*HEADER    ANTIMICROBIAL PROTEIN                   05-JAN-18   5Z32              
*TITLE     LPS BOUND SOLUTION NMR STRUCTURE OF WS2-VR18                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-   
*COMPND   3 ASN-LYS-SER-ARG;                                                     
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    DE NOVO DESIGNED PEPTIDE, QUANTUM DOT CONJUGATE, LPS BOUND STRUCTURE, 
*KEYWDS   2 ANTIMICROBIAL ACTIVITY, ANTIMICROBIAL PROTEIN                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.BHUNIA,S.A.MOHID                                                    
*REVDAT   1   06-FEB-19 5Z32    0                                                
# Restraints file 1: WS2_VR18.aco
# Torsion angle constraints 
# generated from HA secondary chemical shifts			
   

   2 ALA  PHI  -120   -30
   2 ALA  PSI  -120   120
   3 ARG  PHI  -120   -30
   3 ARG  PSI  -120   120
   4 GLY  PHI  -120   -30
   4 GLY  PSI  -120   120
   5 TRP  PHI  -120   -30
   5 TRP  PSI  -120   120
   6 GLY  PHI  -120   -30
   6 GLY  PSI  -120   120
   7 ARG  PHI  -120   -30
   7 ARG  PSI  -120   120
   8 LYS  PHI  -120   -30
   8 LYS  PSI  -120   120
   9 CYS  PHI  -120   -30
   9 CYS  PSI  -120   120
  11 LEU  PHI  -120   -30
  11 LEU  PSI  -120   120
  12 PHE  PHI  -120   -30
  12 PHE  PSI  -120   120
  13 GLY  PHI  -120   -30
  13 GLY  PSI  -120   120
  14 LYS  PHI  -120   -30
  14 LYS  PSI  -120   120
  15 ASN  PHI  -120   -30
  15 ASN  PSI  -120   120
  16 LYS  PHI  -120   -30
  16 LYS  PSI  -120   120
  17 SER  PHI  -120   -30
  17 SER  PSI  -120   120
# Restraints file 2: WS2_VR18.seq
VAL
ALA
ARG
GLY
TRP
GLY
ARG
LYS
CYS
PRO
LEU
PHE
GLY
LYS
ASN
LYS
SER
ARG
# Restraints file 3: WS2_VR18.upl
1 VAL HA	2 ALA H		3.3	2.0
2 ALA QB	2 ALA H		3.5	2.0
2 ALA HA	3 ARG H		4.0	2.0
2 ALA QB	3 ARG H		4.5	2.0
2 ALA QB	4 GLY H		4.5	2.0
3 ARG QB	3 ARG H		3.6	2.0
3 ARG QG	3 ARG H		3.9	2.0
3 ARG QD	3 ARG H		4.2	2.0
3 ARG HA	4 GLY H		3.6	2.0
3 ARG QB	4 GLY H		3.8	2.0
3 ARG QG	4 GLY H		4.2	2.0
3 ARG QD	4 GLY H		4.5	2.0
4 GLY QA	5 TRP H		4.0	2.0	
5 TRP HB2	5 TRP H		3.5	2.0
5 TRP HB3	5 TRP H		3.5	2.0
5 TRP HA	6 GLY H		3.8	2.0
5 TRP HB2	6 GLY H		3.9	2.0
5 TRP HB3	6 GLY H		4.0	2.0
5 TRP HA	8 LYS H		5.0	2.0
6 GLY QA	7 ARG H		3.5	2.0
6 GLY QA	8 LYS H		4.8	2.0
7 ARG HB2	7 ARG H		3.5	2.0
7 ARG HB3	7 ARG H		3.6	2.0
7 ARG QG	7 ARG H		3.9	2.0
7 ARG HA	8 LYS H		3.6	2.0
7 ARG QB	8 LYS H		3.8	2.0
7 ARG QG	8 LYS H		4.2	2.0
8 LYS HB2	8 LYS H		3.5	2.0
8 LYS HB3	8 LYS H		3.5	2.0
8 LYS QG	8 LYS H		3.8	2.0
8 LYS HA	9 CYS H		3.6	2.0
8 LYS HB2	9 CYS H		3.8	2.0
8 LYS HB3	9 CYS H		3.9	2.0
8 LYS QG	9 CYS H		4.2	2.0
9 CYS QB	9 CYS H		3.5	2.0
9 CYS HA	11 LEU H	4.8	2.0
10 PRO HA	11 LEU H	3.6	2.0
10 PRO HB2	11 LEU H	3.7	2.0
10 PRO HB3	11 LEU H	3.8	2.0
10 PRO QD	11 LEU H	4.2	2.0
11 LEU QB	11 LEU H	3.5	2.0
11 LEU HG	11 LEU H	3.8	2.0
11 LEU QQD	11 LEU H	4.2	2.0
11 LEU HA	12 PHE H	3.3	2.0
11 LEU QB	12 PHE H	3.6	2.0
11 LEU HG	12 PHE H	4.1	2.0
11 LEU QQD	12 PHE H	4.5	2.0
12 PHE HB2	12 PHE H	3.6	2.0
12 PHE HB3	12 PHE H	3.7	2.0
12 PHE HA	13 GLY H	3.6	2.0
12 PHE HB2	13 GLY H	3.7	2.0
12 PHE HB3	13 GLY H	3.8	2.0
12 PHE HA	14 LYS H	4.5	2.0
13 GLY QA	14 LYS H	3.6	2.0
13 GLY QA	15 ASN H	4.5	2.0
14 LYS HB2	14 LYS H	3.6	2.0
14 LYS HB3	14 LYS H	3.7	2.0
14 LYS QG	14 LYS H	4.0	2.0
14 LYS HA	15 ASN H	3.5	2.0
14 LYS HB2	15 ASN H	3.7	2.0
15 ASN HB2	15 ASN H	3.6	2.0
15 ASN HB3	15 ASN H	3.7	2.0
15 ASN HA	16 LYS H	3.6 	2.0
15 ASN HB2	16 LYS H	3.7	2.0
15 ASN HB3	16 LYS H	3.8	2.0
16 LYS HB2	16 LYS H	3.6	2.0
16 LYS HB3	16 LYS H	3.7	2.0
16 LYS QG	16 LYS H	4.0	2.0
16 LYS HA	17 SER H	3.6	2.0
16 LYS HB2	17 SER H	3.7	2.0
16 LYS HB3	17 SER H	3.8	2.0
16 LYS QG	17 SER H	4.0	2.0
17 SER QB	17 SER H	3.6	2.0
17 SER HA	18 ARG H	3.6	2.0
17 SER QB	18 ARG H	3.7	2.0
18 ARG HB2	18 ARG H	3.6	2.0
18 ARG HB3 	18 ARG H	3.7	2.0
18 ARG QG	18 ARG H	4.0	2.0
2 ALA H		3 ARG H		3.5	2.0
2 ALA H		4 GLY H		3.5	2.0
4 GLY H		5 TRP H 	3.5	2.0
5 TRP H 	6 GLY H		3.5	2.0
6 GLY H		7 ARG H		3.5	2.0
7 ARG H		8 LYS H		3.5	2.0
8 LYS H		9 CYS H		3.5	2.0
12 PHE H	13 GLY H	3.5	2.0
13 GLY H	14 LYS H 	3.5	2.0
14 LYS H	15 ASN H	3.5	2.0
15 ASN H	16 LYS H	3.5	2.0
16 LYS H	17 SER H	3.5	2.0
17 SER H	18 ARG H	3.5	2.0
2 ALA QB	5 TRP HE3	5.0	2.0
14 LYS QB	5 TRP HE3	5.0	2.0
15 ASN QB	5 TRP HE3	5.0	2.0
5 TRP HB3	5 TRP HE3	4.3	2.0
5 TRP HB2	5 TRP HE3	4.0	2.0
6 GLY QA	5 TRP HE3	5.0	2.0
5 TRP HA	5 TRP HE3	4.0	2.0
13 GLY QA	5 TRP HE3	5.0	2.0
11 LEU QQD	12 PHE QE	4.5	2.0
12 PHE HB3	12 PHE QE	4.0	2.0
12 PHE HB2	12 PHE QE	4.3	2.0
17 SER QB	12 PHE QE	5.0	2.0
12 PHE HA	12 PHE QE	4.0	2.0
12 PHE HB3	5 TRP HH2	5.0	2.0
12 PHE HB2	5 TRP HH2	5.2	2.0
12 PHE HA	5 TRP HH2	5.0	2.0
11 LEU QQD	12 PHE HZ	4.5	2.0
13 GLY QA	5 TRP HH2	5.0	2.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           H        VAL   1   1.292   1.509  -0.604
    2    HA   VAL   1           HA       VAL   1   3.604   0.099   0.402
    3    HB   VAL   1           HB       VAL   1   2.000  -0.956  -1.181
    4   HG11  VAL   1          1HG1      VAL   1   1.845  -0.333  -3.436
    5   HG12  VAL   1          2HG1      VAL   1   1.775   1.191  -2.549
    6   HG13  VAL   1          3HG1      VAL   1   3.273   0.697  -3.340
    7   HG21  VAL   1          1HG2      VAL   1   4.848  -0.743  -2.154
    8   HG22  VAL   1          2HG2      VAL   1   4.248  -1.851  -0.920
    9   HG23  VAL   1          3HG2      VAL   1   3.708  -2.016  -2.590
   10    H    ALA   2           H        ALA   2   5.722   0.417  -0.153
   11    HA   ALA   2           HA       ALA   2   6.315   2.841  -1.724
   12    HB1  ALA   2          1HB       ALA   2   7.529   3.656  -0.055
   13    HB2  ALA   2          2HB       ALA   2   6.924   2.345   0.958
   14    HB3  ALA   2          3HB       ALA   2   8.443   2.153   0.083
   15    H    ARG   3           H        ARG   3   7.281  -0.439  -0.904
   16    HA   ARG   3           HA       ARG   3   9.650  -0.645  -2.326
   17    HB2  ARG   3          2HB       ARG   3   9.196  -3.056  -2.442
   18    HB3  ARG   3          3HB       ARG   3   8.846  -2.408  -0.846
   19    HG2  ARG   3          2HG       ARG   3   6.499  -2.477  -1.249
   20    HG3  ARG   3          3HG       ARG   3   6.749  -2.869  -2.951
   21    HD2  ARG   3          2HD       ARG   3   7.411  -5.041  -2.487
   22    HD3  ARG   3          3HD       ARG   3   7.848  -4.657  -0.822
   23    HE   ARG   3           HE       ARG   3   5.710  -5.152  -0.209
   24   HH11  ARG   3          1HH1      ARG   3   5.755  -4.466  -3.622
   25   HH12  ARG   3          2HH1      ARG   3   4.090  -4.883  -3.860
   26   HH21  ARG   3          1HH2      ARG   3   3.517  -5.703  -0.509
   27   HH22  ARG   3          2HH2      ARG   3   2.818  -5.585  -2.088
   28    H    GLY   4           H        GLY   4   6.378  -0.485  -3.477
   29    HA2  GLY   4          2HA       GLY   4   7.370  -0.913  -6.229
   30    HA3  GLY   4          3HA       GLY   4   5.758  -1.378  -5.705
   31    H    TRP   5           H        TRP   5   6.565   1.483  -4.221
   32    HA   TRP   5           HA       TRP   5   5.271   3.056  -6.351
   33    HB2  TRP   5          2HB       TRP   5   4.088   2.531  -4.011
   34    HB3  TRP   5          3HB       TRP   5   5.031   3.934  -3.519
   35    HD1  TRP   5           HD1      TRP   5   2.021   2.934  -5.604
   36    HE1  TRP   5           HE1      TRP   5   0.792   5.059  -6.379
   37    HE3  TRP   5           HE3      TRP   5   5.453   6.434  -4.150
   38    HZ2  TRP   5           HZ2      TRP   5   1.220   7.849  -6.375
   39    HZ3  TRP   5           HZ3      TRP   5   4.967   8.809  -4.573
   40    HH2  TRP   5           HH2      TRP   5   2.894   9.499  -5.663
   41    H    GLY   6           H        GLY   6   7.152   3.565  -3.354
   42    HA2  GLY   6          2HA       GLY   6   8.201   6.055  -4.059
   43    HA3  GLY   6          3HA       GLY   6   8.929   4.946  -2.906
   44    H    ARG   7           H        ARG   7   9.209   2.848  -4.987
   45    HA   ARG   7           HA       ARG   7  11.836   3.412  -5.787
   46    HB2  ARG   7          2HB       ARG   7  11.507   1.419  -7.325
   47    HB3  ARG   7          3HB       ARG   7  11.215   1.135  -5.614
   48    HG2  ARG   7          2HG       ARG   7   9.012   0.748  -5.913
   49    HG3  ARG   7          3HG       ARG   7   8.872   1.918  -7.227
   50    HD2  ARG   7          2HD       ARG   7   8.522  -0.321  -8.075
   51    HD3  ARG   7          3HD       ARG   7  10.021   0.341  -8.725
   52    HE   ARG   7           HE       ARG   7  10.758  -1.059  -6.482
   53   HH11  ARG   7          1HH1      ARG   7   9.107  -1.783  -9.461
   54   HH12  ARG   7          2HH1      ARG   7   9.649  -3.428  -9.513
   55   HH21  ARG   7          1HH2      ARG   7  11.478  -3.223  -6.540
   56   HH22  ARG   7          2HH2      ARG   7  10.997  -4.246  -7.851
   57    H    LYS   8           H        LYS   8   8.757   3.865  -7.404
   58    HA   LYS   8           HA       LYS   8  10.073   4.719  -9.863
   59    HB2  LYS   8          2HB       LYS   8   7.277   4.033  -9.083
   60    HB3  LYS   8          3HB       LYS   8   7.515   5.123 -10.443
   61    HG2  LYS   8          2HG       LYS   8   9.134   2.662 -10.472
   62    HG3  LYS   8          3HG       LYS   8   7.392   2.451 -10.668
   63    HD2  LYS   8          2HD       LYS   8   7.918   4.563 -12.331
   64    HD3  LYS   8          3HD       LYS   8   9.371   3.576 -12.505
   65    HE2  LYS   8          2HE       LYS   8   8.055   1.658 -13.117
   66    HE3  LYS   8          3HE       LYS   8   6.558   2.526 -12.779
   67    HZ1  LYS   8          1HZ       LYS   8   6.887   2.541 -15.111
   68    HZ2  LYS   8          2HZ       LYS   8   8.490   3.058 -14.964
   69    HZ3  LYS   8          3HZ       LYS   8   7.224   4.107 -14.568
   70    H    CYS   9           H        CYS   9   7.716   6.033  -7.535
   71    HA   CYS   9           HA       CYS   9   8.541   8.735  -8.368
   72    HB2  CYS   9          2HB       CYS   9   5.919   7.563  -7.645
   73    HB3  CYS   9          3HB       CYS   9   6.234   9.182  -7.030
   74    HG   CYS   9           HG       CYS   9   6.479  10.404  -9.447
   75    HA   PRO  10           HA       PRO  10  10.111   8.153  -4.053
   76    HB2  PRO  10          2HB       PRO  10  12.477   9.405  -4.505
   77    HB3  PRO  10          3HB       PRO  10  12.222   7.686  -4.830
   78    HG2  PRO  10          2HG       PRO  10  12.176  10.000  -6.729
   79    HG3  PRO  10          3HG       PRO  10  12.910   8.398  -6.934
   80    HD2  PRO  10          2HD       PRO  10  10.523   9.057  -8.029
   81    HD3  PRO  10          3HD       PRO  10  10.903   7.410  -7.487
   82    H    LEU  11           H        LEU  11  10.693  11.023  -6.097
   83    HA   LEU  11           HA       LEU  11  10.710  12.892  -4.008
   84    HB2  LEU  11          2HB       LEU  11  10.761  14.524  -5.634
   85    HB3  LEU  11          3HB       LEU  11  11.418  13.125  -6.481
   86    HG   LEU  11           HG       LEU  11   8.847  12.871  -7.176
   87   HD11  LEU  11          1HD1      LEU  11   9.044  15.815  -7.379
   88   HD12  LEU  11          2HD1      LEU  11   8.604  15.148  -5.807
   89   HD13  LEU  11          3HD1      LEU  11   7.626  14.777  -7.227
   90   HD21  LEU  11          1HD2      LEU  11  11.012  14.544  -8.420
   91   HD22  LEU  11          2HD2      LEU  11   9.473  14.238  -9.227
   92   HD23  LEU  11          3HD2      LEU  11  10.536  12.892  -8.813
   93    H    PHE  12           H        PHE  12   8.133  11.173  -5.439
   94    HA   PHE  12           HA       PHE  12   6.175  13.010  -4.227
   95    HB2  PHE  12          2HB       PHE  12   6.260  11.770  -6.810
   96    HB3  PHE  12          3HB       PHE  12   4.855  11.174  -5.934
   97    HD1  PHE  12           HD1      PHE  12   3.191  12.231  -7.249
   98    HD2  PHE  12           HD2      PHE  12   6.315  14.525  -5.491
   99    HE1  PHE  12           HE1      PHE  12   1.975  14.299  -7.795
  100    HE2  PHE  12           HE2      PHE  12   5.104  16.597  -6.033
  101    HZ   PHE  12           HZ       PHE  12   2.930  16.486  -7.185
  102    H    GLY  13           H        GLY  13   7.780  10.301  -3.528
  103    HA2  GLY  13          2HA       GLY  13   5.898   8.356  -2.870
  104    HA3  GLY  13          3HA       GLY  13   7.434   8.583  -2.047
  105    H    LYS  14           H        LYS  14   4.045   9.533  -2.097
  106    HA   LYS  14           HA       LYS  14   3.687  11.264  -0.112
  107    HB2  LYS  14          2HB       LYS  14   2.186   8.908  -1.003
  108    HB3  LYS  14          3HB       LYS  14   1.829   9.387   0.651
  109    HG2  LYS  14          2HG       LYS  14   1.752  11.781  -0.651
  110    HG3  LYS  14          3HG       LYS  14   1.125  10.674  -1.875
  111    HD2  LYS  14          2HD       LYS  14   0.109  10.788   0.961
  112    HD3  LYS  14          3HD       LYS  14  -0.614  11.683  -0.378
  113    HE2  LYS  14          2HE       LYS  14  -0.204   8.719  -0.547
  114    HE3  LYS  14          3HE       LYS  14  -1.610   9.391   0.278
  115    HZ1  LYS  14          1HZ       LYS  14  -1.752   8.811  -2.221
  116    HZ2  LYS  14          2HZ       LYS  14  -0.952  10.284  -2.448
  117    HZ3  LYS  14          3HZ       LYS  14  -2.452  10.248  -1.667
  118    H    ASN  15           H        ASN  15   4.474   7.848   0.418
  119    HA   ASN  15           HA       ASN  15   4.276   7.495   3.067
  120    HB2  ASN  15          2HB       ASN  15   5.795   6.316   1.023
  121    HB3  ASN  15          3HB       ASN  15   6.943   6.674   2.309
  122   HD21  ASN  15          1HD2      ASN  15   3.613   5.467   2.039
  123   HD22  ASN  15          2HD2      ASN  15   3.825   4.148   3.134
  124    H    LYS  16           H        LYS  16   6.932   9.259   1.504
  125    HA   LYS  16           HA       LYS  16   7.658  10.347   4.144
  126    HB2  LYS  16          2HB       LYS  16   9.410   8.982   2.988
  127    HB3  LYS  16          3HB       LYS  16   9.413  10.168   1.690
  128    HG2  LYS  16          2HG       LYS  16  10.504  11.734   2.931
  129    HG3  LYS  16          3HG       LYS  16   9.844  11.144   4.458
  130    HD2  LYS  16          2HD       LYS  16  11.606   9.257   3.050
  131    HD3  LYS  16          3HD       LYS  16  12.393  10.730   3.621
  132    HE2  LYS  16          2HE       LYS  16  12.362  10.004   5.723
  133    HE3  LYS  16          3HE       LYS  16  10.632   9.678   5.639
  134    HZ1  LYS  16          1HZ       LYS  16  11.961   7.692   6.142
  135    HZ2  LYS  16          2HZ       LYS  16  12.744   7.841   4.650
  136    HZ3  LYS  16          3HZ       LYS  16  11.083   7.527   4.705
  137    H    SER  17           H        SER  17   7.446  11.166   0.690
  138    HA   SER  17           HA       SER  17   7.926  13.877   0.822
  139    HB2  SER  17          2HB       SER  17   5.786  12.736  -0.967
  140    HB3  SER  17          3HB       SER  17   6.901  14.061  -1.298
  141    HG   SER  17           HG       SER  17   8.496  12.653  -1.675
  142    H    ARG  18           H        ARG  18   4.964  12.122   1.547
  143    HA   ARG  18           HA       ARG  18   3.809  14.634   2.566
  144    HB2  ARG  18          2HB       ARG  18   2.789  13.028   0.518
  145    HB3  ARG  18          3HB       ARG  18   1.816  12.630   1.928
  146    HG2  ARG  18          2HG       ARG  18   1.396  15.066   2.240
  147    HG3  ARG  18          3HG       ARG  18   2.224  15.348   0.707
  148    HD2  ARG  18          2HD       ARG  18   0.558  14.317  -0.530
  149    HD3  ARG  18          3HD       ARG  18  -0.034  13.396   0.852
  150    HE   ARG  18           HE       ARG  18  -0.815  16.045   0.075
  151   HH11  ARG  18          1HH1      ARG  18  -0.536  13.821   2.738
  152   HH12  ARG  18          2HH1      ARG  18  -1.763  14.596   3.684
  153   HH21  ARG  18          1HH2      ARG  18  -2.434  17.074   1.310
  154   HH22  ARG  18          2HH2      ARG  18  -2.843  16.445   2.870
  Start of MODEL    2
    1    H1   VAL   1           H        VAL   1   1.807   0.001   0.856
    2    HA   VAL   1           HA       VAL   1   2.555  -0.973  -1.348
    3    HB   VAL   1           HB       VAL   1   1.809   0.479  -3.309
    4   HG11  VAL   1          1HG1      VAL   1  -0.629  -0.895  -2.471
    5   HG12  VAL   1          2HG1      VAL   1   0.418  -1.187  -3.860
    6   HG13  VAL   1          3HG1      VAL   1   0.832  -1.864  -2.285
    7   HG21  VAL   1          1HG2      VAL   1   0.652   2.023  -1.410
    8   HG22  VAL   1          2HG2      VAL   1   0.166   2.007  -3.105
    9   HG23  VAL   1          3HG2      VAL   1  -0.723   1.045  -1.924
   10    H    ALA   2           H        ALA   2   4.393  -0.156  -0.192
   11    HA   ALA   2           HA       ALA   2   5.159   2.568  -1.023
   12    HB1  ALA   2          1HB       ALA   2   4.923   1.611   1.572
   13    HB2  ALA   2          2HB       ALA   2   6.657   1.586   1.249
   14    HB3  ALA   2          3HB       ALA   2   5.746   3.084   1.060
   15    H    ARG   3           H        ARG   3   6.221  -0.748  -0.483
   16    HA   ARG   3           HA       ARG   3   8.911  -0.546  -1.062
   17    HB2  ARG   3          2HB       ARG   3   7.055  -2.782  -1.897
   18    HB3  ARG   3          3HB       ARG   3   8.804  -2.891  -1.754
   19    HG2  ARG   3          2HG       ARG   3   8.742  -3.100   0.484
   20    HG3  ARG   3          3HG       ARG   3   7.390  -1.979   0.659
   21    HD2  ARG   3          2HD       ARG   3   5.821  -3.669   0.017
   22    HD3  ARG   3          3HD       ARG   3   7.120  -4.779  -0.419
   23    HE   ARG   3           HE       ARG   3   7.228  -3.965   2.323
   24   HH11  ARG   3          1HH1      ARG   3   5.740  -6.173   0.081
   25   HH12  ARG   3          2HH1      ARG   3   5.394  -7.369   1.286
   26   HH21  ARG   3          1HH2      ARG   3   6.779  -5.532   3.919
   27   HH22  ARG   3          2HH2      ARG   3   5.985  -7.003   3.469
   28    H    GLY   4           H        GLY   4   6.176  -0.377  -3.219
   29    HA2  GLY   4          2HA       GLY   4   8.041  -0.159  -5.502
   30    HA3  GLY   4          3HA       GLY   4   6.392  -0.750  -5.638
   31    H    TRP   5           H        TRP   5   6.607   1.823  -3.478
   32    HA   TRP   5           HA       TRP   5   5.775   3.715  -5.579
   33    HB2  TRP   5          2HB       TRP   5   4.140   2.794  -3.647
   34    HB3  TRP   5          3HB       TRP   5   4.850   4.164  -2.797
   35    HD1  TRP   5           HD1      TRP   5   2.564   3.325  -5.742
   36    HE1  TRP   5           HE1      TRP   5   1.339   5.468  -6.472
   37    HE3  TRP   5           HE3      TRP   5   5.057   6.714  -2.838
   38    HZ2  TRP   5           HZ2      TRP   5   1.419   8.229  -5.893
   39    HZ3  TRP   5           HZ3      TRP   5   4.422   9.087  -2.986
   40    HH2  TRP   5           HH2      TRP   5   2.641   9.827  -4.483
   41    H    GLY   6           H        GLY   6   8.035   3.034  -3.180
   42    HA2  GLY   6          2HA       GLY   6   8.680   5.850  -2.694
   43    HA3  GLY   6          3HA       GLY   6   9.367   4.471  -1.848
   44    H    ARG   7           H        ARG   7   9.354   3.730  -5.066
   45    HA   ARG   7           HA       ARG   7  12.083   4.783  -5.431
   46    HB2  ARG   7          2HB       ARG   7  10.931   2.074  -5.994
   47    HB3  ARG   7          3HB       ARG   7  12.282   2.665  -6.952
   48    HG2  ARG   7          2HG       ARG   7  12.838   3.083  -4.181
   49    HG3  ARG   7          3HG       ARG   7  12.353   1.406  -4.443
   50    HD2  ARG   7          2HD       ARG   7  14.370   2.745  -6.214
   51    HD3  ARG   7          3HD       ARG   7  14.842   2.013  -4.681
   52    HE   ARG   7           HE       ARG   7  13.461   0.037  -5.902
   53   HH11  ARG   7          1HH1      ARG   7  16.104   2.072  -6.901
   54   HH12  ARG   7          2HH1      ARG   7  16.792   0.883  -7.956
   55   HH21  ARG   7          1HH2      ARG   7  14.358  -1.537  -7.288
   56   HH22  ARG   7          2HH2      ARG   7  15.798  -1.169  -8.176
   57    H    LYS   8           H        LYS   8   9.147   3.693  -7.101
   58    HA   LYS   8           HA       LYS   8   9.751   4.383  -9.693
   59    HB2  LYS   8          2HB       LYS   8   7.298   4.044  -8.124
   60    HB3  LYS   8          3HB       LYS   8   7.111   5.129  -9.496
   61    HG2  LYS   8          2HG       LYS   8   8.552   2.830 -10.352
   62    HG3  LYS   8          3HG       LYS   8   7.113   2.306  -9.475
   63    HD2  LYS   8          2HD       LYS   8   6.894   4.473 -11.523
   64    HD3  LYS   8          3HD       LYS   8   6.986   2.788 -12.040
   65    HE2  LYS   8          2HE       LYS   8   4.806   2.605 -11.657
   66    HE3  LYS   8          3HE       LYS   8   5.125   2.856  -9.942
   67    HZ1  LYS   8          1HZ       LYS   8   3.925   4.697 -10.128
   68    HZ2  LYS   8          2HZ       LYS   8   3.878   4.600 -11.816
   69    HZ3  LYS   8          3HZ       LYS   8   5.178   5.364 -11.048
   70    H    CYS   9           H        CYS   9   7.603   6.477  -7.793
   71    HA   CYS   9           HA       CYS   9   8.017   8.762  -9.320
   72    HB2  CYS   9          2HB       CYS   9   7.061   8.326  -6.506
   73    HB3  CYS   9          3HB       CYS   9   7.258   9.956  -7.137
   74    HG   CYS   9           HG       CYS   9   5.441   9.589  -9.243
   75    HA   PRO  10           HA       PRO  10  12.178   9.792  -8.123
   76    HB2  PRO  10          2HB       PRO  10  12.325  12.087  -9.566
   77    HB3  PRO  10          3HB       PRO  10  12.464  10.483 -10.296
   78    HG2  PRO  10          2HG       PRO  10  10.093  12.307 -10.166
   79    HG3  PRO  10          3HG       PRO  10  10.685  11.337 -11.527
   80    HD2  PRO  10          2HD       PRO  10   8.605  10.558  -9.979
   81    HD3  PRO  10          3HD       PRO  10   9.722   9.401 -10.729
   82    H    LEU  11           H        LEU  11   9.764  12.419  -8.294
   83    HA   LEU  11           HA       LEU  11  10.963  13.585  -5.877
   84    HB2  LEU  11          2HB       LEU  11  10.271  15.664  -6.568
   85    HB3  LEU  11          3HB       LEU  11  10.646  14.879  -8.101
   86    HG   LEU  11           HG       LEU  11   7.986  14.329  -7.830
   87   HD11  LEU  11          1HD1      LEU  11   6.808  16.132  -6.973
   88   HD12  LEU  11          2HD1      LEU  11   8.211  17.198  -7.012
   89   HD13  LEU  11          3HD1      LEU  11   8.109  15.919  -5.802
   90   HD21  LEU  11          1HD2      LEU  11   9.018  15.085  -9.861
   91   HD22  LEU  11          2HD2      LEU  11   9.335  16.673  -9.162
   92   HD23  LEU  11          3HD2      LEU  11   7.676  16.163  -9.478
   93    H    PHE  12           H        PHE  12   8.252  11.891  -7.015
   94    HA   PHE  12           HA       PHE  12   6.584  12.779  -4.771
   95    HB2  PHE  12          2HB       PHE  12   6.031  11.921  -7.471
   96    HB3  PHE  12          3HB       PHE  12   5.154  10.918  -6.320
   97    HD1  PHE  12           HD1      PHE  12   6.042  14.517  -6.085
   98    HD2  PHE  12           HD2      PHE  12   2.951  11.622  -6.508
   99    HE1  PHE  12           HE1      PHE  12   4.354  16.289  -5.835
  100    HE2  PHE  12           HE2      PHE  12   1.257  13.390  -6.260
  101    HZ   PHE  12           HZ       PHE  12   1.958  15.727  -5.924
  102    H    GLY  13           H        GLY  13   8.828  10.464  -5.431
  103    HA2  GLY  13          2HA       GLY  13   7.531   8.188  -4.232
  104    HA3  GLY  13          3HA       GLY  13   9.227   8.312  -4.673
  105    H    LYS  14           H        LYS  14   7.069  10.000  -2.388
  106    HA   LYS  14           HA       LYS  14   9.195  10.054  -0.414
  107    HB2  LYS  14          2HB       LYS  14   6.501  11.311  -0.685
  108    HB3  LYS  14          3HB       LYS  14   7.190  11.153   0.925
  109    HG2  LYS  14          2HG       LYS  14   9.207  12.195  -0.760
  110    HG3  LYS  14          3HG       LYS  14   7.728  13.110  -1.062
  111    HD2  LYS  14          2HD       LYS  14   7.588  13.129   1.562
  112    HD3  LYS  14          3HD       LYS  14   9.326  12.844   1.443
  113    HE2  LYS  14          2HE       LYS  14   8.064  15.027  -0.159
  114    HE3  LYS  14          3HE       LYS  14   8.397  15.281   1.553
  115    HZ1  LYS  14          1HZ       LYS  14  10.687  14.172   0.482
  116    HZ2  LYS  14          2HZ       LYS  14  10.463  15.774   0.974
  117    HZ3  LYS  14          3HZ       LYS  14  10.190  15.339  -0.638
  118    H    ASN  15           H        ASN  15   5.746   9.318   0.034
  119    HA   ASN  15           HA       ASN  15   6.544   6.928   1.562
  120    HB2  ASN  15          2HB       ASN  15   4.609   9.107   2.239
  121    HB3  ASN  15          3HB       ASN  15   4.286   7.473   2.814
  122   HD21  ASN  15          1HD2      ASN  15   4.547   8.144   4.953
  123   HD22  ASN  15          2HD2      ASN  15   6.109   8.453   5.624
  124    H    LYS  16           H        LYS  16   3.284   8.061   0.901
  125    HA   LYS  16           HA       LYS  16   2.891   5.739  -0.872
  126    HB2  LYS  16          2HB       LYS  16   0.948   6.897   1.136
  127    HB3  LYS  16          3HB       LYS  16   0.580   5.599   0.007
  128    HG2  LYS  16          2HG       LYS  16   2.663   4.466   1.147
  129    HG3  LYS  16          3HG       LYS  16   2.249   5.564   2.466
  130    HD2  LYS  16          2HD       LYS  16   1.110   3.520   2.884
  131    HD3  LYS  16          3HD       LYS  16  -0.102   4.675   2.324
  132    HE2  LYS  16          2HE       LYS  16   0.957   3.373   0.044
  133    HE3  LYS  16          3HE       LYS  16   0.588   2.129   1.238
  134    HZ1  LYS  16          1HZ       LYS  16  -1.604   2.474   1.040
  135    HZ2  LYS  16          2HZ       LYS  16  -1.206   3.176  -0.446
  136    HZ3  LYS  16          3HZ       LYS  16  -1.453   4.155   0.911
  137    H    SER  17           H        SER  17   1.875   9.029  -0.074
  138    HA   SER  17           HA       SER  17   0.876   9.303  -2.834
  139    HB2  SER  17          2HB       SER  17  -0.573  11.176  -1.810
  140    HB3  SER  17          3HB       SER  17  -1.052   9.508  -1.499
  141    HG   SER  17           HG       SER  17   0.005   9.674   0.528
  142    H    ARG  18           H        ARG  18   2.664  10.744  -0.190
  143    HA   ARG  18           HA       ARG  18   3.132  13.281  -1.254
  144    HB2  ARG  18          2HB       ARG  18   4.785  11.544   0.576
  145    HB3  ARG  18          3HB       ARG  18   5.250  13.187   0.155
  146    HG2  ARG  18          2HG       ARG  18   3.941  13.987   1.745
  147    HG3  ARG  18          3HG       ARG  18   2.538  13.209   1.010
  148    HD2  ARG  18          2HD       ARG  18   2.609  12.331   3.173
  149    HD3  ARG  18          3HD       ARG  18   3.345  11.078   2.175
  150    HE   ARG  18           HE       ARG  18   5.285  11.371   3.337
  151   HH11  ARG  18          1HH1      ARG  18   3.301  14.202   3.751
  152   HH12  ARG  18          2HH1      ARG  18   4.364  14.939   4.903
  153   HH21  ARG  18          1HH2      ARG  18   6.693  12.330   4.854
  154   HH22  ARG  18          2HH2      ARG  18   6.294  13.874   5.529
  Start of MODEL    3
    1    H1   VAL   1           H        VAL   1   1.499  -0.110   1.582
    2    HA   VAL   1           HA       VAL   1   2.278  -1.021  -0.546
    3    HB   VAL   1           HB       VAL   1   0.595   1.209  -1.699
    4   HG11  VAL   1          1HG1      VAL   1   2.431   1.038  -3.127
    5   HG12  VAL   1          2HG1      VAL   1   2.542  -0.712  -2.928
    6   HG13  VAL   1          3HG1      VAL   1   1.225  -0.012  -3.870
    7   HG21  VAL   1          1HG2      VAL   1  -0.959  -0.413  -1.214
    8   HG22  VAL   1          2HG2      VAL   1  -0.455  -0.911  -2.829
    9   HG23  VAL   1          3HG2      VAL   1   0.195  -1.732  -1.411
   10    H    ALA   2           H        ALA   2   4.188  -0.323   0.485
   11    HA   ALA   2           HA       ALA   2   5.093   2.360  -0.339
   12    HB1  ALA   2          1HB       ALA   2   4.874   1.379   2.252
   13    HB2  ALA   2          2HB       ALA   2   6.595   1.275   1.878
   14    HB3  ALA   2          3HB       ALA   2   5.753   2.818   1.734
   15    H    ARG   3           H        ARG   3   5.967  -1.019   0.137
   16    HA   ARG   3           HA       ARG   3   8.649  -0.974  -0.509
   17    HB2  ARG   3          2HB       ARG   3   8.320  -3.303  -1.327
   18    HB3  ARG   3          3HB       ARG   3   7.599  -3.003   0.248
   19    HG2  ARG   3          2HG       ARG   3   5.629  -3.679  -0.492
   20    HG3  ARG   3          3HG       ARG   3   5.661  -2.464  -1.772
   21    HD2  ARG   3          2HD       ARG   3   6.564  -3.929  -3.317
