*HEADER    HORMONE/GROWTH FACTOR                   20-SEP-00   1FVN              
*TITLE     [ALA31, AIB32]-NEUROPEPTIDE Y                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEUROPEPTIDE Y;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS A DESIGNED SYNTHETIC                  
*SOURCE   4 MOLECULE. THE SEQUENCE OF THE PEPTIDE IS DERIVED FROM NPY            
*SOURCE   5 NATURALLY FOUND IN SUS SCROFA (PIG).                                 
*KEYWDS    ALPHA, 310-HELIX                                                      
*EXPDTA    NMR, 30 STRUCTURES                                                    
*AUTHOR    R.BADER, O.ZERBE, A.G.BECK-SICKINGER                                  
*REVDAT   1   04-OCT-00 1FVN    0                                                
  5 PRO  QB      6 ASP- HN      4.44                
  6 ASP- HB2     7 ASN  HN      4.60                
  6 ASP- HB3     7 ASN  HN      4.60                
  6 ASP- QB      7 ASN  HN      4.38                
  7 ASN  HN      7 ASN  HB2     4.17                
  7 ASN  HN      7 ASN  HB3     4.17                
  8 PRO  QD      9 GLY  HN      5.59                
  9 GLY  HN     10 GLU- HN      2.46                
  9 GLY  HN     10 GLU- QB      4.92                
  9 GLY  QA     11 ASP- HN      5.04                
 10 GLU- HN     11 ASP- HN      3.55                
 11 ASP- HN     12 ALA  HN      5.50                
 11 ASP- HA     12 ALA  QB      5.94                
 12 ALA  QB     15 GLU- HB2     5.41                
 12 ALA  QB     15 GLU- HB3     5.41                
 12 ALA  QB     15 GLU- QB      5.09                
 13 PRO  HA     14 ALA  HN      3.36                
 13 PRO  HA     15 GLU- HN      3.92                
 13 PRO  HA     16 ASP- QB      4.98                
 13 PRO  HA     17 LEU  HN      4.76                
 13 PRO  QB     14 ALA  HN      4.24                
 13 PRO  QD     14 ALA  HN      5.59                
 14 ALA  HA     16 ASP- HN      3.92                
 14 ALA  HA     17 LEU  HN      3.52                
 14 ALA  HA     17 LEU  HB2     4.54                
 14 ALA  HA     17 LEU  HB3     4.54                
 14 ALA  HA     17 LEU  QB      4.08                
 14 ALA  QB     15 GLU- HA      6.16                
 15 GLU- HN     15 GLU- HB2     3.76                
 15 GLU- HN     15 GLU- HB3     3.76                
 15 GLU- HN     15 GLU- QB      3.47                
 15 GLU- HN     15 GLU- QG      6.38                
 15 GLU- HN     16 ASP- HN      2.40                
 15 GLU- HA     18 ALA  HN      4.20                
 15 GLU- HA     18 ALA  QB      5.44                
 15 GLU- HB2    16 ASP- HN      4.20                
 15 GLU- HB3    16 ASP- HN      4.20                
 15 GLU- QB     16 ASP- HN      3.92                
 16 ASP- HN     17 LEU  HN      2.40                
 16 ASP- HA     19 ARG+ QB      5.45                
 17 LEU  HN     17 LEU  HB2     3.11                
 17 LEU  HN     17 LEU  HB3     3.11                
 17 LEU  HN     17 LEU  QB      2.78                
 17 LEU  HN     17 LEU  QD1     6.53                
 17 LEU  HN     17 LEU  QD2     6.53                
 17 LEU  HA     17 LEU  QD1     5.88                
 17 LEU  HA     17 LEU  QD2     5.88                
 17 LEU  HA     19 ARG+ QG      6.38                
 17 LEU  HA     20 TYR  HN      3.48                
 17 LEU  HA     20 TYR  HB2     3.79                
 17 LEU  HA     20 TYR  HB3     3.79                
 17 LEU  HA     20 TYR  QB      3.55                
 17 LEU  HA     20 TYR  QD      7.08                
 17 LEU  HA     20 TYR  QE      7.48                
 17 LEU  QB     20 TYR  QB      7.25                
 17 LEU  HG     20 TYR  QD      7.64                
 17 LEU  HG     21 TYR  QD      7.64                
 17 LEU  HG     21 TYR  QE      7.32                
 17 LEU  QD1    20 TYR  HB2     6.53                
 17 LEU  QD1    20 TYR  HB3     6.53                
 17 LEU  QD1    20 TYR  QD      8.67                
 17 LEU  QD1    20 TYR  QE      8.66                
 17 LEU  QD1    21 TYR  QE      8.66                
 17 LEU  QD2    20 TYR  HB2     6.53                
 17 LEU  QD2    20 TYR  HB3     6.53                
 17 LEU  QD2    20 TYR  QD      8.67                
 17 LEU  QD2    20 TYR  QE      8.66                
 17 LEU  QD2    21 TYR  QE      8.66                
 17 LEU  QQD    20 TYR  QB      5.87                
 17 LEU  QQD    20 TYR  QD      8.29                
 17 LEU  QQD    20 TYR  QE      7.82                
 17 LEU  QQD    21 TYR  HA      7.48                
 17 LEU  QQD    21 TYR  QD     10.24                
 18 ALA  HN     19 ARG+ HN      3.17                
 18 ALA  HA     21 TYR  HN      3.64                
 18 ALA  HA     21 TYR  HB2     3.24                
 18 ALA  HA     21 TYR  HB3     3.24                
 18 ALA  HA     21 TYR  QB      3.01                
 18 ALA  HA     21 TYR  QD      7.64                
 18 ALA  HA     21 TYR  QE      7.63                
 18 ALA  QB     21 TYR  HB2     6.53                
 18 ALA  QB     21 TYR  HB3     6.53                
 18 ALA  QB     21 TYR  QB      6.12                
 18 ALA  QB     21 TYR  QD      8.67                
 19 ARG+ HN     19 ARG+ QG      4.42                
 19 ARG+ HA     19 ARG+ QD      6.38                
 19 ARG+ HA     20 TYR  HN      3.30                
 19 ARG+ HA     21 TYR  HN      3.83                
 19 ARG+ HA     22 SER  HN      3.76                
 19 ARG+ HA     22 SER  QB      3.87                
 19 ARG+ HA     23 ALA  HN      3.92                
 19 ARG+ QB     19 ARG+ HE      6.38                
 19 ARG+ QB     20 TYR  HN      4.55                
 20 TYR  HN     20 TYR  HB2     3.30                
 20 TYR  HN     20 TYR  HB3     3.30                
 20 TYR  HN     21 TYR  HN      2.40                
 20 TYR  HA     22 SER  HN      5.50                
 20 TYR  HA     23 ALA  HN      3.92                
 20 TYR  HA     23 ALA  QB      5.44                
 20 TYR  QB     23 ALA  QB      7.40                
 20 TYR  QB     24 LEU  QB      7.25                
 20 TYR  QD     21 TYR  HN      7.64                
 20 TYR  QD     21 TYR  HA      7.64                
 20 TYR  QD     23 ALA  QB      8.67                
 20 TYR  QD     24 LEU  QB      8.52                
 20 TYR  QE     23 ALA  QB      8.54                
 20 TYR  QE     24 LEU  QB      8.51                
 21 TYR  HN     21 TYR  HB2     3.52                
 21 TYR  HN     21 TYR  HB3     3.52                
 21 TYR  HN     21 TYR  QB      3.20                
 21 TYR  HN     22 SER  HN      2.40                
 21 TYR  HN     24 LEU  QB      5.14                
 21 TYR  HA     23 ALA  HN      4.69                
 21 TYR  HA     24 LEU  HN      4.32                
 21 TYR  HA     24 LEU  QB      4.49                
 21 TYR  HA     24 LEU  QD1     6.53                
 21 TYR  HA     24 LEU  QD2     6.53                
 21 TYR  HA     25 ARG+ HN      5.13                
 21 TYR  HB2    22 SER  HN      3.24                
 21 TYR  HB2    24 LEU  QB      6.38                
 21 TYR  HB2    24 LEU  QD1     8.28                
 21 TYR  HB2    24 LEU  QD2     8.28                
 21 TYR  HB3    22 SER  HN      3.24                
 21 TYR  HB3    24 LEU  QB      6.38                
 21 TYR  HB3    24 LEU  QD1     8.28                
 21 TYR  HB3    24 LEU  QD2     8.28                
 21 TYR  QB     24 LEU  QQD     6.60                
 21 TYR  QD     22 SER  HN      7.02                
 21 TYR  QD     22 SER  HA      7.64                
 21 TYR  QD     24 LEU  HA      7.64                
 21 TYR  QD     24 LEU  QB      8.52                
 21 TYR  QD     24 LEU  QD1     8.67                
 21 TYR  QD     24 LEU  QD2     8.67                
 21 TYR  QD     25 ARG+ QB      8.52                
 21 TYR  QD     25 ARG+ QD      8.52                
 22 SER  HN     22 SER  HB2     3.86                
 22 SER  HN     22 SER  HB3     3.86                
 22 SER  HN     22 SER  QB      3.52                
 22 SER  HN     23 ALA  HN      2.40                
 22 SER  HA     25 ARG+ HN      4.79                
 22 SER  HA     25 ARG+ QB      4.05                
 22 SER  HB2    23 ALA  HN      4.17                
 22 SER  HB3    23 ALA  HN      4.17                
 22 SER  QB     23 ALA  HN      3.70                
 23 ALA  HN     24 LEU  HN      2.40                
 23 ALA  HA     25 ARG+ HN      5.50                
 23 ALA  HA     26 HIS  HN      4.14                
 23 ALA  HA     26 HIS  HB2     3.92                
 23 ALA  HA     26 HIS  HB3     3.92                
 23 ALA  HA     26 HIS  QB      3.68                
 23 ALA  HA     27 TYR  HN      4.14                
 24 LEU  HN     24 LEU  QB      3.68                
 24 LEU  HN     24 LEU  QD1     6.53                
 24 LEU  HN     24 LEU  QD2     6.53                
 24 LEU  HN     24 LEU  QQD     5.49                
 24 LEU  HA     24 LEU  QD1     6.53                
 24 LEU  HA     24 LEU  QD2     6.53                
 24 LEU  HA     25 ARG+ HN      3.24                
 24 LEU  HA     27 TYR  HN      4.07                
 24 LEU  HA     27 TYR  HB2     4.29                
 24 LEU  HA     27 TYR  HB3     4.29                
 24 LEU  HA     27 TYR  QB      4.09                
 24 LEU  HA     27 TYR  QD      6.59                
 24 LEU  HA     28 ILE  HN      3.79                
 24 LEU  QB     27 TYR  QD      8.52                
 24 LEU  QD1    25 ARG+ HN      6.53                
 24 LEU  QD1    27 TYR  HN      6.53                
 24 LEU  QD1    27 TYR  QD      8.67                
 24 LEU  QD1    27 TYR  QE      8.66                
 24 LEU  QD2    25 ARG+ HN      6.53                
 24 LEU  QD2    27 TYR  HN      6.53                
 24 LEU  QD2    27 TYR  QD      8.67                
 24 LEU  QD2    27 TYR  QE      8.66                
 24 LEU  QQD    27 TYR  HN      5.93                
 24 LEU  QQD    27 TYR  HA      7.91                
 24 LEU  QQD    27 TYR  QD      8.02                
 24 LEU  QQD    27 TYR  QE      8.25                
 25 ARG+ HN     26 HIS  HN      5.50                
 25 ARG+ HA     25 ARG+ QG      3.61                
