GLU  46 -13.229  -7.197  -0.096
  151   2HG   GLU  46          3HG       GLU  46 -13.525  -7.154  -1.822
  152    H    GLU  47           HN       GLU  47 -13.635  -9.147  -1.795
  153    HA   GLU  47           HA       GLU  47 -13.208 -10.105  -3.694
  154   1HB   GLU  47          2HB       GLU  47 -14.806 -11.840  -2.822
  155   2HB   GLU  47          3HB       GLU  47 -16.110 -11.046  -3.683
  156   1HG   GLU  47          2HG       GLU  47 -15.361 -11.751  -5.768
  157   2HG   GLU  47          3HG       GLU  47 -13.673 -11.712  -5.301