   22    HD3  ARG   3          3HD       ARG   3   7.234  -4.985  -2.075
   23    HE   ARG   3           HE       ARG   3   4.449  -5.049  -1.865
   24   HH11  ARG   3          1HH1      ARG   3   6.956  -6.008  -4.082
   25   HH12  ARG   3          2HH1      ARG   3   6.052  -7.334  -4.735
   26   HH21  ARG   3          1HH2      ARG   3   3.249  -6.792  -2.716
   27   HH22  ARG   3          2HH2      ARG   3   3.943  -7.778  -3.958
   28    H    GLY   4           H        GLY   4   5.876  -0.609  -2.595
   29    HA2  GLY   4          2HA       GLY   4   7.694  -0.472  -4.921
   30    HA3  GLY   4          3HA       GLY   4   6.008  -0.959  -5.022
   31    H    TRP   5           H        TRP   5   6.449   1.568  -2.838
   32    HA   TRP   5           HA       TRP   5   5.688   3.539  -4.893
   33    HB2  TRP   5          2HB       TRP   5   4.041   2.685  -2.929
   34    HB3  TRP   5          3HB       TRP   5   4.838   4.017  -2.095
   35    HD1  TRP   5           HD1      TRP   5   2.491   3.302  -5.035
   36    HE1  TRP   5           HE1      TRP   5   1.348   5.502  -5.727
   37    HE3  TRP   5           HE3      TRP   5   5.122   6.545  -2.086
   38    HZ2  TRP   5           HZ2      TRP   5   1.538   8.249  -5.105
   39    HZ3  TRP   5           HZ3      TRP   5   4.580   8.942  -2.195
   40    HH2  TRP   5           HH2      TRP   5   2.825   9.775  -3.674
   41    H    GLY   6           H        GLY   6   7.973   2.672  -2.602
   42    HA2  GLY   6          2HA       GLY   6   8.764   5.413  -1.970
   43    HA3  GLY   6          3HA       GLY   6   9.468   3.948  -1.302
   44    H    ARG   7           H        ARG   7   9.279   3.329  -4.485
   45    HA   ARG   7           HA       ARG   7  11.934   4.489  -5.029
   46    HB2  ARG   7          2HB       ARG   7  12.279   2.161  -4.741
   47    HB3  ARG   7          3HB       ARG   7  10.841   1.757  -5.670
   48    HG2  ARG   7          2HG       ARG   7  11.917   1.881  -7.633
   49    HG3  ARG   7          3HG       ARG   7  12.868   3.283  -7.141
   50    HD2  ARG   7          2HD       ARG   7  13.402   0.534  -6.056
   51    HD3  ARG   7          3HD       ARG   7  14.118   1.095  -7.566
   52    HE   ARG   7           HE       ARG   7  14.860   1.871  -4.904
   53   HH11  ARG   7          1HH1      ARG   7  14.826   2.830  -8.250
   54   HH12  ARG   7          2HH1      ARG   7  16.161   3.922  -8.086
   55   HH21  ARG   7          1HH2      ARG   7  16.618   3.305  -4.675
   56   HH22  ARG   7          2HH2      ARG   7  17.180   4.191  -6.052
   57    H    LYS   8           H        LYS   8   8.845   3.464  -6.387
   58    HA   LYS   8           HA       LYS   8   9.200   4.054  -9.052
   59    HB2  LYS   8          2HB       LYS   8   6.903   3.932  -7.214
   60    HB3  LYS   8          3HB       LYS   8   6.642   4.919  -8.646
   61    HG2  LYS   8          2HG       LYS   8   7.682   2.106  -8.793
   62    HG3  LYS   8          3HG       LYS   8   5.960   2.492  -8.801
   63    HD2  LYS   8          2HD       LYS   8   7.234   4.182 -10.689
   64    HD3  LYS   8          3HD       LYS   8   7.808   2.536 -10.968
   65    HE2  LYS   8          2HE       LYS   8   5.861   2.827 -12.296
   66    HE3  LYS   8          3HE       LYS   8   5.406   1.803 -10.936
   67    HZ1  LYS   8          1HZ       LYS   8   3.796   3.604 -11.474
   68    HZ2  LYS   8          2HZ       LYS   8   4.959   4.734 -10.997
   69    HZ3  LYS   8          3HZ       LYS   8   4.348   3.625  -9.875
   70    H    CYS   9           H        CYS   9   7.356   6.300  -7.014
   71    HA   CYS   9           HA       CYS   9   7.757   8.523  -8.646
   72    HB2  CYS   9          2HB       CYS   9   6.941   8.171  -5.783
   73    HB3  CYS   9          3HB       CYS   9   7.240   9.788  -6.408
   74    HG   CYS   9           HG       CYS   9   4.926   7.587  -7.640
   75    HA   PRO  10           HA       PRO  10  12.026   9.407  -7.778
   76    HB2  PRO  10          2HB       PRO  10  12.149  11.699  -9.228
   77    HB3  PRO  10          3HB       PRO  10  12.163  10.093  -9.966
   78    HG2  PRO  10          2HG       PRO  10   9.886  12.010  -9.645
   79    HG3  PRO  10          3HG       PRO  10  10.326  11.021 -11.050
   80    HD2  PRO  10          2HD       PRO  10   8.348  10.322  -9.338
   81    HD3  PRO  10          3HD       PRO  10   9.354   9.123 -10.176
   82    H    LEU  11           H        LEU  11   9.712  12.128  -7.751
   83    HA   LEU  11           HA       LEU  11  11.144  13.228  -5.431
   84    HB2  LEU  11          2HB       LEU  11  10.720  15.299  -6.187
   85    HB3  LEU  11          3HB       LEU  11  10.523  14.473  -7.731
   86    HG   LEU  11           HG       LEU  11   8.252  15.181  -5.876
   87   HD11  LEU  11          1HD1      LEU  11   7.798  17.055  -7.221
   88   HD12  LEU  11          2HD1      LEU  11   8.958  16.557  -8.452
   89   HD13  LEU  11          3HD1      LEU  11   9.528  17.130  -6.885
   90   HD21  LEU  11          1HD2      LEU  11   8.132  13.237  -7.608
   91   HD22  LEU  11          2HD2      LEU  11   8.012  14.545  -8.785
   92   HD23  LEU  11          3HD2      LEU  11   6.812  14.402  -7.499
   93    H    PHE  12           H        PHE  12   8.367  11.554  -6.289
   94    HA   PHE  12           HA       PHE  12   6.894  12.536  -3.939
   95    HB2  PHE  12          2HB       PHE  12   6.075  11.697  -6.604
   96    HB3  PHE  12          3HB       PHE  12   5.188  10.846  -5.343
   97    HD1  PHE  12           HD1      PHE  12   3.065  11.792  -5.457
   98    HD2  PHE  12           HD2      PHE  12   6.485  14.321  -5.291
   99    HE1  PHE  12           HE1      PHE  12   1.601  13.748  -5.167
  100    HE2  PHE  12           HE2      PHE  12   5.026  16.281  -5.000
  101    HZ   PHE  12           HZ       PHE  12   2.580  15.996  -4.937
  102    H    GLY  13           H        GLY  13   8.954  10.136  -4.812
  103    HA2  GLY  13          2HA       GLY  13   7.639   7.875  -3.622
  104    HA3  GLY  13          3HA       GLY  13   9.322   7.961  -4.120
  105    H    LYS  14           H        LYS  14   7.292   9.614  -1.696
  106    HA   LYS  14           HA       LYS  14   9.491   9.511   0.202
  107    HB2  LYS  14          2HB       LYS  14   7.079  11.105  -0.151
  108    HB3  LYS  14          3HB       LYS  14   7.288  10.580   1.515
  109    HG2  LYS  14          2HG       LYS  14   8.400  12.594   1.493
  110    HG3  LYS  14          3HG       LYS  14   9.713  11.447   1.220
  111    HD2  LYS  14          2HD       LYS  14   9.929  12.022  -1.008
  112    HD3  LYS  14          3HD       LYS  14   8.275  12.630  -1.117
  113    HE2  LYS  14          2HE       LYS  14   9.531  14.229   0.800
  114    HE3  LYS  14          3HE       LYS  14  10.714  14.036  -0.493
  115    HZ1  LYS  14          1HZ       LYS  14   7.922  14.753  -1.113
  116    HZ2  LYS  14          2HZ       LYS  14   9.318  15.024  -2.029
  117    HZ3  LYS  14          3HZ       LYS  14   9.027  15.944  -0.640
  118    H    ASN  15           H        ASN  15   6.019   8.952   0.727
  119    HA   ASN  15           HA       ASN  15   6.723   6.474   2.158
  120    HB2  ASN  15          2HB       ASN  15   6.133   8.086   3.829
  121    HB3  ASN  15          3HB       ASN  15   4.713   8.596   2.920
  122   HD21  ASN  15          1HD2      ASN  15   2.976   8.006   3.992
  123   HD22  ASN  15          2HD2      ASN  15   2.706   6.465   4.724
  124    H    LYS  16           H        LYS  16   3.519   7.822   1.631
  125    HA   LYS  16           HA       LYS  16   2.934   5.582  -0.192
  126    HB2  LYS  16          2HB       LYS  16   1.121   6.796   1.902
  127    HB3  LYS  16          3HB       LYS  16   0.646   5.553   0.752
  128    HG2  LYS  16          2HG       LYS  16   2.964   5.084   2.572
  129    HG3  LYS  16          3HG       LYS  16   1.314   4.897   3.171
  130    HD2  LYS  16          2HD       LYS  16   0.847   3.275   1.412
  131    HD3  LYS  16          3HD       LYS  16   2.477   3.486   0.768
  132    HE2  LYS  16          2HE       LYS  16   2.564   1.520   2.058
  133    HE3  LYS  16          3HE       LYS  16   3.311   2.767   3.056
  134    HZ1  LYS  16          1HZ       LYS  16   1.605   1.206   4.122
  135    HZ2  LYS  16          2HZ       LYS  16   0.441   2.141   3.326
  136    HZ3  LYS  16          3HZ       LYS  16   1.481   2.862   4.449
  137    H    SER  17           H        SER  17   2.157   8.904   0.722
  138    HA   SER  17           HA       SER  17   1.093   9.318  -1.996
  139    HB2  SER  17          2HB       SER  17  -0.189  11.262  -0.856
  140    HB3  SER  17          3HB       SER  17  -0.784   9.619  -0.623
  141    HG   SER  17           HG       SER  17   1.005  10.852   1.188
  142    H    ARG  18           H        ARG  18   3.041  10.572   0.631
  143    HA   ARG  18           HA       ARG  18   4.749  12.001  -1.108
  144    HB2  ARG  18          2HB       ARG  18   2.422  13.426  -0.135
  145    HB3  ARG  18          3HB       ARG  18   3.906  14.182   0.428
  146    HG2  ARG  18          2HG       ARG  18   4.681  14.098  -1.992
  147    HG3  ARG  18          3HG       ARG  18   3.005  13.718  -2.394
  148    HD2  ARG  18          2HD       ARG  18   3.022  16.011  -2.608
  149    HD3  ARG  18          3HD       ARG  18   2.476  15.817  -0.944
  150    HE   ARG  18           HE       ARG  18   5.305  16.053  -1.086
  151   HH11  ARG  18          1HH1      ARG  18   2.352  17.891  -1.228
  152   HH12  ARG  18          2HH1      ARG  18   3.086  19.359  -0.671
  153   HH21  ARG  18          1HH2      ARG  18   6.283  17.979  -0.352
  154   HH22  ARG  18          2HH2      ARG  18   5.322  19.408  -0.174
  Start of MODEL    4
    1    H1   VAL   1           H        VAL   1   1.871  -2.323  -0.098
    2    HA   VAL   1           HA       VAL   1   3.080  -2.843  -2.199
    3    HB   VAL   1           HB       VAL   1   1.145  -0.840  -3.368
    4   HG11  VAL   1          1HG1      VAL   1   3.554  -2.259  -4.394
    5   HG12  VAL   1          2HG1      VAL   1   2.222  -1.934  -5.504
    6   HG13  VAL   1          3HG1      VAL   1   3.018  -0.602  -4.667
    7   HG21  VAL   1          1HG2      VAL   1  -0.136  -2.774  -3.057
    8   HG22  VAL   1          2HG2      VAL   1   0.430  -2.893  -4.723
    9   HG23  VAL   1          3HG2      VAL   1   1.211  -3.840  -3.458
   10    H    ALA   2           H        ALA   2   4.593  -1.876  -0.755
   11    HA   ALA   2           HA       ALA   2   4.973   1.013  -1.209
   12    HB1  ALA   2          1HB       ALA   2   6.316  -0.044   1.146
   13    HB2  ALA   2          2HB       ALA   2   5.279   1.372   0.971
   14    HB3  ALA   2          3HB       ALA   2   4.562  -0.220   1.216
   15    H    ARG   3           H        ARG   3   6.504  -2.139  -0.903
   16    HA   ARG   3           HA       ARG   3   9.178  -1.384  -1.118
   17    HB2  ARG   3          2HB       ARG   3   9.630  -3.646  -1.777
   18    HB3  ARG   3          3HB       ARG   3   8.337  -3.677  -0.586
   19    HG2  ARG   3          2HG       ARG   3   6.785  -3.676  -2.677
   20    HG3  ARG   3          3HG       ARG   3   8.233  -4.246  -3.510
   21    HD2  ARG   3          2HD       ARG   3   7.470  -6.272  -2.877
   22    HD3  ARG   3          3HD       ARG   3   8.262  -5.860  -1.357
   23    HE   ARG   3           HE       ARG   3   5.593  -4.915  -1.380
   24   HH11  ARG   3          1HH1      ARG   3   7.474  -7.828  -1.072
   25   HH12  ARG   3          2HH1      ARG   3   6.287  -8.649  -0.114
   26   HH21  ARG   3          1HH2      ARG   3   4.022  -5.984  -0.119
   27   HH22  ARG   3          2HH2      ARG   3   4.323  -7.600   0.427
   28    H    GLY   4           H        GLY   4   6.681  -1.640  -3.548
   29    HA2  GLY   4          2HA       GLY   4   8.672  -0.956  -5.620
   30    HA3  GLY   4          3HA       GLY   4   7.161  -1.794  -5.938
   31    H    TRP   5           H        TRP   5   6.974   0.757  -3.673
   32    HA   TRP   5           HA       TRP   5   5.800   2.498  -5.742
   33    HB2  TRP   5          2HB       TRP   5   4.314   1.444  -3.877
   34    HB3  TRP   5          3HB       TRP   5   5.046   2.666  -2.841
   35    HD1  TRP   5           HD1      TRP   5   2.482   2.230  -5.592
   36    HE1  TRP   5           HE1      TRP   5   1.248   4.459  -5.959
   37    HE3  TRP   5           HE3      TRP   5   5.416   5.268  -2.711
   38    HZ2  TRP   5           HZ2      TRP   5   1.487   7.149  -5.137
   39    HZ3  TRP   5           HZ3      TRP   5   4.845   7.656  -2.555
   40    HH2  TRP   5           HH2      TRP   5   2.921   8.575  -3.744
   41    H    GLY   6           H        GLY   6   8.092   2.223  -3.186
   42    HA2  GLY   6          2HA       GLY   6   8.463   5.109  -2.971
   43    HA3  GLY   6          3HA       GLY   6   9.294   3.879  -2.030
   44    H    ARG   7           H        ARG   7   9.153   3.386  -5.425
   45    HA   ARG   7           HA       ARG   7  11.939   4.317  -5.673
   46    HB2  ARG   7          2HB       ARG   7  12.034   1.951  -5.717
   47    HB3  ARG   7          3HB       ARG   7  10.618   1.836  -6.753
   48    HG2  ARG   7          2HG       ARG   7  11.816   2.082  -8.625
   49    HG3  ARG   7          3HG       ARG   7  12.836   3.340  -7.924
   50    HD2  ARG   7          2HD       ARG   7  13.108   0.417  -7.254
   51    HD3  ARG   7          3HD       ARG   7  14.013   1.203  -8.547
   52    HE   ARG   7           HE       ARG   7  14.456   2.720  -6.293
   53   HH11  ARG   7          1HH1      ARG   7  14.978  -0.583  -7.263
   54   HH12  ARG   7          2HH1      ARG   7  16.372  -0.795  -6.255
   55   HH21  ARG   7          1HH2      ARG   7  16.289   2.452  -4.962
   56   HH22  ARG   7          2HH2      ARG   7  17.116   0.932  -4.946
   57    H    LYS   8           H        LYS   8   8.946   3.639  -7.461
   58    HA   LYS   8           HA       LYS   8   9.593   4.729  -9.910
   59    HB2  LYS   8          2HB       LYS   8   7.089   4.274  -8.408
   60    HB3  LYS   8          3HB       LYS   8   6.989   5.459  -9.704
   61    HG2  LYS   8          2HG       LYS   8   8.296   3.447 -10.957
   62    HG3  LYS   8          3HG       LYS   8   7.285   2.543  -9.826
   63    HD2  LYS   8          2HD       LYS   8   5.342   3.936 -10.655
   64    HD3  LYS   8          3HD       LYS   8   6.412   4.504 -11.938
   65    HE2  LYS   8          2HE       LYS   8   6.487   2.452 -12.968
   66    HE3  LYS   8          3HE       LYS   8   6.146   1.572 -11.479
   67    HZ1  LYS   8          1HZ       LYS   8   3.888   2.980 -11.821
   68    HZ2  LYS   8          2HZ       LYS   8   4.108   1.388 -12.349
   69    HZ3  LYS   8          3HZ       LYS   8   4.321   2.674 -13.428
   70    H    CYS   9           H        CYS   9   7.458   6.514  -7.705
   71    HA   CYS   9           HA       CYS   9   8.052   9.020  -8.831
   72    HB2  CYS   9          2HB       CYS   9   6.717   8.138  -6.292
   73    HB3  CYS   9          3HB       CYS   9   7.043   9.845  -6.570
   74    HG   CYS   9           HG       CYS   9   5.388   8.101  -8.966
   75    HA   PRO  10           HA       PRO  10  12.038   9.668  -6.961
   76    HB2  PRO  10          2HB       PRO  10  12.412  12.166  -7.956
   77    HB3  PRO  10          3HB       PRO  10  12.617  10.704  -8.928
   78    HG2  PRO  10          2HG       PRO  10  10.281  12.571  -8.785
   79    HG3  PRO  10          3HG       PRO  10  11.030  11.823 -10.208
   80    HD2  PRO  10          2HD       PRO  10   8.751  10.876  -9.091
   81    HD3  PRO  10          3HD       PRO  10   9.938   9.819  -9.883
   82    H    LEU  11           H        LEU  11   9.721  12.387  -6.982
   83    HA   LEU  11           HA       LEU  11  10.642  13.122  -4.295
   84    HB2  LEU  11          2HB       LEU  11   9.919  15.281  -4.695
   85    HB3  LEU  11          3HB       LEU  11  10.527  14.768  -6.268
   86    HG   LEU  11           HG       LEU  11   7.863  14.121  -6.418
   87   HD11  LEU  11          1HD1      LEU  11   7.934  16.855  -5.195
   88   HD12  LEU  11          2HD1      LEU  11   7.662  15.416  -4.213
   89   HD13  LEU  11          3HD1      LEU  11   6.545  15.817  -5.518
   90   HD21  LEU  11          1HD2      LEU  11   9.435  16.520  -7.305
   91   HD22  LEU  11          2HD2      LEU  11   7.744  16.294  -7.753
   92   HD23  LEU  11          3HD2      LEU  11   8.952  15.106  -8.244
   93    H    PHE  12           H        PHE  12   8.015  11.720  -5.980
   94    HA   PHE  12           HA       PHE  12   6.200  12.143  -3.713
   95    HB2  PHE  12          2HB       PHE  12   5.828  11.934  -6.568
   96    HB3  PHE  12          3HB       PHE  12   4.853  10.728  -5.735
   97    HD1  PHE  12           HD1      PHE  12   2.695  11.576  -6.022
   98    HD2  PHE  12           HD2      PHE  12   5.772  14.101  -4.515
   99    HE1  PHE  12           HE1      PHE  12   1.018  13.297  -5.493
  100    HE2  PHE  12           HE2      PHE  12   4.100  15.826  -3.983
  101    HZ   PHE  12           HZ       PHE  12   1.720  15.426  -4.471
  102    H    GLY  13           H        GLY  13   8.483  10.004  -4.613
  103    HA2  GLY  13          2HA       GLY  13   7.450   7.466  -4.553
  104    HA3  GLY  13          3HA       GLY  13   8.994   7.899  -3.833
  105    H    LYS  14           H        LYS  14   7.598   9.737  -1.927
  106    HA   LYS  14           HA       LYS  14   6.434   7.691  -0.155
  107    HB2  LYS  14          2HB       LYS  14   7.427   9.153   1.719
  108    HB3  LYS  14          3HB       LYS  14   8.518   8.108   0.820
  109    HG2  LYS  14          2HG       LYS  14   8.196  10.835  -0.243
  110    HG3  LYS  14          3HG       LYS  14   8.999  10.702   1.324
  111    HD2  LYS  14          2HD       LYS  14  10.178   8.696  -0.141
  112    HD3  LYS  14          3HD       LYS  14   9.946   9.972  -1.340
  113    HE2  LYS  14          2HE       LYS  14  10.898  11.406   0.748
  114    HE3  LYS  14          3HE       LYS  14  11.721   9.869   1.008
  115    HZ1  LYS  14          1HZ       LYS  14  13.165  10.498  -0.529
  116    HZ2  LYS  14          2HZ       LYS  14  12.261  11.874  -0.917
  117    HZ3  LYS  14          3HZ       LYS  14  11.939  10.404  -1.691
  118    H    ASN  15           H        ASN  15   4.334   8.327  -0.823
  119    HA   ASN  15           HA       ASN  15   3.273  10.862  -0.917
  120    HB2  ASN  15          2HB       ASN  15   2.267   8.279  -1.056
  121    HB3  ASN  15          3HB       ASN  15   1.425   8.977   0.325
  122   HD21  ASN  15          1HD2      ASN  15  -0.553   9.194  -0.576
  123   HD22  ASN  15          2HD2      ASN  15  -0.898  10.233  -1.912
  124    H    LYS  16           H        LYS  16   4.184   9.004   1.862
  125    HA   LYS  16           HA       LYS  16   2.691  10.064   3.900
  126    HB2  LYS  16          2HB       LYS  16   5.664   9.515   3.972
  127    HB3  LYS  16          3HB       LYS  16   4.608   9.639   5.373
  128    HG2  LYS  16          2HG       LYS  16   4.001   7.634   3.251
  129    HG3  LYS  16          3HG       LYS  16   5.274   7.308   4.430
  130    HD2  LYS  16          2HD       LYS  16   3.673   7.664   6.250
  131    HD3  LYS  16          3HD       LYS  16   2.402   7.985   5.068
  132    HE2  LYS  16          2HE       LYS  16   1.977   5.811   4.937
  133    HE3  LYS  16          3HE       LYS  16   3.625   5.521   4.381
  134    HZ1  LYS  16          1HZ       LYS  16   3.891   4.390   6.258
  135    HZ2  LYS  16          2HZ       LYS  16   2.448   4.969   6.924
  136    HZ3  LYS  16          3HZ       LYS  16   3.871   5.871   7.077
  137    H    SER  17           H        SER  17   5.324  11.569   2.142
  138    HA   SER  17           HA       SER  17   5.967  13.691   3.773
  139    HB2  SER  17          2HB       SER  17   6.673  12.959   1.260
  140    HB3  SER  17          3HB       SER  17   5.674  14.369   0.906
  141    HG   SER  17           HG       SER  17   7.906  14.875   1.260
  142    H    ARG  18           H        ARG  18   3.380  13.580   1.329
  143    HA   ARG  18           HA       ARG  18   2.386  16.171   1.897
  144    HB2  ARG  18          2HB       ARG  18   1.838  14.106   0.045
  145    HB3  ARG  18          3HB       ARG  18   0.326  14.454   0.873
  146    HG2  ARG  18          2HG       ARG  18   1.488  16.938   0.246
  147    HG3  ARG  18          3HG       ARG  18   1.630  15.926  -1.193
  148    HD2  ARG  18          2HD       ARG  18  -0.964  15.911   0.245
  149    HD3  ARG  18          3HD       ARG  18  -0.546  17.364  -0.662
  150    HE   ARG  18           HE       ARG  18  -1.257  14.791  -1.735
  151   HH11  ARG  18          1HH1      ARG  18   0.388  17.800  -2.337
  152   HH12  ARG  18          2HH1      ARG  18   0.254  17.679  -4.060
  153   HH21  ARG  18          1HH2      ARG  18  -1.440  14.621  -4.003
  154   HH22  ARG  18          2HH2      ARG  18  -0.786  15.871  -5.007
  Start of MODEL    5
    1    H1   VAL   1           H        VAL   1   1.950  -3.522  -0.870
    2    HA   VAL   1           HA       VAL   1   1.813  -1.982  -3.183
    3    HB   VAL   1           HB       VAL   1  -0.070  -2.386  -1.583
    4   HG11  VAL   1          1HG1      VAL   1   1.156  -1.846   0.478
    5   HG12  VAL   1          2HG1      VAL   1   1.217  -0.153  -0.015
    6   HG13  VAL   1          3HG1      VAL   1  -0.335  -0.917   0.331
    7   HG21  VAL   1          1HG2      VAL   1  -1.211  -0.609  -2.403
    8   HG22  VAL   1          2HG2      VAL   1   0.017   0.553  -1.899
    9   HG23  VAL   1          3HG2      VAL   1   0.257  -0.406  -3.359
   10    H    ALA   2           H        ALA   2   4.044  -1.726  -0.743
   11    HA   ALA   2           HA       ALA   2   4.542   1.116  -1.351
   12    HB1  ALA   2          1HB       ALA   2   3.961   0.206   1.099
   13    HB2  ALA   2          2HB       ALA   2   5.710  -0.026   1.111
   14    HB3  ALA   2          3HB       ALA   2   5.035   1.575   0.808
   15    H    ARG   3           H        ARG   3   5.994  -2.045  -0.743
   16    HA   ARG   3           HA       ARG   3   8.676  -1.428  -0.981
   17    HB2  ARG   3          2HB       ARG   3   8.913  -3.781  -1.893
   18    HB3  ARG   3          3HB       ARG   3   8.089  -3.634  -0.346
   19    HG2  ARG   3          2HG       ARG   3   6.315  -4.676  -1.155
   20    HG3  ARG   3          3HG       ARG   3   6.162  -3.481  -2.444
   21    HD2  ARG   3          2HD       ARG   3   6.384  -5.679  -3.410
   22    HD3  ARG   3          3HD       ARG   3   7.833  -4.736  -3.758
   23    HE   ARG   3           HE       ARG   3   8.103  -6.324  -1.398
   24   HH11  ARG   3          1HH1      ARG   3   8.267  -6.388  -4.875
   25   HH12  ARG   3          2HH1      ARG   3   9.357  -7.734  -4.929
   26   HH21  ARG   3          1HH2      ARG   3   9.538  -8.097  -1.456
   27   HH22  ARG   3          2HH2      ARG   3  10.079  -8.706  -2.984
   28    H    GLY   4           H        GLY   4   6.234  -1.696  -3.472
   29    HA2  GLY   4          2HA       GLY   4   8.303  -1.149  -5.507
   30    HA3  GLY   4          3HA       GLY   4   6.774  -1.950  -5.839
   31    H    TRP   5           H        TRP   5   6.673   0.718  -3.683
   32    HA   TRP   5           HA       TRP   5   5.565   2.395  -5.838
   33    HB2  TRP   5          2HB       TRP   5   4.032   1.497  -3.937
   34    HB3  TRP   5          3HB       TRP   5   4.816   2.726  -2.949
   35    HD1  TRP   5           HD1      TRP   5   2.238   2.292  -5.686
   36    HE1  TRP   5           HE1      TRP   5   1.105   4.557  -6.150
   37    HE3  TRP   5           HE3      TRP   5   5.304   5.312  -2.927
   38    HZ2  TRP   5           HZ2      TRP   5   1.465   7.265  -5.440
   39    HZ3  TRP   5           HZ3      TRP   5   4.842   7.728  -2.872
   40    HH2  TRP   5           HH2      TRP   5   2.962   8.683  -4.103
   41    H    GLY   6           H        GLY   6   7.838   2.161  -3.261
   42    HA2  GLY   6          2HA       GLY   6   8.326   5.039  -3.204
   43    HA3  GLY   6          3HA       GLY   6   9.093   3.833  -2.182
   44    H    ARG   7           H        ARG   7   8.943   3.221  -5.573
   45    HA   ARG   7           HA       ARG   7  11.787   3.957  -5.816
   46    HB2  ARG   7          2HB       ARG   7  10.316   1.496  -6.668
   47    HB3  ARG   7          3HB       ARG   7  11.694   2.037  -7.616
   48    HG2  ARG   7          2HG       ARG   7  12.305   2.015  -4.794
   49    HG3  ARG   7          3HG       ARG   7  11.747   0.437  -5.353
   50    HD2  ARG   7          2HD       ARG   7  14.028   0.327  -5.735
   51    HD3  ARG   7          3HD       ARG   7  13.401   0.819  -7.308
   52    HE   ARG   7           HE       ARG   7  14.551   2.777  -7.093
   53   HH11  ARG   7          1HH1      ARG   7  14.184   1.348  -3.940
   54   HH12  ARG   7          2HH1      ARG   7  15.182   2.523  -3.148
   55   HH21  ARG   7          1HH2      ARG   7  15.866   4.329  -6.062
   56   HH22  ARG   7          2HH2      ARG   7  16.137   4.219  -4.356
   57    H    LYS   8           H        LYS   8   8.806   3.367  -7.666
   58    HA   LYS   8           HA       LYS   8   9.557   4.389 -10.111
   59    HB2  LYS   8          2HB       LYS   8   6.998   4.059  -8.672
   60    HB3  LYS   8          3HB       LYS   8   6.979   5.224  -9.989
   61    HG2  LYS   8          2HG       LYS   8   8.289   3.030 -11.053
   62    HG3  LYS   8          3HG       LYS   8   6.998   2.334 -10.071
   63    HD2  LYS   8          2HD       LYS   8   5.332   3.559 -11.249
   64    HD3  LYS   8          3HD       LYS   8   6.546   4.548 -12.064
   65    HE2  LYS   8          2HE       LYS   8   6.536   3.093 -13.743
   66    HE3  LYS   8          3HE       LYS   8   7.189   1.877 -12.647
   67    HZ1  LYS   8          1HZ       LYS   8   4.931   1.260 -12.045
   68    HZ2  LYS   8          2HZ       LYS   8   5.168   1.104 -13.712
   69    HZ3  LYS   8          3HZ       LYS   8   4.305   2.424 -13.101
   70    H    CYS   9           H        CYS   9   7.429   6.301  -8.011
   71    HA   CYS   9           HA       CYS   9   8.133   8.758  -9.163
   72    HB2  CYS   9          2HB       CYS   9   6.753   7.978  -6.614
   73    HB3  CYS   9          3HB       CYS   9   7.137   9.666  -6.931
   74    HG   CYS   9           HG       CYS   9   5.500   8.009  -9.374
   75    HA   PRO  10           HA       PRO  10  12.130   9.287  -7.273
   76    HB2  PRO  10          2HB       PRO  10  12.618  11.736  -8.339
   77    HB3  PRO  10          3HB       PRO  10  12.772  10.238  -9.264
   78    HG2  PRO  10          2HG       PRO  10  10.515  12.204  -9.204
   79    HG3  PRO  10          3HG       PRO  10  11.246  11.381 -10.595
   80    HD2  PRO  10          2HD       PRO  10   8.919  10.564  -9.476
   81    HD3  PRO  10          3HD       PRO  10  10.068   9.435 -10.222
   82    H    LEU  11           H        LEU  11   9.933  12.101  -7.404
   83    HA   LEU  11           HA       LEU  11  10.855  12.878  -4.730
   84    HB2  LEU  11          2HB       LEU  11  10.229  15.052  -5.203
   85    HB3  LEU  11          3HB       LEU  11  10.829  14.466  -6.753
   86    HG   LEU  11           HG       LEU  11   8.142  13.927  -6.912
   87   HD11  LEU  11          1HD1      LEU  11   8.033  15.338  -4.739
   88   HD12  LEU  11          2HD1      LEU  11   6.878  15.649  -6.035
   89   HD13  LEU  11          3HD1      LEU  11   8.273  16.707  -5.824
   90   HD21  LEU  11          1HD2      LEU  11   9.874  16.170  -7.876
   91   HD22  LEU  11          2HD2      LEU  11   8.155  16.128  -8.270
   92   HD23  LEU  11          3HD2      LEU  11   9.209  14.805  -8.774
   93    H    PHE  12           H        PHE  12   8.183  11.548  -6.408
   94    HA   PHE  12           HA       PHE  12   6.365  12.114  -4.176
   95    HB2  PHE  12          2HB       PHE  12   6.017  11.824  -7.027
   96    HB3  PHE  12          3HB       PHE  12   4.985  10.687  -6.167
   97    HD1  PHE  12           HD1      PHE  12   2.867  11.612  -6.514
   98    HD2  PHE  12           HD2      PHE  12   6.024  14.058  -5.043
   99    HE1  PHE  12           HE1      PHE  12   1.255  13.416  -6.065
  100    HE2  PHE  12           HE2      PHE  12   4.417  15.866  -4.590
  101    HZ   PHE  12           HZ       PHE  12   2.029  15.546  -5.100
  102    H    GLY  13           H        GLY  13   8.568   9.855  -4.970
  103    HA2  GLY  13          2HA       GLY  13   7.426   7.365  -4.836
  104    HA3  GLY  13          3HA       GLY  13   8.982   7.757  -4.118
  105    H    LYS  14           H        LYS  14   7.630   9.724  -2.298
  106    HA   LYS  14           HA       LYS  14   6.389   7.786  -0.457