 25 ARG+ HA     25 ARG+ QD      6.38                
 25 ARG+ HA     27 TYR  HN      4.57                
 25 ARG+ HA     28 ILE  HN      4.72                
 25 ARG+ HA     28 ILE  HB      2.87                
 25 ARG+ QB     25 ARG+ HE      6.38                
 25 ARG+ QB     26 HIS  HN      4.30                
 25 ARG+ HG2    26 HIS  HN      5.50                
 25 ARG+ HG3    26 HIS  HN      5.50                
 25 ARG+ QG     26 HIS  HN      4.66                
 26 HIS  HN     26 HIS  HB2     3.64                
 26 HIS  HN     26 HIS  HB3     3.64                
 26 HIS  HA     29 ASN  HB2     3.64                
 26 HIS  HA     29 ASN  HB3     3.64                
 26 HIS  HB2    27 TYR  HN      3.79                
 26 HIS  HB2    27 TYR  QD      7.64                
 26 HIS  HB3    27 TYR  HN      3.79                
 26 HIS  HB3    27 TYR  QD      7.64                
 26 HIS  QB     27 TYR  QD      7.36                
 27 TYR  HN     27 TYR  HB2     3.33                
 27 TYR  HN     27 TYR  HB3     3.33                
 27 TYR  HN     28 ILE  HN      2.40                
 27 TYR  HA     30 LEU  QB      5.26                
 27 TYR  HB2    28 ILE  HN      4.11                
 27 TYR  HB3    28 ILE  HN      4.11                
 27 TYR  QD     28 ILE  HN      7.64                
 27 TYR  QD     28 ILE  HA      7.64                
 27 TYR  QD     28 ILE  QG1     8.52                
 27 TYR  QD     30 LEU  HG      7.17                
 27 TYR  QD     30 LEU  QQD     9.77                
 27 TYR  QD     31 ALA  QB      8.67                
 27 TYR  QE     30 LEU  HG      7.63                
 27 TYR  QE     30 LEU  QQD     9.76                
 27 TYR  QE     31 ALA  QB      8.66                
 28 ILE  HN     28 ILE  HB      3.27                
 28 ILE  HN     28 ILE  QG1     3.74                
 28 ILE  HN     28 ILE  QD1     4.85                
 28 ILE  HN     29 ASN  HN      2.40                
 28 ILE  HA     28 ILE  QG1     3.69                
 28 ILE  HA     29 ASN  HN      3.52                
 28 ILE  HA     31 ALA  QB      6.34                
 28 ILE  HB     29 ASN  HN      4.04                
 28 ILE  QG2    29 ASN  HN      5.66                
 28 ILE  QG2    31 ALA  HA      5.57                
 28 ILE  QG1    29 ASN  HN      5.23                
 29 ASN  HN     29 ASN  HB2     3.73                
 29 ASN  HN     29 ASN  HB3     3.73                
 29 ASN  HN     29 ASN  QB      3.53                
 29 ASN  HN     30 LEU  HN      5.50                
 29 ASN  HA     32 AIB  QB1     6.54                
 29 ASN  HA     32 AIB  QB2     6.54                
 29 ASN  HA     32 AIB  QQB     6.06                
 29 ASN  HB2    30 LEU  HN      4.35                
 29 ASN  HB3    30 LEU  HN      4.35                
 29 ASN  QB     30 LEU  HN      4.02                
 30 LEU  HN     30 LEU  HG      3.83                
 30 LEU  HN     30 LEU  QQD     7.63                
 30 LEU  HA     31 ALA  HN      3.45                
 31 ALA  HN     32 AIB  HN      5.50                
 31 ALA  HA     32 AIB  HN      3.33                
 31 ALA  HA     33 ARG+ HN      3.86                
 31 ALA  HA     34 GLN  HN      4.01                
 32 AIB  HN     33 ARG+ HN      3.05                
 32 AIB  QB1    33 ARG+ HB2     8.30                
 32 AIB  QB1    33 ARG+ HB3     8.30                
 32 AIB  QB1    35 ARG+ QB      7.42                
 32 AIB  QB2    33 ARG+ HB2     8.30                
 32 AIB  QB2    33 ARG+ HB3     8.30                
 32 AIB  QB2    35 ARG+ QB      7.42                
 32 AIB  QQB    33 ARG+ QB      5.97                
 32 AIB  QQB    35 ARG+ QB      6.18                
 33 ARG+ HN     33 ARG+ HB2     4.20                
 33 ARG+ HN     33 ARG+ HB3     4.20                
 33 ARG+ HN     33 ARG+ QB      3.83                
 33 ARG+ HN     33 ARG+ QG      5.91                
 33 ARG+ HN     34 GLN  HN      2.99                
 33 ARG+ HA     33 ARG+ QD      6.38                
 33 ARG+ HA     37 CONH HN1     4.07                
 33 ARG+ HB2    33 ARG+ HE      5.50                
 33 ARG+ HB3    33 ARG+ HE      5.50                
 33 ARG+ QB     34 GLN  HN      4.55                
 33 ARG+ HE     36 TYR  QB      6.38                
 34 GLN  HN     34 GLN  HB2     3.86                
 34 GLN  HN     34 GLN  HB3     3.86                
 34 GLN  HN     34 GLN  QB      3.57                
 34 GLN  HN     34 GLN  QG      6.38                
 34 GLN  HA     36 TYR  HN      4.35                
 34 GLN  HB2    35 ARG+ HN      4.04                
 34 GLN  HB3    35 ARG+ HN      4.04                
 35 ARG+ HA     36 TYR  HN      3.08                
 35 ARG+ QB     35 ARG+ HE      6.22                
 35 ARG+ QB     36 TYR  HN      4.24                
 35 ARG+ HG2    35 ARG+ QH2     6.37                
 35 ARG+ HG3    35 ARG+ QH2     6.37                
 36 TYR  HN     36 TYR  HB2     4.17                
 36 TYR  HN     36 TYR  HB3     4.17                

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    TYR   1           H        TYR   1  -6.188   9.384 -11.626
    2    HA   TYR   1           HA       TYR   1  -3.250   9.313 -11.463
    3   1HB   TYR   1          HB1       TYR   1  -5.002   8.379 -13.796
    4   2HB   TYR   1          HB2       TYR   1  -3.342   7.924 -13.472
    5    HD1  TYR   1           HD1      TYR   1  -6.847   7.197 -12.791
    6    HD2  TYR   1           HD2      TYR   1  -2.822   6.281 -11.667
    7    HE1  TYR   1           HE1      TYR   1  -7.647   5.087 -11.619
    8    HE2  TYR   1           HE2      TYR   1  -3.635   4.174 -10.499
    9    HH   TYR   1           HH       TYR   1  -5.321   2.851 -10.147
   10    HA   PRO   2           HA       PRO   2  -4.688  13.091 -13.583
   11   1HB   PRO   2          HB1       PRO   2  -3.592  14.951 -11.907
   12   2HB   PRO   2          HB2       PRO   2  -5.258  14.422 -11.792
   13   1HG   PRO   2          HG1       PRO   2  -2.968  13.723 -10.059
   14   2HG   PRO   2          HG2       PRO   2  -4.682  13.562  -9.731
   15   1HD   PRO   2          HD1       PRO   2  -2.867  11.459 -10.447
   16   2HD   PRO   2          HD2       PRO   2  -4.601  11.320 -10.232
   17    H    SER   3           H        SER   3  -3.140  15.239 -13.995
   18    HA   SER   3           HA       SER   3  -1.360  15.912 -15.037
   19   1HB   SER   3          HB1       SER   3   0.304  13.595 -14.029
   20   2HB   SER   3          HB2       SER   3   0.792  15.255 -14.303
   21    HG   SER   3           HG       SER   3  -0.091  14.125 -12.003
   22    H    LYS   4           H        LYS   4  -2.576  15.210 -17.012
   23    HA   LYS   4           HA       LYS   4  -1.911  12.678 -18.159
   24   1HB   LYS   4          HB1       LYS   4  -3.148  14.860 -19.776
   25   2HB   LYS   4          HB2       LYS   4  -3.523  13.149 -19.719
   26   1HG   LYS   4          HG1       LYS   4  -4.285  13.676 -17.229
   27   2HG   LYS   4          HG2       LYS   4  -4.363  15.333 -17.794
   28   1HD   LYS   4          HD1       LYS   4  -6.531  14.630 -18.287
   29   2HD   LYS   4          HD2       LYS   4  -5.742  14.287 -19.814
   30   1HE   LYS   4          HE1       LYS   4  -5.654  12.109 -17.747
   31   2HE   LYS   4          HE2       LYS   4  -7.218  12.439 -18.464
   32   1HZ   LYS   4          HZ1       LYS   4  -5.325  12.410 -20.491
   33   2HZ   LYS   4          HZ2       LYS   4  -5.090  11.072 -19.585
   34   3HZ   LYS   4          HZ3       LYS   4  -6.554  11.363 -20.246
   35    HA   PRO   5           HA       PRO   5   0.790  15.517 -20.808
   36   1HB   PRO   5          HB1       PRO   5   1.242  18.094 -20.018
   37   2HB   PRO   5          HB2       PRO   5   0.019  17.652 -21.193
   38   1HG   PRO   5          HG1       PRO   5  -0.327  18.443 -18.366
   39   2HG   PRO   5          HG2       PRO   5  -1.518  18.413 -19.651
   40   1HD   PRO   5          HD1       PRO   5  -1.233  16.503 -17.530
   41   2HD   PRO   5          HD2       PRO   5  -2.347  16.412 -18.879
   42    H    ASP   6           H        ASP   6   2.280  13.982 -20.093
   43    HA   ASP   6           HA       ASP   6   4.049  13.286 -19.042
   44   1HB   ASP   6          HB1       ASP   6   4.606  16.269 -19.184
   45   2HB   ASP   6          HB2       ASP   6   5.770  15.191 -18.441
   46    H    ASN   7           H        ASN   7   3.220  12.466 -17.044
   47    HA   ASN   7           HA       ASN   7   2.454  14.189 -14.968
   48   1HB   ASN   7          HB1       ASN   7   2.456  12.013 -13.609
   49   2HB   ASN   7          HB2       ASN   7   1.471  11.972 -15.058
   50   1HD2  ASN   7          HD2       ASN   7   2.167  10.855 -16.886
   51   2HD2  ASN   7          HD2       ASN   7   3.381   9.621 -16.825
   52    HA   PRO   8           HA       PRO   8   6.332  14.594 -12.959
   53   1HB   PRO   8          HB1       PRO   8   5.639  14.828 -10.326
   54   2HB   PRO   8          HB2       PRO   8   5.517  16.150 -11.470
   55   1HG   PRO   8          HG1       PRO   8   3.359  14.484 -10.327
   56   2HG   PRO   8          HG2       PRO   8   3.240  16.044 -11.116
   57   1HD   PRO   8          HD1       PRO   8   2.577  13.493 -12.248
   58   2HD   PRO   8          HD2       PRO   8   2.569  15.040 -13.072
   59    H    GLY   9           H        GLY   9   7.454  13.828 -10.614
   60   1HA   GLY   9          HA1       GLY   9   6.974  11.199  -9.851
   61   2HA   GLY   9          HA2       GLY   9   8.095  11.132 -11.197
   62    H    GLU  10           H        GLU  10   7.707  13.571  -8.531
   63    HA   GLU  10           HA       GLU  10  10.485  12.986  -7.853
   64   1HB   GLU  10          HB1       GLU  10   9.237  15.653  -7.211
   65   2HB   GLU  10          HB2       GLU  10  10.917  15.264  -7.520
   66   1HG   GLU  10          HG1       GLU  10   9.757  14.570  -9.936
   67   2HG   GLU  10          HG2       GLU  10   8.737  15.908  -9.445
   68    H    ASP  11           H        ASP  11   7.288  14.145  -6.595
   69    HA   ASP  11           HA       ASP  11   7.222  12.418  -4.500
   70   1HB   ASP  11          HB1       ASP  11   9.206  14.255  -3.951
   71   2HB   ASP  11          HB2       ASP  11   7.822  15.057  -3.234
   72    H    ALA  12           H        ALA  12   4.979  12.420  -4.290