  107    HB2  LYS  14          2HB       LYS  14   7.405   9.292   1.367
  108    HB3  LYS  14          3HB       LYS  14   8.477   8.186   0.519
  109    HG2  LYS  14          2HG       LYS  14   9.341   9.959  -0.836
  110    HG3  LYS  14          3HG       LYS  14   8.150  11.092  -0.193
  111    HD2  LYS  14          2HD       LYS  14   9.923  11.651   1.126
  112    HD3  LYS  14          3HD       LYS  14   9.252  10.346   2.107
  113    HE2  LYS  14          2HE       LYS  14  11.198   9.586   0.009
  114    HE3  LYS  14          3HE       LYS  14  11.830  10.466   1.399
  115    HZ1  LYS  14          1HZ       LYS  14  11.549   7.832   1.351
  116    HZ2  LYS  14          2HZ       LYS  14  10.040   8.253   1.988
  117    HZ3  LYS  14          3HZ       LYS  14  11.456   8.740   2.775
  118    H    ASN  15           H        ASN  15   4.313   8.448  -1.162
  119    HA   ASN  15           HA       ASN  15   3.319  11.001  -1.381
  120    HB2  ASN  15          2HB       ASN  15   2.230   8.527  -1.560
  121    HB3  ASN  15          3HB       ASN  15   1.514   9.073  -0.047
  122   HD21  ASN  15          1HD2      ASN  15  -0.243   8.611  -1.891
  123   HD22  ASN  15          2HD2      ASN  15  -0.832  10.055  -2.634
  124    H    LYS  16           H        LYS  16   4.176   9.260   1.488
  125    HA   LYS  16           HA       LYS  16   2.707  10.443   3.471
  126    HB2  LYS  16          2HB       LYS  16   4.603   8.694   3.621
  127    HB3  LYS  16          3HB       LYS  16   5.677  10.078   3.777
  128    HG2  LYS  16          2HG       LYS  16   4.922  10.608   5.860
  129    HG3  LYS  16          3HG       LYS  16   3.315   9.939   5.570
  130    HD2  LYS  16          2HD       LYS  16   4.216   7.678   5.718
  131    HD3  LYS  16          3HD       LYS  16   5.839   8.329   5.962
  132    HE2  LYS  16          2HE       LYS  16   5.441   8.861   8.121
  133    HE3  LYS  16          3HE       LYS  16   3.768   9.323   7.809
  134    HZ1  LYS  16          1HZ       LYS  16   4.161   6.526   7.456
  135    HZ2  LYS  16          2HZ       LYS  16   3.065   7.335   8.457
  136    HZ3  LYS  16          3HZ       LYS  16   4.632   7.011   9.007
  137    H    SER  17           H        SER  17   5.449  11.799   1.724
  138    HA   SER  17           HA       SER  17   6.036  14.012   3.249
  139    HB2  SER  17          2HB       SER  17   5.890  14.141   0.239
  140    HB3  SER  17          3HB       SER  17   7.015  14.970   1.314
  141    HG   SER  17           HG       SER  17   8.128  13.265   0.495
  142    H    ARG  18           H        ARG  18   3.930  14.172   0.375
  143    HA   ARG  18           HA       ARG  18   2.782  16.651   1.185
  144    HB2  ARG  18          2HB       ARG  18   1.458  16.510  -0.784
  145    HB3  ARG  18          3HB       ARG  18   3.030  15.836  -1.191
  146    HG2  ARG  18          2HG       ARG  18   2.014  14.019  -1.935
  147    HG3  ARG  18          3HG       ARG  18   1.459  13.688  -0.293
  148    HD2  ARG  18          2HD       ARG  18  -0.358  15.514  -0.978
  149    HD3  ARG  18          3HD       ARG  18   0.020  14.897  -2.586
  150    HE   ARG  18           HE       ARG  18  -0.466  12.774  -0.766
  151   HH11  ARG  18          1HH1      ARG  18  -2.067  15.223  -2.652
  152   HH12  ARG  18          2HH1      ARG  18  -3.547  14.333  -2.792
  153   HH21  ARG  18          1HH2      ARG  18  -2.408  11.592  -0.944
  154   HH22  ARG  18          2HH2      ARG  18  -3.740  12.268  -1.820
  Start of MODEL    6
    1    H1   VAL   1           H        VAL   1   0.320  -2.541  -0.671
    2    HA   VAL   1           HA       VAL   1   2.455  -2.855  -1.399
    3    HB   VAL   1           HB       VAL   1   1.531  -1.466  -3.915
    4   HG11  VAL   1          1HG1      VAL   1   4.035  -2.414  -3.185
    5   HG12  VAL   1          2HG1      VAL   1   3.362  -3.687  -4.206
    6   HG13  VAL   1          3HG1      VAL   1   3.484  -2.037  -4.817
    7   HG21  VAL   1          1HG2      VAL   1   0.814  -4.060  -2.761
    8   HG22  VAL   1          2HG2      VAL   1   0.009  -3.113  -4.013
    9   HG23  VAL   1          3HG2      VAL   1   1.381  -4.140  -4.429
   10    H    ALA   2           H        ALA   2   4.092  -1.774  -0.542
   11    HA   ALA   2           HA       ALA   2   4.356   1.100  -1.149
   12    HB1  ALA   2          1HB       ALA   2   5.670   0.124   1.290
   13    HB2  ALA   2          2HB       ALA   2   4.745   1.599   1.008
   14    HB3  ALA   2          3HB       ALA   2   3.907   0.078   1.319
   15    H    ARG   3           H        ARG   3   5.986  -1.978  -0.731
   16    HA   ARG   3           HA       ARG   3   8.640  -1.124  -0.946
   17    HB2  ARG   3          2HB       ARG   3   9.137  -3.428  -1.653
   18    HB3  ARG   3          3HB       ARG   3   8.060  -3.387  -0.264
   19    HG2  ARG   3          2HG       ARG   3   6.772  -4.802  -1.389
   20    HG3  ARG   3          3HG       ARG   3   6.334  -3.434  -2.414
   21    HD2  ARG   3          2HD       ARG   3   7.071  -4.814  -4.049
   22    HD3  ARG   3          3HD       ARG   3   8.633  -4.138  -3.588
   23    HE   ARG   3           HE       ARG   3   8.259  -6.340  -1.977
   24   HH11  ARG   3          1HH1      ARG   3   8.458  -5.703  -5.394
   25   HH12  ARG   3          2HH1      ARG   3   9.117  -7.259  -5.778
   26   HH21  ARG   3          1HH2      ARG   3   9.126  -8.392  -2.470
   27   HH22  ARG   3          2HH2      ARG   3   9.495  -8.788  -4.114
   28    H    GLY   4           H        GLY   4   6.155  -1.505  -3.348
   29    HA2  GLY   4          2HA       GLY   4   8.123  -1.080  -5.496
   30    HA3  GLY   4          3HA       GLY   4   6.490  -1.689  -5.720
   31    H    TRP   5           H        TRP   5   5.603   0.484  -3.752
   32    HA   TRP   5           HA       TRP   5   5.085   2.465  -5.792
   33    HB2  TRP   5          2HB       TRP   5   3.454   1.570  -3.964
   34    HB3  TRP   5          3HB       TRP   5   4.248   2.749  -2.924
   35    HD1  TRP   5           HD1      TRP   5   1.757   2.468  -5.763
   36    HE1  TRP   5           HE1      TRP   5   0.721   4.781  -6.211
   37    HE3  TRP   5           HE3      TRP   5   4.819   5.313  -2.819
   38    HZ2  TRP   5           HZ2      TRP   5   1.146   7.457  -5.422
   39    HZ3  TRP   5           HZ3      TRP   5   4.437   7.742  -2.721
   40    HH2  TRP   5           HH2      TRP   5   2.639   8.790  -3.997
   41    H    GLY   6           H        GLY   6   7.262   2.037  -3.162
   42    HA2  GLY   6          2HA       GLY   6   7.869   4.886  -2.973
   43    HA3  GLY   6          3HA       GLY   6   8.555   3.608  -1.981
   44    H    ARG   7           H        ARG   7   8.491   3.086  -5.379
   45    HA   ARG   7           HA       ARG   7  11.358   3.752  -5.529
   46    HB2  ARG   7          2HB       ARG   7   9.848   1.350  -6.481
   47    HB3  ARG   7          3HB       ARG   7  11.280   1.868  -7.360
   48    HG2  ARG   7          2HG       ARG   7  11.847   1.808  -4.556
   49    HG3  ARG   7          3HG       ARG   7  11.148   0.268  -5.061
   50    HD2  ARG   7          2HD       ARG   7  13.466   0.027  -5.368
   51    HD3  ARG   7          3HD       ARG   7  12.812   0.318  -6.980
   52    HE   ARG   7           HE       ARG   7  13.495   2.794  -6.128
   53   HH11  ARG   7          1HH1      ARG   7  15.202  -0.234  -6.314
   54   HH12  ARG   7          2HH1      ARG   7  16.750   0.504  -6.557
   55   HH21  ARG   7          1HH2      ARG   7  15.528   3.778  -6.448
   56   HH22  ARG   7          2HH2      ARG   7  16.935   2.786  -6.632
   57    H    LYS   8           H        LYS   8   8.400   3.305  -7.448
   58    HA   LYS   8           HA       LYS   8   9.235   4.322  -9.866
   59    HB2  LYS   8          2HB       LYS   8   6.644   4.084  -8.472
   60    HB3  LYS   8          3HB       LYS   8   6.693   5.280  -9.760
   61    HG2  LYS   8          2HG       LYS   8   7.512   3.537 -11.303
   62    HG3  LYS   8          3HG       LYS   8   7.348   2.351 -10.006
   63    HD2  LYS   8          2HD       LYS   8   5.056   4.059 -10.948
   64    HD3  LYS   8          3HD       LYS   8   5.430   2.488 -11.661
   65    HE2  LYS   8          2HE       LYS   8   4.883   2.960  -8.733
   66    HE3  LYS   8          3HE       LYS   8   3.684   2.396  -9.896
   67    HZ1  LYS   8          1HZ       LYS   8   5.968   0.779 -10.098
   68    HZ2  LYS   8          2HZ       LYS   8   4.410   0.341  -9.606
   69    HZ3  LYS   8          3HZ       LYS   8   5.537   0.878  -8.465
   70    H    CYS   9           H        CYS   9   7.169   6.306  -7.770
   71    HA   CYS   9           HA       CYS   9   8.026   8.740  -8.882
   72    HB2  CYS   9          2HB       CYS   9   6.501   7.991  -6.411
   73    HB3  CYS   9          3HB       CYS   9   7.004   9.659  -6.654
   74    HG   CYS   9           HG       CYS   9   4.311   8.306  -7.691
   75    HA   PRO  10           HA       PRO  10  11.973   9.046  -6.843
   76    HB2  PRO  10          2HB       PRO  10  12.620  11.480  -7.856
   77    HB3  PRO  10          3HB       PRO  10  12.733   9.987  -8.796
   78    HG2  PRO  10          2HG       PRO  10  10.576  12.063  -8.789
   79    HG3  PRO  10          3HG       PRO  10  11.315  11.221 -10.164
   80    HD2  PRO  10          2HD       PRO  10   8.911  10.509  -9.141
   81    HD3  PRO  10          3HD       PRO  10  10.029   9.333  -9.861
   82    H    LEU  11           H        LEU  11   9.927  11.970  -7.014
   83    HA   LEU  11           HA       LEU  11  10.777  12.653  -4.289
   84    HB2  LEU  11          2HB       LEU  11  10.563  14.831  -4.820
   85    HB3  LEU  11          3HB       LEU  11  10.765  14.216  -6.459
   86    HG   LEU  11           HG       LEU  11   8.093  14.775  -5.176
   87   HD11  LEU  11          1HD1      LEU  11   9.667  16.769  -5.565
   88   HD12  LEU  11          2HD1      LEU  11   8.034  16.850  -6.225
   89   HD13  LEU  11          3HD1      LEU  11   9.393  16.465  -7.281
   90   HD21  LEU  11          1HD2      LEU  11   8.680  14.512  -8.102
   91   HD22  LEU  11          2HD2      LEU  11   7.141  14.355  -7.255
   92   HD23  LEU  11          3HD2      LEU  11   8.362  13.090  -7.109
   93    H    PHE  12           H        PHE  12   8.192  11.332  -6.009
   94    HA   PHE  12           HA       PHE  12   6.279  12.041  -3.890
   95    HB2  PHE  12          2HB       PHE  12   6.033  11.690  -6.779
   96    HB3  PHE  12          3HB       PHE  12   4.826  10.779  -5.878
   97    HD1  PHE  12           HD1      PHE  12   6.288  13.985  -4.798
   98    HD2  PHE  12           HD2      PHE  12   2.917  12.026  -6.503
   99    HE1  PHE  12           HE1      PHE  12   4.958  16.036  -4.516
  100    HE2  PHE  12           HE2      PHE  12   1.581  14.073  -6.226
  101    HZ   PHE  12           HZ       PHE  12   2.602  16.082  -5.232
  102    H    GLY  13           H        GLY  13   8.385   9.674  -4.647
  103    HA2  GLY  13          2HA       GLY  13   7.094   7.252  -4.598
  104    HA3  GLY  13          3HA       GLY  13   8.648   7.539  -3.829
  105    H    LYS  14           H        LYS  14   7.349   9.555  -2.017
  106    HA   LYS  14           HA       LYS  14   5.951   7.659  -0.246
  107    HB2  LYS  14          2HB       LYS  14   6.991   9.080   1.633
  108    HB3  LYS  14          3HB       LYS  14   8.027   7.929   0.798
  109    HG2  LYS  14          2HG       LYS  14   8.995   9.693  -0.527
  110    HG3  LYS  14          3HG       LYS  14   7.881  10.871   0.171
  111    HD2  LYS  14          2HD       LYS  14   9.982  11.106   1.285
  112    HD3  LYS  14          3HD       LYS  14   8.860  10.341   2.413
  113    HE2  LYS  14          2HE       LYS  14   9.857   8.224   2.122
  114    HE3  LYS  14          3HE       LYS  14  10.736   8.748   0.687
  115    HZ1  LYS  14          1HZ       LYS  14  12.423   9.383   1.950
  116    HZ2  LYS  14          2HZ       LYS  14  11.637   8.746   3.305
  117    HZ3  LYS  14          3HZ       LYS  14  11.427  10.374   2.892
  118    H    ASN  15           H        ASN  15   3.935   8.443  -0.996
  119    HA   ASN  15           HA       ASN  15   3.082  11.043  -1.213
  120    HB2  ASN  15          2HB       ASN  15   1.867   8.629  -1.425
  121    HB3  ASN  15          3HB       ASN  15   1.146   9.212   0.072
  122   HD21  ASN  15          1HD2      ASN  15  -0.133  11.069   0.036
  123   HD22  ASN  15          2HD2      ASN  15  -0.803  11.683  -1.434
  124    H    LYS  16           H        LYS  16   3.766   9.238   1.667
  125    HA   LYS  16           HA       LYS  16   2.322  10.510   3.617
  126    HB2  LYS  16          2HB       LYS  16   5.235   9.717   3.792
  127    HB3  LYS  16          3HB       LYS  16   4.161   9.993   5.158
  128    HG2  LYS  16          2HG       LYS  16   2.714   8.136   4.089
  129    HG3  LYS  16          3HG       LYS  16   4.186   7.734   3.202
  130    HD2  LYS  16          2HD       LYS  16   4.576   8.139   6.081
  131    HD3  LYS  16          3HD       LYS  16   3.535   6.774   5.671
  132    HE2  LYS  16          2HE       LYS  16   5.379   6.130   4.005
  133    HE3  LYS  16          3HE       LYS  16   6.395   7.260   4.899
  134    HZ1  LYS  16          1HZ       LYS  16   4.914   5.127   6.299
  135    HZ2  LYS  16          2HZ       LYS  16   6.289   5.971   6.806
  136    HZ3  LYS  16          3HZ       LYS  16   6.413   4.810   5.582
  137    H    SER  17           H        SER  17   5.112  11.711   1.867
  138    HA   SER  17           HA       SER  17   5.897  13.841   3.422
  139    HB2  SER  17          2HB       SER  17   5.666  14.007   0.416
  140    HB3  SER  17          3HB       SER  17   6.845  14.804   1.457
  141    HG   SER  17           HG       SER  17   7.895  13.070   0.643
  142    H    ARG  18           H        ARG  18   3.542  14.030   0.746
  143    HA   ARG  18           HA       ARG  18   2.682  16.648   1.450
  144    HB2  ARG  18          2HB       ARG  18   2.338  14.915  -0.723
  145    HB3  ARG  18          3HB       ARG  18   0.721  15.167  -0.079
  146    HG2  ARG  18          2HG       ARG  18   0.851  17.503  -0.400
  147    HG3  ARG  18          3HG       ARG  18   2.588  17.434  -0.704
  148    HD2  ARG  18          2HD       ARG  18   1.955  17.492  -2.864
  149    HD3  ARG  18          3HD       ARG  18   1.689  15.765  -2.625
  150    HE   ARG  18           HE       ARG  18  -0.535  16.139  -2.936
  151   HH11  ARG  18          1HH1      ARG  18   0.954  19.126  -1.945
  152   HH12  ARG  18          2HH1      ARG  18  -0.496  20.058  -2.122
  153   HH21  ARG  18          1HH2      ARG  18  -2.450  17.355  -3.172
  154   HH22  ARG  18          2HH2      ARG  18  -2.431  19.050  -2.819
  Start of MODEL    7
    1    H1   VAL   1           H        VAL   1   0.696  -1.712  -2.209
    2    HA   VAL   1           HA       VAL   1   3.203  -3.098  -1.511
    3    HB   VAL   1           HB       VAL   1   2.409  -1.961  -4.195
    4   HG11  VAL   1          1HG1      VAL   1   4.941  -2.797  -3.079
    5   HG12  VAL   1          2HG1      VAL   1   4.514  -3.751  -4.501
    6   HG13  VAL   1          3HG1      VAL   1   4.596  -1.992  -4.610
    7   HG21  VAL   1          1HG2      VAL   1   2.430  -4.403  -4.855
    8   HG22  VAL   1          2HG2      VAL   1   2.429  -4.776  -3.131
    9   HG23  VAL   1          3HG2      VAL   1   1.082  -3.887  -3.842
   10    H    ALA   2           H        ALA   2   4.679  -1.849  -0.594
   11    HA   ALA   2           HA       ALA   2   4.732   1.017  -1.287
   12    HB1  ALA   2          1HB       ALA   2   4.117   0.100   1.151
   13    HB2  ALA   2          2HB       ALA   2   5.873   0.172   1.304
   14    HB3  ALA   2          3HB       ALA   2   4.965   1.623   0.880
   15    H    ARG   3           H        ARG   3   6.621  -1.852  -0.511
   16    HA   ARG   3           HA       ARG   3   9.181  -0.776  -0.557
   17    HB2  ARG   3          2HB       ARG   3   9.946  -3.040  -1.158
   18    HB3  ARG   3          3HB       ARG   3   8.751  -3.068   0.132
   19    HG2  ARG   3          2HG       ARG   3   7.844  -4.705  -1.105
   20    HG3  ARG   3          3HG       ARG   3   7.145  -3.361  -2.010
   21    HD2  ARG   3          2HD       ARG   3   8.185  -4.082  -3.833
   22    HD3  ARG   3          3HD       ARG   3   9.732  -3.782  -3.043
   23    HE   ARG   3           HE       ARG   3   9.969  -6.037  -2.725
   24   HH11  ARG   3          1HH1      ARG   3   6.659  -5.338  -3.547
   25   HH12  ARG   3          2HH1      ARG   3   6.211  -7.004  -3.712
   26   HH21  ARG   3          1HH2      ARG   3   9.392  -8.233  -2.938
   27   HH22  ARG   3          2HH2      ARG   3   7.767  -8.650  -3.364
   28    H    GLY   4           H        GLY   4   6.986  -1.453  -3.172
   29    HA2  GLY   4          2HA       GLY   4   9.102  -0.868  -5.134
   30    HA3  GLY   4          3HA       GLY   4   7.570  -1.650  -5.495
   31    H    TRP   5           H        TRP   5   6.264   0.449  -3.697
   32    HA   TRP   5           HA       TRP   5   5.709   2.305  -5.828
   33    HB2  TRP   5          2HB       TRP   5   4.057   1.337  -4.074
   34    HB3  TRP   5          3HB       TRP   5   4.690   2.596  -3.016
   35    HD1  TRP   5           HD1      TRP   5   2.395   2.059  -5.980
   36    HE1  TRP   5           HE1      TRP   5   1.201   4.270  -6.537
   37    HE3  TRP   5           HE3      TRP   5   5.046   5.201  -2.941
   38    HZ2  TRP   5           HZ2      TRP   5   1.363   6.987  -5.788
   39    HZ3  TRP   5           HZ3      TRP   5   4.464   7.592  -2.921
   40    HH2  TRP   5           HH2      TRP   5   2.660   8.464  -4.316
   41    H    GLY   6           H        GLY   6   7.752   2.208  -3.057
   42    HA2  GLY   6          2HA       GLY   6   8.083   5.110  -2.999
   43    HA3  GLY   6          3HA       GLY   6   8.803   3.959  -1.883
   44    H    ARG   7           H        ARG   7   8.989   3.410  -5.306
   45    HA   ARG   7           HA       ARG   7  11.831   4.189  -5.242
   46    HB2  ARG   7          2HB       ARG   7  10.705   1.636  -5.702
   47    HB3  ARG   7          3HB       ARG   7  11.313   2.206  -7.251
   48    HG2  ARG   7          2HG       ARG   7  13.512   2.480  -6.373
   49    HG3  ARG   7          3HG       ARG   7  12.949   2.176  -4.728
   50    HD2  ARG   7          2HD       ARG   7  13.915   0.153  -5.377
   51    HD3  ARG   7          3HD       ARG   7  12.187  -0.103  -5.617
   52    HE   ARG   7           HE       ARG   7  13.393   0.842  -7.997
   53   HH11  ARG   7          1HH1      ARG   7  13.104  -1.997  -6.004
   54   HH12  ARG   7          2HH1      ARG   7  13.347  -3.102  -7.317
   55   HH21  ARG   7          1HH2      ARG   7  13.715  -0.602  -9.733
   56   HH22  ARG   7          2HH2      ARG   7  13.696  -2.308  -9.437
   57    H    LYS   8           H        LYS   8   9.125   3.536  -7.469
   58    HA   LYS   8           HA       LYS   8  10.102   4.719  -9.748
   59    HB2  LYS   8          2HB       LYS   8   7.408   4.192  -8.655
   60    HB3  LYS   8          3HB       LYS   8   7.486   5.413  -9.919
   61    HG2  LYS   8          2HG       LYS   8   7.359   3.727 -11.359
   62    HG3  LYS   8          3HG       LYS   8   9.033   3.370 -10.925
   63    HD2  LYS   8          2HD       LYS   8   8.371   1.737  -9.343
   64    HD3  LYS   8          3HD       LYS   8   6.686   2.260  -9.401
   65    HE2  LYS   8          2HE       LYS   8   7.671   1.509 -12.019
   66    HE3  LYS   8          3HE       LYS   8   7.848   0.196 -10.857
   67    HZ1  LYS   8          1HZ       LYS   8   5.570   0.145 -10.457
   68    HZ2  LYS   8          2HZ       LYS   8   5.668   0.364 -12.131
   69    HZ3  LYS   8          3HZ       LYS   8   5.305   1.676 -11.127
   70    H    CYS   9           H        CYS   9   7.620   6.420  -7.869
   71    HA   CYS   9           HA       CYS   9   8.294   8.959  -8.825
   72    HB2  CYS   9          2HB       CYS   9   6.726   7.994  -6.452
   73    HB3  CYS   9          3HB       CYS   9   7.026   9.713  -6.679
   74    HG   CYS   9           HG       CYS   9   4.941   7.667  -8.332
   75    HA   PRO  10           HA       PRO  10  12.050   9.613  -6.518
   76    HB2  PRO  10          2HB       PRO  10  12.517  12.115  -7.463
   77    HB3  PRO  10          3HB       PRO  10  12.844  10.656  -8.405
   78    HG2  PRO  10          2HG       PRO  10  10.493  12.505  -8.531
   79    HG3  PRO  10          3HG       PRO  10  11.406  11.764  -9.859
   80    HD2  PRO  10          2HD       PRO  10   9.022  10.799  -9.013
   81    HD3  PRO  10          3HD       PRO  10  10.299   9.751  -9.663
   82    H    LEU  11           H        LEU  11   9.740  12.323  -6.808
   83    HA   LEU  11           HA       LEU  11  10.338  13.059  -4.032
   84    HB2  LEU  11          2HB       LEU  11   9.642  15.213  -4.512
   85    HB3  LEU  11          3HB       LEU  11  10.439  14.708  -6.001
   86    HG   LEU  11           HG       LEU  11   7.823  14.034  -6.475
   87   HD11  LEU  11          1HD1      LEU  11   7.399  15.361  -4.283
   88   HD12  LEU  11          2HD1      LEU  11   6.368  15.640  -5.685
   89   HD13  LEU  11          3HD1      LEU  11   7.660  16.776  -5.302
   90   HD21  LEU  11          1HD2      LEU  11   8.911  15.038  -8.216
   91   HD22  LEU  11          2HD2      LEU  11   9.596  16.309  -7.204
   92   HD23  LEU  11          3HD2      LEU  11   7.899  16.378  -7.679
   93    H    PHE  12           H        PHE  12   7.915  11.672  -6.024
   94    HA   PHE  12           HA       PHE  12   5.852  12.073  -3.978
   95    HB2  PHE  12          2HB       PHE  12   5.820  11.845  -6.855
   96    HB3  PHE  12          3HB       PHE  12   4.766  10.632  -6.136
   97    HD1  PHE  12           HD1      PHE  12   2.656  11.469  -6.711
   98    HD2  PHE  12           HD2      PHE  12   5.492  14.007  -4.805
   99    HE1  PHE  12           HE1      PHE  12   0.911  13.174  -6.394
  100    HE2  PHE  12           HE2      PHE  12   3.751  15.716  -4.484
  101    HZ   PHE  12           HZ       PHE  12   1.457  15.301  -5.278
  102    H    GLY  13           H        GLY  13   8.245   9.954  -4.571
  103    HA2  GLY  13          2HA       GLY  13   7.222   7.406  -4.613
  104    HA3  GLY  13          3HA       GLY  13   8.678   7.854  -3.737
  105    H    LYS  14           H        LYS  14   7.013   9.714  -2.040
  106    HA   LYS  14           HA       LYS  14   5.741   7.661  -0.351
  107    HB2  LYS  14          2HB       LYS  14   6.441   9.215   1.577
  108    HB3  LYS  14          3HB       LYS  14   7.682   8.213   0.836
  109    HG2  LYS  14          2HG       LYS  14   8.681  10.010  -0.230
  110    HG3  LYS  14          3HG       LYS  14   7.234  11.014  -0.110
  111    HD2  LYS  14          2HD       LYS  14   7.601  10.876   2.431
  112    HD3  LYS  14          3HD       LYS  14   9.224  10.312   2.026
  113    HE2  LYS  14          2HE       LYS  14   8.155  12.805   0.771
  114    HE3  LYS  14          3HE       LYS  14   8.779  12.853   2.419
  115    HZ1  LYS  14          1HZ       LYS  14  10.871  11.931   1.591
  116    HZ2  LYS  14          2HZ       LYS  14  10.505  13.407   0.850
  117    HZ3  LYS  14          3HZ       LYS  14  10.269  11.957   0.010
  118    H    ASN  15           H        ASN  15   3.697   8.158  -1.242
  119    HA   ASN  15           HA       ASN  15   2.502  10.581  -1.614
  120    HB2  ASN  15          2HB       ASN  15   0.360   9.480  -1.277
  121    HB3  ASN  15          3HB       ASN  15   1.453   8.396  -2.131
  122   HD21  ASN  15          1HD2      ASN  15   2.151   6.537  -1.150
  123   HD22  ASN  15          2HD2      ASN  15   1.493   5.952   0.336
  124    H    LYS  16           H        LYS  16   2.888   8.846   1.437
  125    HA   LYS  16           HA       LYS  16   1.310  10.247   3.153
  126    HB2  LYS  16          2HB       LYS  16   4.169   9.424   3.696
  127    HB3  LYS  16          3HB       LYS  16   2.946   9.764   4.914
  128    HG2  LYS  16          2HG       LYS  16   2.788   7.547   2.882
  129    HG3  LYS  16          3HG       LYS  16   3.306   7.358   4.560
  130    HD2  LYS  16          2HD       LYS  16   1.074   8.306   5.239
  131    HD3  LYS  16          3HD       LYS  16   0.588   8.179   3.547
  132    HE2  LYS  16          2HE       LYS  16   0.288   5.964   3.688
  133    HE3  LYS  16          3HE       LYS  16   1.778   5.731   4.602
  134    HZ1  LYS  16          1HZ       LYS  16  -0.774   5.540   5.573
  135    HZ2  LYS  16          2HZ       LYS  16  -0.228   7.031   6.157
  136    HZ3  LYS  16          3HZ       LYS  16   0.644   5.621   6.492
  137    H    SER  17           H        SER  17   4.329  11.315   1.712
  138    HA   SER  17           HA       SER  17   4.966  13.502   3.248
  139    HB2  SER  17          2HB       SER  17   5.997  12.498   1.000
  140    HB3  SER  17          3HB       SER  17   5.115  13.850   0.291
  141    HG   SER  17           HG       SER  17   6.243  15.232   1.724
  142    H    ARG  18           H        ARG  18   2.963  13.630   0.294
  143    HA   ARG  18           HA       ARG  18   1.796  16.136   1.281
  144    HB2  ARG  18          2HB       ARG  18   2.253  14.974  -1.422
  145    HB3  ARG  18          3HB       ARG  18   0.849  16.012  -1.210
  146    HG2  ARG  18          2HG       ARG  18   3.586  16.881  -0.352
  147    HG3  ARG  18          3HG       ARG  18   3.021  17.083  -2.012
  148    HD2  ARG  18          2HD       ARG  18   1.080  18.349  -1.160
  149    HD3  ARG  18          3HD       ARG  18   1.726  18.198   0.473
  150    HE   ARG  18           HE       ARG  18   2.563  20.041  -1.539
  151   HH11  ARG  18          1HH1      ARG  18   3.646  18.196   1.208
  152   HH12  ARG  18          2HH1      ARG  18   4.942  19.281   1.589
  153   HH21  ARG  18          1HH2      ARG  18   4.266  21.476  -1.047
  154   HH22  ARG  18          2HH2      ARG  18   5.293  21.147   0.307
  Start of MODEL    8
    1    H1   VAL   1           H        VAL   1   1.611  -3.754  -1.703
    2    HA   VAL   1           HA       VAL   1   2.735  -2.633  -3.769
    3    HB   VAL   1           HB       VAL   1   0.919  -1.039  -4.060
    4   HG11  VAL   1          1HG1      VAL   1   0.589  -3.568  -4.227
    5   HG12  VAL   1          2HG1      VAL   1  -0.265  -3.434  -2.688
    6   HG13  VAL   1          3HG1      VAL   1  -0.857  -2.567  -4.106
    7   HG21  VAL   1          1HG2      VAL   1  -0.001   0.035  -2.349
    8   HG22  VAL   1          2HG2      VAL   1  -0.584  -1.487  -1.674
    9   HG23  VAL   1          3HG2      VAL   1   1.017  -0.886  -1.242
   10    H    ALA   2           H        ALA   2   4.389  -2.030  -1.430
   11    HA   ALA   2           HA       ALA   2   4.737   0.868  -1.846
   12    HB1  ALA   2          1HB       ALA   2   4.999   1.228   0.351
   13    HB2  ALA   2          2HB       ALA   2   4.166  -0.316   0.535
   14    HB3  ALA   2          3HB       ALA   2   5.928  -0.253   0.585
   15    H    ARG   3           H        ARG   3   6.339  -2.240  -1.380
   16    HA   ARG   3           HA       ARG   3   8.991  -1.457  -1.454
   17    HB2  ARG   3          2HB       ARG   3   9.478  -3.713  -2.313
   18    HB3  ARG   3          3HB       ARG   3   8.321  -3.750  -0.989
   19    HG2  ARG   3          2HG       ARG   3   6.546  -3.747  -2.882
   20    HG3  ARG   3          3HG       ARG   3   7.890  -4.283  -3.893
   21    HD2  ARG   3          2HD       ARG   3   7.473  -5.665  -1.300
   22    HD3  ARG   3          3HD       ARG   3   6.317  -5.986  -2.591
   23    HE   ARG   3           HE       ARG   3   8.939  -6.223  -3.590
   24   HH11  ARG   3          1HH1      ARG   3   6.689  -7.846  -1.488
   25   HH12  ARG   3          2HH1      ARG   3   7.358  -9.419  -1.771
   26   HH21  ARG   3          1HH2      ARG   3   9.830  -8.288  -3.970
   27   HH22  ARG   3          2HH2      ARG   3   9.146  -9.669  -3.182
   28    H    GLY   4           H        GLY   4   6.672  -1.720  -4.062
   29    HA2  GLY   4          2HA       GLY   4   8.784  -0.937  -5.972
   30    HA3  GLY   4          3HA       GLY   4   7.318  -1.799  -6.413
   31    H    TRP   5           H        TRP   5   6.976   0.724  -4.114
   32    HA   TRP   5           HA       TRP   5   5.867   2.467  -6.216
   33    HB2  TRP   5          2HB       TRP   5   4.306   1.370  -4.446
   34    HB3  TRP   5          3HB       TRP   5   4.973   2.577  -3.351
   35    HD1  TRP   5           HD1      TRP   5   2.550   2.172  -6.232
   36    HE1  TRP   5           HE1      TRP   5   1.308   4.394  -6.613
   37    HE3  TRP   5           HE3      TRP   5   5.305   5.179  -3.150
   38    HZ2  TRP   5           HZ2      TRP   5   1.476   7.068  -5.725
   39    HZ3  TRP   5           HZ3      TRP   5   4.699   7.557  -2.973
   40    HH2  TRP   5           HH2      TRP   5   2.824   8.480  -4.235
   41    H    GLY   6           H        GLY   6   8.039   2.198  -3.559
   42    HA2  GLY   6          2HA       GLY   6   8.353   5.089  -3.302
   43    HA3  GLY   6          3HA       GLY   6   9.149   3.864  -2.324
   44    H    ARG   7           H        ARG   7   9.171   3.470  -5.751
   45    HA   ARG   7           HA       ARG   7  11.975   4.376  -5.821
   46    HB2  ARG   7          2HB       ARG   7  10.684   1.900  -6.893
   47    HB3  ARG   7          3HB       ARG   7  12.067   2.578  -7.742
   48    HG2  ARG   7          2HG       ARG   7  12.601   2.427  -4.923
   49    HG3  ARG   7          3HG       ARG   7  12.093   0.856  -5.547
   50    HD2  ARG   7          2HD       ARG   7  13.775   1.241  -7.420
   51    HD3  ARG   7          3HD       ARG   7  14.400   2.565  -6.437
   52    HE   ARG   7           HE       ARG   7  15.425   1.022  -5.107
   53   HH11  ARG   7          1HH1      ARG   7  12.892  -0.558  -6.899
   54   HH12  ARG   7          2HH1      ARG   7  13.309  -2.145  -6.342
   55   HH21  ARG   7          1HH2      ARG   7  15.983  -1.062  -4.366
   56   HH22  ARG   7          2HH2      ARG   7  15.067  -2.430  -4.901
   57    H    LYS   8           H        LYS   8   9.108   3.750  -7.832
   58    HA   LYS   8           HA       LYS   8   9.897   4.969 -10.172
   59    HB2  LYS   8          2HB       LYS   8   7.307   4.406  -8.869
   60    HB3  LYS   8          3HB       LYS   8   7.272   5.655 -10.106
   61    HG2  LYS   8          2HG       LYS   8   7.027   3.999 -11.566
   62    HG3  LYS   8          3HG       LYS   8   8.735   3.648 -11.290
   63    HD2  LYS   8          2HD       LYS   8   8.115   2.086  -9.502
   64    HD3  LYS   8          3HD       LYS   8   6.410   2.431  -9.797
   65    HE2  LYS   8          2HE       LYS   8   7.452   1.765 -12.293
   66    HE3  LYS   8          3HE       LYS   8   8.194   0.622 -11.175
   67    HZ1  LYS   8          1HZ       LYS   8   5.487   0.770 -12.095
   68    HZ2  LYS   8          2HZ       LYS   8   5.584   0.688 -10.408
   69    HZ3  LYS   8          3HZ       LYS   8   6.305  -0.513 -11.356
   70    H    CYS   9           H        CYS   9   7.582   6.621  -8.050
   71    HA   CYS   9           HA       CYS   9   8.198   9.183  -9.012
   72    HB2  CYS   9          2HB       CYS   9   6.744   8.163  -6.593
   73    HB3  CYS   9          3HB       CYS   9   7.052   9.886  -6.775
   74    HG   CYS   9           HG       CYS   9   5.668  10.084  -9.213
   75    HA   PRO  10           HA       PRO  10  12.066   9.796  -6.893
   76    HB2  PRO  10          2HB       PRO  10  12.465  12.334  -7.772
   77    HB3  PRO  10          3HB       PRO  10  12.746  10.912  -8.784
   78    HG2  PRO  10          2HG       PRO  10  10.381  12.747  -8.709
   79    HG3  PRO  10          3HG       PRO  10  11.221  12.060 -10.112
   80    HD2  PRO  10          2HD       PRO  10   8.894  11.047  -9.167
   81    HD3  PRO  10          3HD       PRO  10  10.138  10.033  -9.926
   82    H    LEU  11           H        LEU  11   9.722  12.491  -6.951
   83    HA   LEU  11           HA       LEU  11  10.475  13.135  -4.190
   84    HB2  LEU  11          2HB       LEU  11   9.749  15.299  -4.552
   85    HB3  LEU  11          3HB       LEU  11  10.453  14.852  -6.104
   86    HG   LEU  11           HG       LEU  11   7.817  14.182  -6.445
   87   HD11  LEU  11          1HD1      LEU  11   7.735  16.865  -5.125
   88   HD12  LEU  11          2HD1      LEU  11   7.492  15.393  -4.186
   89   HD13  LEU  11          3HD1      LEU  11   6.408  15.774  -5.524
   90   HD21  LEU  11          1HD2      LEU  11   9.298  16.725  -7.088
   91   HD22  LEU  11          2HD2      LEU  11   7.717  16.315  -7.753
   92   HD23  LEU  11          3HD2      LEU  11   9.114  15.296  -8.106
   93    H    PHE  12           H        PHE  12   7.961  11.783  -6.083
   94    HA   PHE  12           HA       PHE  12   6.015  12.096  -3.909
   95    HB2  PHE  12          2HB       PHE  12   5.812  11.996  -6.785
   96    HB3  PHE  12          3HB       PHE  12   4.808  10.744  -6.060
   97    HD1  PHE  12           HD1      PHE  12   2.662  11.587  -6.463
   98    HD2  PHE  12           HD2      PHE  12   5.598  14.066  -4.632
   99    HE1  PHE  12           HE1      PHE  12   0.931  13.264  -5.966
  100    HE2  PHE  12           HE2      PHE  12   3.872  15.746  -4.131
  101    HZ   PHE  12           HZ       PHE  12   1.535  15.346  -4.798
  102    H    GLY  13           H        GLY  13   8.377  10.022  -4.728
  103    HA2  GLY  13          2HA       GLY  13   7.364   7.471  -4.826
  104    HA3  GLY  13          3HA       GLY  13   8.865   7.890  -4.014
  105    H    LYS  14           H        LYS  14   7.288   9.663  -2.147
  106    HA   LYS  14           HA       LYS  14   6.122   7.528  -0.482
  107    HB2  LYS  14          2HB       LYS  14   6.924   8.997   1.471
  108    HB3  LYS  14          3HB       LYS  14   8.125   8.038   0.617
  109    HG2  LYS  14          2HG       LYS  14   8.859   9.974  -0.617
  110    HG3  LYS  14          3HG       LYS  14   7.581  10.955   0.105
  111    HD2  LYS  14          2HD       LYS  14   8.570  10.642   2.311
  112    HD3  LYS  14          3HD       LYS  14   9.827   9.616   1.615
  113    HE2  LYS  14          2HE       LYS  14   9.781  12.050   0.160
  114    HE3  LYS  14          3HE       LYS  14   9.776  12.450   1.877
  115    HZ1  LYS  14          1HZ       LYS  14  11.991  12.222   1.574
  116    HZ2  LYS  14          2HZ       LYS  14  11.836  11.146   0.279
  117    HZ3  LYS  14          3HZ       LYS  14  11.644  10.592   1.865
  118    H    ASN  15           H        ASN  15   4.029   8.052  -1.234
  119    HA   ASN  15           HA       ASN  15   2.800  10.473  -1.440
  120    HB2  ASN  15          2HB       ASN  15   0.689   9.348  -1.002
  121    HB3  ASN  15          3HB       ASN  15   1.731   8.296  -1.956
  122   HD21  ASN  15          1HD2      ASN  15   2.767   6.536  -0.911
  123   HD22  ASN  15          2HD2      ASN  15   2.102   5.855   0.531
  124    H    LYS  16           H        LYS  16   3.380   8.642   1.525
  125    HA   LYS  16           HA       LYS  16   1.915   9.965   3.386
  126    HB2  LYS  16          2HB       LYS  16   3.668   8.089   3.679
  127    HB3  LYS  16          3HB       LYS  16   4.822   9.397   3.909
  128    HG2  LYS  16          2HG       LYS  16   4.274   9.363   6.056
  129    HG3  LYS  16          3HG       LYS  16   2.713  10.043   5.591
  130    HD2  LYS  16          2HD       LYS  16   1.941   8.199   6.660
  131    HD3  LYS  16          3HD       LYS  16   2.230   7.456   5.085
  132    HE2  LYS  16          2HE       LYS  16   4.577   6.943   5.972
  133    HE3  LYS  16          3HE       LYS  16   3.921   7.327   7.563
  134    HZ1  LYS  16          1HZ       LYS  16   2.200   5.619   7.155
  135    HZ2  LYS  16          2HZ       LYS  16   3.767   4.986   7.213
  136    HZ3  LYS  16          3HZ       LYS  16   2.992   5.192   5.723
  137    H    SER  17           H        SER  17   4.871  11.111   1.849
  138    HA   SER  17           HA       SER  17   5.505  13.286   3.400
  139    HB2  SER  17          2HB       SER  17   6.430  12.320   1.046
  140    HB3  SER  17          3HB       SER  17   5.604  13.772   0.480
  141    HG   SER  17           HG       SER  17   7.355  13.882   2.683
  142    H    ARG  18           H        ARG  18   3.334  13.329   0.569
  143    HA   ARG  18           HA       ARG  18   2.049  15.718   1.721
  144    HB2  ARG  18          2HB       ARG  18   3.236  15.342  -0.843
  145    HB3  ARG  18          3HB       ARG  18   1.502  15.524  -1.069
  146    HG2  ARG  18          2HG       ARG  18   2.859  17.448   0.731
  147    HG3  ARG  18          3HG       ARG  18   3.146  17.596  -1.004
  148    HD2  ARG  18          2HD       ARG  18   0.350  17.183  -0.495
  149    HD3  ARG  18          3HD       ARG  18   0.946  18.536   0.466
  150    HE   ARG  18           HE       ARG  18   1.856  18.743  -2.205
  151   HH11  ARG  18          1HH1      ARG  18  -0.994  19.125  -0.242
  152   HH12  ARG  18          2HH1      ARG  18  -1.714  20.305  -1.286
  153   HH21  ARG  18          1HH2      ARG  18   0.919  20.296  -3.587
  154   HH22  ARG  18          2HH2      ARG  18  -0.625  20.970  -3.189
  Start of MODEL    9
    1    H1   VAL   1           H        VAL   1   0.777  -0.884  -2.167
    2    HA   VAL   1           HA       VAL   1   2.401  -2.586  -0.569
    3    HB   VAL   1           HB       VAL   1   4.098  -3.116  -2.321
    4   HG11  VAL   1          1HG1      VAL   1   3.013  -5.092  -3.090
    5   HG12  VAL   1          2HG1      VAL   1   2.376  -4.738  -1.483
    6   HG13  VAL   1          3HG1      VAL   1   1.419  -4.357  -2.915
    7   HG21  VAL   1          1HG2      VAL   1   3.598  -2.955  -4.629
    8   HG22  VAL   1          2HG2      VAL   1   1.918  -2.523  -4.310
    9   HG23  VAL   1          3HG2      VAL   1   3.208  -1.382  -3.931
   10    H    ALA   2           H        ALA   2   4.532  -1.720  -0.215
   11    HA   ALA   2           HA       ALA   2   4.785   1.096  -1.053
   12    HB1  ALA   2          1HB       ALA   2   5.214   1.769   1.053
   13    HB2  ALA   2          2HB       ALA   2   4.342   0.298   1.487
   14    HB3  ALA   2          3HB       ALA   2   6.105   0.301   1.455
   15    H    ARG   3           H        ARG   3   6.468  -1.904  -0.292
   16    HA   ARG   3           HA       ARG   3   9.100  -1.103  -0.598
   17    HB2  ARG   3          2HB       ARG   3   9.510  -3.480  -1.350
   18    HB3  ARG   3          3HB       ARG   3   8.666  -3.305   0.183
   19    HG2  ARG   3          2HG       ARG   3   6.659  -4.045  -0.684
   20    HG3  ARG   3          3HG       ARG   3   7.110  -3.641  -2.342
   21    HD2  ARG   3          2HD       ARG   3   8.257  -5.578  -2.647
   22    HD3  ARG   3          3HD       ARG   3   8.762  -5.670  -0.960
   23    HE   ARG   3           HE       ARG   3   6.900  -6.924  -0.506
   24   HH11  ARG   3          1HH1      ARG   3   6.519  -5.388  -3.607
   25   HH12  ARG   3          2HH1      ARG   3   5.076  -6.260  -4.008
   26   HH21  ARG   3          1HH2      ARG   3   5.001  -8.078  -1.021
   27   HH22  ARG   3          2HH2      ARG   3   4.213  -7.789  -2.536
   28    H    GLY   4           H        GLY   4   6.636  -1.587  -3.007
   29    HA2  GLY   4          2HA       GLY   4   8.634  -1.220  -5.143
   30    HA3  GLY   4          3HA       GLY   4   7.029  -1.902  -5.367
   31    H    TRP   5           H        TRP   5   6.020   0.323  -3.524
   32    HA   TRP   5           HA       TRP   5   5.452   2.179  -5.661
   33    HB2  TRP   5          2HB       TRP   5   3.852   1.327  -3.780
   34    HB3  TRP   5          3HB       TRP   5   4.599   2.596  -2.814
   35    HD1  TRP   5           HD1      TRP   5   2.126   2.050  -5.630
   36    HE1  TRP   5           HE1      TRP   5   1.002   4.290  -6.216
   37    HE3  TRP   5           HE3      TRP   5   5.069   5.181  -2.862
   38    HZ2  TRP   5           HZ2      TRP   5   1.322   7.023  -5.587
   39    HZ3  TRP   5           HZ3      TRP   5   4.594   7.595  -2.909
   40    HH2  TRP   5           HH2      TRP   5   2.759   8.495  -4.244
   41    H    GLY   6           H        GLY   6   7.643   1.970  -3.018
   42    HA2  GLY   6          2HA       GLY   6   8.142   4.844  -2.968
   43    HA3  GLY   6          3HA       GLY   6   8.887   3.639  -1.928
   44    H    ARG   7           H        ARG   7   8.827   2.926  -5.282
   45    HA   ARG   7           HA       ARG   7  11.654   3.730  -5.505
   46    HB2  ARG   7          2HB       ARG   7  11.652   1.363  -5.382
   47    HB3  ARG   7          3HB       ARG   7  10.266   1.231  -6.456
   48    HG2  ARG   7          2HG       ARG   7  11.526   1.361  -8.312
   49    HG3  ARG   7          3HG       ARG   7  12.628   2.546  -7.609
   50    HD2  ARG   7          2HD       ARG   7  12.859  -0.011  -6.289
   51    HD3  ARG   7          3HD       ARG   7  13.111  -0.168  -8.027
   52    HE   ARG   7           HE       ARG   7  14.841   1.126  -6.136
   53   HH11  ARG   7          1HH1      ARG   7  13.858   0.978  -9.472
   54   HH12  ARG   7          2HH1      ARG   7  15.349   1.622 -10.076
   55   HH21  ARG   7          1HH2      ARG   7  16.809   1.974  -6.918
   56   HH22  ARG   7          2HH2      ARG   7  17.027   2.187  -8.622
   57    H    LYS   8           H        LYS   8   8.675   3.069  -7.318
   58    HA   LYS   8           HA       LYS   8   9.428   3.936  -9.824
   59    HB2  LYS   8          2HB       LYS   8   6.880   3.706  -8.355
   60    HB3  LYS   8          3HB       LYS   8   6.859   4.826  -9.711
   61    HG2  LYS   8          2HG       LYS   8   8.014   2.779 -10.935
   62    HG3  LYS   8          3HG       LYS   8   7.154   1.878  -9.684
   63    HD2  LYS   8          2HD       LYS   8   5.226   2.121 -10.767
   64    HD3  LYS   8          3HD       LYS   8   5.430   3.873 -10.823
   65    HE2  LYS   8          2HE       LYS   8   7.075   3.359 -12.764
   66    HE3  LYS   8          3HE       LYS   8   6.251   1.802 -12.824
   67    HZ1  LYS   8          1HZ       LYS   8   5.177   3.245 -14.345
   68    HZ2  LYS   8          2HZ       LYS   8   5.050   4.487 -13.204
   69    HZ3  LYS   8          3HZ       LYS   8   4.135   3.076 -13.023
   70    H    CYS   9           H        CYS   9   7.351   5.994  -7.812
   71    HA   CYS   9           HA       CYS   9   8.131   8.371  -9.105
   72    HB2  CYS   9          2HB       CYS   9   6.620   7.749  -6.592
   73    HB3  CYS   9          3HB       CYS   9   7.082   9.410  -6.942
   74    HG   CYS   9           HG       CYS   9   5.828   8.847  -9.671
   75    HA   PRO  10           HA       PRO  10  12.062   8.935  -7.095
   76    HB2  PRO  10          2HB       PRO  10  12.629  11.325  -8.252
   77    HB3  PRO  10          3HB       PRO  10  12.790   9.784  -9.102
   78    HG2  PRO  10          2HG       PRO  10  10.566  11.785  -9.212
   79    HG3  PRO  10          3HG       PRO  10  11.330  10.888 -10.537
   80    HD2  PRO  10          2HD       PRO  10   8.952  10.159  -9.467
   81    HD3  PRO  10          3HD       PRO  10  10.107   8.980 -10.119
   82    H    LEU  11           H        LEU  11   9.915  11.770  -7.430
   83    HA   LEU  11           HA       LEU  11  10.746  12.641  -4.752
   84    HB2  LEU  11          2HB       LEU  11  10.467  14.775  -5.411
   85    HB3  LEU  11          3HB       LEU  11  10.679  14.072  -7.013
   86    HG   LEU  11           HG       LEU  11   7.999  14.627  -5.745
   87   HD11  LEU  11          1HD1      LEU  11   9.236  16.225  -7.956
   88   HD12  LEU  11          2HD1      LEU  11   9.510  16.639  -6.264
   89   HD13  LEU  11          3HD1      LEU  11   7.871  16.633  -6.916
   90   HD21  LEU  11          1HD2      LEU  11   7.045  14.044  -7.778
   91   HD22  LEU  11          2HD2      LEU  11   8.316  12.837  -7.581
   92   HD23  LEU  11          3HD2      LEU  11   8.565  14.213  -8.656
   93    H    PHE  12           H        PHE  12   8.212  11.126  -6.378
   94    HA   PHE  12           HA       PHE  12   6.279  11.893  -4.295
   95    HB2  PHE  12          2HB       PHE  12   6.035  11.398  -7.163
   96    HB3  PHE  12          3HB       PHE  12   4.860  10.492  -6.215
   97    HD1  PHE  12           HD1      PHE  12   6.210  13.779  -5.254
   98    HD2  PHE  12           HD2      PHE  12   2.921  11.657  -6.927
   99    HE1  PHE  12           HE1      PHE  12   4.815  15.797  -5.063
  100    HE2  PHE  12           HE2      PHE  12   1.521  13.672  -6.740
  101    HZ   PHE  12           HZ       PHE  12   2.468  15.746  -5.808
  102    H    GLY  13           H        GLY  13   8.459   9.565  -4.920
  103    HA2  GLY  13          2HA       GLY  13   7.236   7.108  -4.754
  104    HA3  GLY  13          3HA       GLY  13   8.785   7.478  -4.011
  105    H    LYS  14           H        LYS  14   7.383   9.556  -2.315
  106    HA   LYS  14           HA       LYS  14   6.102   7.697  -0.420
  107    HB2  LYS  14          2HB       LYS  14   7.052   9.265   1.366
  108    HB3  LYS  14          3HB       LYS  14   8.180   8.179   0.567
  109    HG2  LYS  14          2HG       LYS  14   9.053   9.934  -0.772
  110    HG3  LYS  14          3HG       LYS  14   7.768  11.036  -0.274
  111    HD2  LYS  14          2HD       LYS  14   9.104  11.750   1.356
  112    HD3  LYS  14          3HD       LYS  14   8.968  10.154   2.098
  113    HE2  LYS  14          2HE       LYS  14  10.976   9.429   1.214
  114    HE3  LYS  14          3HE       LYS  14  10.936  10.599  -0.105
  115    HZ1  LYS  14          1HZ       LYS  14  12.468  10.877   2.038
  116    HZ2  LYS  14          2HZ       LYS  14  11.093  11.698   2.582
  117    HZ3  LYS  14          3HZ       LYS  14  11.867  12.194   1.162
  118    H    ASN  15           H        ASN  15   4.039   8.298  -1.205
  119    HA   ASN  15           HA       ASN  15   3.025  10.823  -1.586
  120    HB2  ASN  15          2HB       ASN  15   1.978   8.254  -1.487
  121    HB3  ASN  15          3HB       ASN  15   1.110   9.106  -0.212
  122   HD21  ASN  15          1HD2      ASN  15  -0.126   8.134  -2.495
  123   HD22  ASN  15          2HD2      ASN  15  -0.690   9.469  -3.436
  124    H    LYS  16           H        LYS  16   3.761   9.214   1.407
  125    HA   LYS  16           HA       LYS  16   2.253  10.505   3.276
  126    HB2  LYS  16          2HB       LYS  16   4.038  10.140   4.857
  127    HB3  LYS  16          3HB       LYS  16   3.968   8.771   3.755
  128    HG2  LYS  16          2HG       LYS  16   5.775  10.227   2.459
  129    HG3  LYS  16          3HG       LYS  16   6.060  10.836   4.091
  130    HD2  LYS  16          2HD       LYS  16   5.951   7.896   3.464
  131    HD3  LYS  16          3HD       LYS  16   7.444   8.831   3.351
  132    HE2  LYS  16          2HE       LYS  16   7.746   8.516   5.529
  133    HE3  LYS  16          3HE       LYS  16   6.304   9.484   5.830
  134    HZ1  LYS  16          1HZ       LYS  16   6.109   7.352   6.900
  135    HZ2  LYS  16          2HZ       LYS  16   6.390   6.541   5.442
  136    HZ3  LYS  16          3HZ       LYS  16   4.977   7.448   5.645
  137    H    SER  17           H        SER  17   5.069  11.774   1.572
  138    HA   SER  17           HA       SER  17   5.584  14.071   2.988
  139    HB2  SER  17          2HB       SER  17   5.552  14.035  -0.028
  140    HB3  SER  17          3HB       SER  17   6.632  14.928   1.042
  141    HG   SER  17           HG       SER  17   7.832  13.227   0.472
  142    H    ARG  18           H        ARG  18   3.486  13.954   0.102
  143    HA   ARG  18           HA       ARG  18   1.776  15.298  -0.578
  144    HB2  ARG  18          2HB       ARG  18   0.885  14.089   1.535
  145    HB3  ARG  18          3HB       ARG  18   1.058  15.655   2.316
  146    HG2  ARG  18          2HG       ARG  18  -0.330  16.490   0.256
  147    HG3  ARG  18          3HG       ARG  18  -0.827  14.798   0.183
  148    HD2  ARG  18          2HD       ARG  18  -2.445  15.815   1.528
  149    HD3  ARG  18          3HD       ARG  18  -1.354  15.038   2.674
  150    HE   ARG  18           HE       ARG  18  -0.456  17.644   2.311
  151   HH11  ARG  18          1HH1      ARG  18  -3.261  16.007   3.565
  152   HH12  ARG  18          2HH1      ARG  18  -3.643  17.257   4.702
  153   HH21  ARG  18          1HH2      ARG  18  -0.949  19.296   3.804
  154   HH22  ARG  18          2HH2      ARG  18  -2.328  19.128   4.836
  Start of MODEL   10
    1    H1   VAL   1           H        VAL   1   2.293  -0.459   1.938
    2    HA   VAL   1           HA       VAL   1   3.867  -2.006  -0.006
    3    HB   VAL   1           HB       VAL   1   1.760   0.074  -0.597
    4   HG11  VAL   1          1HG1      VAL   1   3.714  -0.945  -2.227
    5   HG12  VAL   1          2HG1      VAL   1   2.334  -1.987  -2.581
    6   HG13  VAL   1          3HG1      VAL   1   2.192  -0.239  -2.769
    7   HG21  VAL   1          1HG2      VAL   1   0.463  -2.063  -1.291
    8   HG22  VAL   1          2HG2      VAL   1   1.562  -2.883  -0.182
    9   HG23  VAL   1          3HG2      VAL   1   0.509  -1.598   0.410
   10    H    ALA   2           H        ALA   2   5.855  -1.034   0.707
   11    HA   ALA   2           HA       ALA   2   6.189   1.730  -0.264
   12    HB1  ALA   2          1HB       ALA   2   8.249   0.936   1.591
   13    HB2  ALA   2          2HB       ALA   2   7.160   2.323   1.645
   14    HB3  ALA   2          3HB       ALA   2   6.648   0.774   2.314
   15    H    ARG   3           H        ARG   3   7.592  -1.488  -0.005
   16    HA   ARG   3           HA       ARG   3  10.065  -1.099  -1.160
   17    HB2  ARG   3          2HB       ARG   3   9.790  -3.472  -2.026
   18    HB3  ARG   3          3HB       ARG   3   9.579  -3.245  -0.295
   19    HG2  ARG   3          2HG       ARG   3   7.329  -3.665  -0.371
   20    HG3  ARG   3          3HG       ARG   3   7.181  -3.153  -2.054
   21    HD2  ARG   3          2HD       ARG   3   8.937  -5.375  -1.979
   22    HD3  ARG   3          3HD       ARG   3   7.523  -5.779  -1.007
   23    HE   ARG   3           HE       ARG   3   6.710  -4.632  -3.451
   24   HH11  ARG   3          1HH1      ARG   3   8.087  -7.550  -2.144
   25   HH12  ARG   3          2HH1      ARG   3   7.439  -8.568  -3.388
   26   HH21  ARG   3          1HH2      ARG   3   5.852  -5.961  -5.094
   27   HH22  ARG   3          2HH2      ARG   3   6.169  -7.663  -5.066
   28    H    GLY   4           H        GLY   4   6.918  -1.114  -2.664
   29    HA2  GLY   4          2HA       GLY   4   8.222  -0.737  -5.290
   30    HA3  GLY   4          3HA       GLY   4   6.641  -1.477  -5.085
   31    H    TRP   5           H        TRP   5   7.106   1.107  -2.970
   32    HA   TRP   5           HA       TRP   5   5.679   2.923  -4.801
   33    HB2  TRP   5          2HB       TRP   5   4.587   1.840  -2.574
   34    HB3  TRP   5          3HB       TRP   5   5.305   3.296  -1.889
   35    HD1  TRP   5           HD1      TRP   5   2.567   2.157  -4.303
   36    HE1  TRP   5           HE1      TRP   5   0.988   4.139  -4.752
   37    HE3  TRP   5           HE3      TRP   5   5.211   5.849  -1.955
   38    HZ2  TRP   5           HZ2      TRP   5   0.878   6.903  -4.187
   39    HZ3  TRP   5           HZ3      TRP   5   4.300   8.135  -1.955
   40    HH2  TRP   5           HH2      TRP   5   2.179   8.649  -3.049
   41    H    GLY   6           H        GLY   6   8.466   2.430  -3.019
   42    HA2  GLY   6          2HA       GLY   6   8.977   5.333  -2.833
   43    HA3  GLY   6          3HA       GLY   6   9.731   4.131  -1.797
   44    H    ARG   7           H        ARG   7   9.373   3.348  -5.129
   45    HA   ARG   7           HA       ARG   7  12.228   3.938  -5.566
   46    HB2  ARG   7          2HB       ARG   7  12.108   1.590  -5.410
   47    HB3  ARG   7          3HB       ARG   7  10.602   1.521  -6.315
   48    HG2  ARG   7          2HG       ARG   7  12.473   0.697  -7.633
   49    HG3  ARG   7          3HG       ARG   7  11.778   2.152  -8.350
   50    HD2  ARG   7          2HD       ARG   7  13.663   3.333  -8.066
   51    HD3  ARG   7          3HD       ARG   7  13.939   2.678  -6.452
   52    HE   ARG   7           HE       ARG   7  14.498   0.653  -8.270
   53   HH11  ARG   7          1HH1      ARG   7  15.715   3.806  -7.433
   54   HH12  ARG   7          2HH1      ARG   7  17.341   3.449  -7.913
   55   HH21  ARG   7          1HH2      ARG   7  16.635   0.171  -8.905
   56   HH22  ARG   7          2HH2      ARG   7  17.864   1.381  -8.750
   57    H    LYS   8           H        LYS   8   9.204   3.224  -7.317
   58    HA   LYS   8           HA       LYS   8   9.901   4.171  -9.807
   59    HB2  LYS   8          2HB       LYS   8   7.384   3.755  -8.344
   60    HB3  LYS   8          3HB       LYS   8   7.280   4.935  -9.644
   61    HG2  LYS   8          2HG       LYS   8   8.510   3.048 -11.005
   62    HG3  LYS   8          3HG       LYS   8   7.795   2.011  -9.768
   63    HD2  LYS   8          2HD       LYS   8   5.581   3.001 -10.292
   64    HD3  LYS   8          3HD       LYS   8   6.335   3.913 -11.602
   65    HE2  LYS   8          2HE       LYS   8   6.792   1.979 -12.836
   66    HE3  LYS   8          3HE       LYS   8   6.575   0.927 -11.438
   67    HZ1  LYS   8          1HZ       LYS   8   4.212   1.433 -11.470
   68    HZ2  LYS   8          2HZ       LYS   8   4.702   0.776 -12.949
   69    HZ3  LYS   8          3HZ       LYS   8   4.420   2.439 -12.814
   70    H    CYS   9           H        CYS   9   7.698   6.094  -7.802
   71    HA   CYS   9           HA       CYS   9   8.836   8.522  -8.933
   72    HB2  CYS   9          2HB       CYS   9   6.337   7.860  -7.421
   73    HB3  CYS   9          3HB       CYS   9   6.901   9.526  -7.466
   74    HG   CYS   9           HG       CYS   9   4.811   8.744  -9.402
   75    HA   PRO  10           HA       PRO  10  11.398   9.083  -5.341
   76    HB2  PRO  10          2HB       PRO  10  12.391  11.501  -6.074
   77    HB3  PRO  10          3HB       PRO  10  12.947   9.980  -6.781
   78    HG2  PRO  10          2HG       PRO  10  10.985  11.966  -7.862
   79    HG3  PRO  10          3HG       PRO  10  12.285  11.104  -8.706
   80    HD2  PRO  10          2HD       PRO  10   9.693  10.334  -8.851
   81    HD3  PRO  10          3HD       PRO  10  11.038   9.178  -8.923
   82    H    LEU  11           H        LEU  11   9.529  11.861  -6.579
   83    HA   LEU  11           HA       LEU  11   9.340  13.066  -3.982
   84    HB2  LEU  11          2HB       LEU  11   8.368  13.685  -6.716
   85    HB3  LEU  11          3HB       LEU  11   7.510  14.417  -5.362
   86    HG   LEU  11           HG       LEU  11   9.936  15.149  -4.646
   87   HD11  LEU  11          1HD1      LEU  11  11.471  15.463  -6.381
   88   HD12  LEU  11          2HD1      LEU  11  10.272  15.125  -7.627
   89   HD13  LEU  11          3HD1      LEU  11  10.880  13.818  -6.612
   90   HD21  LEU  11          1HD2      LEU  11   9.319  16.943  -6.746
   91   HD22  LEU  11          2HD2      LEU  11   8.961  17.104  -5.026
   92   HD23  LEU  11          3HD2      LEU  11   7.795  16.332  -6.102
   93    H    PHE  12           H        PHE  12   6.453  12.938  -5.894
   94    HA   PHE  12           HA       PHE  12   4.686  12.440  -3.886
   95    HB2  PHE  12          2HB       PHE  12   4.510  11.534  -6.765
   96    HB3  PHE  12          3HB       PHE  12   3.154  11.515  -5.642
   97    HD1  PHE  12           HD1      PHE  12   3.903  13.113  -8.353
   98    HD2  PHE  12           HD2      PHE  12   3.573  14.066  -4.217
   99    HE1  PHE  12           HE1      PHE  12   3.395  15.449  -8.935
  100    HE2  PHE  12           HE2      PHE  12   3.063  16.403  -4.793
  101    HZ   PHE  12           HZ       PHE  12   2.973  17.097  -7.154
  102    H    GLY  13           H        GLY  13   6.571  10.073  -5.682
  103    HA2  GLY  13          2HA       GLY  13   5.246   7.805  -4.508
  104    HA3  GLY  13          3HA       GLY  13   6.704   7.771  -5.488
  105    H    LYS  14           H        LYS  14   5.844   9.237  -2.353
  106    HA   LYS  14           HA       LYS  14   8.316   8.086  -1.251
  107    HB2  LYS  14          2HB       LYS  14   7.812  10.634  -1.233
  108    HB3  LYS  14          3HB       LYS  14   6.709  10.246   0.080
  109    HG2  LYS  14          2HG       LYS  14   8.378   9.818   1.544
  110    HG3  LYS  14          3HG       LYS  14   9.457   9.182   0.300
  111    HD2  LYS  14          2HD       LYS  14   8.808  12.065   0.150
  112    HD3  LYS  14          3HD       LYS  14   9.832  11.553   1.493
  113    HE2  LYS  14          2HE       LYS  14  11.061  10.239  -0.466
  114    HE3  LYS  14          3HE       LYS  14  10.367  11.545  -1.427
  115    HZ1  LYS  14          1HZ       LYS  14  11.713  12.323   1.033
  116    HZ2  LYS  14          2HZ       LYS  14  11.707  13.074  -0.483
  117    HZ3  LYS  14          3HZ       LYS  14  12.706  11.737  -0.206
  118    H    ASN  15           H        ASN  15   5.140   9.051   0.061
  119    HA   ASN  15           HA       ASN  15   5.065   6.475   1.492
  120    HB2  ASN  15          2HB       ASN  15   3.535   8.008   3.085
  121    HB3  ASN  15          3HB       ASN  15   5.272   7.831   3.313
  122   HD21  ASN  15          1HD2      ASN  15   5.873   9.755   4.060