   73    HA   ALA  12           HA       ALA  12   3.525  14.589  -3.396
   74   1HB   ALA  12          HB1       ALA  12   3.652  14.301  -6.406
   75   2HB   ALA  12          HB2       ALA  12   2.207  14.967  -5.607
   76   3HB   ALA  12          HB3       ALA  12   3.782  15.774  -5.415
   77    HA   PRO  13           HA       PRO  13   0.730  11.313  -3.010
   78   1HB   PRO  13          HB1       PRO  13  -1.655  12.594  -2.634
   79   2HB   PRO  13          HB2       PRO  13  -0.461  12.400  -1.366
   80   1HG   PRO  13          HG1       PRO  13  -1.132  14.820  -2.926
   81   2HG   PRO  13          HG2       PRO  13  -0.274  14.699  -1.403
   82   1HD   PRO  13          HD1       PRO  13   0.877  15.164  -3.989
   83   2HD   PRO  13          HD2       PRO  13   1.742  14.927  -2.483
   84    H    ALA  14           H        ALA  14  -1.272  10.178  -3.807
   85    HA   ALA  14           HA       ALA  14  -2.668   9.645  -5.478
   86   1HB   ALA  14          HB1       ALA  14  -2.586  12.261  -5.912
   87   2HB   ALA  14          HB2       ALA  14  -1.606  11.777  -7.316
   88   3HB   ALA  14          HB3       ALA  14  -3.264  11.158  -7.133
   89    H    GLU  15           H        GLU  15   0.565  10.833  -6.629
   90    HA   GLU  15           HA       GLU  15   0.706   8.570  -8.392
   91   1HB   GLU  15          HB1       GLU  15   1.548  11.058  -8.781
   92   2HB   GLU  15          HB2       GLU  15   2.982  10.506  -7.938
   93   1HG   GLU  15          HG1       GLU  15   2.124   8.556  -9.962
   94   2HG   GLU  15          HG2       GLU  15   2.384  10.135 -10.675
   95    H    ASP  16           H        ASP  16   1.198   9.058  -5.128
   96    HA   ASP  16           HA       ASP  16   3.487   7.261  -5.079
   97   1HB   ASP  16          HB1       ASP  16   3.736   9.404  -3.831
   98   2HB   ASP  16          HB2       ASP  16   2.294   9.044  -2.903
   99    H    LEU  17           H        LEU  17   0.063   7.711  -4.396
  100    HA   LEU  17           HA       LEU  17  -0.204   5.686  -2.436
  101   1HB   LEU  17          HB1       LEU  17  -1.762   7.712  -3.461
  102   2HB   LEU  17          HB2       LEU  17  -2.547   6.276  -4.089
  103    HG   LEU  17           HG       LEU  17  -2.083   5.668  -1.401
  104   1HD1  LEU  17          HD1       LEU  17  -3.554   8.130  -1.003
  105   2HD1  LEU  17          HD1       LEU  17  -2.143   7.487  -0.128
  106   3HD1  LEU  17          HD1       LEU  17  -1.910   8.454  -1.605
  107   1HD2  LEU  17          HD2       LEU  17  -4.628   6.750  -2.639
  108   2HD2  LEU  17          HD2       LEU  17  -4.040   5.078  -2.804
  109   3HD2  LEU  17          HD2       LEU  17  -4.486   5.710  -1.201
  110    H    ALA  18           H        ALA  18   0.208   5.718  -5.909
  111    HA   ALA  18           HA       ALA  18  -1.113   3.340  -6.543
  112   1HB   ALA  18          HB1       ALA  18   1.400   4.038  -7.987
  113   2HB   ALA  18          HB2       ALA  18  -0.231   3.709  -8.620
  114   3HB   ALA  18          HB3       ALA  18   0.150   5.303  -7.926
  115    H    ARG  19           H        ARG  19   2.316   4.018  -5.575
  116    HA   ARG  19           HA       ARG  19   3.189   1.433  -5.801
  117   1HB   ARG  19          HB1       ARG  19   4.066   3.624  -3.852
  118   2HB   ARG  19          HB2       ARG  19   4.981   2.158  -4.145
  119   1HG   ARG  19          HG1       ARG  19   4.242   3.504  -6.660
  120   2HG   ARG  19          HG2       ARG  19   5.160   4.560  -5.605
  121   1HD   ARG  19          HD1       ARG  19   7.068   3.195  -5.654
  122   2HD   ARG  19          HD2       ARG  19   6.150   1.731  -5.944
  123    HE   ARG  19           HE       ARG  19   5.722   3.276  -8.231
  124   1HH1  ARG  19          HH1       ARG  19   8.607   2.523 -10.044
  125   2HH1  ARG  19          HH1       ARG  19   6.982   3.116 -10.131
  126   1HH2  ARG  19          HH2       ARG  19   9.503   1.888  -7.999
  127   2HH2  ARG  19          HH2       ARG  19   8.547   2.009  -6.560
  128    H    TYR  20           H        TYR  20   1.050   2.922  -3.470
  129    HA   TYR  20           HA       TYR  20   1.511   0.825  -1.497
  130   1HB   TYR  20          HB1       TYR  20   1.209   2.982  -0.503
  131   2HB   TYR  20          HB2       TYR  20   0.131   3.517  -1.777
  132    HD1  TYR  20           HD1      TYR  20  -2.195   3.524  -1.440
  133    HD2  TYR  20           HD2      TYR  20   0.292   1.214   1.164
  134    HE1  TYR  20           HE1      TYR  20  -4.192   3.054   0.061
  135    HE2  TYR  20           HE2      TYR  20  -1.713   0.752   2.657
  136    HH   TYR  20           HH       TYR  20  -3.981   2.100   3.092
  137    H    TYR  21           H        TYR  21  -0.411   1.431  -4.278
  138    HA   TYR  21           HA       TYR  21  -2.618  -0.195  -3.255
  139   1HB   TYR  21          HB1       TYR  21  -2.117   1.979  -5.198
  140   2HB   TYR  21          HB2       TYR  21  -2.922   0.642  -5.996
  141    HD1  TYR  21           HD1      TYR  21  -3.568   3.669  -4.582
  142    HD2  TYR  21           HD2      TYR  21  -4.892  -0.387  -4.268
  143    HE1  TYR  21           HE1      TYR  21  -5.804   4.462  -3.668
  144    HE2  TYR  21           HE2      TYR  21  -7.123   0.419  -3.355
  145    HH   TYR  21           HH       TYR  21  -7.616   3.282  -2.075
  146    H    SER  22           H        SER  22   0.149  -0.201  -5.478
  147    HA   SER  22           HA       SER  22  -0.796  -2.504  -6.862
  148   1HB   SER  22          HB1       SER  22   1.472  -0.619  -7.050
  149   2HB   SER  22          HB2       SER  22   1.932  -2.270  -7.413
  150    HG   SER  22           HG       SER  22   1.231  -1.317  -9.348
  151    H    ALA  23           H        ALA  23   1.335  -1.715  -4.113
  152    HA   ALA  23           HA       ALA  23   2.409  -4.385  -3.980
  153   1HB   ALA  23          HB1       ALA  23   2.673  -2.525  -1.677
  154   2HB   ALA  23          HB2       ALA  23   3.916  -3.460  -2.542
  155   3HB   ALA  23          HB3       ALA  23   3.320  -1.928  -3.223
  156    H    LEU  24           H        LEU  24  -0.382  -2.599  -2.838
  157    HA   LEU  24           HA       LEU  24  -0.885  -4.057  -0.500
  158   1HB   LEU  24          HB1       LEU  24  -2.424  -2.500  -0.332
  159   2HB   LEU  24          HB2       LEU  24  -2.037  -1.942  -1.948
  160    HG   LEU  24           HG       LEU  24  -4.390  -2.292  -1.836
  161   1HD1  LEU  24          HD1       LEU  24  -2.721  -3.732  -3.644
  162   2HD1  LEU  24          HD1       LEU  24  -4.167  -4.716  -3.313
  163   3HD1  LEU  24          HD1       LEU  24  -4.342  -3.050  -3.917
  164   1HD2  LEU  24          HD2       LEU  24  -5.343  -3.772  -0.490
  165   2HD2  LEU  24          HD2       LEU  24  -4.636  -5.117  -1.417
  166   3HD2  LEU  24          HD2       LEU  24  -3.733  -4.399  -0.061
  167    H    ARG  25           H        ARG  25  -0.842  -5.006  -3.794
  168    HA   ARG  25           HA       ARG  25  -2.893  -6.970  -3.465
  169   1HB   ARG  25          HB1       ARG  25  -2.048  -5.644  -5.656
  170   2HB   ARG  25          HB2       ARG  25  -0.949  -7.003  -5.781
  171   1HG   ARG  25          HG1       ARG  25  -2.605  -8.428  -6.440
  172   2HG   ARG  25          HG2       ARG  25  -3.694  -7.883  -5.180
  173   1HD   ARG  25          HD1       ARG  25  -3.716  -5.675  -6.822
  174   2HD   ARG  25          HD2       ARG  25  -3.440  -6.937  -8.006
  175    HE   ARG  25           HE       ARG  25  -5.912  -6.425  -6.637
  176   1HH1  ARG  25          HH1       ARG  25  -7.399  -9.487  -7.405
  177   2HH1  ARG  25          HH1       ARG  25  -7.672  -7.866  -6.861
  178   1HH2  ARG  25          HH2       ARG  25  -5.247 -10.197  -7.906
  179   2HH2  ARG  25          HH2       ARG  25  -3.913  -9.105  -7.736
  180    H    HIS  26           H        HIS  26   0.686  -6.930  -4.150
  181    HA   HIS  26           HA       HIS  26   1.017  -9.682  -3.892
  182   1HB   HIS  26          HB1       HIS  26   2.581  -7.481  -4.573
  183   2HB   HIS  26          HB2       HIS  26   3.346  -8.092  -3.120
  184    HD1  HIS  26           HD1      HIS  26   5.237  -9.582  -3.752
  185    HD2  HIS  26           HD2      HIS  26   1.948 -10.058  -6.311
  186    HE1  HIS  26           HE1      HIS  26   5.882 -11.408  -5.413
  187    H    TYR  27           H        TYR  27   0.512  -7.147  -1.538
  188    HA   TYR  27           HA       TYR  27   1.691  -8.653   0.626
  189   1HB   TYR  27          HB1       TYR  27   1.823  -6.303   0.952
  190   2HB   TYR  27          HB2       TYR  27   0.360  -6.005   0.034
  191    HD1  TYR  27           HD1      TYR  27   1.072  -8.013   3.132
  192    HD2  TYR  27           HD2      TYR  27  -1.182  -4.856   1.327
  193    HE1  TYR  27           HE1      TYR  27  -0.226  -7.693   5.295
  194    HE2  TYR  27           HE2      TYR  27  -2.472  -4.546   3.495
  195    HH   TYR  27           HH       TYR  27  -1.475  -5.618   6.352
  196    H    ILE  28           H        ILE  28  -1.603  -7.691  -0.530
  197    HA   ILE  28           HA       ILE  28  -2.860  -9.134   1.600
  198    HB   ILE  28           HB       ILE  28  -3.859  -7.701  -0.854
  199   1HG1  ILE  28          1HG1      ILE  28  -3.062  -6.192   0.814
  200   2HG1  ILE  28          2HG1      ILE  28  -4.813  -6.161   0.863
  201   1HG2  ILE  28          1HG2      ILE  28  -6.116  -8.094  -0.158
  202   2HG2  ILE  28          2HG2      ILE  28  -5.301  -9.668  -0.316
  203   3HG2  ILE  28          3HG2      ILE  28  -5.575  -8.966   1.297
  204   1HD1  ILE  28          1HD1      ILE  28  -2.916  -7.538   2.800
  205   2HD1  ILE  28          2HD1      ILE  28  -4.134  -6.288   3.149
  206   3HD1  ILE  28          3HD1      ILE  28  -4.648  -7.941   2.737
  207    H    ASN  29           H        ASN  29  -1.439  -9.912  -1.452
  208    HA   ASN  29           HA       ASN  29  -3.076 -11.853  -2.405
  209   1HB   ASN  29          HB1       ASN  29  -1.086 -11.158  -3.639
  210   2HB   ASN  29          HB2       ASN  29  -0.025 -11.663  -2.339
  211   1HD2  ASN  29          HD2       ASN  29   1.103 -12.920  -3.873
  212   2HD2  ASN  29          HD2       ASN  29   0.533 -14.475  -4.379
  213    H    LEU  30           H        LEU  30  -1.021 -11.776   0.470
  214    HA   LEU  30           HA       LEU  30  -0.824 -14.599   0.792
  215   1HB   LEU  30          HB1       LEU  30  -0.280 -12.235   2.581
  216   2HB   LEU  30          HB2       LEU  30  -0.096 -13.891   3.125
  217    HG   LEU  30           HG       LEU  30   1.509 -12.379   1.082
  218   1HD1  LEU  30          HD1       LEU  30   2.845 -12.240   2.858
  219   2HD1  LEU  30          HD1       LEU  30   1.907 -13.453   3.762
  220   3HD1  LEU  30          HD1       LEU  30   3.171 -13.974   2.624
  221   1HD2  LEU  30          HD2       LEU  30   1.257 -15.387   1.279
  222   2HD2  LEU  30          HD2       LEU  30   0.973 -14.351  -0.139
  223   3HD2  LEU  30          HD2       LEU  30   2.623 -14.555   0.497
  224    H    ALA  31           H        ALA  31  -3.337 -12.275   1.188
  225    HA   ALA  31           HA       ALA  31  -5.138 -14.236   2.093
  226   1HB   ALA  31          HB1       ALA  31  -5.477 -13.689   4.334
  227   2HB   ALA  31          HB2       ALA  31  -3.708 -13.543   4.197
  228   3HB   ALA  31          HB3       ALA  31  -4.727 -12.084   4.164
  229   1HN   AIB  32          1HN       AIB  32  -6.661 -13.591   0.624
  230   1HB1  AIB  32          1HB1      AIB  32  -7.462 -11.484  -1.944
  231   2HB1  AIB  32          2HB1      AIB  32  -5.886 -11.329  -1.122
  232   3HB1  AIB  32          3HB1      AIB  32  -7.045  -9.989  -1.059
  233   1HB2  AIB  32          1HB2      AIB  32  -8.122 -11.018   2.258
  234   2HB2  AIB  32          2HB2      AIB  32  -9.004 -10.174   0.974
  235   3HB2  AIB  32          3HB2      AIB  32  -7.280  -9.807   1.252
  236    H    ARG  33           H        ARG  33  -7.714 -14.161  -0.756
  237    HA   ARG  33           HA       ARG  33 -10.620 -13.987  -0.823
  238   1HB   ARG  33          HB1       ARG  33  -9.133 -15.795  -2.736
  239   2HB   ARG  33          HB2       ARG  33 -10.690 -15.018  -2.943
  240   1HG   ARG  33          HG1       ARG  33  -9.286 -12.770  -2.874
  241   2HG   ARG  33          HG2       ARG  33  -7.924 -13.811  -3.236
  242   1HD   ARG  33          HD1       ARG  33  -8.713 -13.128  -5.379
  243   2HD   ARG  33          HD2       ARG  33  -9.350 -14.750  -5.192
  244    HE   ARG  33           HE       ARG  33 -11.515 -13.866  -5.150
  245   1HH1  ARG  33          HH1       ARG  33 -12.631 -10.567  -4.924
  246   2HH1  ARG  33          HH1       ARG  33 -13.093 -12.214  -5.199
  247   1HH2  ARG  33          HH2       ARG  33 -10.410 -10.039  -4.507
  248   2HH2  ARG  33          HH2       ARG  33  -9.214 -11.292  -4.470
  249    H    GLN  34           H        GLN  34  -7.665 -15.974  -0.369
  250    HA   GLN  34           HA       GLN  34  -8.778 -18.418   0.007
  251   1HB   GLN  34          HB1       GLN  34  -6.263 -17.375   0.207
  252   2HB   GLN  34          HB2       GLN  34  -6.595 -17.655   1.904
  253   1HG   GLN  34          HG1       GLN  34  -7.483 -19.953   0.346
  254   2HG   GLN  34          HG2       GLN  34  -5.819 -19.579  -0.058
  255   1HE2  GLN  34          1HE2      GLN  34  -6.828 -21.863   1.343
  256   2HE2  GLN  34          2HE2      GLN  34  -6.110 -21.900   2.919
  257    H    ARG  35           H        ARG  35  -9.060 -15.548   1.995
  258    HA   ARG  35           HA       ARG  35  -9.956 -17.131   4.237
  259   1HB   ARG  35          HB1       ARG  35  -8.783 -14.478   3.877
  260   2HB   ARG  35          HB2       ARG  35 -10.277 -14.341   4.782
  261   1HG   ARG  35          HG1       ARG  35  -8.703 -16.631   5.719
  262   2HG   ARG  35          HG2       ARG  35  -7.753 -15.160   5.777
  263   1HD   ARG  35          HD1       ARG  35  -9.305 -14.068   7.237
  264   2HD   ARG  35          HD2       ARG  35 -10.592 -15.197   6.864
  265    HE   ARG  35           HE       ARG  35  -8.545 -16.768   7.967
  266   1HH1  ARG  35          HH1       ARG  35  -9.262 -16.358  11.358
  267   2HH1  ARG  35          HH1       ARG  35  -8.457 -17.338  10.178
  268   1HH2  ARG  35          HH2       ARG  35 -10.429 -14.465  10.692
  269   2HH2  ARG  35          HH2       ARG  35 -10.495 -14.033   9.016
  270    H    TYR  36           H        TYR  36 -11.483 -17.008   1.675
  271    HA   TYR  36           HA       TYR  36 -13.994 -16.058   2.808
  272   1HB   TYR  36          HB1       TYR  36 -13.703 -14.194   1.412
  273   2HB   TYR  36          HB2       TYR  36 -12.399 -14.965   0.531
  274    HD1  TYR  36           HD1      TYR  36 -12.748 -15.731  -1.660
  275    HD2  TYR  36           HD2      TYR  36 -16.127 -14.969   0.851
  276    HE1  TYR  36           HE1      TYR  36 -14.306 -16.091  -3.636
  277    HE2  TYR  36           HE2      TYR  36 -17.674 -15.332  -1.134
  278    HH   TYR  36           HH       TYR  36 -16.532 -15.425  -4.315
  279   1HN   NH2  37          HN1       NH2 237 -12.359 -17.551   0.009
  280   2HN   NH2  37          HN2       NH2 237 -13.507 -18.823  -0.240
  Start of MODEL    2
    1    H    TYR   1           H        TYR   1   7.700   1.082 -29.151
    2    HA   TYR   1           HA       TYR   1   8.398   3.660 -27.997
    3   1HB   TYR   1          HB1       TYR   1   6.249   3.828 -28.929
    4   2HB   TYR   1          HB2       TYR   1   6.037   2.088 -28.936
    5    HD1  TYR   1           HD1      TYR   1   4.747   0.999 -27.260
    6    HD2  TYR   1           HD2      TYR   1   5.819   5.112 -26.780
    7    HE1  TYR   1           HE1      TYR   1   3.148   1.193 -25.293
    8    HE2  TYR   1           HE2      TYR   1   4.216   5.293 -24.815
    9    HH   TYR   1           HH       TYR   1   2.006   2.714 -24.049
   10    HA   PRO   2           HA       PRO   2   8.915   1.432 -24.210
   11   1HB   PRO   2          HB1       PRO   2  10.452   3.313 -22.957
   12   2HB   PRO   2          HB2       PRO   2  11.122   2.039 -23.955
   13   1HG   PRO   2          HG1       PRO   2  10.799   4.909 -24.583
   14   2HG   PRO   2          HG2       PRO   2  11.827   3.724 -25.364
   15   1HD   PRO   2          HD1       PRO   2   9.339   4.756 -26.352
   16   2HD   PRO   2          HD2       PRO   2  10.309   3.487 -27.074
   17    H    SER   3           H        SER   3   8.620   4.945 -23.886
   18    HA   SER   3           HA       SER   3   6.028   4.673 -22.833
   19   1HB   SER   3          HB1       SER   3   6.536   5.512 -20.527
   20   2HB   SER   3          HB2       SER   3   7.160   3.901 -20.822
   21    HG   SER   3           HG       SER   3   9.269   4.835 -21.214
   22    H    LYS   4           H        LYS   4   5.336   6.962 -21.851
   23    HA   LYS   4           HA       LYS   4   5.872   8.865 -23.813
   24   1HB   LYS   4          HB1       LYS   4   4.060   9.782 -22.911
   25   2HB   LYS   4          HB2       LYS   4   4.066   8.518 -21.698
   26   1HG   LYS   4          HG1       LYS   4   5.532   9.886 -20.235
   27   2HG   LYS   4          HG2       LYS   4   5.629  11.133 -21.462
   28   1HD   LYS   4          HD1       LYS   4   2.896  10.261 -20.507
   29   2HD   LYS   4          HD2       LYS   4   3.853  11.297 -19.467
   30   1HE   LYS   4          HE1       LYS   4   3.783  13.106 -20.952
   31   2HE   LYS   4          HE2       LYS   4   3.633  12.083 -22.367
   32   1HZ   LYS   4          HZ1       LYS   4   1.476  12.416 -22.248
   33   2HZ   LYS   4          HZ2       LYS   4   1.406  11.628 -20.820
   34   3HZ   LYS   4          HZ3       LYS   4   1.603  13.248 -20.849
   35    HA   PRO   5           HA       PRO   5   9.460  10.799 -22.399
   36   1HB   PRO   5          HB1       PRO   5   9.157  13.353 -23.322
   37   2HB   PRO   5          HB2       PRO   5   9.670  12.021 -24.339
   38   1HG   PRO   5          HG1       PRO   5   7.037  13.361 -24.227
   39   2HG   PRO   5          HG2       PRO   5   7.699  12.344 -25.492
   40   1HD   PRO   5          HD1       PRO   5   5.735  11.596 -23.540
   41   2HD   PRO   5          HD2       PRO   5   6.481  10.549 -24.730
   42    H    ASP   6           H        ASP   6   8.861  10.373 -20.150
   43    HA   ASP   6           HA       ASP   6   9.292  12.606 -18.658
   44   1HB   ASP   6          HB1       ASP   6   6.705  12.761 -19.598
   45   2HB   ASP   6          HB2       ASP   6   6.444  11.890 -18.100
   46    H    ASN   7           H        ASN   7   9.997  11.751 -16.676
   47    HA   ASN   7           HA       ASN   7   8.789   9.229 -15.869
   48   1HB   ASN   7          HB1       ASN   7  11.195   9.099 -16.924
   49   2HB   ASN   7          HB2       ASN   7  11.743   9.865 -15.446
   50   1HD2  ASN   7          HD2       ASN   7  10.797   8.855 -13.394
   51   2HD2  ASN   7          HD2       ASN   7  10.840   7.127 -13.285
   52    HA   PRO   8           HA       PRO   8   8.708  12.184 -12.442
   53   1HB   PRO   8          HB1       PRO   8   6.242  11.508 -11.477
   54   2HB   PRO   8          HB2       PRO   8   6.494  12.776 -12.661
   55   1HG   PRO   8          HG1       PRO   8   5.414  10.054 -13.062
   56   2HG   PRO   8          HG2       PRO   8   5.282  11.453 -14.110
   57   1HD   PRO   8          HD1       PRO   8   7.025   9.202 -14.464
   58   2HD   PRO   8          HD2       PRO   8   6.974  10.654 -15.445
   59    H    GLY   9           H        GLY   9   8.057  11.837  -9.973
   60   1HA   GLY   9          HA1       GLY   9   7.914   9.931  -8.405
   61   2HA   GLY   9          HA2       GLY   9   9.221   9.196  -9.313
   62    H    GLU  10           H        GLU  10   8.420  12.335  -7.657
   63    HA   GLU  10           HA       GLU  10  11.139  12.253  -6.608
   64   1HB   GLU  10          HB1       GLU  10   9.781  14.899  -7.107
   65   2HB   GLU  10          HB2       GLU  10  11.493  14.530  -7.042
   66   1HG   GLU  10          HG1       GLU  10  11.366  13.346  -9.207
   67   2HG   GLU  10          HG2       GLU  10   9.627  13.559  -9.257
   68    H    ASP  11           H        ASP  11   9.282  11.009  -5.121
   69    HA   ASP  11           HA       ASP  11   8.234  10.954  -3.222
   70   1HB   ASP  11          HB1       ASP  11   9.738  13.527  -2.556
   71   2HB   ASP  11          HB2       ASP  11   9.034  12.422  -1.393
   72    H    ALA  12           H        ALA  12   6.033  11.391  -3.697
   73    HA   ALA  12           HA       ALA  12   4.926  13.794  -2.784
   74   1HB   ALA  12          HB1       ALA  12   6.003  14.549  -4.977