  123   HD22  ASN  15          2HD2      ASN  15   5.588  11.264   3.268
  124    H    LYS  16           H        LYS  16   2.671   9.072   1.237
  125    HA   LYS  16           HA       LYS  16   0.872   7.176  -0.126
  126    HB2  LYS  16          2HB       LYS  16   0.204   9.254   1.964
  127    HB3  LYS  16          3HB       LYS  16  -0.999   8.368   1.036
  128    HG2  LYS  16          2HG       LYS  16   0.991   6.699   2.406
  129    HG3  LYS  16          3HG       LYS  16  -0.080   7.622   3.464
  130    HD2  LYS  16          2HD       LYS  16  -1.922   6.695   1.805
  131    HD3  LYS  16          3HD       LYS  16  -0.713   5.435   1.548
  132    HE2  LYS  16          2HE       LYS  16  -0.765   4.773   3.795
  133    HE3  LYS  16          3HE       LYS  16  -1.555   6.263   4.307
  134    HZ1  LYS  16          1HZ       LYS  16  -2.819   3.933   3.871
  135    HZ2  LYS  16          2HZ       LYS  16  -3.060   4.716   2.392
  136    HZ3  LYS  16          3HZ       LYS  16  -3.567   5.450   3.829
  137    H    SER  17           H        SER  17   1.505  10.633   0.432
  138    HA   SER  17           HA       SER  17   0.374  11.184  -2.231
  139    HB2  SER  17          2HB       SER  17   0.464  13.634  -1.121
  140    HB3  SER  17          3HB       SER  17  -0.917  12.553  -0.935
  141    HG   SER  17           HG       SER  17  -0.437  12.283   1.106
  142    H    ARG  18           H        ARG  18   2.568  13.028  -0.132
  143    HA   ARG  18           HA       ARG  18   4.157  13.895  -2.320
  144    HB2  ARG  18          2HB       ARG  18   4.125  14.265   0.599
  145    HB3  ARG  18          3HB       ARG  18   5.724  14.354  -0.129
  146    HG2  ARG  18          2HG       ARG  18   5.227  16.246  -1.325
  147    HG3  ARG  18          3HG       ARG  18   3.496  15.906  -1.348
  148    HD2  ARG  18          2HD       ARG  18   4.503  16.269   1.347
  149    HD3  ARG  18          3HD       ARG  18   4.818  17.674   0.329
  150    HE   ARG  18           HE       ARG  18   2.125  16.709   0.126
  151   HH11  ARG  18          1HH1      ARG  18   4.300  18.719   1.956
  152   HH12  ARG  18          2HH1      ARG  18   3.043  19.732   2.584
  153   HH21  ARG  18          1HH2      ARG  18   0.461  18.036   0.946
  154   HH22  ARG  18          2HH2      ARG  18   0.860  19.343   2.010
  Start of MODEL   11
    1    H1   VAL   1           H        VAL   1   2.043  -1.910   0.058
    2    HA   VAL   1           HA       VAL   1   3.085  -2.001  -2.046
    3    HB   VAL   1           HB       VAL   1   1.094   0.094  -2.924
    4   HG11  VAL   1          1HG1      VAL   1   1.878  -0.421  -5.175
    5   HG12  VAL   1          2HG1      VAL   1   3.206   0.144  -4.160
    6   HG13  VAL   1          3HG1      VAL   1   3.038  -1.575  -4.517
    7   HG21  VAL   1          1HG2      VAL   1  -0.050  -1.985  -2.445
    8   HG22  VAL   1          2HG2      VAL   1   0.037  -1.743  -4.190
    9   HG23  VAL   1          3HG2      VAL   1   1.126  -2.885  -3.402
   10    H    ALA   2           H        ALA   2   4.817  -1.157  -0.836
   11    HA   ALA   2           HA       ALA   2   5.200   1.752  -1.131
   12    HB1  ALA   2          1HB       ALA   2   6.847   0.524   0.922
   13    HB2  ALA   2          2HB       ALA   2   5.804   1.945   1.006
   14    HB3  ALA   2          3HB       ALA   2   5.121   0.335   1.235
   15    H    ARG   3           H        ARG   3   6.715  -1.431  -1.207
   16    HA   ARG   3           HA       ARG   3   9.336  -0.752  -1.741
   17    HB2  ARG   3          2HB       ARG   3   7.795  -3.044  -2.972
   18    HB3  ARG   3          3HB       ARG   3   9.544  -2.929  -2.828
   19    HG2  ARG   3          2HG       ARG   3   9.537  -3.589  -0.689
   20    HG3  ARG   3          3HG       ARG   3   8.098  -2.646  -0.297
   21    HD2  ARG   3          2HD       ARG   3   7.399  -4.856  -0.043
   22    HD3  ARG   3          3HD       ARG   3   6.818  -4.413  -1.648
   23    HE   ARG   3           HE       ARG   3   9.338  -5.553  -1.954
   24   HH11  ARG   3          1HH1      ARG   3   6.160  -6.487  -0.882
   25   HH12  ARG   3          2HH1      ARG   3   6.343  -8.142  -1.360
   26   HH21  ARG   3          1HH2      ARG   3   9.590  -7.729  -2.588
   27   HH22  ARG   3          2HH2      ARG   3   8.294  -8.848  -2.330
   28    H    GLY   4           H        GLY   4   6.549  -0.603  -3.836
   29    HA2  GLY   4          2HA       GLY   4   8.305   0.282  -6.042
   30    HA3  GLY   4          3HA       GLY   4   6.754  -0.508  -6.281
   31    H    TRP   5           H        TRP   5   6.662   1.651  -3.699
   32    HA   TRP   5           HA       TRP   5   5.516   3.744  -5.430
   33    HB2  TRP   5          2HB       TRP   5   4.049   2.281  -3.738
   34    HB3  TRP   5          3HB       TRP   5   4.612   3.507  -2.605
   35    HD1  TRP   5           HD1      TRP   5   2.294   3.020  -5.580
   36    HE1  TRP   5           HE1      TRP   5   0.841   5.126  -5.862
   37    HE3  TRP   5           HE3      TRP   5   4.630   6.074  -2.211
   38    HZ2  TRP   5           HZ2      TRP   5   0.705   7.737  -4.797
   39    HZ3  TRP   5           HZ3      TRP   5   3.777   8.361  -1.903
   40    HH2  TRP   5           HH2      TRP   5   1.855   9.173  -3.171
   41    H    GLY   6           H        GLY   6   7.918   2.983  -3.206
   42    HA2  GLY   6          2HA       GLY   6   8.263   5.827  -2.484
   43    HA3  GLY   6          3HA       GLY   6   8.830   4.485  -1.501
   44    H    ARG   7           H        ARG   7   9.368   3.660  -4.648
   45    HA   ARG   7           HA       ARG   7  12.090   4.789  -4.599
   46    HB2  ARG   7          2HB       ARG   7  12.334   2.476  -4.150
   47    HB3  ARG   7          3HB       ARG   7  11.146   2.035  -5.369
   48    HG2  ARG   7          2HG       ARG   7  12.631   2.183  -7.072
   49    HG3  ARG   7          3HG       ARG   7  13.550   3.480  -6.304
   50    HD2  ARG   7          2HD       ARG   7  15.042   2.008  -5.572
   51    HD3  ARG   7          3HD       ARG   7  13.778   1.144  -4.698
   52    HE   ARG   7           HE       ARG   7  13.816   0.487  -7.476
   53   HH11  ARG   7          1HH1      ARG   7  15.337  -0.159  -4.412
   54   HH12  ARG   7          2HH1      ARG   7  15.865  -1.747  -4.862
   55   HH21  ARG   7          1HH2      ARG   7  14.506  -1.602  -8.080
   56   HH22  ARG   7          2HH2      ARG   7  15.393  -2.566  -6.949
   57    H    LYS   8           H        LYS   8   9.305   3.899  -6.523
   58    HA   LYS   8           HA       LYS   8  10.241   4.256  -9.092
   59    HB2  LYS   8          2HB       LYS   8   7.623   4.460  -7.757
   60    HB3  LYS   8          3HB       LYS   8   7.749   5.354  -9.266
   61    HG2  LYS   8          2HG       LYS   8   8.452   3.312 -10.415
   62    HG3  LYS   8          3HG       LYS   8   8.312   2.417  -8.899
   63    HD2  LYS   8          2HD       LYS   8   6.240   1.962  -9.672
   64    HD3  LYS   8          3HD       LYS   8   5.869   3.556  -9.012
   65    HE2  LYS   8          2HE       LYS   8   5.457   4.389 -11.038
   66    HE3  LYS   8          3HE       LYS   8   6.958   3.731 -11.688
   67    HZ1  LYS   8          1HZ       LYS   8   4.323   2.813 -12.071
   68    HZ2  LYS   8          2HZ       LYS   8   5.224   1.594 -11.323
   69    HZ3  LYS   8          3HZ       LYS   8   5.751   2.258 -12.787
   70    H    CYS   9           H        CYS   9   8.245   6.785  -7.606
   71    HA   CYS   9           HA       CYS   9  10.112   8.782  -8.706
   72    HB2  CYS   9          2HB       CYS   9   7.273   8.436  -9.127
   73    HB3  CYS   9          3HB       CYS   9   7.606  10.013  -8.421
   74    HG   CYS   9           HG       CYS   9   9.558   9.132 -11.020
   75    HA   PRO  10           HA       PRO  10  10.484   9.979  -4.441
   76    HB2  PRO  10          2HB       PRO  10  12.095  12.120  -4.879
   77    HB3  PRO  10          3HB       PRO  10  12.678  10.453  -4.932
   78    HG2  PRO  10          2HG       PRO  10  11.919  12.266  -7.189
   79    HG3  PRO  10          3HG       PRO  10  13.305  11.169  -7.053
   80    HD2  PRO  10          2HD       PRO  10  11.079  10.536  -8.458
   81    HD3  PRO  10          3HD       PRO  10  12.055   9.316  -7.614
   82    H    LEU  11           H        LEU  11   9.708  12.292  -7.012
   83    HA   LEU  11           HA       LEU  11   8.959  14.528  -5.726
   84    HB2  LEU  11          2HB       LEU  11   8.430  13.426  -8.202
   85    HB3  LEU  11          3HB       LEU  11   6.827  13.693  -7.521
   86    HG   LEU  11           HG       LEU  11   8.446  16.034  -7.147
   87   HD11  LEU  11          1HD1      LEU  11   8.692  16.650  -9.522
   88   HD12  LEU  11          2HD1      LEU  11   8.249  15.004  -9.973
   89   HD13  LEU  11          3HD1      LEU  11   9.726  15.299  -9.056
   90   HD21  LEU  11          1HD2      LEU  11   5.945  15.415  -8.710
   91   HD22  LEU  11          2HD2      LEU  11   6.590  17.040  -8.476
   92   HD23  LEU  11          3HD2      LEU  11   6.056  16.095  -7.086
   93    H    PHE  12           H        PHE  12   6.336  12.277  -6.518
   94    HA   PHE  12           HA       PHE  12   5.112  12.929  -3.925
   95    HB2  PHE  12          2HB       PHE  12   4.022  12.400  -6.636
   96    HB3  PHE  12          3HB       PHE  12   3.077  11.809  -5.274
   97    HD1  PHE  12           HD1      PHE  12   5.141  14.838  -5.105
   98    HD2  PHE  12           HD2      PHE  12   1.219  13.269  -5.630
   99    HE1  PHE  12           HE1      PHE  12   4.202  17.089  -4.786
  100    HE2  PHE  12           HE2      PHE  12   0.274  15.518  -5.312
  101    HZ   PHE  12           HZ       PHE  12   1.765  17.432  -4.890
  102    H    GLY  13           H        GLY  13   6.249  10.339  -5.947
  103    HA2  GLY  13          2HA       GLY  13   5.000   8.230  -4.451
  104    HA3  GLY  13          3HA       GLY  13   6.258   8.045  -5.664
  105    H    LYS  14           H        LYS  14   5.987   9.556  -2.443
  106    HA   LYS  14           HA       LYS  14   8.630   8.479  -1.788
  107    HB2  LYS  14          2HB       LYS  14   7.272  10.915  -1.193
  108    HB3  LYS  14          3HB       LYS  14   7.583  10.080   0.324
  109    HG2  LYS  14          2HG       LYS  14   9.830  10.219  -1.587
  110    HG3  LYS  14          3HG       LYS  14   9.334  11.735  -0.830
  111    HD2  LYS  14          2HD       LYS  14  10.239  11.152   1.126
  112    HD3  LYS  14          3HD       LYS  14   9.474   9.562   1.086
  113    HE2  LYS  14          2HE       LYS  14  11.741   9.057   1.064
  114    HE3  LYS  14          3HE       LYS  14  11.299   8.977  -0.640
  115    HZ1  LYS  14          1HZ       LYS  14  12.597  11.281   0.711
  116    HZ2  LYS  14          2HZ       LYS  14  12.154  11.226  -0.920
  117    HZ3  LYS  14          3HZ       LYS  14  13.356  10.189  -0.335
  118    H    ASN  15           H        ASN  15   5.675   9.045   0.124
  119    HA   ASN  15           HA       ASN  15   6.010   6.344   1.255
  120    HB2  ASN  15          2HB       ASN  15   5.435   8.962   2.579
  121    HB3  ASN  15          3HB       ASN  15   4.743   7.496   3.268
  122   HD21  ASN  15          1HD2      ASN  15   6.284   5.722   3.698
  123   HD22  ASN  15          2HD2      ASN  15   7.861   6.141   4.266
  124    H    LYS  16           H        LYS  16   3.454   8.785   1.580
  125    HA   LYS  16           HA       LYS  16   1.566   6.837   0.427
  126    HB2  LYS  16          2HB       LYS  16   1.103   8.815   2.666
  127    HB3  LYS  16          3HB       LYS  16  -0.156   7.837   1.923
  128    HG2  LYS  16          2HG       LYS  16   1.776   5.994   2.641
  129    HG3  LYS  16          3HG       LYS  16   1.761   7.146   3.978
  130    HD2  LYS  16          2HD       LYS  16  -0.889   6.827   3.592
  131    HD3  LYS  16          3HD       LYS  16  -0.308   5.239   3.086
  132    HE2  LYS  16          2HE       LYS  16   1.038   5.266   5.276
  133    HE3  LYS  16          3HE       LYS  16  -0.027   6.589   5.752
  134    HZ1  LYS  16          1HZ       LYS  16  -1.392   4.997   6.454
  135    HZ2  LYS  16          2HZ       LYS  16  -0.558   3.776   5.633
  136    HZ3  LYS  16          3HZ       LYS  16  -1.733   4.686   4.826
  137    H    SER  17           H        SER  17   2.238  10.282   0.934
  138    HA   SER  17           HA       SER  17   0.671  10.854  -1.496
  139    HB2  SER  17          2HB       SER  17   0.408  13.184  -0.456
  140    HB3  SER  17          3HB       SER  17  -0.524  11.876   0.272
  141    HG   SER  17           HG       SER  17   0.678  13.312   1.745
  142    H    ARG  18           H        ARG  18   3.225  12.302   0.534
  143    HA   ARG  18           HA       ARG  18   4.783  12.795  -1.904
  144    HB2  ARG  18          2HB       ARG  18   3.885  14.803   0.123
  145    HB3  ARG  18          3HB       ARG  18   5.449  15.015  -0.653
  146    HG2  ARG  18          2HG       ARG  18   4.505  15.814  -2.491
  147    HG3  ARG  18          3HG       ARG  18   3.419  14.428  -2.606
  148    HD2  ARG  18          2HD       ARG  18   2.130  16.464  -2.422
  149    HD3  ARG  18          3HD       ARG  18   1.926  15.494  -0.964
  150    HE   ARG  18           HE       ARG  18   4.002  17.476  -0.767
  151   HH11  ARG  18          1HH1      ARG  18   0.602  16.830  -0.385
  152   HH12  ARG  18          2HH1      ARG  18   0.351  18.120   0.743
  153   HH21  ARG  18          1HH2      ARG  18   3.683  19.178   0.718
  154   HH22  ARG  18          2HH2      ARG  18   2.104  19.456   1.369
  Start of MODEL   12
    1    H1   VAL   1           H        VAL   1  -0.270  -0.894  -2.761
    2    HA   VAL   1           HA       VAL   1   1.302  -1.860  -1.412
    3    HB   VAL   1           HB       VAL   1   3.315  -2.916  -2.410
    4   HG11  VAL   1          1HG1      VAL   1   0.881  -3.738  -3.965
    5   HG12  VAL   1          2HG1      VAL   1   2.174  -4.751  -3.321
    6   HG13  VAL   1          3HG1      VAL   1   1.011  -4.003  -2.227
    7   HG21  VAL   1          1HG2      VAL   1   3.776  -1.505  -4.264
    8   HG22  VAL   1          2HG2      VAL   1   3.353  -3.085  -4.923
    9   HG23  VAL   1          3HG2      VAL   1   2.175  -1.773  -4.952
   10    H    ALA   2           H        ALA   2   3.819  -1.614  -0.937
   11    HA   ALA   2           HA       ALA   2   4.476   1.232  -1.343
   12    HB1  ALA   2          1HB       ALA   2   4.790   1.513   0.846
   13    HB2  ALA   2          2HB       ALA   2   3.943  -0.020   1.052
   14    HB3  ALA   2          3HB       ALA   2   5.705   0.012   0.992
   15    H    ARG   3           H        ARG   3   5.626  -2.057  -1.321
   16    HA   ARG   3           HA       ARG   3   8.399  -1.492  -1.486
   17    HB2  ARG   3          2HB       ARG   3   7.775  -3.684  -0.821
   18    HB3  ARG   3          3HB       ARG   3   6.745  -3.898  -2.230
   19    HG2  ARG   3          2HG       ARG   3   8.835  -5.178  -2.375
   20    HG3  ARG   3          3HG       ARG   3   8.673  -3.997  -3.676
   21    HD2  ARG   3          2HD       ARG   3  10.581  -3.025  -3.087
   22    HD3  ARG   3          3HD       ARG   3   9.989  -2.785  -1.444
   23    HE   ARG   3           HE       ARG   3  10.922  -5.455  -1.970
   24   HH11  ARG   3          1HH1      ARG   3  11.821  -2.242  -0.975
   25   HH12  ARG   3          2HH1      ARG   3  13.235  -2.762  -0.120
   26   HH21  ARG   3          1HH2      ARG   3  12.781  -6.152  -0.847
   27   HH22  ARG   3          2HH2      ARG   3  13.780  -4.986  -0.048
   28    H    GLY   4           H        GLY   4   5.820  -1.517  -3.808
   29    HA2  GLY   4          2HA       GLY   4   7.777  -1.222  -5.996
   30    HA3  GLY   4          3HA       GLY   4   6.114  -1.751  -6.204
   31    H    TRP   5           H        TRP   5   5.380   0.439  -4.180
   32    HA   TRP   5           HA       TRP   5   5.034   2.510  -6.199
   33    HB2  TRP   5          2HB       TRP   5   3.203   1.581  -4.595
   34    HB3  TRP   5          3HB       TRP   5   3.933   2.659  -3.409
   35    HD1  TRP   5           HD1      TRP   5   1.727   2.659  -6.489
   36    HE1  TRP   5           HE1      TRP   5   0.821   5.036  -6.881
   37    HE3  TRP   5           HE3      TRP   5   4.576   5.184  -3.077
   38    HZ2  TRP   5           HZ2      TRP   5   1.257   7.638  -5.876
   39    HZ3  TRP   5           HZ3      TRP   5   4.270   7.616  -2.855
   40    HH2  TRP   5           HH2      TRP   5   2.645   8.815  -4.226
   41    H    GLY   6           H        GLY   6   6.940   1.857  -3.411
   42    HA2  GLY   6          2HA       GLY   6   7.611   4.667  -2.997
   43    HA3  GLY   6          3HA       GLY   6   8.161   3.311  -2.024
   44    H    ARG   7           H        ARG   7   8.394   3.040  -5.454
   45    HA   ARG   7           HA       ARG   7  11.289   3.564  -5.284
   46    HB2  ARG   7          2HB       ARG   7   9.771   1.322  -6.555
   47    HB3  ARG   7          3HB       ARG   7  11.293   1.837  -7.271
   48    HG2  ARG   7          2HG       ARG   7  11.561   1.510  -4.422
   49    HG3  ARG   7          3HG       ARG   7  10.934   0.043  -5.176
   50    HD2  ARG   7          2HD       ARG   7  13.351   1.526  -6.187
   51    HD3  ARG   7          3HD       ARG   7  13.442   0.203  -5.025
   52    HE   ARG   7           HE       ARG   7  11.970  -0.649  -7.255
   53   HH11  ARG   7          1HH1      ARG   7  15.222   0.230  -6.376
   54   HH12  ARG   7          2HH1      ARG   7  15.959  -0.790  -7.567
   55   HH21  ARG   7          1HH2      ARG   7  12.929  -1.996  -8.827
   56   HH22  ARG   7          2HH2      ARG   7  14.653  -2.055  -8.961
   57    H    LYS   8           H        LYS   8   8.525   3.399  -7.517
   58    HA   LYS   8           HA       LYS   8   9.640   4.578  -9.742
   59    HB2  LYS   8          2HB       LYS   8   6.911   4.320  -8.648
   60    HB3  LYS   8          3HB       LYS   8   7.129   5.618  -9.814
   61    HG2  LYS   8          2HG       LYS   8   8.378   3.570 -11.077
   62    HG3  LYS   8          3HG       LYS   8   7.106   2.714 -10.203
   63    HD2  LYS   8          2HD       LYS   8   5.463   4.335 -11.155
   64    HD3  LYS   8          3HD       LYS   8   6.768   5.002 -12.139
   65    HE2  LYS   8          2HE       LYS   8   7.113   2.733 -13.102
   66    HE3  LYS   8          3HE       LYS   8   5.694   2.185 -12.211
   67    HZ1  LYS   8          1HZ       LYS   8   4.463   4.017 -13.404
   68    HZ2  LYS   8          2HZ       LYS   8   4.945   2.704 -14.356
   69    HZ3  LYS   8          3HZ       LYS   8   5.812   4.155 -14.417
   70    H    CYS   9           H        CYS   9   7.415   6.462  -7.719
   71    HA   CYS   9           HA       CYS   9   8.455   8.944  -8.521
   72    HB2  CYS   9          2HB       CYS   9   6.666   8.059  -6.281
   73    HB3  CYS   9          3HB       CYS   9   7.227   9.725  -6.353
   74    HG   CYS   9           HG       CYS   9   6.074   8.885  -9.304
   75    HA   PRO  10           HA       PRO  10  12.171   8.943  -6.069
   76    HB2  PRO  10          2HB       PRO  10  12.983  11.430  -6.794
   77    HB3  PRO  10          3HB       PRO  10  13.156  10.019  -7.844
   78    HG2  PRO  10          2HG       PRO  10  11.064  12.160  -7.877
   79    HG3  PRO  10          3HG       PRO  10  11.921  11.413  -9.237
   80    HD2  PRO  10          2HD       PRO  10   9.406  10.700  -8.532
   81    HD3  PRO  10          3HD       PRO  10  10.562   9.551  -9.233
   82    H    LEU  11           H        LEU  11  10.225  11.936  -6.191
   83    HA   LEU  11           HA       LEU  11  10.816  12.373  -3.351
   84    HB2  LEU  11          2HB       LEU  11  10.423  14.628  -3.670
   85    HB3  LEU  11          3HB       LEU  11  11.193  14.142  -5.179
   86    HG   LEU  11           HG       LEU  11   8.524  13.857  -5.754
   87   HD11  LEU  11          1HD1      LEU  11   8.103  14.994  -3.520
   88   HD12  LEU  11          2HD1      LEU  11   7.317  15.694  -4.934
   89   HD13  LEU  11          3HD1      LEU  11   8.761  16.452  -4.263
   90   HD21  LEU  11          1HD2      LEU  11   8.896  15.522  -7.302
   91   HD22  LEU  11          2HD2      LEU  11  10.543  15.010  -6.934
   92   HD23  LEU  11          3HD2      LEU  11   9.890  16.475  -6.199
   93    H    PHE  12           H        PHE  12   8.316  11.450  -5.502
   94    HA   PHE  12           HA       PHE  12   6.251  11.949  -3.477
   95    HB2  PHE  12          2HB       PHE  12   6.283  11.985  -6.365
   96    HB3  PHE  12          3HB       PHE  12   5.052  10.872  -5.778
   97    HD1  PHE  12           HD1      PHE  12   6.187  13.981  -4.127
   98    HD2  PHE  12           HD2      PHE  12   3.096  12.044  -6.319
   99    HE1  PHE  12           HE1      PHE  12   4.687  15.881  -3.684
  100    HE2  PHE  12           HE2      PHE  12   1.591  13.941  -5.880
  101    HZ   PHE  12           HZ       PHE  12   2.387  15.863  -4.562
  102    H    GLY  13           H        GLY  13   8.372   9.604  -4.191
  103    HA2  GLY  13          2HA       GLY  13   7.023   7.224  -4.505
  104    HA3  GLY  13          3HA       GLY  13   8.501   7.394  -3.571
  105    H    LYS  14           H        LYS  14   6.987   9.318  -1.763
  106    HA   LYS  14           HA       LYS  14   5.474   7.282  -0.261
  107    HB2  LYS  14          2HB       LYS  14   6.252   8.621   1.791
  108    HB3  LYS  14          3HB       LYS  14   7.423   7.570   1.005
  109    HG2  LYS  14          2HG       LYS  14   7.395  10.301  -0.035
  110    HG3  LYS  14          3HG       LYS  14   7.840  10.178   1.669
  111    HD2  LYS  14          2HD       LYS  14   9.361   8.215   0.762
  112    HD3  LYS  14          3HD       LYS  14   9.227   9.123  -0.745
  113    HE2  LYS  14          2HE       LYS  14   9.892  11.164   0.662
  114    HE3  LYS  14          3HE       LYS  14  10.393   9.993   1.881
  115    HZ1  LYS  14          1HZ       LYS  14  11.379   9.430  -0.768
  116    HZ2  LYS  14          2HZ       LYS  14  12.198   9.441   0.711
  117    HZ3  LYS  14          3HZ       LYS  14  11.948  10.889  -0.127
  118    H    ASN  15           H        ASN  15   3.503   8.012  -1.132
  119    HA   ASN  15           HA       ASN  15   2.524  10.532  -1.408
  120    HB2  ASN  15          2HB       ASN  15   0.288   9.618  -1.076
  121    HB3  ASN  15          3HB       ASN  15   1.275   8.479  -1.987
  122   HD21  ASN  15          1HD2      ASN  15   1.962   6.574  -1.000
  123   HD22  ASN  15          2HD2      ASN  15   1.213   5.970   0.436
  124    H    LYS  16           H        LYS  16   2.826   8.709   1.592
  125    HA   LYS  16           HA       LYS  16   1.365  10.124   3.380
  126    HB2  LYS  16          2HB       LYS  16   4.219   9.225   3.820
  127    HB3  LYS  16          3HB       LYS  16   3.042   9.568   5.080
  128    HG2  LYS  16          2HG       LYS  16   1.768   7.708   3.484
  129    HG3  LYS  16          3HG       LYS  16   3.446   7.161   3.522
  130    HD2  LYS  16          2HD       LYS  16   3.432   7.172   5.942
  131    HD3  LYS  16          3HD       LYS  16   1.798   7.840   5.958
  132    HE2  LYS  16          2HE       LYS  16   1.321   5.685   4.481
  133    HE3  LYS  16          3HE       LYS  16   2.728   5.084   5.356
  134    HZ1  LYS  16          1HZ       LYS  16   1.321   4.589   6.981
  135    HZ2  LYS  16          2HZ       LYS  16   0.054   5.459   6.275
  136    HZ3  LYS  16          3HZ       LYS  16   1.167   6.248   7.275
  137    H    SER  17           H        SER  17   4.374  11.143   1.880
  138    HA   SER  17           HA       SER  17   5.124  13.277   3.422
  139    HB2  SER  17          2HB       SER  17   5.970  14.311   1.285
  140    HB3  SER  17          3HB       SER  17   6.464  12.636   1.533
  141    HG   SER  17           HG       SER  17   4.496  12.155   0.211
  142    H    ARG  18           H        ARG  18   3.042  13.590   0.539
  143    HA   ARG  18           HA       ARG  18   2.057  16.140   1.547
  144    HB2  ARG  18          2HB       ARG  18   2.708  15.996  -0.808
  145    HB3  ARG  18          3HB       ARG  18   1.538  14.708  -1.065
  146    HG2  ARG  18          2HG       ARG  18  -0.225  16.128  -1.117
  147    HG3  ARG  18          3HG       ARG  18   0.505  17.253   0.030
  148    HD2  ARG  18          2HD       ARG  18   2.062  17.166  -2.376
  149    HD3  ARG  18          3HD       ARG  18   0.373  17.478  -2.771
  150    HE   ARG  18           HE       ARG  18   1.207  19.122  -0.624
  151   HH11  ARG  18          1HH1      ARG  18   1.524  18.741  -4.070
  152   HH12  ARG  18          2HH1      ARG  18   1.805  20.425  -4.362
  153   HH21  ARG  18          1HH2      ARG  18   1.576  21.342  -0.996
  154   HH22  ARG  18          2HH2      ARG  18   1.835  21.904  -2.612
  Start of MODEL   13
    1    H1   VAL   1           H        VAL   1   5.699  -1.226  -1.487
    2    HA   VAL   1           HA       VAL   1   4.785   0.538  -2.719
    3    HB   VAL   1           HB       VAL   1   3.279   2.181  -1.678
    4   HG11  VAL   1          1HG1      VAL   1   2.545  -0.102  -2.610
    5   HG12  VAL   1          2HG1      VAL   1   2.272  -0.539  -0.922
    6   HG13  VAL   1          3HG1      VAL   1   1.394   0.813  -1.637
    7   HG21  VAL   1          1HG2      VAL   1   4.204   0.847   0.765
    8   HG22  VAL   1          2HG2      VAL   1   3.602   2.487   0.525
    9   HG23  VAL   1          3HG2      VAL   1   2.467   1.149   0.703
   10    H    ALA   2           H        ALA   2   6.805   0.442  -0.103
   11    HA   ALA   2           HA       ALA   2   7.793   3.170  -0.631
   12    HB1  ALA   2          1HB       ALA   2   8.603   1.983   1.919
   13    HB2  ALA   2          2HB       ALA   2   8.005   3.603   1.557
   14    HB3  ALA   2          3HB       ALA   2   6.869   2.272   1.773
   15    H    ARG   3           H        ARG   3   8.616  -0.192  -0.007
   16    HA   ARG   3           HA       ARG   3  11.361  -0.087   0.134
   17    HB2  ARG   3          2HB       ARG   3   9.729  -2.162  -1.341
   18    HB3  ARG   3          3HB       ARG   3  11.373  -2.368  -0.750
   19    HG2  ARG   3          2HG       ARG   3  10.699  -2.795   1.340
   20    HG3  ARG   3          3HG       ARG   3   9.454  -1.546   1.300
   21    HD2  ARG   3          2HD       ARG   3   7.850  -2.980   0.606
   22    HD3  ARG   3          3HD       ARG   3   8.965  -3.904  -0.399
   23    HE   ARG   3           HE       ARG   3   9.623  -4.429   2.246
   24   HH11  ARG   3          1HH1      ARG   3   6.919  -4.897   0.105
   25   HH12  ARG   3          2HH1      ARG   3   6.363  -6.328   0.909
   26   HH21  ARG   3          1HH2      ARG   3   8.902  -6.311   3.313
   27   HH22  ARG   3          2HH2      ARG   3   7.491  -7.131   2.734
   28    H    GLY   4           H        GLY   4   9.303   0.375  -2.644
   29    HA2  GLY   4          2HA       GLY   4  11.699   0.594  -4.355
   30    HA3  GLY   4          3HA       GLY   4  10.088   0.211  -4.945
   31    H    TRP   5           H        TRP   5  11.541   2.777  -2.935
   32    HA   TRP   5           HA       TRP   5   9.790   4.805  -3.538
   33    HB2  TRP   5          2HB       TRP   5  11.457   5.130  -1.845
   34    HB3  TRP   5          3HB       TRP   5  12.762   4.932  -3.011
   35    HD1  TRP   5           HD1      TRP   5  13.901   7.222  -3.174
   36    HE1  TRP   5           HE1      TRP   5  13.115   9.645  -3.539
   37    HE3  TRP   5           HE3      TRP   5   8.847   6.467  -3.022
   38    HZ2  TRP   5           HZ2      TRP   5  10.675  11.051  -3.735
   39    HZ3  TRP   5           HZ3      TRP   5   7.356   8.404  -3.306
   40    HH2  TRP   5           HH2      TRP   5   8.253  10.648  -3.654
   41    H    GLY   6           H        GLY   6  13.033   4.823  -4.998
   42    HA2  GLY   6          2HA       GLY   6  12.292   6.453  -7.161
   43    HA3  GLY   6          3HA       GLY   6  13.746   5.469  -7.081
   44    H    ARG   7           H        ARG   7  11.824   3.094  -6.661
   45    HA   ARG   7           HA       ARG   7  11.949   1.986  -9.166
   46    HB2  ARG   7          2HB       ARG   7  11.067   1.120  -6.760
   47    HB3  ARG   7          3HB       ARG   7   9.536   1.274  -7.611
   48    HG2  ARG   7          2HG       ARG   7   9.911  -0.748  -8.436
   49    HG3  ARG   7          3HG       ARG   7  11.190  -0.027  -9.415
   50    HD2  ARG   7          2HD       ARG   7  12.596  -1.401  -8.366
   51    HD3  ARG   7          3HD       ARG   7  12.374  -0.383  -6.943
   52    HE   ARG   7           HE       ARG   7  10.293  -2.172  -6.889
   53   HH11  ARG   7          1HH1      ARG   7  13.769  -2.369  -6.920