   75   2HB   ALA  12          HB2       ALA  12   4.819  13.510  -5.806
   76   3HB   ALA  12          HB3       ALA  12   4.262  14.875  -4.809
   77    HA   PRO  13           HA       PRO  13   1.504  11.153  -2.899
   78   1HB   PRO  13          HB1       PRO  13  -0.607  12.885  -2.809
   79   2HB   PRO  13          HB2       PRO  13   0.335  12.448  -1.397
   80   1HG   PRO  13          HG1       PRO  13   0.382  14.963  -2.951
   81   2HG   PRO  13          HG2       PRO  13   0.977  14.662  -1.330
   82   1HD   PRO  13          HD1       PRO  13   2.548  14.902  -3.719
   83   2HD   PRO  13          HD2       PRO  13   3.130  14.487  -2.118
   84    H    ALA  14           H        ALA  14  -0.589  10.490  -3.990
   85    HA   ALA  14           HA       ALA  14  -1.812  10.270  -5.856
   86   1HB   ALA  14          HB1       ALA  14  -0.139  12.007  -7.598
   87   2HB   ALA  14          HB2       ALA  14  -1.908  11.943  -7.405
   88   3HB   ALA  14          HB3       ALA  14  -0.913  12.814  -6.213
   89    H    GLU  15           H        GLU  15   1.734  10.701  -6.509
   90    HA   GLU  15           HA       GLU  15   1.630   8.473  -8.310
   91   1HB   GLU  15          HB1       GLU  15   3.163  10.755  -8.220
   92   2HB   GLU  15          HB2       GLU  15   4.273   9.595  -7.517
   93   1HG   GLU  15          HG1       GLU  15   4.713   8.727  -9.563
   94   2HG   GLU  15          HG2       GLU  15   3.020   8.330  -9.785
   95    H    ASP  16           H        ASP  16   1.736   8.832  -4.979
   96    HA   ASP  16           HA       ASP  16   3.522   6.565  -4.649
   97   1HB   ASP  16          HB1       ASP  16   2.341   8.554  -2.657
   98   2HB   ASP  16          HB2       ASP  16   3.294   7.167  -2.171
   99    H    LEU  17           H        LEU  17   0.186   7.709  -4.520
  100    HA   LEU  17           HA       LEU  17  -0.914   5.877  -2.744
  101   1HB   LEU  17          HB1       LEU  17  -1.813   8.004  -4.108
  102   2HB   LEU  17          HB2       LEU  17  -2.483   6.735  -5.114
  103    HG   LEU  17           HG       LEU  17  -4.002   7.638  -3.323
  104   1HD1  LEU  17          HD1       LEU  17  -5.138   5.684  -3.243
  105   2HD1  LEU  17          HD1       LEU  17  -3.899   5.189  -4.422
  106   3HD1  LEU  17          HD1       LEU  17  -3.722   4.748  -2.706
  107   1HD2  LEU  17          HD2       LEU  17  -2.556   5.948  -1.319
  108   2HD2  LEU  17          HD2       LEU  17  -1.986   7.605  -1.633
  109   3HD2  LEU  17          HD2       LEU  17  -3.654   7.328  -1.077
  110    H    ALA  18           H        ALA  18  -0.336   5.685  -6.309
  111    HA   ALA  18           HA       ALA  18  -1.533   3.196  -6.669
  112   1HB   ALA  18          HB1       ALA  18   0.426   4.937  -8.113
  113   2HB   ALA  18          HB2       ALA  18   0.327   3.232  -8.612
  114   3HB   ALA  18          HB3       ALA  18  -1.125   4.260  -8.665
  115    H    ARG  19           H        ARG  19   1.879   4.135  -5.894
  116    HA   ARG  19           HA       ARG  19   2.909   1.601  -5.991
  117   1HB   ARG  19          HB1       ARG  19   3.744   3.862  -4.105
  118   2HB   ARG  19          HB2       ARG  19   4.752   2.514  -4.588
  119   1HG   ARG  19          HG1       ARG  19   3.568   4.038  -6.859
  120   2HG   ARG  19          HG2       ARG  19   4.681   4.962  -5.871
  121   1HD   ARG  19          HD1       ARG  19   5.455   2.177  -6.796
  122   2HD   ARG  19          HD2       ARG  19   5.609   3.531  -7.898
  123    HE   ARG  19           HE       ARG  19   6.836   4.457  -5.594
  124   1HH1  ARG  19          HH1       ARG  19   9.967   2.929  -5.804
  125   2HH1  ARG  19          HH1       ARG  19   9.059   4.231  -5.111
  126   1HH2  ARG  19          HH2       ARG  19   8.926   1.414  -7.222
  127   2HH2  ARG  19          HH2       ARG  19   7.242   1.586  -7.587
  128    H    TYR  20           H        TYR  20   0.792   3.131  -3.650
  129    HA   TYR  20           HA       TYR  20   1.439   1.195  -1.577
  130   1HB   TYR  20          HB1       TYR  20   1.011   3.389  -0.720
  131   2HB   TYR  20          HB2       TYR  20  -0.140   3.757  -1.989
  132    HD1  TYR  20           HD1      TYR  20   0.199   1.388   0.910
  133    HD2  TYR  20           HD2      TYR  20  -2.374   3.916  -1.391
  134    HE1  TYR  20           HE1      TYR  20  -1.722   0.891   2.499
  135    HE2  TYR  20           HE2      TYR  20  -4.287   3.410   0.206
  136    HH   TYR  20           HH       TYR  20  -4.732   1.214   1.842
  137    H    TYR  21           H        TYR  21  -0.621   1.490  -4.317
  138    HA   TYR  21           HA       TYR  21  -2.652  -0.239  -3.112
  139   1HB   TYR  21          HB1       TYR  21  -2.408   1.864  -5.178
  140   2HB   TYR  21          HB2       TYR  21  -3.139   0.431  -5.873
  141    HD1  TYR  21           HD1      TYR  21  -5.451   0.275  -5.809
  142    HD2  TYR  21           HD2      TYR  21  -3.455   2.535  -2.774
  143    HE1  TYR  21           HE1      TYR  21  -7.696   0.951  -4.825
  144    HE2  TYR  21           HE2      TYR  21  -5.706   3.203  -1.800
  145    HH   TYR  21           HH       TYR  21  -7.857   3.167  -2.058
  146    H    SER  22           H        SER  22   0.002  -0.143  -5.470
  147    HA   SER  22           HA       SER  22  -0.810  -2.545  -6.738
  148   1HB   SER  22          HB1       SER  22   0.471  -1.058  -8.082
  149   2HB   SER  22          HB2       SER  22   1.668  -0.802  -6.828
  150    HG   SER  22           HG       SER  22   1.400  -2.945  -8.671
  151    H    ALA  23           H        ALA  23   1.348  -1.569  -4.059
  152    HA   ALA  23           HA       ALA  23   2.534  -4.178  -3.846
  153   1HB   ALA  23          HB1       ALA  23   3.070  -1.525  -2.950
  154   2HB   ALA  23          HB2       ALA  23   2.875  -2.539  -1.500
  155   3HB   ALA  23          HB3       ALA  23   4.075  -2.979  -2.739
  156    H    LEU  24           H        LEU  24  -0.264  -2.414  -2.588
  157    HA   LEU  24           HA       LEU  24  -0.677  -3.967  -0.291
  158   1HB   LEU  24          HB1       LEU  24  -2.083  -2.296  -0.020
  159   2HB   LEU  24          HB2       LEU  24  -1.948  -1.833  -1.705
  160    HG   LEU  24           HG       LEU  24  -4.262  -2.189  -1.150
  161   1HD1  LEU  24          HD1       LEU  24  -4.547  -2.931  -3.218
  162   2HD1  LEU  24          HD1       LEU  24  -2.892  -3.586  -3.226
  163   3HD1  LEU  24          HD1       LEU  24  -4.246  -4.597  -2.667
  164   1HD2  LEU  24          HD2       LEU  24  -3.240  -4.389   0.389
  165   2HD2  LEU  24          HD2       LEU  24  -4.859  -3.650   0.408
  166   3HD2  LEU  24          HD2       LEU  24  -4.498  -4.973  -0.727
  167    H    ARG  25           H        ARG  25  -0.834  -4.741  -3.639
  168    HA   ARG  25           HA       ARG  25  -2.894  -6.681  -3.329
  169   1HB   ARG  25          HB1       ARG  25  -1.260  -5.553  -5.535
  170   2HB   ARG  25          HB2       ARG  25  -1.564  -7.268  -5.724
  171   1HG   ARG  25          HG1       ARG  25  -4.013  -6.875  -5.441
  172   2HG   ARG  25          HG2       ARG  25  -3.720  -5.161  -5.221
  173   1HD   ARG  25          HD1       ARG  25  -2.434  -6.160  -7.673
  174   2HD   ARG  25          HD2       ARG  25  -4.156  -6.489  -7.676
  175    HE   ARG  25           HE       ARG  25  -3.591  -3.770  -6.808
  176   1HH1  ARG  25          HH1       ARG  25  -4.455  -2.345  -9.874
  177   2HH1  ARG  25          HH1       ARG  25  -4.138  -2.041  -8.199
  178   1HH2  ARG  25          HH2       ARG  25  -4.325  -4.508 -10.706
  179   2HH2  ARG  25          HH2       ARG  25  -3.910  -5.818  -9.651
  180    H    HIS  26           H        HIS  26   0.614  -6.846  -4.326
  181    HA   HIS  26           HA       HIS  26   0.851  -9.576  -4.046
  182   1HB   HIS  26          HB1       HIS  26   2.450  -7.514  -4.879
  183   2HB   HIS  26          HB2       HIS  26   3.254  -7.987  -3.394
  184    HD1  HIS  26           HD1      HIS  26   3.367  -8.693  -6.868
  185    HD2  HIS  26           HD2      HIS  26   3.546 -11.076  -3.419
  186    HE1  HIS  26           HE1      HIS  26   4.452 -10.893  -7.573
  187    H    TYR  27           H        TYR  27   0.564  -7.070  -1.635
  188    HA   TYR  27           HA       TYR  27   1.817  -8.628   0.444
  189   1HB   TYR  27          HB1       TYR  27   1.983  -6.245   0.688
  190   2HB   TYR  27          HB2       TYR  27   0.387  -5.977   0.016
  191    HD1  TYR  27           HD1      TYR  27   1.510  -8.109   2.893
  192    HD2  TYR  27           HD2      TYR  27  -0.844  -4.783   1.590
  193    HE1  TYR  27           HE1      TYR  27   0.560  -7.853   5.237
  194    HE2  TYR  27           HE2      TYR  27  -1.786  -4.538   3.938
  195    HH   TYR  27           HH       TYR  27  -0.562  -5.459   6.473
  196    H    ILE  28           H        ILE  28  -1.514  -7.665  -0.580
  197    HA   ILE  28           HA       ILE  28  -2.681  -9.111   1.607
  198    HB   ILE  28           HB       ILE  28  -3.752  -7.586  -0.752
  199   1HG1  ILE  28          1HG1      ILE  28  -2.883  -6.240   1.070
  200   2HG1  ILE  28          2HG1      ILE  28  -4.628  -6.096   0.988
  201   1HG2  ILE  28          1HG2      ILE  28  -5.366  -9.120   1.304
  202   2HG2  ILE  28          2HG2      ILE  28  -6.017  -7.985   0.097
  203   3HG2  ILE  28          3HG2      ILE  28  -5.235  -9.494  -0.431
  204   1HD1  ILE  28          1HD1      ILE  28  -4.184  -8.303   2.699
  205   2HD1  ILE  28          2HD1      ILE  28  -2.964  -7.096   3.170
  206   3HD1  ILE  28          3HD1      ILE  28  -4.691  -6.666   3.180
  207    H    ASN  29           H        ASN  29  -1.394  -9.864  -1.502
  208    HA   ASN  29           HA       ASN  29  -3.088 -11.762  -2.433
  209   1HB   ASN  29          HB1       ASN  29  -0.759 -10.851  -3.324
  210   2HB   ASN  29          HB2       ASN  29  -0.076 -12.207  -2.450
  211   1HD2  ASN  29          HD2       ASN  29  -0.956 -14.356  -2.895
  212   2HD2  ASN  29          HD2       ASN  29  -1.459 -14.758  -4.503
  213    H    LEU  30           H        LEU  30  -1.114 -11.726   0.460
  214    HA   LEU  30           HA       LEU  30  -1.162 -14.623   0.717
  215   1HB   LEU  30          HB1       LEU  30   0.619 -14.408   2.022
  216   2HB   LEU  30          HB2       LEU  30   0.740 -12.808   1.317
  217    HG   LEU  30           HG       LEU  30  -0.911 -12.284   3.416
  218   1HD1  LEU  30          HD1       LEU  30  -0.824 -13.752   5.082
  219   2HD1  LEU  30          HD1       LEU  30  -0.046 -14.887   3.952
  220   3HD1  LEU  30          HD1       LEU  30   0.952 -13.846   4.996
  221   1HD2  LEU  30          HD2       LEU  30   2.014 -12.077   2.936
  222   2HD2  LEU  30          HD2       LEU  30   0.804 -10.813   3.263
  223   3HD2  LEU  30          HD2       LEU  30   1.446 -11.798   4.599
  224    H    ALA  31           H        ALA  31  -3.622 -12.826   0.723
  225    HA   ALA  31           HA       ALA  31  -4.505 -13.308   3.477
  226   1HB   ALA  31          HB1       ALA  31  -5.688 -11.592   1.254
  227   2HB   ALA  31          HB2       ALA  31  -6.307 -11.716   2.918
  228   3HB   ALA  31          HB3       ALA  31  -4.706 -11.000   2.616
  229   1HN   AIB  32          1HN       AIB  32  -4.475 -14.750   0.431
  230   1HB1  AIB  32          1HB1      AIB  32  -5.100 -16.186  -1.554
  231   2HB1  AIB  32          2HB1      AIB  32  -5.891 -17.721  -1.108
  232   3HB1  AIB  32          3HB1      AIB  32  -4.384 -17.244  -0.305
  233   1HB2  AIB  32          1HB2      AIB  32  -7.296 -14.897  -1.109
  234   2HB2  AIB  32          2HB2      AIB  32  -8.009 -14.906   0.513
  235   3HB2  AIB  32          3HB2      AIB  32  -8.130 -16.360  -0.515
  236    H    ARG  33           H        ARG  33  -4.799 -16.512   2.595
  237    HA   ARG  33           HA       ARG  33  -6.955 -18.069   3.691
  238   1HB   ARG  33          HB1       ARG  33  -4.188 -19.265   3.914
  239   2HB   ARG  33          HB2       ARG  33  -5.743 -20.069   3.997
  240   1HG   ARG  33          HG1       ARG  33  -6.005 -19.381   1.480
  241   2HG   ARG  33          HG2       ARG  33  -4.281 -19.069   1.526
  242   1HD   ARG  33          HD1       ARG  33  -4.349 -21.318   0.826
  243   2HD   ARG  33          HD2       ARG  33  -4.091 -21.487   2.551
  244    HE   ARG  33           HE       ARG  33  -6.867 -21.439   2.281
  245   1HH1  ARG  33          HH1       ARG  33  -7.481 -24.767   1.428
  246   2HH1  ARG  33          HH1       ARG  33  -8.164 -23.308   2.066
  247   1HH2  ARG  33          HH2       ARG  33  -5.250 -24.822   0.793
  248   2HH2  ARG  33          HH2       ARG  33  -4.267 -23.405   0.957
  249    H    GLN  34           H        GLN  34  -3.591 -16.773   4.044
  250    HA   GLN  34           HA       GLN  34  -3.353 -16.917   6.739
  251   1HB   GLN  34          HB1       GLN  34  -1.988 -15.669   4.590
  252   2HB   GLN  34          HB2       GLN  34  -2.281 -14.387   5.748
  253   1HG   GLN  34          HG1       GLN  34  -0.137 -15.500   6.244
  254   2HG   GLN  34          HG2       GLN  34  -1.267 -15.758   7.559
  255   1HE2  GLN  34          1HE2      GLN  34   0.501 -17.470   7.803
  256   2HE2  GLN  34          2HE2      GLN  34   0.172 -19.033   7.133
  257    H    ARG  35           H        ARG  35  -5.528 -14.943   4.848
  258    HA   ARG  35           HA       ARG  35  -5.904 -13.087   7.006
  259   1HB   ARG  35          HB1       ARG  35  -6.162 -12.901   4.233
  260   2HB   ARG  35          HB2       ARG  35  -7.834 -13.023   4.744
  261   1HG   ARG  35          HG1       ARG  35  -6.931 -11.213   6.586
  262   2HG   ARG  35          HG2       ARG  35  -5.842 -10.846   5.263
  263   1HD   ARG  35          HD1       ARG  35  -7.772  -9.426   4.965
  264   2HD   ARG  35          HD2       ARG  35  -7.883 -10.668   3.734
  265    HE   ARG  35           HE       ARG  35  -9.765 -11.581   4.823
  266   1HH1  ARG  35          HH1       ARG  35 -11.383 -10.491   7.716
  267   2HH1  ARG  35          HH1       ARG  35 -11.479 -11.529   6.333
  268   1HH2  ARG  35          HH2       ARG  35  -9.514  -9.153   8.036
  269   2HH2  ARG  35          HH2       ARG  35  -8.214  -9.192   6.891
  270    H    TYR  36           H        TYR  36  -6.564 -16.071   7.185
  271    HA   TYR  36           HA       TYR  36  -9.221 -15.710   8.281
  272   1HB   TYR  36          HB1       TYR  36 -10.055 -16.609   6.279
  273   2HB   TYR  36          HB2       TYR  36  -8.464 -17.132   5.765
  274    HD1  TYR  36           HD1      TYR  36 -11.143 -18.046   8.227
  275    HD2  TYR  36           HD2      TYR  36  -8.000 -19.414   5.667
  276    HE1  TYR  36           HE1      TYR  36 -11.760 -20.457   8.746
  277    HE2  TYR  36           HE2      TYR  36  -8.628 -21.820   6.194
  278    HH   TYR  36           HH       TYR  36 -11.348 -22.538   8.370
  279   1HN   NH2  37          HN1       NH2 237  -6.644 -18.033   7.444
  280   2HN   NH2  37          HN2       NH2 237  -6.601 -18.846   8.972
  Start of MODEL    3
    1    H    TYR   1           H        TYR   1   4.925   6.035 -20.391
    2    HA   TYR   1           HA       TYR   1   2.787   5.558 -22.251
    3   1HB   TYR   1          HB1       TYR   1   5.321   7.246 -22.601
    4   2HB   TYR   1          HB2       TYR   1   3.728   7.583 -23.249
    5    HD1  TYR   1           HD1      TYR   1   5.984   8.068 -20.467
    6    HD2  TYR   1           HD2      TYR   1   1.887   8.330 -21.671
    7    HE1  TYR   1           HE1      TYR   1   5.491   9.583 -18.486
    8    HE2  TYR   1           HE2      TYR   1   1.408   9.844 -19.686
    9    HH   TYR   1           HH       TYR   1   3.509  11.502 -18.138
   10    HA   PRO   2           HA       PRO   2   4.966   3.072 -25.039
   11   1HB   PRO   2          HB1       PRO   2   3.808   3.723 -27.428
   12   2HB   PRO   2          HB2       PRO   2   3.068   2.637 -26.268
   13   1HG   PRO   2          HG1       PRO   2   2.370   5.442 -26.889
   14   2HG   PRO   2          HG2       PRO   2   1.408   4.226 -26.071
   15   1HD   PRO   2          HD1       PRO   2   2.813   6.410 -24.851
   16   2HD   PRO   2          HD2       PRO   2   1.948   5.128 -24.026
   17    H    SER   3           H        SER   3   4.573   6.230 -26.590
   18    HA   SER   3           HA       SER   3   6.997   5.957 -27.951
   19   1HB   SER   3          HB1       SER   3   6.679   8.342 -28.529
   20   2HB   SER   3          HB2       SER   3   5.190   7.440 -28.730
   21    HG   SER   3           HG       SER   3   4.427   9.096 -27.556
   22    H    LYS   4           H        LYS   4   8.260   5.218 -25.942
   23    HA   LYS   4           HA       LYS   4   9.822   5.586 -24.428
   24   1HB   LYS   4          HB1       LYS   4  11.236   6.901 -25.570
   25   2HB   LYS   4          HB2       LYS   4   9.956   7.938 -26.168
   26   1HG   LYS   4          HG1       LYS   4   9.851   9.050 -23.897
   27   2HG   LYS   4          HG2       LYS   4  11.206   8.065 -23.383
   28   1HD   LYS   4          HD1       LYS   4  12.055   9.186 -25.835
   29   2HD   LYS   4          HD2       LYS   4  11.196  10.491 -25.041
   30   1HE   LYS   4          HE1       LYS   4  13.325  10.777 -24.123
   31   2HE   LYS   4          HE2       LYS   4  12.599   9.745 -22.907
   32   1HZ   LYS   4          HZ1       LYS   4  14.132   8.253 -23.348
   33   2HZ   LYS   4          HZ2       LYS   4  13.649   8.129 -24.903
   34   3HZ   LYS   4          HZ3       LYS   4  14.802   9.209 -24.490
   35    HA   PRO   5           HA       PRO   5   7.626   7.052 -21.006
   36   1HB   PRO   5          HB1       PRO   5   9.494   6.677 -19.047
   37   2HB   PRO   5          HB2       PRO   5   8.481   5.387 -19.665
   38   1HG   PRO   5          HG1       PRO   5  11.342   5.910 -20.193
   39   2HG   PRO   5          HG2       PRO   5  10.432   4.433 -20.440
   40   1HD   PRO   5          HD1       PRO   5  11.252   6.301 -22.456
   41   2HD   PRO   5          HD2       PRO   5  10.244   4.886 -22.686
   42    H    ASP   6           H        ASP   6   7.704   9.190 -22.204
   43    HA   ASP   6           HA       ASP   6   9.654  11.001 -21.508
   44   1HB   ASP   6          HB1       ASP   6   7.742  12.709 -22.032
   45   2HB   ASP   6          HB2       ASP   6   8.283  11.640 -23.312
   46    H    ASN   7           H        ASN   7   9.615  12.759 -19.896
   47    HA   ASN   7           HA       ASN   7   7.711  12.247 -17.747
   48   1HB   ASN   7          HB1       ASN   7   9.513  13.045 -16.173
   49   2HB   ASN   7          HB2       ASN   7   9.977  11.591 -17.034
   50   1HD2  ASN   7          HD2       ASN   7  10.796  14.739 -16.227
   51   2HD2  ASN   7          HD2       ASN   7  12.130  14.998 -17.301
   52    HA   PRO   8           HA       PRO   8   7.048  16.514 -18.972
   53   1HB   PRO   8          HB1       PRO   8   4.433  16.672 -18.195
   54   2HB   PRO   8          HB2       PRO   8   4.928  16.153 -19.794
   55   1HG   PRO   8          HG1       PRO   8   3.925  14.520 -17.543
   56   2HG   PRO   8          HG2       PRO   8   4.018  14.106 -19.243
   57   1HD   PRO   8          HD1       PRO   8   5.776  13.211 -17.161
   58   2HD   PRO   8          HD2       PRO   8   5.936  12.892 -18.876
   59    H    GLY   9           H        GLY   9   6.072  15.086 -15.924
   60   1HA   GLY   9          HA1       GLY   9   7.402  17.256 -14.534
   61   2HA   GLY   9          HA2       GLY   9   5.662  17.202 -14.330
   62    H    GLU  10           H        GLU  10   4.846  14.717 -13.988
   63    HA   GLU  10           HA       GLU  10   4.793  12.970 -12.696
   64   1HB   GLU  10          HB1       GLU  10   7.736  13.057 -12.038
   65   2HB   GLU  10          HB2       GLU  10   6.709  11.666 -12.328
   66   1HG   GLU  10          HG1       GLU  10   6.510  12.875 -14.769
   67   2HG   GLU  10          HG2       GLU  10   8.097  13.449 -14.299
   68    H    ASP  11           H        ASP  11   3.627  14.611 -11.298
   69    HA   ASP  11           HA       ASP  11   4.845  14.546  -8.705
   70   1HB   ASP  11          HB1       ASP  11   5.482  16.766  -9.893
   71   2HB   ASP  11          HB2       ASP  11   3.785  17.189  -9.790
   72    H    ALA  12           H        ALA  12   3.097  13.324  -7.871
   73    HA   ALA  12           HA       ALA  12   0.673  14.655  -7.357
   74   1HB   ALA  12          HB1       ALA  12  -0.555  14.142  -9.165
   75   2HB   ALA  12          HB2       ALA  12   0.837  13.306  -9.894
   76   3HB   ALA  12          HB3       ALA  12  -0.286  12.412  -8.842