   54   HH12  ARG   7          2HH1      ARG   7  13.823  -3.850  -6.023
   55   HH21  ARG   7          1HH2      ARG   7  10.352  -4.122  -5.707
   56   HH22  ARG   7          2HH2      ARG   7  11.879  -4.847  -5.334
   57    H    LYS   8           H        LYS   8   8.907   3.217  -7.763
   58    HA   LYS   8           HA       LYS   8   8.031   3.878 -10.497
   59    HB2  LYS   8          2HB       LYS   8   6.765   2.396  -8.419
   60    HB3  LYS   8          3HB       LYS   8   5.838   3.868  -8.673
   61    HG2  LYS   8          2HG       LYS   8   5.520   3.350 -10.984
   62    HG3  LYS   8          3HG       LYS   8   6.627   1.979 -10.879
   63    HD2  LYS   8          2HD       LYS   8   4.408   1.909  -8.959
   64    HD3  LYS   8          3HD       LYS   8   3.917   1.814 -10.652
   65    HE2  LYS   8          2HE       LYS   8   5.899   0.058 -10.740
   66    HE3  LYS   8          3HE       LYS   8   5.527  -0.081  -9.023
   67    HZ1  LYS   8          1HZ       LYS   8   4.260  -1.691 -10.224
   68    HZ2  LYS   8          2HZ       LYS   8   3.659  -0.521 -11.287
   69    HZ3  LYS   8          3HZ       LYS   8   3.192  -0.505  -9.661
   70    H    CYS   9           H        CYS   9   7.601   4.930  -7.116
   71    HA   CYS   9           HA       CYS   9   6.579   7.478  -7.764
   72    HB2  CYS   9          2HB       CYS   9   7.991   6.558  -5.252
   73    HB3  CYS   9          3HB       CYS   9   7.060   8.042  -5.407
   74    HG   CYS   9           HG       CYS   9   5.696   4.937  -5.846
   75    HA   PRO  10           HA       PRO  10  10.363   9.356  -9.153
   76    HB2  PRO  10          2HB       PRO  10   9.336  11.845  -9.505
   77    HB3  PRO  10          3HB       PRO  10   9.054  10.520 -10.640
   78    HG2  PRO  10          2HG       PRO  10   7.280  11.561  -8.465
   79    HG3  PRO  10          3HG       PRO  10   6.858  11.083 -10.120
   80    HD2  PRO  10          2HD       PRO  10   6.436   9.471  -7.985
   81    HD3  PRO  10          3HD       PRO  10   6.827   8.838  -9.597
   82    H    LEU  11           H        LEU  11   8.671  11.993  -7.567
   83    HA   LEU  11           HA       LEU  11  10.738  12.018  -5.469
   84    HB2  LEU  11          2HB       LEU  11  11.052  14.302  -5.669
   85    HB3  LEU  11          3HB       LEU  11  10.922  13.764  -7.343
   86    HG   LEU  11           HG       LEU  11   8.376  14.432  -6.950
   87   HD11  LEU  11          1HD1      LEU  11   9.362  15.178  -4.540
   88   HD12  LEU  11          2HD1      LEU  11   7.939  15.889  -5.300
   89   HD13  LEU  11          3HD1      LEU  11   9.505  16.685  -5.445
   90   HD21  LEU  11          1HD2      LEU  11   9.410  16.888  -7.540
   91   HD22  LEU  11          2HD2      LEU  11   9.166  15.583  -8.701
   92   HD23  LEU  11          3HD2      LEU  11  10.748  15.818  -7.956
   93    H    PHE  12           H        PHE  12   7.424  12.703  -6.379
   94    HA   PHE  12           HA       PHE  12   6.739  12.871  -3.518
   95    HB2  PHE  12          2HB       PHE  12   6.168  14.726  -5.652
   96    HB3  PHE  12          3HB       PHE  12   4.669  14.101  -4.974
   97    HD1  PHE  12           HD1      PHE  12   7.878  14.705  -3.221
   98    HD2  PHE  12           HD2      PHE  12   3.843  15.933  -3.791
   99    HE1  PHE  12           HE1      PHE  12   8.089  16.265  -1.330
  100    HE2  PHE  12           HE2      PHE  12   4.048  17.496  -1.902
  101    HZ   PHE  12           HZ       PHE  12   6.173  17.664  -0.669
  102    H    GLY  13           H        GLY  13   6.611  10.928  -6.107
  103    HA2  GLY  13          2HA       GLY  13   4.258   9.983  -6.796
  104    HA3  GLY  13          3HA       GLY  13   5.475   8.871  -6.186
  105    H    LYS  14           H        LYS  14   5.540   8.792  -3.692
  106    HA   LYS  14           HA       LYS  14   2.769   8.747  -2.689
  107    HB2  LYS  14          2HB       LYS  14   4.913   6.696  -2.609
  108    HB3  LYS  14          3HB       LYS  14   3.925   6.862  -1.163
  109    HG2  LYS  14          2HG       LYS  14   2.710   6.527  -3.885
  110    HG3  LYS  14          3HG       LYS  14   3.195   5.149  -2.893
  111    HD2  LYS  14          2HD       LYS  14   1.554   7.191  -1.539
  112    HD3  LYS  14          3HD       LYS  14   0.743   6.279  -2.813
  113    HE2  LYS  14          2HE       LYS  14   2.307   4.534  -1.134
  114    HE3  LYS  14          3HE       LYS  14   1.181   5.486  -0.168
  115    HZ1  LYS  14          1HZ       LYS  14   0.101   3.488  -0.842
  116    HZ2  LYS  14          2HZ       LYS  14   0.517   3.727  -2.464
  117    HZ3  LYS  14          3HZ       LYS  14  -0.594   4.760  -1.714
  118    H    ASN  15           H        ASN  15   6.097   9.530  -2.084
  119    HA   ASN  15           HA       ASN  15   5.915   9.974   0.704
  120    HB2  ASN  15          2HB       ASN  15   7.930  10.069  -1.232
  121    HB3  ASN  15          3HB       ASN  15   7.834  11.712  -0.605
  122   HD21  ASN  15          1HD2      ASN  15   9.588   9.125  -0.290
  123   HD22  ASN  15          2HD2      ASN  15   9.928   9.126   1.404
  124    H    LYS  16           H        LYS  16   4.585  11.635  -1.903
  125    HA   LYS  16           HA       LYS  16   4.735  14.303  -1.341
  126    HB2  LYS  16          2HB       LYS  16   3.513  13.613  -3.257
  127    HB3  LYS  16          3HB       LYS  16   2.399  12.653  -2.293
  128    HG2  LYS  16          2HG       LYS  16   2.319  15.389  -1.441
  129    HG3  LYS  16          3HG       LYS  16   2.068  15.284  -3.185
  130    HD2  LYS  16          2HD       LYS  16   0.599  13.245  -1.722
  131    HD3  LYS  16          3HD       LYS  16   0.157  14.881  -1.228
  132    HE2  LYS  16          2HE       LYS  16   0.240  13.923  -4.086
  133    HE3  LYS  16          3HE       LYS  16  -1.218  13.978  -3.097
  134    HZ1  LYS  16          1HZ       LYS  16  -0.106  16.478  -2.881
  135    HZ2  LYS  16          2HZ       LYS  16  -1.460  16.053  -3.801
  136    HZ3  LYS  16          3HZ       LYS  16   0.073  16.079  -4.515
  137    H    SER  17           H        SER  17   1.797  12.579  -0.355
  138    HA   SER  17           HA       SER  17   1.928  14.002   2.224
  139    HB2  SER  17          2HB       SER  17   0.183  14.952   0.768
  140    HB3  SER  17          3HB       SER  17  -0.549  13.356   0.604
  141    HG   SER  17           HG       SER  17  -1.662  14.280   2.227
  142    H    ARG  18           H        ARG  18   2.682  11.209   1.273
  143    HA   ARG  18           HA       ARG  18   1.329   9.803   3.458
  144    HB2  ARG  18          2HB       ARG  18   1.273   9.089   0.579
  145    HB3  ARG  18          3HB       ARG  18   1.529   7.768   1.711
  146    HG2  ARG  18          2HG       ARG  18  -0.748   9.710   1.968
  147    HG3  ARG  18          3HG       ARG  18  -0.856   8.215   1.037
  148    HD2  ARG  18          2HD       ARG  18  -1.499   7.261   2.953
  149    HD3  ARG  18          3HD       ARG  18   0.198   7.365   3.423
  150    HE   ARG  18           HE       ARG  18  -0.833   9.776   4.145
  151   HH11  ARG  18          1HH1      ARG  18  -1.687   6.467   4.807
  152   HH12  ARG  18          2HH1      ARG  18  -2.350   6.814   6.369
  153   HH21  ARG  18          1HH2      ARG  18  -1.703  10.246   6.200
  154   HH22  ARG  18          2HH2      ARG  18  -2.359   8.964   7.161
  Start of MODEL   14
    1    H1   VAL   1           H        VAL   1   0.662   1.145   0.152
    2    HA   VAL   1           HA       VAL   1   2.911   0.141   0.070
    3    HB   VAL   1           HB       VAL   1   1.244  -0.719  -1.528
    4   HG11  VAL   1          1HG1      VAL   1   2.433   1.096  -3.602
    5   HG12  VAL   1          2HG1      VAL   1   0.968   0.118  -3.699
    6   HG13  VAL   1          3HG1      VAL   1   1.004   1.553  -2.674
    7   HG21  VAL   1          1HG2      VAL   1   2.755  -1.907  -2.842
    8   HG22  VAL   1          2HG2      VAL   1   3.859  -0.539  -2.982
    9   HG23  VAL   1          3HG2      VAL   1   3.725  -1.411  -1.455
   10    H    ALA   2           H        ALA   2   5.029   0.463  -0.315
   11    HA   ALA   2           HA       ALA   2   5.780   2.848  -1.878
   12    HB1  ALA   2          1HB       ALA   2   6.955   3.634  -0.166
   13    HB2  ALA   2          2HB       ALA   2   6.242   2.367   0.833
   14    HB3  ALA   2          3HB       ALA   2   7.793   2.095   0.038
   15    H    ARG   3           H        ARG   3   6.625  -0.446  -0.956
   16    HA   ARG   3           HA       ARG   3   9.036  -0.751  -2.275
   17    HB2  ARG   3          2HB       ARG   3   8.511  -3.146  -2.383
   18    HB3  ARG   3          3HB       ARG   3   8.098  -2.468  -0.814
   19    HG2  ARG   3          2HG       ARG   3   5.755  -2.393  -1.433
   20    HG3  ARG   3          3HG       ARG   3   6.145  -3.001  -3.043
   21    HD2  ARG   3          2HD       ARG   3   6.525  -5.125  -2.301
   22    HD3  ARG   3          3HD       ARG   3   7.061  -4.588  -0.709
   23    HE   ARG   3           HE       ARG   3   4.893  -4.707   0.032
   24   HH11  ARG   3          1HH1      ARG   3   4.944  -4.897  -3.444
   25   HH12  ARG   3          2HH1      ARG   3   3.267  -5.313  -3.576
   26   HH21  ARG   3          1HH2      ARG   3   2.684  -5.255  -0.129
   27   HH22  ARG   3          2HH2      ARG   3   1.983  -5.516  -1.690
   28    H    GLY   4           H        GLY   4   5.809  -0.563  -3.576
   29    HA2  GLY   4          2HA       GLY   4   6.917  -1.041  -6.275
   30    HA3  GLY   4          3HA       GLY   4   5.266  -1.433  -5.819
   31    H    TRP   5           H        TRP   5   6.107   1.415  -4.337
   32    HA   TRP   5           HA       TRP   5   4.986   3.005  -6.552
   33    HB2  TRP   5          2HB       TRP   5   3.668   2.559  -4.265
   34    HB3  TRP   5          3HB       TRP   5   4.634   3.938  -3.750
   35    HD1  TRP   5           HD1      TRP   5   1.699   3.002  -5.968
   36    HE1  TRP   5           HE1      TRP   5   0.585   5.152  -6.839
   37    HE3  TRP   5           HE3      TRP   5   5.173   6.410  -4.401
   38    HZ2  TRP   5           HZ2      TRP   5   1.109   7.926  -6.860
   39    HZ3  TRP   5           HZ3      TRP   5   4.792   8.792  -4.887
   40    HH2  TRP   5           HH2      TRP   5   2.801   9.532  -6.092
   41    H    GLY   6           H        GLY   6   6.709   3.510  -3.460
   42    HA2  GLY   6          2HA       GLY   6   7.872   5.944  -4.056
   43    HA3  GLY   6          3HA       GLY   6   8.575   4.756  -2.969
   44    H    ARG   7           H        ARG   7   8.999   2.713  -4.920
   45    HA   ARG   7           HA       ARG   7  11.561   3.323  -5.786
   46    HB2  ARG   7          2HB       ARG   7  10.334   1.041  -5.609
   47    HB3  ARG   7          3HB       ARG   7   9.841   1.359  -7.267
   48    HG2  ARG   7          2HG       ARG   7  12.096   1.380  -8.020
   49    HG3  ARG   7          3HG       ARG   7  12.709   1.357  -6.365
   50    HD2  ARG   7          2HD       ARG   7  12.744  -0.861  -6.440
   51    HD3  ARG   7          3HD       ARG   7  10.991  -0.860  -6.628
   52    HE   ARG   7           HE       ARG   7  11.267  -1.385  -8.837
   53   HH11  ARG   7          1HH1      ARG   7  14.285  -0.207  -7.564
   54   HH12  ARG   7          2HH1      ARG   7  15.188  -0.596  -8.991
   55   HH21  ARG   7          1HH2      ARG   7  12.445  -1.903 -10.720
   56   HH22  ARG   7          2HH2      ARG   7  14.140  -1.561 -10.785
   57    H    LYS   8           H        LYS   8   8.531   3.363  -7.645
   58    HA   LYS   8           HA       LYS   8   9.816   4.376 -10.007
   59    HB2  LYS   8          2HB       LYS   8   6.997   3.768  -9.207
   60    HB3  LYS   8          3HB       LYS   8   7.288   4.767 -10.624
   61    HG2  LYS   8          2HG       LYS   8   8.971   2.467 -10.750
   62    HG3  LYS   8          3HG       LYS   8   7.310   1.959 -10.436
   63    HD2  LYS   8          2HD       LYS   8   7.286   2.054 -12.727
   64    HD3  LYS   8          3HD       LYS   8   6.769   3.696 -12.339
   65    HE2  LYS   8          2HE       LYS   8   8.504   4.506 -13.462
   66    HE3  LYS   8          3HE       LYS   8   9.604   3.663 -12.373
   67    HZ1  LYS   8          1HZ       LYS   8   8.823   1.681 -13.994
   68    HZ2  LYS   8          2HZ       LYS   8  10.219   2.606 -14.233
   69    HZ3  LYS   8          3HZ       LYS   8   8.798   2.989 -15.067
   70    H    CYS   9           H        CYS   9   7.556   5.722  -7.609
   71    HA   CYS   9           HA       CYS   9   8.324   8.413  -8.526
   72    HB2  CYS   9          2HB       CYS   9   5.749   7.260  -7.594
   73    HB3  CYS   9          3HB       CYS   9   6.100   8.916  -7.115
   74    HG   CYS   9           HG       CYS   9   6.748   9.363 -10.039
   75    HA   PRO  10           HA       PRO  10  10.108   7.884  -4.283
   76    HB2  PRO  10          2HB       PRO  10  12.464   9.095  -4.876
   77    HB3  PRO  10          3HB       PRO  10  12.173   7.374  -5.152
   78    HG2  PRO  10          2HG       PRO  10  12.063   9.649  -7.094
   79    HG3  PRO  10          3HG       PRO  10  12.766   8.034  -7.301
   80    HD2  PRO  10          2HD       PRO  10  10.337   8.703  -8.292
   81    HD3  PRO  10          3HD       PRO  10  10.722   7.062  -7.735
   82    H    LEU  11           H        LEU  11  10.628  10.705  -6.411
   83    HA   LEU  11           HA       LEU  11  10.753  12.609  -4.351
   84    HB2  LEU  11          2HB       LEU  11  10.802  14.208  -6.004
   85    HB3  LEU  11          3HB       LEU  11  11.387  12.780  -6.855
   86    HG   LEU  11           HG       LEU  11   8.803  12.579  -7.473
   87   HD11  LEU  11          1HD1      LEU  11   7.573  14.440  -7.323
   88   HD12  LEU  11          2HD1      LEU  11   8.918  15.483  -7.783
   89   HD13  LEU  11          3HD1      LEU  11   8.752  14.944  -6.112
   90   HD21  LEU  11          1HD2      LEU  11  10.444  12.598  -9.160
   91   HD22  LEU  11          2HD2      LEU  11  10.938  14.247  -8.777
   92   HD23  LEU  11          3HD2      LEU  11   9.373  13.948  -9.535
   93    H    PHE  12           H        PHE  12   8.112  10.899  -5.654
   94    HA   PHE  12           HA       PHE  12   6.217  12.804  -4.446
   95    HB2  PHE  12          2HB       PHE  12   6.206  11.477  -6.985
   96    HB3  PHE  12          3HB       PHE  12   4.823  10.924  -6.047
   97    HD1  PHE  12           HD1      PHE  12   5.242  12.845  -8.600
   98    HD2  PHE  12           HD2      PHE  12   4.214  13.382  -4.505
   99    HE1  PHE  12           HE1      PHE  12   4.032  14.908  -9.177
  100    HE2  PHE  12           HE2      PHE  12   3.001  15.445  -5.076
  101    HZ   PHE  12           HZ       PHE  12   2.908  16.211  -7.415
  102    H    GLY  13           H        GLY  13   7.808  10.109  -3.688
  103    HA2  GLY  13          2HA       GLY  13   5.936   8.202  -2.913
  104    HA3  GLY  13          3HA       GLY  13   7.487   8.458  -2.127
  105    H    LYS  14           H        LYS  14   4.112   9.479  -2.177
  106    HA   LYS  14           HA       LYS  14   3.944  11.249  -0.133
  107    HB2  LYS  14          2HB       LYS  14   2.160   9.333  -1.352
  108    HB3  LYS  14          3HB       LYS  14   1.830   9.468   0.370
  109    HG2  LYS  14          2HG       LYS  14   1.562  11.876   0.145
  110    HG3  LYS  14          3HG       LYS  14   1.930  11.763  -1.578
  111    HD2  LYS  14          2HD       LYS  14  -0.064   9.980  -1.441
  112    HD3  LYS  14          3HD       LYS  14  -0.531  11.031  -0.102
  113    HE2  LYS  14          2HE       LYS  14  -0.034  12.919  -1.884
  114    HE3  LYS  14          3HE       LYS  14  -0.371  11.611  -3.016
  115    HZ1  LYS  14          1HZ       LYS  14  -2.300  13.080  -2.246
  116    HZ2  LYS  14          2HZ       LYS  14  -2.227  12.204  -0.801
  117    HZ3  LYS  14          3HZ       LYS  14  -2.536  11.404  -2.259
  118    H    ASN  15           H        ASN  15   4.531   7.803   0.139
  119    HA   ASN  15           HA       ASN  15   4.040   7.235   2.746
  120    HB2  ASN  15          2HB       ASN  15   5.512   6.047   0.719
  121    HB3  ASN  15          3HB       ASN  15   6.699   6.294   1.997
  122   HD21  ASN  15          1HD2      ASN  15   3.814   4.642   1.042
  123   HD22  ASN  15          2HD2      ASN  15   3.767   3.526   2.360
  124    H    LYS  16           H        LYS  16   6.704   9.153   1.485
  125    HA   LYS  16           HA       LYS  16   7.448   9.827   4.257
  126    HB2  LYS  16          2HB       LYS  16   9.241   9.771   1.823
  127    HB3  LYS  16          3HB       LYS  16   9.731  10.239   3.446
  128    HG2  LYS  16          2HG       LYS  16   8.555   7.537   2.945
  129    HG3  LYS  16          3HG       LYS  16  10.256   7.857   2.597
  130    HD2  LYS  16          2HD       LYS  16   9.326   8.795   5.224
  131    HD3  LYS  16          3HD       LYS  16   9.304   7.043   5.006
  132    HE2  LYS  16          2HE       LYS  16  11.738   8.312   4.013
  133    HE3  LYS  16          3HE       LYS  16  11.483   8.545   5.741
  134    HZ1  LYS  16          1HZ       LYS  16  11.905   6.408   6.163
  135    HZ2  LYS  16          2HZ       LYS  16  12.605   6.365   4.624
  136    HZ3  LYS  16          3HZ       LYS  16  11.008   5.850   4.841
  137    H    SER  17           H        SER  17   6.910  10.990   0.991
  138    HA   SER  17           HA       SER  17   7.693  13.627   1.205
  139    HB2  SER  17          2HB       SER  17   5.141  12.883  -0.206
  140    HB3  SER  17          3HB       SER  17   6.359  14.069  -0.677
  141    HG   SER  17           HG       SER  17   6.949  12.456  -1.926
  142    H    ARG  18           H        ARG  18   4.589  12.183   2.138
  143    HA   ARG  18           HA       ARG  18   4.072  14.575   3.775
  144    HB2  ARG  18          2HB       ARG  18   2.349  13.253   1.763
  145    HB3  ARG  18          3HB       ARG  18   1.560  13.726   3.262
  146    HG2  ARG  18          2HG       ARG  18   3.244  15.655   1.706
  147    HG3  ARG  18          3HG       ARG  18   1.544  15.382   1.318
  148    HD2  ARG  18          2HD       ARG  18   2.354  15.992   4.129
  149    HD3  ARG  18          3HD       ARG  18   2.221  17.298   2.952
  150    HE   ARG  18           HE       ARG  18  -0.107  15.706   2.886
  151   HH11  ARG  18          1HH1      ARG  18   1.526  18.053   4.873
  152   HH12  ARG  18          2HH1      ARG  18   0.068  18.648   5.596
  153   HH21  ARG  18          1HH2      ARG  18  -2.033  16.481   3.831
  154   HH22  ARG  18          2HH2      ARG  18  -1.955  17.752   5.003
  Start of MODEL   15
    1    H1   VAL   1           H        VAL   1  -0.354   0.818  -1.383
    2    HA   VAL   1           HA       VAL   1   1.278  -0.947  -1.325
    3    HB   VAL   1           HB       VAL   1   2.337  -1.731  -3.371
    4   HG11  VAL   1          1HG1      VAL   1   0.707  -3.223  -3.620
    5   HG12  VAL   1          2HG1      VAL   1  -0.308  -2.192  -2.610
    6   HG13  VAL   1          3HG1      VAL   1  -0.352  -2.027  -4.366
    7   HG21  VAL   1          1HG2      VAL   1   0.577   0.312  -4.711
    8   HG22  VAL   1          2HG2      VAL   1   2.338   0.223  -4.732
    9   HG23  VAL   1          3HG2      VAL   1   1.383  -0.997  -5.576
   10    H    ALA   2           H        ALA   2   3.482  -0.598  -1.068
   11    HA   ALA   2           HA       ALA   2   4.445   2.062  -1.901
   12    HB1  ALA   2          1HB       ALA   2   5.056   2.564   0.185
   13    HB2  ALA   2          2HB       ALA   2   4.027   1.221   0.684
   14    HB3  ALA   2          3HB       ALA   2   5.757   0.968   0.455
   15    H    ARG   3           H        ARG   3   5.275  -1.306  -1.288
   16    HA   ARG   3           HA       ARG   3   7.993  -1.282  -1.765
   17    HB2  ARG   3          2HB       ARG   3   7.694  -3.632  -2.565
   18    HB3  ARG   3          3HB       ARG   3   6.917  -3.294  -1.025
   19    HG2  ARG   3          2HG       ARG   3   4.961  -2.759  -2.921
   20    HG3  ARG   3          3HG       ARG   3   5.771  -4.214  -3.506
   21    HD2  ARG   3          2HD       ARG   3   5.532  -5.038  -1.066
   22    HD3  ARG   3          3HD       ARG   3   4.322  -3.764  -0.923
   23    HE   ARG   3           HE       ARG   3   2.889  -5.041  -2.166
   24   HH11  ARG   3          1HH1      ARG   3   6.126  -6.258  -2.561
   25   HH12  ARG   3          2HH1      ARG   3   5.630  -7.663  -3.446
   26   HH21  ARG   3          1HH2      ARG   3   2.223  -6.886  -3.330
   27   HH22  ARG   3          2HH2      ARG   3   3.409  -8.018  -3.883
   28    H    GLY   4           H        GLY   4   5.359  -0.954  -4.026
   29    HA2  GLY   4          2HA       GLY   4   7.319  -0.882  -6.237
   30    HA3  GLY   4          3HA       GLY   4   5.643  -1.372  -6.432
   31    H    TRP   5           H        TRP   5   5.982   1.218  -4.291
   32    HA   TRP   5           HA       TRP   5   5.278   3.118  -6.432
   33    HB2  TRP   5          2HB       TRP   5   3.584   2.376  -4.507
   34    HB3  TRP   5          3HB       TRP   5   4.432   3.642  -3.625
   35    HD1  TRP   5           HD1      TRP   5   1.944   3.111  -6.441
   36    HE1  TRP   5           HE1      TRP   5   0.987   5.390  -7.159
   37    HE3  TRP   5           HE3      TRP   5   5.064   6.172  -3.790
   38    HZ2  TRP   5           HZ2      TRP   5   1.489   8.124  -6.667
   39    HZ3  TRP   5           HZ3      TRP   5   4.759   8.607  -3.969
   40    HH2  TRP   5           HH2      TRP   5   3.009   9.561  -5.379
   41    H    GLY   6           H        GLY   6   7.259   2.471  -3.664
   42    HA2  GLY   6          2HA       GLY   6   8.167   5.179  -3.318
   43    HA3  GLY   6          3HA       GLY   6   8.842   3.746  -2.558
   44    H    ARG   7           H        ARG   7   9.151   2.447  -5.233
   45    HA   ARG   7           HA       ARG   7  11.746   3.606  -5.831
   46    HB2  ARG   7          2HB       ARG   7  11.736   1.231  -5.621
   47    HB3  ARG   7          3HB       ARG   7  10.364   1.075  -6.709
   48    HG2  ARG   7          2HG       ARG   7  11.683   0.971  -8.489
   49    HG3  ARG   7          3HG       ARG   7  12.573   2.413  -7.997
   50    HD2  ARG   7          2HD       ARG   7  13.169   0.045  -6.388
   51    HD3  ARG   7          3HD       ARG   7  13.588  -0.128  -8.092
   52    HE   ARG   7           HE       ARG   7  14.930   1.473  -6.158
   53   HH11  ARG   7          1HH1      ARG   7  14.069   1.305  -9.528
   54   HH12  ARG   7          2HH1      ARG   7  15.405   2.276 -10.052
   55   HH21  ARG   7          1HH2      ARG   7  16.693   2.752  -6.836
   56   HH22  ARG   7          2HH2      ARG   7  16.897   3.097  -8.520
   57    H    LYS   8           H        LYS   8   8.608   3.173  -7.339
   58    HA   LYS   8           HA       LYS   8   9.443   4.070  -9.929
   59    HB2  LYS   8          2HB       LYS   8   7.246   2.736  -8.967
   60    HB3  LYS   8          3HB       LYS   8   6.593   4.339  -9.277
   61    HG2  LYS   8          2HG       LYS   8   7.075   4.224 -11.559
   62    HG3  LYS   8          3HG       LYS   8   8.198   2.878 -11.344
   63    HD2  LYS   8          2HD       LYS   8   5.639   2.112 -10.342
   64    HD3  LYS   8          3HD       LYS   8   5.436   2.782 -11.962
   65    HE2  LYS   8          2HE       LYS   8   6.545   1.078 -12.945
   66    HE3  LYS   8          3HE       LYS   8   7.703   0.932 -11.624
   67    HZ1  LYS   8          1HZ       LYS   8   5.544   0.049 -10.405
   68    HZ2  LYS   8          2HZ       LYS   8   6.552  -0.972 -11.301
   69    HZ3  LYS   8          3HZ       LYS   8   5.124  -0.380 -11.987
   70    H    CYS   9           H        CYS   9   7.582   5.531  -7.271
   71    HA   CYS   9           HA       CYS   9   8.136   8.170  -8.461
   72    HB2  CYS   9          2HB       CYS   9   5.699   7.034  -7.203
   73    HB3  CYS   9          3HB       CYS   9   6.064   8.717  -6.840
   74    HG   CYS   9           HG       CYS   9   4.192   8.062  -9.090
   75    HA   PRO  10           HA       PRO  10  10.347   7.901  -4.386
   76    HB2  PRO  10          2HB       PRO  10  12.653   9.008  -5.298
   77    HB3  PRO  10          3HB       PRO  10  12.309   7.277  -5.406
   78    HG2  PRO  10          2HG       PRO  10  12.045   9.396  -7.505
   79    HG3  PRO  10          3HG       PRO  10  12.700   7.754  -7.648
   80    HD2  PRO  10          2HD       PRO  10  10.195   8.399  -8.451
   81    HD3  PRO  10          3HD       PRO  10  10.608   6.798  -7.805
   82    H    LEU  11           H        LEU  11  10.701  10.535  -6.772
   83    HA   LEU  11           HA       LEU  11  11.050  12.589  -4.887
   84    HB2  LEU  11          2HB       LEU  11  10.983  14.052  -6.659
   85    HB3  LEU  11          3HB       LEU  11  11.453  12.547  -7.447
   86    HG   LEU  11           HG       LEU  11   8.818  12.377  -7.807
   87   HD11  LEU  11          1HD1      LEU  11   7.650  14.281  -7.693
   88   HD12  LEU  11          2HD1      LEU  11   8.973  15.248  -8.344
   89   HD13  LEU  11          3HD1      LEU  11   8.944  14.833  -6.630
   90   HD21  LEU  11          1HD2      LEU  11  10.269  12.218  -9.643
   91   HD22  LEU  11          2HD2      LEU  11  10.872  13.860  -9.421
   92   HD23  LEU  11          3HD2      LEU  11   9.230  13.595 -10.009
   93    H    PHE  12           H        PHE  12   8.275  10.843  -5.801
   94    HA   PHE  12           HA       PHE  12   6.529  12.880  -4.585
   95    HB2  PHE  12          2HB       PHE  12   6.266  11.369  -7.005
   96    HB3  PHE  12          3HB       PHE  12   4.965  10.919  -5.907
   97    HD1  PHE  12           HD1      PHE  12   5.172  12.630  -8.626
   98    HD2  PHE  12           HD2      PHE  12   4.546  13.503  -4.507
   99    HE1  PHE  12           HE1      PHE  12   3.948  14.672  -9.248
  100    HE2  PHE  12           HE2      PHE  12   3.320  15.545  -5.123
  101    HZ   PHE  12           HZ       PHE  12   3.019  16.132  -7.496
  102    H    GLY  13           H        GLY  13   8.140  10.224  -3.756
  103    HA2  GLY  13          2HA       GLY  13   6.312   8.422  -2.676
  104    HA3  GLY  13          3HA       GLY  13   7.932   8.700  -2.053
  105    H    LYS  14           H        LYS  14   4.583   9.795  -1.883
  106    HA   LYS  14           HA       LYS  14   4.633  11.718   0.026
  107    HB2  LYS  14          2HB       LYS  14   2.710   9.783  -0.899
  108    HB3  LYS  14          3HB       LYS  14   2.543  10.008   0.838
  109    HG2  LYS  14          2HG       LYS  14   2.619  12.546   0.220
  110    HG3  LYS  14          3HG       LYS  14   2.139  11.960  -1.375
  111    HD2  LYS  14          2HD       LYS  14   0.378  10.600   0.070
  112    HD3  LYS  14          3HD       LYS  14   0.646  11.932   1.196
  113    HE2  LYS  14          2HE       LYS  14   0.360  13.115  -1.325
  114    HE3  LYS  14          3HE       LYS  14  -0.886  11.871  -1.242
  115    HZ1  LYS  14          1HZ       LYS  14  -0.470  13.836   0.931
  116    HZ2  LYS  14          2HZ       LYS  14  -1.811  12.842   0.666
  117    HZ3  LYS  14          3HZ       LYS  14  -1.502  14.140  -0.374
  118    H    ASN  15           H        ASN  15   5.183   8.289   0.507
  119    HA   ASN  15           HA       ASN  15   4.915   7.930   3.184
  120    HB2  ASN  15          2HB       ASN  15   6.425   6.691   1.087
  121    HB3  ASN  15          3HB       ASN  15   7.418   6.765   2.539
  122   HD21  ASN  15          1HD2      ASN  15   6.404   5.964   4.541
  123   HD22  ASN  15          2HD2      ASN  15   5.346   4.602   4.427
  124    H    LYS  16           H        LYS  16   7.485   9.685   1.549
  125    HA   LYS  16           HA       LYS  16   8.494  10.538   4.184
  126    HB2  LYS  16          2HB       LYS  16  10.051  10.270   1.606
  127    HB3  LYS  16          3HB       LYS  16  10.698  10.840   3.139
  128    HG2  LYS  16          2HG       LYS  16   9.430   8.142   2.970
  129    HG3  LYS  16          3HG       LYS  16  11.084   8.384   2.402
  130    HD2  LYS  16          2HD       LYS  16  11.791   8.200   4.502
  131    HD3  LYS  16          3HD       LYS  16  10.896   9.667   4.903
  132    HE2  LYS  16          2HE       LYS  16   9.873   8.274   6.365
  133    HE3  LYS  16          3HE       LYS  16   8.883   7.906   4.953
  134    HZ1  LYS  16          1HZ       LYS  16  10.467   6.049   4.498
  135    HZ2  LYS  16          2HZ       LYS  16   9.547   5.860   5.904
  136    HZ3  LYS  16          3HZ       LYS  16  11.166   6.338   6.011
  137    H    SER  17           H        SER  17   7.678  11.480   0.903
  138    HA   SER  17           HA       SER  17   8.512  14.124   0.903
  139    HB2  SER  17          2HB       SER  17   5.930  13.188  -0.351
  140    HB3  SER  17          3HB       SER  17   6.992  14.485  -0.897
  141    HG   SER  17           HG       SER  17   7.041  12.121  -1.811
  142    H    ARG  18           H        ARG  18   5.256  12.919   1.730
  143    HA   ARG  18           HA       ARG  18   4.874  15.359   3.338
  144    HB2  ARG  18          2HB       ARG  18   3.306  14.353   1.239
  145    HB3  ARG  18          3HB       ARG  18   2.408  13.992   2.707
  146    HG2  ARG  18          2HG       ARG  18   3.331  16.638   2.961
  147    HG3  ARG  18          3HG       ARG  18   2.684  16.473   1.327
  148    HD2  ARG  18          2HD       ARG  18   0.682  15.324   2.482
  149    HD3  ARG  18          3HD       ARG  18   1.303  16.068   3.955
  150    HE   ARG  18           HE       ARG  18   1.110  18.037   1.975
  151   HH11  ARG  18          1HH1      ARG  18  -0.945  16.002   3.911
  152   HH12  ARG  18          2HH1      ARG  18  -2.269  17.119   3.914
  153   HH21  ARG  18          1HH2      ARG  18  -0.626  19.517   1.971
  154   HH22  ARG  18          2HH2      ARG  18  -2.087  19.118   2.809
  Start of MODEL   16
    1    H1   VAL   1           H        VAL   1  -0.076   0.695  -0.098
    2    HA   VAL   1           HA       VAL   1   1.906  -0.388  -0.394
    3    HB   VAL   1           HB       VAL   1   2.514  -0.976  -2.730
    4   HG11  VAL   1          1HG1      VAL   1   0.684  -2.101  -1.292
    5   HG12  VAL   1          2HG1      VAL   1  -0.440  -1.351  -2.428
    6   HG13  VAL   1          3HG1      VAL   1   0.776  -2.487  -3.010
    7   HG21  VAL   1          1HG2      VAL   1   0.275   0.930  -3.359
    8   HG22  VAL   1          2HG2      VAL   1   1.932   0.954  -3.961
    9   HG23  VAL   1          3HG2      VAL   1   0.819  -0.306  -4.494
   10    H    ALA   2           H        ALA   2   3.999   0.154  -0.216
   11    HA   ALA   2           HA       ALA   2   4.873   2.676  -1.469
   12    HB1  ALA   2          1HB       ALA   2   5.623   3.458   0.481
   13    HB2  ALA   2          2HB       ALA   2   4.650   2.193   1.231
   14    HB3  ALA   2          3HB       ALA   2   6.362   1.916   0.912
   15    H    ARG   3           H        ARG   3   5.773  -0.580  -0.475
   16    HA   ARG   3           HA       ARG   3   8.451  -0.619  -1.141
   17    HB2  ARG   3          2HB       ARG   3   8.036  -3.075  -1.691
   18    HB3  ARG   3          3HB       ARG   3   7.576  -2.534  -0.082
   19    HG2  ARG   3          2HG       ARG   3   5.455  -3.103  -0.403
   20    HG3  ARG   3          3HG       ARG   3   5.393  -2.271  -1.958
   21    HD2  ARG   3          2HD       ARG   3   5.105  -4.375  -2.735
   22    HD3  ARG   3          3HD       ARG   3   6.866  -4.395  -2.656
   23    HE   ARG   3           HE       ARG   3   5.673  -5.247  -0.209
   24   HH11  ARG   3          1HH1      ARG   3   6.517  -6.275  -3.426
   25   HH12  ARG   3          2HH1      ARG   3   6.648  -7.949  -2.998
   26   HH21  ARG   3          1HH2      ARG   3   5.842  -7.447   0.367
   27   HH22  ARG   3          2HH2      ARG   3   6.262  -8.614  -0.840
   28    H    GLY   4           H        GLY   4   5.662  -0.591  -3.230
   29    HA2  GLY   4          2HA       GLY   4   7.457  -0.825  -5.566
   30    HA3  GLY   4          3HA       GLY   4   5.774  -1.331  -5.572
   31    H    TRP   5           H        TRP   5   6.217   1.515  -3.823
   32    HA   TRP   5           HA       TRP   5   5.370   3.116  -6.148
   33    HB2  TRP   5          2HB       TRP   5   3.810   2.633  -4.033
   34    HB3  TRP   5          3HB       TRP   5   4.697   4.012  -3.390
   35    HD1  TRP   5           HD1      TRP   5   2.046   3.088  -5.947
   36    HE1  TRP   5           HE1      TRP   5   1.015   5.244  -6.904
   37    HE3  TRP   5           HE3      TRP   5   5.277   6.499  -3.930
   38    HZ2  TRP   5           HZ2      TRP   5   1.506   8.022  -6.816
   39    HZ3  TRP   5           HZ3      TRP   5   4.927   8.886  -4.415
   40    HH2  TRP   5           HH2      TRP   5   3.080   9.629  -5.829
   41    H    GLY   6           H        GLY   6   7.588   2.791  -3.534
   42    HA2  GLY   6          2HA       GLY   6   8.482   5.544  -3.618
   43    HA3  GLY   6          3HA       GLY   6   9.182   4.246  -2.662
   44    H    ARG   7           H        ARG   7   9.294   2.568  -5.183
   45    HA   ARG   7           HA       ARG   7  11.941   3.411  -5.958
   46    HB2  ARG   7          2HB       ARG   7  11.632   1.065  -5.673
   47    HB3  ARG   7          3HB       ARG   7  10.216   1.057  -6.716
   48    HG2  ARG   7          2HG       ARG   7  11.439   0.888  -8.583
   49    HG3  ARG   7          3HG       ARG   7  12.662   2.021  -8.005
   50    HD2  ARG   7          2HD       ARG   7  14.006   0.367  -7.354
   51    HD3  ARG   7          3HD       ARG   7  12.697  -0.448  -6.498
   52    HE   ARG   7           HE       ARG   7  12.300  -0.923  -9.196
   53   HH11  ARG   7          1HH1      ARG   7  14.730  -1.598  -6.797
   54   HH12  ARG   7          2HH1      ARG   7  15.256  -3.065  -7.553
   55   HH21  ARG   7          1HH2      ARG   7  12.983  -2.853 -10.202
   56   HH22  ARG   7          2HH2      ARG   7  14.263  -3.778  -9.491
   57    H    LYS   8           H        LYS   8   8.726   3.607  -7.233
   58    HA   LYS   8           HA       LYS   8   9.655   4.333  -9.895
   59    HB2  LYS   8          2HB       LYS   8   7.723   2.994  -9.974
   60    HB3  LYS   8          3HB       LYS   8   6.946   3.882  -8.670
   61    HG2  LYS   8          2HG       LYS   8   6.130   5.458 -10.049
   62    HG3  LYS   8          3HG       LYS   8   7.567   5.457 -11.075
   63    HD2  LYS   8          2HD       LYS   8   6.324   2.944 -11.399
   64    HD3  LYS   8          3HD       LYS   8   5.050   4.163 -11.495
   65    HE2  LYS   8          2HE       LYS   8   6.966   5.319 -13.013
   66    HE3  LYS   8          3HE       LYS   8   7.299   3.615 -13.318
   67    HZ1  LYS   8          1HZ       LYS   8   5.539   4.980 -14.715
   68    HZ2  LYS   8          2HZ       LYS   8   4.515   4.475 -13.467
   69    HZ3  LYS   8          3HZ       LYS   8   5.344   3.330 -14.395
   70    H    CYS   9           H        CYS   9   7.559   5.807  -7.410
   71    HA   CYS   9           HA       CYS   9   8.369   8.446  -8.438
   72    HB2  CYS   9          2HB       CYS   9   5.789   7.418  -7.332
   73    HB3  CYS   9          3HB       CYS   9   6.194   9.113  -7.092
   74    HG   CYS   9           HG       CYS   9   4.581   8.011  -9.522
   75    HA   PRO  10           HA       PRO  10  10.192   8.021  -4.195
   76    HB2  PRO  10          2HB       PRO  10  12.582   9.124  -4.862
   77    HB3  PRO  10          3HB       PRO  10  12.228   7.404  -5.063
   78    HG2  PRO  10          2HG       PRO  10  12.174   9.599  -7.098
   79    HG3  PRO  10          3HG       PRO  10  12.819   7.953  -7.244
   80    HD2  PRO  10          2HD       PRO  10  10.402   8.664  -8.237
   81    HD3  PRO  10          3HD       PRO  10  10.738   7.035  -7.616
   82    H    LEU  11           H        LEU  11  10.782  10.732  -6.445
   83    HA   LEU  11           HA       LEU  11  11.000  12.715  -4.471
   84    HB2  LEU  11          2HB       LEU  11  11.078  14.240  -6.191
   85    HB3  LEU  11          3HB       LEU  11  11.597  12.757  -6.990
   86    HG   LEU  11           HG       LEU  11   8.997  12.624  -7.558
   87   HD11  LEU  11          1HD1      LEU  11   9.231  15.516  -7.969
   88   HD12  LEU  11          2HD1      LEU  11   9.028  15.025  -6.288
   89   HD13  LEU  11          3HD1      LEU  11   7.839  14.541  -7.497
   90   HD21  LEU  11          1HD2      LEU  11   9.569  13.855  -9.690
   91   HD22  LEU  11          2HD2      LEU  11  10.635  12.518  -9.258
   92   HD23  LEU  11          3HD2      LEU  11  11.147  14.182  -8.973
   93    H    PHE  12           H        PHE  12   8.282  11.043  -5.664
   94    HA   PHE  12           HA       PHE  12   6.473  13.056  -4.501
   95    HB2  PHE  12          2HB       PHE  12   6.378  11.646  -6.994
   96    HB3  PHE  12          3HB       PHE  12   4.991  11.173  -6.018
   97    HD1  PHE  12           HD1      PHE  12   4.489  13.700  -4.551
   98    HD2  PHE  12           HD2      PHE  12   5.436  12.993  -8.640
   99    HE1  PHE  12           HE1      PHE  12   3.339  15.784  -5.175
  100    HE2  PHE  12           HE2      PHE  12   4.289  15.076  -9.270
  101    HZ   PHE  12           HZ       PHE  12   3.239  16.475  -7.537
  102    H    GLY  13           H        GLY  13   7.981  10.337  -3.670
  103    HA2  GLY  13          2HA       GLY  13   6.055   8.524  -2.805
  104    HA3  GLY  13          3HA       GLY  13   7.625   8.752  -2.049
  105    H    LYS  14           H        LYS  14   4.287   9.890  -2.090
  106    HA   LYS  14           HA       LYS  14   4.210  11.733  -0.107
  107    HB2  LYS  14          2HB       LYS  14   2.344   9.846  -1.239
  108    HB3  LYS  14          3HB       LYS  14   2.044  10.039   0.483
  109    HG2  LYS  14          2HG       LYS  14   1.109  12.025   0.176
  110    HG3  LYS  14          3HG       LYS  14   2.477  12.593  -0.784
  111    HD2  LYS  14          2HD       LYS  14   0.575  12.703  -2.194
  112    HD3  LYS  14          3HD       LYS  14   1.503  11.295  -2.719
  113    HE2  LYS  14          2HE       LYS  14  -0.815  10.692  -2.655
  114    HE3  LYS  14          3HE       LYS  14   0.008   9.872  -1.330
  115    HZ1  LYS  14          1HZ       LYS  14  -0.814  12.204  -0.215
  116    HZ2  LYS  14          2HZ       LYS  14  -1.599  10.714  -0.062
  117    HZ3  LYS  14          3HZ       LYS  14  -2.100  11.816  -1.244
  118    H    ASN  15           H        ASN  15   4.680   8.279   0.278
  119    HA   ASN  15           HA       ASN  15   4.207   7.820   2.910
  120    HB2  ASN  15          2HB       ASN  15   5.610   6.513   0.905
  121    HB3  ASN  15          3HB       ASN  15   6.819   6.757   2.162
  122   HD21  ASN  15          1HD2      ASN  15   6.979   4.661   2.797
  123   HD22  ASN  15          2HD2      ASN  15   5.699   3.792   3.566
  124    H    LYS  16           H        LYS  16   6.922   9.593   1.546
  125    HA   LYS  16           HA       LYS  16   7.730  10.335   4.282
  126    HB2  LYS  16          2HB       LYS  16   9.482  10.135   1.825
  127    HB3  LYS  16          3HB       LYS  16  10.013  10.639   3.424
  128    HG2  LYS  16          2HG       LYS  16   9.108   8.323   4.170
  129    HG3  LYS  16          3HG       LYS  16   9.241   7.924   2.456
  130    HD2  LYS  16          2HD       LYS  16  11.640   8.911   2.694
  131    HD3  LYS  16          3HD       LYS  16  11.391   8.618   4.416
  132    HE2  LYS  16          2HE       LYS  16  10.542   6.277   3.198
  133    HE3  LYS  16          3HE       LYS  16  11.967   6.748   2.273
  134    HZ1  LYS  16          1HZ       LYS  16  13.283   6.751   4.221
  135    HZ2  LYS  16          2HZ       LYS  16  12.406   5.305   4.246
  136    HZ3  LYS  16          3HZ       LYS  16  11.936   6.596   5.233
  137    H    SER  17           H        SER  17   7.181  11.407   0.987
  138    HA   SER  17           HA       SER  17   8.059  14.020   1.100
  139    HB2  SER  17          2HB       SER  17   5.461  13.320  -0.248
  140    HB3  SER  17          3HB       SER  17   6.712  14.446  -0.776
  141    HG   SER  17           HG       SER  17   8.065  12.447  -0.904
  142    H    ARG  18           H        ARG  18   4.681  13.002   1.651
  143    HA   ARG  18           HA       ARG  18   4.117  15.504   2.997
  144    HB2  ARG  18          2HB       ARG  18   2.459  14.532   1.470
  145    HB3  ARG  18          3HB       ARG  18   2.355  13.101   2.487
  146    HG2  ARG  18          2HG       ARG  18   1.217  14.216   4.165
  147    HG3  ARG  18          3HG       ARG  18   1.772  15.802   3.624
  148    HD2  ARG  18          2HD       ARG  18   0.399  14.929   1.442
  149    HD3  ARG  18          3HD       ARG  18  -0.529  14.202   2.753
  150    HE   ARG  18           HE       ARG  18  -0.187  16.797   3.521
  151   HH11  ARG  18          1HH1      ARG  18  -1.492  15.216   0.707
  152   HH12  ARG  18          2HH1      ARG  18  -2.626  16.480   0.363
  153   HH21  ARG  18          1HH2      ARG  18  -1.676  18.467   3.078
  154   HH22  ARG  18          2HH2      ARG  18  -2.729  18.329   1.712
  Start of MODEL   17
    1    H1   VAL   1           H        VAL   1   2.889   0.160   1.146
    2    HA   VAL   1           HA       VAL   1   3.224  -0.992  -0.914
    3    HB   VAL   1           HB       VAL   1   1.293   1.009  -2.093
    4   HG11  VAL   1          1HG1      VAL   1   2.649   0.361  -3.854
    5   HG12  VAL   1          2HG1      VAL   1   2.870  -1.270  -3.219
    6   HG13  VAL   1          3HG1      VAL   1   1.331  -0.806  -3.945
    7   HG21  VAL   1          1HG2      VAL   1   0.132  -1.454  -2.339
    8   HG22  VAL   1          2HG2      VAL   1   0.879  -1.554  -0.745
    9   HG23  VAL   1          3HG2      VAL   1  -0.267  -0.261  -1.103
   10    H    ALA   2           H        ALA   2   5.318  -0.255  -0.750
   11    HA   ALA   2           HA       ALA   2   5.884   2.312  -2.087
   12    HB1  ALA   2          1HB       ALA   2   7.160   2.954  -0.386
   13    HB2  ALA   2          2HB       ALA   2   6.539   1.573   0.519
   14    HB3  ALA   2          3HB       ALA   2   8.041   1.425  -0.392
   15    H    ARG   3           H        ARG   3   6.879  -1.030  -1.600
   16    HA   ARG   3           HA       ARG   3   9.208  -1.098  -3.093
   17    HB2  ARG   3          2HB       ARG   3   8.842  -3.465  -3.343
   18    HB3  ARG   3          3HB       ARG   3   8.297  -2.980  -1.743
   19    HG2  ARG   3          2HG       ARG   3   5.975  -2.772  -2.965
   20    HG3  ARG   3          3HG       ARG   3   6.725  -3.911  -4.084
   21    HD2  ARG   3          2HD       ARG   3   6.884  -5.572  -2.497
   22    HD3  ARG   3          3HD       ARG   3   6.885  -4.431  -1.152
   23    HE   ARG   3           HE       ARG   3   4.590  -5.600  -2.439
   24   HH11  ARG   3          1HH1      ARG   3   5.771  -2.959  -0.502
   25   HH12  ARG   3          2HH1      ARG   3   4.222  -2.599   0.185
   26   HH21  ARG   3          1HH2      ARG   3   2.545  -5.136  -1.541
   27   HH22  ARG   3          2HH2      ARG   3   2.388  -3.838  -0.406
   28    H    GLY   4           H        GLY   4   5.902  -0.864  -4.155
   29    HA2  GLY   4          2HA       GLY   4   6.824  -1.049  -6.956
   30    HA3  GLY   4          3HA       GLY   4   5.205  -1.486  -6.429
   31    H    TRP   5           H        TRP   5   6.068   1.176  -4.695
   32    HA   TRP   5           HA       TRP   5   4.861   2.992  -6.679
   33    HB2  TRP   5          2HB       TRP   5   3.657   2.291  -4.391
   34    HB3  TRP   5          3HB       TRP   5   4.639   3.620  -3.780
   35    HD1  TRP   5           HD1      TRP   5   1.607   2.889  -5.945
   36    HE1  TRP   5           HE1      TRP   5   0.439   5.107  -6.531
   37    HE3  TRP   5           HE3      TRP   5   5.130   6.151  -4.188
   38    HZ2  TRP   5           HZ2      TRP   5   0.944   7.873  -6.281
   39    HZ3  TRP   5           HZ3      TRP   5   4.711   8.566  -4.401
   40    HH2  TRP   5           HH2      TRP   5   2.661   9.407  -5.426
   41    H    GLY   6           H        GLY   6   6.683   3.226  -3.612
   42    HA2  GLY   6          2HA       GLY   6   7.833   5.705  -4.064
   43    HA3  GLY   6          3HA       GLY   6   8.544   4.451  -3.058
   44    H    ARG   7           H        ARG   7   8.690   2.628  -5.433
   45    HA   ARG   7           HA       ARG   7  11.334   3.292  -6.217
   46    HB2  ARG   7          2HB       ARG   7   9.385   1.231  -7.252
   47    HB3  ARG   7          3HB       ARG   7  11.046   1.363  -7.814
   48    HG2  ARG   7          2HG       ARG   7  10.299   0.927  -4.934
   49    HG3  ARG   7          3HG       ARG   7  10.641  -0.380  -6.068
   50    HD2  ARG   7          2HD       ARG   7  12.776   1.350  -6.384
   51    HD3  ARG   7          3HD       ARG   7  12.462   1.383  -4.650
   52    HE   ARG   7           HE       ARG   7  12.455  -1.281  -5.454
   53   HH11  ARG   7          1HH1      ARG   7  14.684   1.385  -5.262
   54   HH12  ARG   7          2HH1      ARG   7  16.074   0.377  -5.030
   55   HH21  ARG   7          1HH2      ARG   7  14.277  -2.620  -5.151
   56   HH22  ARG   7          2HH2      ARG   7  15.841  -1.902  -4.968
   57    H    LYS   8           H        LYS   8   8.217   3.381  -7.912
   58    HA   LYS   8           HA       LYS   8   9.378   4.471 -10.309
   59    HB2  LYS   8          2HB       LYS   8   7.060   3.114  -9.758
   60    HB3  LYS   8          3HB       LYS   8   6.476   4.762  -9.952
   61    HG2  LYS   8          2HG       LYS   8   7.400   4.893 -12.160
   62    HG3  LYS   8          3HG       LYS   8   8.188   3.325 -11.968
   63    HD2  LYS   8          2HD       LYS   8   6.280   2.830 -13.214
   64    HD3  LYS   8          3HD       LYS   8   5.811   2.421 -11.562
   65    HE2  LYS   8          2HE       LYS   8   4.583   4.451 -11.329
   66    HE3  LYS   8          3HE       LYS   8   5.230   5.085 -12.842
   67    HZ1  LYS   8          1HZ       LYS   8   3.762   2.565 -12.967
   68    HZ2  LYS   8          2HZ       LYS   8   3.817   3.840 -14.076
   69    HZ3  LYS   8          3HZ       LYS   8   2.858   3.967 -12.688
   70    H    CYS   9           H        CYS   9   7.304   5.709  -7.702
   71    HA   CYS   9           HA       CYS   9   7.948   8.439  -8.601
   72    HB2  CYS   9          2HB       CYS   9   5.479   7.214  -7.500
   73    HB3  CYS   9          3HB       CYS   9   5.848   8.852  -6.975
   74    HG   CYS   9           HG       CYS   9   6.288   9.203 -10.043
   75    HA   PRO  10           HA       PRO  10  10.091   7.793  -4.538
   76    HB2  PRO  10          2HB       PRO  10  12.396   9.008  -5.298
   77    HB3  PRO  10          3HB       PRO  10  12.073   7.295  -5.587
   78    HG2  PRO  10          2HG       PRO  10  11.815   9.613  -7.463
   79    HG3  PRO  10          3HG       PRO  10  12.490   8.001  -7.763
   80    HD2  PRO  10          2HD       PRO  10   9.990   8.701  -8.533
   81    HD3  PRO  10          3HD       PRO  10  10.411   7.046  -8.047
   82    H    LEU  11           H        LEU  11  10.448  10.659  -6.639
   83    HA   LEU  11           HA       LEU  11  10.751  12.515  -4.551
   84    HB2  LEU  11          2HB       LEU  11  10.683  14.150  -6.167
   85    HB3  LEU  11          3HB       LEU  11  11.184  12.739  -7.095
   86    HG   LEU  11           HG       LEU  11   8.557  12.571  -7.506
   87   HD11  LEU  11          1HD1      LEU  11   8.695  15.488  -7.738
   88   HD12  LEU  11          2HD1      LEU  11   8.615  14.885  -6.083
   89   HD13  LEU  11          3HD1      LEU  11   7.361  14.447  -7.242
   90   HD21  LEU  11          1HD2      LEU  11  10.587  14.262  -8.941
   91   HD22  LEU  11          2HD2      LEU  11   8.968  13.976  -9.578
   92   HD23  LEU  11          3HD2      LEU  11  10.065  12.619  -9.317
   93    H    PHE  12           H        PHE  12   8.005  10.845  -5.676
   94    HA   PHE  12           HA       PHE  12   6.223  12.732  -4.282
   95    HB2  PHE  12          2HB       PHE  12   6.003  11.458  -6.839
   96    HB3  PHE  12          3HB       PHE  12   4.696  10.891  -5.805
   97    HD1  PHE  12           HD1      PHE  12   4.226  13.319  -4.170
   98    HD2  PHE  12           HD2      PHE  12   4.920  12.862  -8.344
   99    HE1  PHE  12           HE1      PHE  12   2.983  15.399  -4.600
  100    HE2  PHE  12           HE2      PHE  12   3.679  14.941  -8.781
  101    HZ   PHE  12           HZ       PHE  12   2.710  16.213  -6.908
  102    H    GLY  13           H        GLY  13   7.853  10.011  -3.715
  103    HA2  GLY  13          2HA       GLY  13   6.044   8.094  -2.832
  104    HA3  GLY  13          3HA       GLY  13   7.649   8.336  -2.158
  105    H    LYS  14           H        LYS  14   4.279   9.351  -1.938
  106    HA   LYS  14           HA       LYS  14   4.256  11.084   0.141
  107    HB2  LYS  14          2HB       LYS  14   2.394   9.214  -0.994
  108    HB3  LYS  14          3HB       LYS  14   2.208   9.236   0.755
  109    HG2  LYS  14          2HG       LYS  14   2.097  11.764   0.562
  110    HG3  LYS  14          3HG       LYS  14   1.919  11.515  -1.176
  111    HD2  LYS  14          2HD       LYS  14  -0.273  11.344  -0.780
  112    HD3  LYS  14          3HD       LYS  14   0.089   9.759  -0.091
  113    HE2  LYS  14          2HE       LYS  14   0.564  11.109   2.079
  114    HE3  LYS  14          3HE       LYS  14  -0.385  12.370   1.294
  115    HZ1  LYS  14          1HZ       LYS  14  -2.228  10.847   1.105
  116    HZ2  LYS  14          2HZ       LYS  14  -1.737  10.940   2.721
  117    HZ3  LYS  14          3HZ       LYS  14  -1.318   9.593   1.786
  118    H    ASN  15           H        ASN  15   4.851   7.628   0.323
  119    HA   ASN  15           HA       ASN  15   4.577   7.037   2.956
  120    HB2  ASN  15          2HB       ASN  15   5.725   5.767   0.859
  121    HB3  ASN  15          3HB       ASN  15   7.156   6.148   1.811
  122   HD21  ASN  15          1HD2      ASN  15   6.032   3.562   1.238
  123   HD22  ASN  15          2HD2      ASN  15   5.639   2.841   2.759
  124    H    LYS  16           H        LYS  16   7.169   8.918   1.491
  125    HA   LYS  16           HA       LYS  16   8.158   9.548   4.196
  126    HB2  LYS  16          2HB       LYS  16   9.695   8.301   2.537
  127    HB3  LYS  16          3HB       LYS  16   9.802   9.840   1.694
  128    HG2  LYS  16          2HG       LYS  16  10.832  10.890   3.545
  129    HG3  LYS  16          3HG       LYS  16  10.464   9.530   4.609
  130    HD2  LYS  16          2HD       LYS  16  12.688   9.152   4.128
  131    HD3  LYS  16          3HD       LYS  16  11.891   8.171   2.896
  132    HE2  LYS  16          2HE       LYS  16  12.228  10.863   1.954
  133    HE3  LYS  16          3HE       LYS  16  13.771  10.222   2.515
  134    HZ1  LYS  16          1HZ       LYS  16  13.872   9.286   0.509
  135    HZ2  LYS  16          2HZ       LYS  16  12.224   9.507   0.200
  136    HZ3  LYS  16          3HZ       LYS  16  12.744   8.167   1.092
  137    H    SER  17           H        SER  17   7.415  10.815   0.991
  138    HA   SER  17           HA       SER  17   8.166  13.453   1.273
  139    HB2  SER  17          2HB       SER  17   5.558  12.766  -0.049
  140    HB3  SER  17          3HB       SER  17   6.784  13.932  -0.548
  141    HG   SER  17           HG       SER  17   7.206  12.302  -1.871
  142    H    ARG  18           H        ARG  18   4.868  12.215   1.856
  143    HA   ARG  18           HA       ARG  18   4.492  14.418   3.777
  144    HB2  ARG  18          2HB       ARG  18   2.908  13.566   1.552
  145    HB3  ARG  18          3HB       ARG  18   1.986  13.317   3.029
  146    HG2  ARG  18          2HG       ARG  18   2.465  15.684   3.644
  147    HG3  ARG  18          3HG       ARG  18   3.198  15.890   2.052
  148    HD2  ARG  18          2HD       ARG  18   0.553  14.674   1.946
  149    HD3  ARG  18          3HD       ARG  18   0.545  16.277   2.679
  150    HE   ARG  18           HE       ARG  18   2.060  16.309   0.297
  151   HH11  ARG  18          1HH1      ARG  18  -1.225  16.125   1.435
  152   HH12  ARG  18          2HH1      ARG  18  -1.896  16.855   0.014
  153   HH21  ARG  18          1HH2      ARG  18   1.188  17.271  -1.579
  154   HH22  ARG  18          2HH2      ARG  18  -0.523  17.505  -1.700
  Start of MODEL   18
    1    H1   VAL   1           H        VAL   1  -0.939  -0.465  -1.992
    2    HA   VAL   1           HA       VAL   1   1.367  -1.408  -1.403
    3    HB   VAL   1           HB       VAL   1   0.261  -1.911  -3.569
    4   HG11  VAL   1          1HG1      VAL   1   0.437  -0.593  -5.442
    5   HG12  VAL   1          2HG1      VAL   1   0.357   0.638  -4.180
    6   HG13  VAL   1          3HG1      VAL   1   1.913   0.194  -4.884
    7   HG21  VAL   1          1HG2      VAL   1   2.172  -2.785  -4.574
    8   HG22  VAL   1          2HG2      VAL   1   3.173  -1.418  -4.085
    9   HG23  VAL   1          3HG2      VAL   1   2.648  -2.601  -2.886
   10    H    ALA   2           H        ALA   2   3.523  -0.968  -1.255
   11    HA   ALA   2           HA       ALA   2   4.354   1.793  -1.875
   12    HB1  ALA   2          1HB       ALA   2   5.161   2.078   0.185
   13    HB2  ALA   2          2HB       ALA   2   4.219   0.654   0.628
   14    HB3  ALA   2          3HB       ALA   2   5.921   0.486   0.198
   15    H    ARG   3           H        ARG   3   5.294  -1.599  -1.733
   16    HA   ARG   3           HA       ARG   3   7.948  -1.449  -2.473
   17    HB2  ARG   3          2HB       ARG   3   7.603  -3.703  -3.503
   18    HB3  ARG   3          3HB       ARG   3   6.989  -3.559  -1.862
   19    HG2  ARG   3          2HG       ARG   3   4.723  -3.261  -2.742
   20    HG3  ARG   3          3HG       ARG   3   5.349  -3.435  -4.383
   21    HD2  ARG   3          2HD       ARG   3   4.955  -5.618  -4.160
   22    HD3  ARG   3          3HD       ARG   3   6.343  -5.651  -3.074
   23    HE   ARG   3           HE       ARG   3   4.017  -4.917  -1.652
   24   HH11  ARG   3          1HH1      ARG   3   5.540  -7.663  -3.156
   25   HH12  ARG   3          2HH1      ARG   3   4.788  -8.819  -2.107
   26   HH21  ARG   3          1HH2      ARG   3   3.021  -6.429  -0.265
   27   HH22  ARG   3          2HH2      ARG   3   3.355  -8.116  -0.464
   28    H    GLY   4           H        GLY   4   5.093  -0.941  -4.407
   29    HA2  GLY   4          2HA       GLY   4   6.815  -0.571  -6.781
   30    HA3  GLY   4          3HA       GLY   4   5.135  -1.082  -6.862
   31    H    TRP   5           H        TRP   5   5.650   1.262  -4.486
   32    HA   TRP   5           HA       TRP   5   4.702   3.369  -6.317
   33    HB2  TRP   5          2HB       TRP   5   3.224   2.371  -4.330
   34    HB3  TRP   5          3HB       TRP   5   4.138   3.554  -3.398
   35    HD1  TRP   5           HD1      TRP   5   1.384   3.271  -5.995
   36    HE1  TRP   5           HE1      TRP   5   0.323   5.588  -6.352
   37    HE3  TRP   5           HE3      TRP   5   4.709   6.103  -3.338
   38    HZ2  TRP   5           HZ2      TRP   5   0.829   8.263  -5.606
   39    HZ3  TRP   5           HZ3      TRP   5   4.348   8.534  -3.209
   40    HH2  TRP   5           HH2      TRP   5   2.448   9.590  -4.321
   41    H    GLY   6           H        GLY   6   6.965   2.471  -3.851
   42    HA2  GLY   6          2HA       GLY   6   7.862   5.153  -3.305
   43    HA3  GLY   6          3HA       GLY   6   8.624   3.665  -2.762
   44    H    ARG   7           H        ARG   7   9.556   2.360  -4.742
   45    HA   ARG   7           HA       ARG   7  11.718   3.824  -5.732
   46    HB2  ARG   7          2HB       ARG   7  10.522   1.196  -6.607
   47    HB3  ARG   7          3HB       ARG   7  12.001   1.847  -7.301
   48    HG2  ARG   7          2HG       ARG   7  12.237   1.912  -4.469
   49    HG3  ARG   7          3HG       ARG   7  11.686   0.307  -4.955
   50    HD2  ARG   7          2HD       ARG   7  13.893  -0.060  -5.248
   51    HD3  ARG   7          3HD       ARG   7  13.598   0.724  -6.800
   52    HE   ARG   7           HE       ARG   7  14.198   2.733  -4.991
   53   HH11  ARG   7          1HH1      ARG   7  15.765  -0.063  -6.348
   54   HH12  ARG   7          2HH1      ARG   7  17.358   0.608  -6.226
   55   HH21  ARG   7          1HH2      ARG   7  16.289   3.628  -4.825
   56   HH22  ARG   7          2HH2      ARG   7  17.655   2.708  -5.359
   57    H    LYS   8           H        LYS   8   8.579   3.110  -7.139
   58    HA   LYS   8           HA       LYS   8   9.195   4.059  -9.752
   59    HB2  LYS   8          2HB       LYS   8   7.167   2.601  -8.744
   60    HB3  LYS   8          3HB       LYS   8   6.391   4.178  -8.794
   61    HG2  LYS   8          2HG       LYS   8   7.591   3.993 -11.264
   62    HG3  LYS   8          3HG       LYS   8   7.037   2.346 -10.953
   63    HD2  LYS   8          2HD       LYS   8   4.794   3.317 -10.371
   64    HD3  LYS   8          3HD       LYS   8   5.392   4.872 -10.955
   65    HE2  LYS   8          2HE       LYS   8   5.354   4.220 -13.134
   66    HE3  LYS   8          3HE       LYS   8   5.713   2.537 -12.751
   67    HZ1  LYS   8          1HZ       LYS   8   3.425   2.974 -13.614
   68    HZ2  LYS   8          2HZ       LYS   8   3.096   3.805 -12.178
   69    HZ3  LYS   8          3HZ       LYS   8   3.477   2.157 -12.133