   77    HA   PRO  13           HA       PRO  13   0.717  11.519  -4.380
   78   1HB   PRO  13          HB1       PRO  13  -1.872  11.515  -3.506
   79   2HB   PRO  13          HB2       PRO  13  -0.689  12.701  -2.992
   80   1HG   PRO  13          HG1       PRO  13  -2.923  13.019  -4.901
   81   2HG   PRO  13          HG2       PRO  13  -2.012  14.258  -4.061
   82   1HD   PRO  13          HD1       PRO  13  -1.734  13.492  -6.811
   83   2HD   PRO  13          HD2       PRO  13  -0.746  14.648  -5.940
   84    H    ALA  14           H        ALA  14  -1.086  11.179  -7.196
   85    HA   ALA  14           HA       ALA  14  -2.248   8.680  -6.679
   86   1HB   ALA  14          HB1       ALA  14  -3.159   9.679  -8.538
   87   2HB   ALA  14          HB2       ALA  14  -1.608  10.384  -9.054
   88   3HB   ALA  14          HB3       ALA  14  -1.945   8.662  -9.352
   89    H    GLU  15           H        GLU  15   1.007   9.729  -7.731
   90    HA   GLU  15           HA       GLU  15   1.775   7.052  -8.340
   91   1HB   GLU  15          HB1       GLU  15   2.687   9.102  -9.509
   92   2HB   GLU  15          HB2       GLU  15   3.516   9.537  -8.027
   93   1HG   GLU  15          HG1       GLU  15   3.944   6.737  -9.024
   94   2HG   GLU  15          HG2       GLU  15   4.661   8.021  -9.977
   95    H    ASP  16           H        ASP  16   1.466   8.987  -5.501
   96    HA   ASP  16           HA       ASP  16   3.586   7.624  -4.123
   97   1HB   ASP  16          HB1       ASP  16   1.601   9.809  -3.445
   98   2HB   ASP  16          HB2       ASP  16   2.415   8.970  -2.140
   99    H    LEU  17           H        LEU  17   0.069   7.565  -4.611
  100    HA   LEU  17           HA       LEU  17  -0.310   5.740  -2.375
  101   1HB   LEU  17          HB1       LEU  17  -1.843   7.765  -3.500
  102   2HB   LEU  17          HB2       LEU  17  -2.619   6.297  -4.060
  103    HG   LEU  17           HG       LEU  17  -2.086   5.935  -1.291
  104   1HD1  LEU  17          HD1       LEU  17  -2.866   8.717  -1.999
  105   2HD1  LEU  17          HD1       LEU  17  -3.720   7.947  -0.640
  106   3HD1  LEU  17          HD1       LEU  17  -1.947   8.094  -0.608
  107   1HD2  LEU  17          HD2       LEU  17  -3.897   4.828  -2.321
  108   2HD2  LEU  17          HD2       LEU  17  -4.624   5.992  -1.188
  109   3HD2  LEU  17          HD2       LEU  17  -4.589   6.351  -2.931
  110    H    ALA  18           H        ALA  18  -0.028   5.847  -5.906
  111    HA   ALA  18           HA       ALA  18  -1.247   3.452  -6.549
  112   1HB   ALA  18          HB1       ALA  18   1.013   5.086  -7.712
  113   2HB   ALA  18          HB2       ALA  18   0.557   3.528  -8.441
  114   3HB   ALA  18          HB3       ALA  18  -0.636   4.844  -8.334
  115    H    ARG  19           H        ARG  19   2.178   4.132  -5.567
  116    HA   ARG  19           HA       ARG  19   3.055   1.550  -5.806
  117   1HB   ARG  19          HB1       ARG  19   4.854   2.263  -4.169
  118   2HB   ARG  19          HB2       ARG  19   4.620   3.395  -5.486
  119   1HG   ARG  19          HG1       ARG  19   3.353   4.914  -4.088
  120   2HG   ARG  19          HG2       ARG  19   3.190   3.720  -2.815
  121   1HD   ARG  19          HD1       ARG  19   5.934   4.689  -3.708
  122   2HD   ARG  19          HD2       ARG  19   5.000   5.588  -2.528
  123    HE   ARG  19           HE       ARG  19   6.349   3.036  -2.097
  124   1HH1  ARG  19          HH1       ARG  19   5.102   2.672   1.141
  125   2HH1  ARG  19          HH1       ARG  19   6.266   2.108  -0.011
  126   1HH2  ARG  19          HH2       ARG  19   3.627   4.369   0.566
  127   2HH2  ARG  19          HH2       ARG  19   3.691   5.072  -1.016
  128    H    TYR  20           H        TYR  20   0.909   3.019  -3.472
  129    HA   TYR  20           HA       TYR  20   1.372   0.912  -1.510
  130   1HB   TYR  20          HB1       TYR  20   1.069   3.062  -0.502
  131   2HB   TYR  20          HB2       TYR  20  -0.008   3.605  -1.774
  132    HD1  TYR  20           HD1      TYR  20  -2.407   2.814  -1.789
  133    HD2  TYR  20           HD2      TYR  20   0.224   2.079   1.504
  134    HE1  TYR  20           HE1      TYR  20  -4.404   2.336  -0.290
  135    HE2  TYR  20           HE2      TYR  20  -1.782   1.604   2.992
  136    HH   TYR  20           HH       TYR  20  -4.260   2.349   2.962
  137    H    TYR  21           H        TYR  21  -0.547   1.531  -4.290
  138    HA   TYR  21           HA       TYR  21  -2.755  -0.099  -3.277
  139   1HB   TYR  21          HB1       TYR  21  -2.252   2.084  -5.209
  140   2HB   TYR  21          HB2       TYR  21  -3.055   0.752  -6.014
  141    HD1  TYR  21           HD1      TYR  21  -3.871   3.753  -4.979
  142    HD2  TYR  21           HD2      TYR  21  -4.859  -0.268  -3.901
  143    HE1  TYR  21           HE1      TYR  21  -6.108   4.540  -4.062
  144    HE2  TYR  21           HE2      TYR  21  -7.093   0.534  -2.987
  145    HH   TYR  21           HH       TYR  21  -8.219   3.754  -3.551
  146    H    SER  22           H        SER  22   0.012  -0.091  -5.502
  147    HA   SER  22           HA       SER  22  -0.931  -2.393  -6.891
  148   1HB   SER  22          HB1       SER  22   1.187  -0.426  -7.187
  149   2HB   SER  22          HB2       SER  22   1.869  -2.034  -7.325
  150    HG   SER  22           HG       SER  22  -0.160  -0.790  -8.934
  151    H    ALA  23           H        ALA  23   1.192  -1.604  -4.140
  152    HA   ALA  23           HA       ALA  23   2.284  -4.270  -4.023
  153   1HB   ALA  23          HB1       ALA  23   3.125  -1.766  -3.215
  154   2HB   ALA  23          HB2       ALA  23   2.583  -2.493  -1.684
  155   3HB   ALA  23          HB3       ALA  23   3.823  -3.308  -2.667
  156    H    LEU  24           H        LEU  24  -0.512  -2.500  -2.869
  157    HA   LEU  24           HA       LEU  24  -1.004  -3.948  -0.528
  158   1HB   LEU  24          HB1       LEU  24  -2.580  -2.427  -0.372
  159   2HB   LEU  24          HB2       LEU  24  -2.171  -1.855  -1.977
  160    HG   LEU  24           HG       LEU  24  -4.520  -2.232  -1.912
  161   1HD1  LEU  24          HD1       LEU  24  -4.253  -4.643  -3.396
  162   2HD1  LEU  24          HD1       LEU  24  -4.418  -2.975  -3.996
  163   3HD1  LEU  24          HD1       LEU  24  -2.801  -3.656  -3.692
  164   1HD2  LEU  24          HD2       LEU  24  -3.853  -4.379  -0.162
  165   2HD2  LEU  24          HD2       LEU  24  -5.456  -3.708  -0.549
  166   3HD2  LEU  24          HD2       LEU  24  -4.791  -5.042  -1.522
  167    H    ARG  25           H        ARG  25  -0.957  -4.920  -3.820
  168    HA   ARG  25           HA       ARG  25  -2.971  -6.917  -3.461
  169   1HB   ARG  25          HB1       ARG  25  -2.372  -5.638  -5.665
  170   2HB   ARG  25          HB2       ARG  25  -1.005  -6.729  -5.783
  171   1HG   ARG  25          HG1       ARG  25  -2.379  -8.248  -6.754
  172   2HG   ARG  25          HG2       ARG  25  -3.200  -8.420  -5.215
  173   1HD   ARG  25          HD1       ARG  25  -4.700  -6.483  -5.832
  174   2HD   ARG  25          HD2       ARG  25  -3.910  -6.394  -7.393
  175    HE   ARG  25           HE       ARG  25  -5.848  -8.415  -6.528
  176   1HH1  ARG  25          HH1       ARG  25  -5.660 -10.153  -9.548
  177   2HH1  ARG  25          HH1       ARG  25  -6.540  -9.953  -8.070
  178   1HH2  ARG  25          HH2       ARG  25  -3.778  -8.859  -9.963
  179   2HH2  ARG  25          HH2       ARG  25  -3.254  -7.693  -8.794
  180    H    HIS  26           H        HIS  26   0.590  -6.842  -4.240
  181    HA   HIS  26           HA       HIS  26   0.976  -9.574  -3.957
  182   1HB   HIS  26          HB1       HIS  26   2.487  -7.376  -4.694
  183   2HB   HIS  26          HB2       HIS  26   3.269  -7.898  -3.215
  184    HD1  HIS  26           HD1      HIS  26   5.363  -8.897  -4.286
  185    HD2  HIS  26           HD2      HIS  26   1.799 -10.493  -5.817
  186    HE1  HIS  26           HE1      HIS  26   6.035 -10.890  -5.731
  187    H    TYR  27           H        TYR  27   0.405  -7.069  -1.602
  188    HA   TYR  27           HA       TYR  27   1.663  -8.520   0.555
  189   1HB   TYR  27          HB1       TYR  27   1.690  -6.169   0.887
  190   2HB   TYR  27          HB2       TYR  27   0.218  -5.933  -0.033
  191    HD1  TYR  27           HD1      TYR  27   1.021  -7.894   3.073
  192    HD2  TYR  27           HD2      TYR  27  -1.387  -4.865   1.249
  193    HE1  TYR  27           HE1      TYR  27  -0.294  -7.628   5.233
  194    HE2  TYR  27           HE2      TYR  27  -2.694  -4.609   3.415
  195    HH   TYR  27           HH       TYR  27  -3.045  -6.566   5.546
  196    H    ILE  28           H        ILE  28  -1.681  -7.700  -0.571
  197    HA   ILE  28           HA       ILE  28  -2.856  -9.198   1.565
  198    HB   ILE  28           HB       ILE  28  -3.858  -7.694  -0.824
  199   1HG1  ILE  28          1HG1      ILE  28  -4.239  -7.429   2.171
  200   2HG1  ILE  28          2HG1      ILE  28  -3.277  -6.393   1.135
  201   1HG2  ILE  28          1HG2      ILE  28  -5.479  -9.265  -1.010
  202   2HG2  ILE  28          2HG2      ILE  28  -5.269  -9.848   0.659
  203   3HG2  ILE  28          3HG2      ILE  28  -6.179  -8.350   0.347
  204   1HD1  ILE  28          1HD1      ILE  28  -6.242  -6.510   1.481
  205   2HD1  ILE  28          2HD1      ILE  28  -5.191  -5.118   1.122
  206   3HD1  ILE  28          3HD1      ILE  28  -5.664  -6.236  -0.180
  207    H    ASN  29           H        ASN  29  -1.472  -9.893  -1.540
  208    HA   ASN  29           HA       ASN  29  -3.026 -11.932  -2.429
  209   1HB   ASN  29          HB1       ASN  29  -0.414 -10.888  -2.952
  210   2HB   ASN  29          HB2       ASN  29  -0.188 -12.609  -2.707
  211   1HD2  ASN  29          HD2       ASN  29   0.377 -12.774  -4.905
  212   2HD2  ASN  29          HD2       ASN  29  -0.817 -12.824  -6.160
  213    H    LEU  30           H        LEU  30  -0.996 -11.699   0.421
  214    HA   LEU  30           HA       LEU  30  -0.565 -14.516   0.712
  215   1HB   LEU  30          HB1       LEU  30  -0.173 -12.212   2.628
  216   2HB   LEU  30          HB2       LEU  30   0.343 -13.863   2.910
  217    HG   LEU  30           HG       LEU  30   1.326 -12.162   0.604