   70    H    CYS   9           H        CYS   9   7.382   5.486  -7.036
   71    HA   CYS   9           HA       CYS   9   7.817   8.129  -8.263
   72    HB2  CYS   9          2HB       CYS   9   5.469   6.928  -6.900
   73    HB3  CYS   9          3HB       CYS   9   5.792   8.625  -6.566
   74    HG   CYS   9           HG       CYS   9   5.722   7.642  -9.807
   75    HA   PRO  10           HA       PRO  10  10.187   7.968  -4.270
   76    HB2  PRO  10          2HB       PRO  10  12.428   9.120  -5.280
   77    HB3  PRO  10          3HB       PRO  10  12.126   7.380  -5.353
   78    HG2  PRO  10          2HG       PRO  10  11.731   9.461  -7.468
   79    HG3  PRO  10          3HG       PRO  10  12.422   7.835  -7.614
   80    HD2  PRO  10          2HD       PRO  10   9.875   8.405  -8.333
   81    HD3  PRO  10          3HD       PRO  10  10.352   6.824  -7.681
   82    H    LEU  11           H        LEU  11  10.385  10.576  -6.702
   83    HA   LEU  11           HA       LEU  11  10.749  12.665  -4.857
   84    HB2  LEU  11          2HB       LEU  11  10.578  14.101  -6.645
   85    HB3  LEU  11          3HB       LEU  11  11.061  12.598  -7.428
   86    HG   LEU  11           HG       LEU  11   8.421  12.353  -7.691
   87   HD11  LEU  11          1HD1      LEU  11   8.474  15.216  -8.276
   88   HD12  LEU  11          2HD1      LEU  11   8.525  14.831  -6.556
   89   HD13  LEU  11          3HD1      LEU  11   7.205  14.224  -7.556
   90   HD21  LEU  11          1HD2      LEU  11  10.377  13.861  -9.397
   91   HD22  LEU  11          2HD2      LEU  11   8.722  13.555  -9.922
   92   HD23  LEU  11          3HD2      LEU  11   9.803  12.204  -9.578
   93    H    PHE  12           H        PHE  12   7.989  10.836  -5.646
   94    HA   PHE  12           HA       PHE  12   6.236  12.846  -4.395
   95    HB2  PHE  12          2HB       PHE  12   5.924  11.289  -6.780
   96    HB3  PHE  12          3HB       PHE  12   4.677  10.824  -5.628
   97    HD1  PHE  12           HD1      PHE  12   4.243  13.419  -4.254
   98    HD2  PHE  12           HD2      PHE  12   4.738  12.494  -8.379
   99    HE1  PHE  12           HE1      PHE  12   2.942  15.419  -4.855
  100    HE2  PHE  12           HE2      PHE  12   3.439  14.493  -8.987
  101    HZ   PHE  12           HZ       PHE  12   2.540  15.959  -7.224
  102    H    GLY  13           H        GLY  13   7.944  10.240  -3.592
  103    HA2  GLY  13          2HA       GLY  13   6.206   8.412  -2.416
  104    HA3  GLY  13          3HA       GLY  13   7.840   8.740  -1.859
  105    H    LYS  14           H        LYS  14   4.472   9.747  -1.576
  106    HA   LYS  14           HA       LYS  14   4.529  11.704   0.291
  107    HB2  LYS  14          2HB       LYS  14   2.686   9.346   0.007
  108    HB3  LYS  14          3HB       LYS  14   2.438  10.535   1.279
  109    HG2  LYS  14          2HG       LYS  14   1.906  12.217  -0.212
  110    HG3  LYS  14          3HG       LYS  14   2.724  11.421  -1.559
  111    HD2  LYS  14          2HD       LYS  14   0.678  10.761  -2.184
  112    HD3  LYS  14          3HD       LYS  14   0.798   9.593  -0.865
  113    HE2  LYS  14          2HE       LYS  14  -0.076  11.656   0.546
  114    HE3  LYS  14          3HE       LYS  14  -0.716  12.149  -1.021
  115    HZ1  LYS  14          1HZ       LYS  14  -1.373   9.755   0.571
  116    HZ2  LYS  14          2HZ       LYS  14  -1.635   9.770  -1.100
  117    HZ3  LYS  14          3HZ       LYS  14  -2.417  10.899  -0.111
  118    H    ASN  15           H        ASN  15   5.185   8.296   0.836
  119    HA   ASN  15           HA       ASN  15   5.064   8.009   3.529
  120    HB2  ASN  15          2HB       ASN  15   6.334   6.654   1.428
  121    HB3  ASN  15          3HB       ASN  15   7.599   6.954   2.615
  122   HD21  ASN  15          1HD2      ASN  15   7.635   5.804   4.460
  123   HD22  ASN  15          2HD2      ASN  15   6.483   4.584   4.871
  124    H    LYS  16           H        LYS  16   7.546   9.736   1.722
  125    HA   LYS  16           HA       LYS  16   8.659  10.689   4.280
  126    HB2  LYS  16          2HB       LYS  16  10.132   9.270   2.702
  127    HB3  LYS  16          3HB       LYS  16  10.171  10.700   1.679
  128    HG2  LYS  16          2HG       LYS  16  11.252  11.979   3.366
  129    HG3  LYS  16          3HG       LYS  16  11.001  10.712   4.569
  130    HD2  LYS  16          2HD       LYS  16  12.407   9.739   2.221
  131    HD3  LYS  16          3HD       LYS  16  13.257  11.073   3.005
  132    HE2  LYS  16          2HE       LYS  16  12.228   9.163   4.927
  133    HE3  LYS  16          3HE       LYS  16  13.302   8.401   3.755
  134    HZ1  LYS  16          1HZ       LYS  16  13.939  10.140   5.917
  135    HZ2  LYS  16          2HZ       LYS  16  14.558  10.734   4.459
  136    HZ3  LYS  16          3HZ       LYS  16  14.965   9.176   4.978
  137    H    SER  17           H        SER  17   7.735  11.563   0.993
  138    HA   SER  17           HA       SER  17   8.457  14.222   0.924
  139    HB2  SER  17          2HB       SER  17   5.793  13.381  -0.170
  140    HB3  SER  17          3HB       SER  17   6.995  14.462  -0.874
  141    HG   SER  17           HG       SER  17   8.313  12.362  -0.853
  142    H    ARG  18           H        ARG  18   5.169  13.093   1.731
  143    HA   ARG  18           HA       ARG  18   4.649  15.597   3.110
  144    HB2  ARG  18          2HB       ARG  18   2.887  13.208   2.539
  145    HB3  ARG  18          3HB       ARG  18   2.346  14.663   3.365
  146    HG2  ARG  18          2HG       ARG  18   3.017  15.954   1.320
  147    HG3  ARG  18          3HG       ARG  18   3.269  14.403   0.517
  148    HD2  ARG  18          2HD       ARG  18   1.017  13.875   0.547
  149    HD3  ARG  18          3HD       ARG  18   0.677  14.961   1.893
  150    HE   ARG  18           HE       ARG  18   1.458  16.599  -0.157
  151   HH11  ARG  18          1HH1      ARG  18  -1.021  14.198   0.304
  152   HH12  ARG  18          2HH1      ARG  18  -2.136  14.951  -0.788
  153   HH21  ARG  18          1HH2      ARG  18  -0.001  17.599  -1.597
  154   HH22  ARG  18          2HH2      ARG  18  -1.554  16.885  -1.869
  Start of MODEL   19
    1    H1   VAL   1           H        VAL   1   0.891   1.949  -1.814
    2    HA   VAL   1           HA       VAL   1   2.623  -0.107  -0.623
    3    HB   VAL   1           HB       VAL   1   3.038  -1.052  -2.867
    4   HG11  VAL   1          1HG1      VAL   1   1.101  -1.713  -1.182
    5   HG12  VAL   1          2HG1      VAL   1   0.092  -1.235  -2.549
    6   HG13  VAL   1          3HG1      VAL   1   1.293  -2.513  -2.742
    7   HG21  VAL   1          1HG2      VAL   1   0.754  -0.221  -4.278
    8   HG22  VAL   1          2HG2      VAL   1   1.533   1.246  -3.686
    9   HG23  VAL   1          3HG2      VAL   1   2.443   0.101  -4.671
   10    H    ALA   2           H        ALA   2   4.827   0.076  -1.086
   11    HA   ALA   2           HA       ALA   2   5.624   2.613  -2.361
   12    HB1  ALA   2          1HB       ALA   2   7.594   1.631  -0.504
   13    HB2  ALA   2          2HB       ALA   2   6.774   3.192  -0.551
   14    HB3  ALA   2          3HB       ALA   2   6.030   1.830   0.287
   15    H    ARG   3           H        ARG   3   6.406  -0.775  -1.814
   16    HA   ARG   3           HA       ARG   3   8.847  -0.956  -3.107
   17    HB2  ARG   3          2HB       ARG   3   6.608  -2.989  -3.139
   18    HB3  ARG   3          3HB       ARG   3   8.297  -3.316  -3.501
   19    HG2  ARG   3          2HG       ARG   3   8.895  -3.353  -1.334
   20    HG3  ARG   3          3HG       ARG   3   7.782  -2.057  -0.894
   21    HD2  ARG   3          2HD       ARG   3   5.914  -3.724  -1.173
   22    HD3  ARG   3          3HD       ARG   3   7.152  -4.971  -1.312
   23    HE   ARG   3           HE       ARG   3   7.715  -3.614   1.015
   24   HH11  ARG   3          1HH1      ARG   3   5.034  -5.426  -0.269
   25   HH12  ARG   3          2HH1      ARG   3   4.489  -5.970   1.283
   26   HH21  ARG   3          1HH2      ARG   3   7.008  -4.324   3.064
   27   HH22  ARG   3          2HH2      ARG   3   5.612  -5.342   3.178
   28    H    GLY   4           H        GLY   4   5.663  -0.537  -4.438
   29    HA2  GLY   4          2HA       GLY   4   6.808  -0.758  -7.154
   30    HA3  GLY   4          3HA       GLY   4   5.135  -1.135  -6.771
   31    H    TRP   5           H        TRP   5   5.993   1.491  -4.956
   32    HA   TRP   5           HA       TRP   5   5.013   3.361  -7.014
   33    HB2  TRP   5          2HB       TRP   5   3.591   2.696  -4.844
   34    HB3  TRP   5          3HB       TRP   5   4.569   3.980  -4.139
   35    HD1  TRP   5           HD1      TRP   5   1.707   3.387  -6.562
   36    HE1  TRP   5           HE1      TRP   5   0.683   5.653  -7.224
   37    HE3  TRP   5           HE3      TRP   5   5.194   6.492  -4.479
   38    HZ2  TRP   5           HZ2      TRP   5   1.276   8.395  -6.906
   39    HZ3  TRP   5           HZ3      TRP   5   4.892   8.923  -4.703
   40    HH2  TRP   5           HH2      TRP   5   2.973   9.853  -5.892
   41    H    GLY   6           H        GLY   6   6.604   3.466  -3.814
   42    HA2  GLY   6          2HA       GLY   6   7.865   5.910  -4.091
   43    HA3  GLY   6          3HA       GLY   6   8.479   4.590  -3.106
   44    H    ARG   7           H        ARG   7   8.874   2.777  -5.328
   45    HA   ARG   7           HA       ARG   7  11.516   3.408  -5.991
   46    HB2  ARG   7          2HB       ARG   7  10.296   1.133  -6.045
   47    HB3  ARG   7          3HB       ARG   7   9.803   1.594  -7.668
   48    HG2  ARG   7          2HG       ARG   7  12.305   1.976  -8.101
   49    HG3  ARG   7          3HG       ARG   7  12.552   1.035  -6.629
   50    HD2  ARG   7          2HD       ARG   7  10.795   0.013  -8.829
   51    HD3  ARG   7          3HD       ARG   7  12.545  -0.181  -8.911
   52    HE   ARG   7           HE       ARG   7  11.509  -1.079  -6.418
   53   HH11  ARG   7          1HH1      ARG   7  11.867  -1.962  -9.767
   54   HH12  ARG   7          2HH1      ARG   7  11.836  -3.666  -9.456
   55   HH21  ARG   7          1HH2      ARG   7  11.467  -3.321  -5.996
   56   HH22  ARG   7          2HH2      ARG   7  11.608  -4.438  -7.311
   57    H    LYS   8           H        LYS   8   8.551   3.665  -7.934
   58    HA   LYS   8           HA       LYS   8   9.921   4.832 -10.169
   59    HB2  LYS   8          2HB       LYS   8   7.069   4.252  -9.480
   60    HB3  LYS   8          3HB       LYS   8   7.418   5.366 -10.795
   61    HG2  LYS   8          2HG       LYS   8   9.065   3.199 -11.298
   62    HG3  LYS   8          3HG       LYS   8   7.559   2.479 -10.727
   63    HD2  LYS   8          2HD       LYS   8   7.436   2.717 -13.114
   64    HD3  LYS   8          3HD       LYS   8   6.333   3.881 -12.377
   65    HE2  LYS   8          2HE       LYS   8   7.374   5.555 -13.400
   66    HE3  LYS   8          3HE       LYS   8   8.905   5.087 -12.662
   67    HZ1  LYS   8          1HZ       LYS   8   8.938   3.331 -14.531
   68    HZ2  LYS   8          2HZ       LYS   8   9.350   4.929 -14.902
   69    HZ3  LYS   8          3HZ       LYS   8   7.813   4.340 -15.293
   70    H    CYS   9           H        CYS   9   7.633   6.061  -7.733
   71    HA   CYS   9           HA       CYS   9   8.534   8.786  -8.394
   72    HB2  CYS   9          2HB       CYS   9   5.885   7.652  -7.748
   73    HB3  CYS   9          3HB       CYS   9   6.254   9.187  -6.973
   74    HG   CYS   9           HG       CYS   9   6.927  10.375  -9.526
   75    HA   PRO  10           HA       PRO  10  10.121   7.828  -4.144
   76    HB2  PRO  10          2HB       PRO  10  12.553   8.965  -4.547
   77    HB3  PRO  10          3HB       PRO  10  12.194   7.288  -4.973
   78    HG2  PRO  10          2HG       PRO  10  12.270   9.712  -6.727
   79    HG3  PRO  10          3HG       PRO  10  12.906   8.086  -7.037
   80    HD2  PRO  10          2HD       PRO  10  10.553   8.949  -8.062
   81    HD3  PRO  10          3HD       PRO  10  10.839   7.253  -7.625
   82    H    LEU  11           H        LEU  11  10.859  10.780  -6.015
   83    HA   LEU  11           HA       LEU  11  10.984  12.506  -3.803
   84    HB2  LEU  11          2HB       LEU  11  11.183  14.225  -5.317
   85    HB3  LEU  11          3HB       LEU  11  11.730  12.841  -6.261
   86    HG   LEU  11           HG       LEU  11   9.166  12.829  -6.987
   87   HD11  LEU  11          1HD1      LEU  11   9.167  15.068  -5.438
   88   HD12  LEU  11          2HD1      LEU  11   8.029  14.741  -6.744
   89   HD13  LEU  11          3HD1      LEU  11   9.450  15.741  -7.043
   90   HD21  LEU  11          1HD2      LEU  11  10.840  12.891  -8.624
   91   HD22  LEU  11          2HD2      LEU  11  11.454  14.447  -8.065
   92   HD23  LEU  11          3HD2      LEU  11   9.901  14.358  -8.896
   93    H    PHE  12           H        PHE  12   8.325  11.037  -5.343
   94    HA   PHE  12           HA       PHE  12   6.470  12.932  -4.061
   95    HB2  PHE  12          2HB       PHE  12   6.508  11.812  -6.698
   96    HB3  PHE  12          3HB       PHE  12   5.061  11.256  -5.862
   97    HD1  PHE  12           HD1      PHE  12   4.499  13.611  -4.152
   98    HD2  PHE  12           HD2      PHE  12   5.679  13.350  -8.233
   99    HE1  PHE  12           HE1      PHE  12   3.409  15.771  -4.601
  100    HE2  PHE  12           HE2      PHE  12   4.592  15.510  -8.689
  101    HZ   PHE  12           HZ       PHE  12   3.456  16.723  -6.872
  102    H    GLY  13           H        GLY  13   7.899  10.105  -3.469
  103    HA2  GLY  13          2HA       GLY  13   5.918   8.235  -2.925
  104    HA3  GLY  13          3HA       GLY  13   7.436   8.363  -2.048
  105    H    LYS  14           H        LYS  14   4.109   9.526  -2.179
  106    HA   LYS  14           HA       LYS  14   3.902  11.143  -0.017
  107    HB2  LYS  14          2HB       LYS  14   2.116   9.409  -1.469
  108    HB3  LYS  14          3HB       LYS  14   1.710   9.393   0.243
  109    HG2  LYS  14          2HG       LYS  14   1.931  12.007  -0.038
  110    HG3  LYS  14          3HG       LYS  14   1.576  11.614  -1.722
  111    HD2  LYS  14          2HD       LYS  14  -0.103  10.550   0.529
  112    HD3  LYS  14          3HD       LYS  14  -0.396  12.145  -0.168
  113    HE2  LYS  14          2HE       LYS  14  -0.212   9.682  -1.875
  114    HE3  LYS  14          3HE       LYS  14  -1.723  10.162  -1.104
  115    HZ1  LYS  14          1HZ       LYS  14  -0.524  12.364  -2.431
  116    HZ2  LYS  14          2HZ       LYS  14  -2.056  11.685  -2.660
  117    HZ3  LYS  14          3HZ       LYS  14  -0.725  11.071  -3.504
  118    H    ASN  15           H        ASN  15   4.324   7.658   0.025
  119    HA   ASN  15           HA       ASN  15   3.697   6.937   2.565
  120    HB2  ASN  15          2HB       ASN  15   5.279   5.865   0.509
  121    HB3  ASN  15          3HB       ASN  15   6.309   5.867   1.937
  122   HD21  ASN  15          1HD2      ASN  15   4.884   3.729   0.365
  123   HD22  ASN  15          2HD2      ASN  15   4.036   2.816   1.562
  124    H    LYS  16           H        LYS  16   6.527   8.767   1.544
  125    HA   LYS  16           HA       LYS  16   7.199   9.195   4.382
  126    HB2  LYS  16          2HB       LYS  16   8.876   7.966   2.848
  127    HB3  LYS  16          3HB       LYS  16   9.153   9.544   2.122
  128    HG2  LYS  16          2HG       LYS  16  10.025  10.429   4.115
  129    HG3  LYS  16          3HG       LYS  16   9.412   9.080   5.075
  130    HD2  LYS  16          2HD       LYS  16  11.301   8.447   2.876
  131    HD3  LYS  16          3HD       LYS  16  11.957   9.247   4.307
  132    HE2  LYS  16          2HE       LYS  16  10.211   7.172   5.162
  133    HE3  LYS  16          3HE       LYS  16  11.303   6.507   3.947
  134    HZ1  LYS  16          1HZ       LYS  16  12.732   6.315   5.628
  135    HZ2  LYS  16          2HZ       LYS  16  11.856   7.353   6.636
  136    HZ3  LYS  16          3HZ       LYS  16  12.945   7.989   5.508
  137    H    SER  17           H        SER  17   6.916  10.673   1.194
  138    HA   SER  17           HA       SER  17   7.737  13.250   1.726
  139    HB2  SER  17          2HB       SER  17   5.301  12.696   0.044
  140    HB3  SER  17          3HB       SER  17   6.548  13.920  -0.196
  141    HG   SER  17           HG       SER  17   7.546  12.517  -1.380
  142    H    ARG  18           H        ARG  18   4.304  12.280   1.690
  143    HA   ARG  18           HA       ARG  18   3.762  14.413   3.633
  144    HB2  ARG  18          2HB       ARG  18   2.474  13.697   1.274
  145    HB3  ARG  18          3HB       ARG  18   1.425  13.070   2.539
  146    HG2  ARG  18          2HG       ARG  18   1.014  15.178   3.420
  147    HG3  ARG  18          3HG       ARG  18   2.435  15.883   2.646
  148    HD2  ARG  18          2HD       ARG  18   1.387  15.690   0.473
  149    HD3  ARG  18          3HD       ARG  18  -0.003  14.873   1.186
  150    HE   ARG  18           HE       ARG  18   0.477  17.685   1.101
  151   HH11  ARG  18          1HH1      ARG  18  -1.001  15.144   2.966
  152   HH12  ARG  18          2HH1      ARG  18  -2.166  16.189   3.710
  153   HH21  ARG  18          1HH2      ARG  18  -1.051  19.071   2.074
  154   HH22  ARG  18          2HH2      ARG  18  -2.194  18.423   3.201
  Start of MODEL   20
    1    H1   VAL   1           H        VAL   1  -0.424   0.590  -1.498
    2    HA   VAL   1           HA       VAL   1   1.300  -1.074  -1.069
    3    HB   VAL   1           HB       VAL   1   2.763  -1.709  -3.015
    4   HG11  VAL   1          1HG1      VAL   1   0.809  -3.157  -4.060
    5   HG12  VAL   1          2HG1      VAL   1   1.418  -3.457  -2.432
    6   HG13  VAL   1          3HG1      VAL   1  -0.068  -2.536  -2.662
    7   HG21  VAL   1          1HG2      VAL   1   0.540  -0.957  -4.845
    8   HG22  VAL   1          2HG2      VAL   1   1.694   0.288  -4.368
    9   HG23  VAL   1          3HG2      VAL   1   2.258  -1.171  -5.183
   10    H    ALA   2           H        ALA   2   3.494  -0.558  -0.697
   11    HA   ALA   2           HA       ALA   2   4.248   2.177  -1.499
   12    HB1  ALA   2          1HB       ALA   2   4.595   2.753   0.622
   13    HB2  ALA   2          2HB       ALA   2   3.766   1.263   1.075
   14    HB3  ALA   2          3HB       ALA   2   5.524   1.288   0.941
   15    H    ARG   3           H        ARG   3   5.301  -1.113  -0.912
   16    HA   ARG   3           HA       ARG   3   8.058  -0.793  -1.184
   17    HB2  ARG   3          2HB       ARG   3   8.062  -3.184  -1.892
   18    HB3  ARG   3          3HB       ARG   3   7.148  -2.883  -0.419
   19    HG2  ARG   3          2HG       ARG   3   5.119  -3.277  -1.436
   20    HG3  ARG   3          3HG       ARG   3   5.741  -2.922  -3.049
   21    HD2  ARG   3          2HD       ARG   3   6.963  -5.214  -1.644
   22    HD3  ARG   3          3HD       ARG   3   5.284  -5.411  -2.144
   23    HE   ARG   3           HE       ARG   3   6.675  -4.403  -4.325
   24   HH11  ARG   3          1HH1      ARG   3   6.670  -7.270  -2.349
   25   HH12  ARG   3          2HH1      ARG   3   7.230  -8.305  -3.621
   26   HH21  ARG   3          1HH2      ARG   3   7.413  -5.756  -6.007
   27   HH22  ARG   3          2HH2      ARG   3   7.653  -7.442  -5.701
   28    H    GLY   4           H        GLY   4   5.533  -0.669  -3.546
   29    HA2  GLY   4          2HA       GLY   4   7.575  -0.527  -5.679
   30    HA3  GLY   4          3HA       GLY   4   5.960  -1.170  -5.933
   31    H    TRP   5           H        TRP   5   5.709   1.400  -3.860
   32    HA   TRP   5           HA       TRP   5   5.094   3.228  -6.088
   33    HB2  TRP   5          2HB       TRP   5   3.278   2.304  -4.378
   34    HB3  TRP   5          3HB       TRP   5   3.886   3.630  -3.391
   35    HD1  TRP   5           HD1      TRP   5   1.809   2.914  -6.486
   36    HE1  TRP   5           HE1      TRP   5   0.714   5.101  -7.288
   37    HE3  TRP   5           HE3      TRP   5   4.269   6.212  -3.452
   38    HZ2  TRP   5           HZ2      TRP   5   0.873   7.859  -6.712
   39    HZ3  TRP   5           HZ3      TRP   5   3.740   8.608  -3.641
   40    HH2  TRP   5           HH2      TRP   5   2.077   9.412  -5.238
   41    H    GLY   6           H        GLY   6   7.012   2.735  -3.314
   42    HA2  GLY   6          2HA       GLY   6   7.526   5.572  -2.887
   43    HA3  GLY   6          3HA       GLY   6   8.199   4.239  -1.959
   44    H    ARG   7           H        ARG   7   8.895   2.921  -4.618
   45    HA   ARG   7           HA       ARG   7  11.478   4.251  -4.887
   46    HB2  ARG   7          2HB       ARG   7  10.924   1.643  -4.644
   47    HB3  ARG   7          3HB       ARG   7  10.860   1.767  -6.397
   48    HG2  ARG   7          2HG       ARG   7  13.150   2.929  -6.176
   49    HG3  ARG   7          3HG       ARG   7  13.174   2.219  -4.560
   50    HD2  ARG   7          2HD       ARG   7  12.436   0.394  -6.753
   51    HD3  ARG   7          3HD       ARG   7  14.099   0.979  -6.774
   52    HE   ARG   7           HE       ARG   7  13.491   0.110  -4.182
   53   HH11  ARG   7          1HH1      ARG   7  13.948  -1.179  -7.384
   54   HH12  ARG   7          2HH1      ARG   7  14.507  -2.721  -6.825
   55   HH21  ARG   7          1HH2      ARG   7  14.226  -1.916  -3.434
   56   HH22  ARG   7          2HH2      ARG   7  14.664  -3.139  -4.578
   57    H    LYS   8           H        LYS   8   8.720   3.247  -6.863
   58    HA   LYS   8           HA       LYS   8   9.741   4.064  -9.352
   59    HB2  LYS   8          2HB       LYS   8   7.867   2.646  -9.420
   60    HB3  LYS   8          3HB       LYS   8   6.958   3.647  -8.294
   61    HG2  LYS   8          2HG       LYS   8   6.207   5.018  -9.910
   62    HG3  LYS   8          3HG       LYS   8   7.721   4.955 -10.816
   63    HD2  LYS   8          2HD       LYS   8   6.818   2.410 -11.116
   64    HD3  LYS   8          3HD       LYS   8   5.299   3.306 -11.057
   65    HE2  LYS   8          2HE       LYS   8   7.608   3.729 -12.946
   66    HE3  LYS   8          3HE       LYS   8   5.991   3.149 -13.344
   67    HZ1  LYS   8          1HZ       LYS   8   6.937   5.843 -12.982
   68    HZ2  LYS   8          2HZ       LYS   8   5.499   5.520 -12.151
   69    HZ3  LYS   8          3HZ       LYS   8   5.582   5.275 -13.823
   70    H    CYS   9           H        CYS   9   7.429   5.734  -7.207
   71    HA   CYS   9           HA       CYS   9   8.169   8.258  -8.528
   72    HB2  CYS   9          2HB       CYS   9   5.620   7.152  -7.607
   73    HB3  CYS   9          3HB       CYS   9   5.898   8.802  -7.063
   74    HG   CYS   9           HG       CYS   9   4.376   9.071  -9.313
   75    HA   PRO  10           HA       PRO  10  10.026   8.551  -4.322
   76    HB2  PRO  10          2HB       PRO  10  12.212   9.931  -5.151
   77    HB3  PRO  10          3HB       PRO  10  12.114   8.167  -5.199
   78    HG2  PRO  10          2HG       PRO  10  11.696  10.148  -7.404
   79    HG3  PRO  10          3HG       PRO  10  12.576   8.609  -7.435
   80    HD2  PRO  10          2HD       PRO  10  10.062   8.870  -8.408
   81    HD3  PRO  10          3HD       PRO  10  10.648   7.367  -7.666
   82    H    LEU  11           H        LEU  11  10.155  11.114  -6.805
   83    HA   LEU  11           HA       LEU  11  10.153  13.284  -5.046
   84    HB2  LEU  11          2HB       LEU  11   9.856  14.626  -6.893
   85    HB3  LEU  11          3HB       LEU  11  10.561  13.173  -7.597
   86    HG   LEU  11           HG       LEU  11   7.987  12.571  -7.936
   87   HD11  LEU  11          1HD1      LEU  11   7.739  15.423  -8.602
   88   HD12  LEU  11          2HD1      LEU  11   7.678  15.040  -6.882
   89   HD13  LEU  11          3HD1      LEU  11   6.536  14.286  -7.994
   90   HD21  LEU  11          1HD2      LEU  11   8.237  13.795 -10.199
   91   HD22  LEU  11          2HD2      LEU  11   9.372  12.507  -9.795
   92   HD23  LEU  11          3HD2      LEU  11   9.854  14.195  -9.620
   93    H    PHE  12           H        PHE  12   7.640  11.132  -5.915
   94    HA   PHE  12           HA       PHE  12   5.642  12.930  -4.708
   95    HB2  PHE  12          2HB       PHE  12   5.578  11.411  -7.137
   96    HB3  PHE  12          3HB       PHE  12   4.342  10.794  -6.046
   97    HD1  PHE  12           HD1      PHE  12   4.358  12.548  -8.754
   98    HD2  PHE  12           HD2      PHE  12   3.576  13.281  -4.635
   99    HE1  PHE  12           HE1      PHE  12   2.887  14.422  -9.370
  100    HE2  PHE  12           HE2      PHE  12   2.103  15.155  -5.244
  101    HZ   PHE  12           HZ       PHE  12   1.756  15.728  -7.614
  102    H    GLY  13           H        GLY  13   7.574  10.485  -3.901
  103    HA2  GLY  13          2HA       GLY  13   5.992   8.461  -2.834
  104    HA3  GLY  13          3HA       GLY  13   7.559   8.942  -2.202
  105    H    LYS  14           H        LYS  14   4.097   9.611  -2.048
  106    HA   LYS  14           HA       LYS  14   3.854  11.507  -0.152
  107    HB2  LYS  14          2HB       LYS  14   1.805  10.406   0.614
  108    HB3  LYS  14          3HB       LYS  14   1.937  10.350  -1.138
  109    HG2  LYS  14          2HG       LYS  14   1.359   8.200  -0.827
  110    HG3  LYS  14          3HG       LYS  14   3.087   8.005  -0.526
  111    HD2  LYS  14          2HD       LYS  14   2.443   8.564   1.935
  112    HD3  LYS  14          3HD       LYS  14   0.819   8.100   1.423
  113    HE2  LYS  14          2HE       LYS  14   3.308   6.404   1.250
  114    HE3  LYS  14          3HE       LYS  14   1.983   6.201   2.395
  115    HZ1  LYS  14          1HZ       LYS  14   1.852   5.861  -0.551
  116    HZ2  LYS  14          2HZ       LYS  14   0.506   5.811   0.473
  117    HZ3  LYS  14          3HZ       LYS  14   1.723   4.645   0.618
  118    H    ASN  15           H        ASN  15   4.791   8.155   0.425
  119    HA   ASN  15           HA       ASN  15   4.663   7.858   3.101
  120    HB2  ASN  15          2HB       ASN  15   6.606   6.412   2.990
  121    HB3  ASN  15          3HB       ASN  15   5.647   6.202   1.528
  122   HD21  ASN  15          1HD2      ASN  15   6.465   6.845  -0.429
  123   HD22  ASN  15          2HD2      ASN  15   8.113   7.314  -0.650
  124    H    LYS  16           H        LYS  16   7.111   9.742   1.375
  125    HA   LYS  16           HA       LYS  16   8.026  10.812   3.962
  126    HB2  LYS  16          2HB       LYS  16   9.657   9.592   2.372
  127    HB3  LYS  16          3HB       LYS  16   9.557  11.044   1.383
  128    HG2  LYS  16          2HG       LYS  16  10.430  12.388   3.173
  129    HG3  LYS  16          3HG       LYS  16  10.391  11.010   4.276
  130    HD2  LYS  16          2HD       LYS  16  11.881   9.987   2.269
  131    HD3  LYS  16          3HD       LYS  16  12.322  11.692   2.153
  132    HE2  LYS  16          2HE       LYS  16  13.551  11.595   4.013
  133    HE3  LYS  16          3HE       LYS  16  12.280  10.752   4.898
  134    HZ1  LYS  16          1HZ       LYS  16  13.414   8.985   3.037
  135    HZ2  LYS  16          2HZ       LYS  16  13.430   8.886   4.725
  136    HZ3  LYS  16          3HZ       LYS  16  14.669   9.705   3.914
  137    H    SER  17           H        SER  17   7.064  11.653   0.675
  138    HA   SER  17           HA       SER  17   7.491  14.379   0.683
  139    HB2  SER  17          2HB       SER  17   4.962  13.282  -0.499
  140    HB3  SER  17          3HB       SER  17   6.060  14.498  -1.150
  141    HG   SER  17           HG       SER  17   7.530  12.874  -1.623
  142    H    ARG  18           H        ARG  18   4.457  12.736   1.596
  143    HA   ARG  18           HA       ARG  18   3.652  15.164   3.035
  144    HB2  ARG  18          2HB       ARG  18   2.137  12.856   1.862
  145    HB3  ARG  18          3HB       ARG  18   1.411  13.832   3.132
  146    HG2  ARG  18          2HG       ARG  18   2.547  15.479   1.045
  147    HG3  ARG  18          3HG       ARG  18   1.360  14.336   0.411
  148    HD2  ARG  18          2HD       ARG  18  -0.361  15.221   1.675
  149    HD3  ARG  18          3HD       ARG  18   0.736  15.907   2.873
  150    HE   ARG  18           HE       ARG  18   1.154  17.168   0.394
  151   HH11  ARG  18          1HH1      ARG  18  -1.201  16.960   2.949
  152   HH12  ARG  18          2HH1      ARG  18  -1.829  18.552   2.677
  153   HH21  ARG  18          1HH2      ARG  18   0.335  19.265   0.026
  154   HH22  ARG  18          2HH2      ARG  18  -0.955  19.862   1.014