  218   1HD1  LEU  30          HD1       LEU  30   2.728 -12.716   3.232
  219   2HD1  LEU  30          HD1       LEU  30   3.345 -11.758   1.865
  220   3HD1  LEU  30          HD1       LEU  30   1.940 -11.182   2.794
  221   1HD2  LEU  30          HD2       LEU  30   2.953 -13.833   0.218
  222   2HD2  LEU  30          HD2       LEU  30   2.567 -14.673   1.738
  223   3HD2  LEU  30          HD2       LEU  30   1.401 -14.686   0.394
  224    H    ALA  31           H        ALA  31  -3.157 -12.283   1.281
  225    HA   ALA  31           HA       ALA  31  -4.835 -14.347   2.211
  226   1HB   ALA  31          HB1       ALA  31  -3.507 -12.578   4.221
  227   2HB   ALA  31          HB2       ALA  31  -5.246 -12.888   4.439
  228   3HB   ALA  31          HB3       ALA  31  -4.099 -14.248   4.383
  229   1HN   AIB  32          1HN       AIB  32  -6.325 -13.692   0.677
  230   1HB1  AIB  32          1HB1      AIB  32  -7.147 -11.729  -1.751
  231   2HB1  AIB  32          2HB1      AIB  32  -5.726 -11.149  -0.842
  232   3HB1  AIB  32          3HB1      AIB  32  -7.173 -10.132  -0.953
  233   1HB2  AIB  32          1HB2      AIB  32  -7.895 -11.256   2.481
  234   2HB2  AIB  32          2HB2      AIB  32  -8.857 -10.420   1.250
  235   3HB2  AIB  32          3HB2      AIB  32  -7.145  -9.976   1.488
  236    H    ARG  33           H        ARG  33  -7.434 -14.296  -0.615
  237    HA   ARG  33           HA       ARG  33 -10.345 -14.249  -0.615
  238   1HB   ARG  33          HB1       ARG  33  -8.827 -15.942  -2.607
  239   2HB   ARG  33          HB2       ARG  33 -10.422 -15.230  -2.758
  240   1HG   ARG  33          HG1       ARG  33  -7.818 -13.631  -2.744
  241   2HG   ARG  33          HG2       ARG  33  -8.677 -14.106  -4.196
  242   1HD   ARG  33          HD1       ARG  33  -9.425 -12.046  -2.134
  243   2HD   ARG  33          HD2       ARG  33  -9.557 -11.965  -3.880
  244    HE   ARG  33           HE       ARG  33 -11.523 -13.136  -2.021
  245   1HH1  ARG  33          HH1       ARG  33 -13.762 -13.811  -4.611
  246   2HH1  ARG  33          HH1       ARG  33 -13.549 -13.732  -2.894
  247   1HH2  ARG  33          HH2       ARG  33 -11.991 -13.312  -6.025
  248   2HH2  ARG  33          HH2       ARG  33 -10.455 -12.860  -5.363
  249    H    GLN  34           H        GLN  34  -7.296 -16.120  -0.294
  250    HA   GLN  34           HA       GLN  34  -8.399 -18.602   0.113
  251   1HB   GLN  34          HB1       GLN  34  -5.892 -17.738  -0.110
  252   2HB   GLN  34          HB2       GLN  34  -5.944 -17.729   1.641
  253   1HG   GLN  34          HG1       GLN  34  -6.262 -20.066   1.786
  254   2HG   GLN  34          HG2       GLN  34  -6.930 -20.182   0.170
  255   1HE2  GLN  34          1HE2      GLN  34  -4.644 -21.494   1.623
  256   2HE2  GLN  34          2HE2      GLN  34  -3.273 -21.347   0.575
  257    H    ARG  35           H        ARG  35  -8.603 -15.751   2.052
  258    HA   ARG  35           HA       ARG  35  -9.487 -17.406   4.278
  259   1HB   ARG  35          HB1       ARG  35  -7.384 -15.576   4.332
  260   2HB   ARG  35          HB2       ARG  35  -8.717 -14.605   4.924
  261   1HG   ARG  35          HG1       ARG  35  -9.241 -16.554   6.543
  262   2HG   ARG  35          HG2       ARG  35  -7.697 -17.238   6.073
  263   1HD   ARG  35          HD1       ARG  35  -6.459 -15.511   7.086
  264   2HD   ARG  35          HD2       ARG  35  -7.759 -14.345   6.943
  265    HE   ARG  35           HE       ARG  35  -8.801 -16.263   8.660
  266   1HH1  ARG  35          HH1       ARG  35  -7.332 -15.335  11.686
  267   2HH1  ARG  35          HH1       ARG  35  -8.636 -16.195  10.938
  268   1HH2  ARG  35          HH2       ARG  35  -5.753 -14.252  10.375
  269   2HH2  ARG  35          HH2       ARG  35  -5.878 -14.303   8.648
  270    H    TYR  36           H        TYR  36 -10.856 -16.151   1.815
  271    HA   TYR  36           HA       TYR  36 -12.574 -14.795   1.298
  272   1HB   TYR  36          HB1       TYR  36 -13.689 -15.723   3.989
  273   2HB   TYR  36          HB2       TYR  36 -14.531 -15.645   2.454
  274    HD1  TYR  36           HD1      TYR  36 -13.414 -17.877   4.781
  275    HD2  TYR  36           HD2      TYR  36 -13.154 -17.193   0.566
  276    HE1  TYR  36           HE1      TYR  36 -12.963 -20.350   4.401
  277    HE2  TYR  36           HE2      TYR  36 -12.704 -19.669   0.200
  278    HH   TYR  36           HH       TYR  36 -12.741 -21.659   1.130
  279   1HN   NH2  37          HN1       NH2 237 -11.699 -12.740   1.522
  280   2HN   NH2  37          HN2       NH2 237 -12.054 -11.706   2.865
  Start of MODEL    4
    1    H    TYR   1           H        TYR   1  10.347  10.474 -22.325
    2    HA   TYR   1           HA       TYR   1  12.065   8.245 -23.140
    3   1HB   TYR   1          HB1       TYR   1  13.063  11.020 -22.308
    4   2HB   TYR   1          HB2       TYR   1  13.965   9.782 -23.158
    5    HD1  TYR   1           HD1      TYR   1  12.567  12.889 -23.575
    6    HD2  TYR   1           HD2      TYR   1  12.652   9.069 -25.500
    7    HE1  TYR   1           HE1      TYR   1  11.996  13.988 -25.796
    8    HE2  TYR   1           HE2      TYR   1  12.081  10.181 -27.714
    9    HH   TYR   1           HH       TYR   1  12.207  13.580 -28.109
   10    HA   PRO   2           HA       PRO   2  11.464   8.283 -18.679
   11   1HB   PRO   2          HB1       PRO   2  10.935   5.617 -18.387
   12   2HB   PRO   2          HB2       PRO   2   9.683   6.826 -18.587
   13   1HG   PRO   2          HG1       PRO   2  10.698   4.865 -20.553
   14   2HG   PRO   2          HG2       PRO   2   9.198   5.771 -20.580
   15   1HD   PRO   2          HD1       PRO   2  11.553   6.305 -22.128
   16   2HD   PRO   2          HD2       PRO   2  10.096   7.276 -22.068
   17    H    SER   3           H        SER   3  13.674   8.939 -18.579
   18    HA   SER   3           HA       SER   3  15.385   6.590 -18.357
   19   1HB   SER   3          HB1       SER   3  15.812   9.355 -19.401
   20   2HB   SER   3          HB2       SER   3  17.138   8.695 -18.465
   21    HG   SER   3           HG       SER   3  16.709   6.689 -19.954
   22    H    LYS   4           H        LYS   4  14.765   6.157 -16.137
   23    HA   LYS   4           HA       LYS   4  14.849   6.357 -13.939
   24   1HB   LYS   4          HB1       LYS   4  17.074   6.249 -13.674
   25   2HB   LYS   4          HB2       LYS   4  17.388   7.428 -14.932
   26   1HG   LYS   4          HG1       LYS   4  17.173   9.268 -13.454
   27   2HG   LYS   4          HG2       LYS   4  16.223   8.359 -12.295
   28   1HD   LYS   4          HD1       LYS   4  18.089   7.354 -11.329
   29   2HD   LYS   4          HD2       LYS   4  19.005   7.357 -12.822
   30   1HE   LYS   4          HE1       LYS   4  19.840   9.485 -12.475
   31   2HE   LYS   4          HE2       LYS   4  18.360  10.065 -11.737
   32   1HZ   LYS   4          HZ1       LYS   4  20.650   9.166 -10.471
   33   2HZ   LYS   4          HZ2       LYS   4  19.277   9.724  -9.784
   34   3HZ   LYS   4          HZ3       LYS   4  19.452   8.127 -10.081
   35    HA   PRO   5           HA       PRO   5  12.545  10.149 -13.723
   36   1HB   PRO   5          HB1       PRO   5  10.455   9.152 -12.272
   37   2HB   PRO   5          HB2       PRO   5  10.484   9.168 -14.024
   38   1HG   PRO   5          HG1       PRO   5  10.878   6.888 -12.185
   39   2HG   PRO   5          HG2       PRO   5  10.484   6.866 -13.892
   40   1HD   PRO   5          HD1       PRO   5  13.045   6.335 -12.716
   41   2HD   PRO   5          HD2       PRO   5  12.676   6.426 -14.426
   42    H    ASP   6           H        ASP   6  13.913  11.418 -12.548
   43    HA   ASP   6           HA       ASP   6  14.313  10.654  -9.830
   44   1HB   ASP   6          HB1       ASP   6  15.742  12.672  -9.734
   45   2HB   ASP   6          HB2       ASP   6  16.134  11.695 -11.135
   46    H    ASN   7           H        ASN   7  13.019  11.382  -8.125
   47    HA   ASN   7           HA       ASN   7  12.104  13.897  -7.796
   48   1HB   ASN   7          HB1       ASN   7  10.585  12.694  -9.855
   49   2HB   ASN   7          HB2       ASN   7   9.566  12.523  -8.440
   50   1HD2  ASN   7          HD2       ASN   7   8.385  14.171  -7.803
   51   2HD2  ASN   7          HD2       ASN   7   8.533  15.817  -8.323
   52    HA   PRO   8           HA       PRO   8  11.035  11.737  -4.128
   53   1HB   PRO   8          HB1       PRO   8   9.758  13.699  -2.717
   54   2HB   PRO   8          HB2       PRO   8  11.503  13.570  -2.815
   55   1HG   PRO   8          HG1       PRO   8   9.707  15.480  -4.179
   56   2HG   PRO   8          HG2       PRO   8  11.437  15.591  -3.923
   57   1HD   PRO   8          HD1       PRO   8  10.105  14.891  -6.365
   58   2HD   PRO   8          HD2       PRO   8  11.833  14.889  -6.076
   59    H    GLY   9           H        GLY   9   8.386  13.643  -5.458
   60   1HA   GLY   9          HA1       GLY   9   6.602  11.943  -6.207
   61   2HA   GLY   9          HA2       GLY   9   6.531  11.570  -4.496
   62    H    GLU  10           H        GLU  10   6.839  14.657  -6.405
   63    HA   GLU  10           HA       GLU  10   4.351  15.500  -5.180
   64   1HB   GLU  10          HB1       GLU  10   6.602  17.500  -5.322
   65   2HB   GLU  10          HB2       GLU  10   5.205  17.482  -4.265
   66   1HG   GLU  10          HG1       GLU  10   6.213  15.361  -3.185
   67   2HG   GLU  10          HG2       GLU  10   7.676  15.706  -4.086
   68    H    ASP  11           H        ASP  11   3.698  14.886  -7.454
   69    HA   ASP  11           HA       ASP  11   4.083  17.211  -9.138
   70   1HB   ASP  11          HB1       ASP  11   5.591  15.753 -10.221
   71   2HB   ASP  11          HB2       ASP  11   4.656  14.326  -9.823
   72    H    ALA  12           H        ALA  12   2.484  13.949  -8.807
   73    HA   ALA  12           HA       ALA  12  -0.108  15.207  -9.021
   74   1HB   ALA  12          HB1       ALA  12  -0.231  14.845 -11.252
   75   2HB   ALA  12          HB2       ALA  12   1.189  13.772 -11.247
   76   3HB   ALA  12          HB3       ALA  12  -0.415  13.128 -10.820
   77    HA   PRO  13           HA       PRO  13  -1.142  11.850  -6.496
   78   1HB   PRO  13          HB1       PRO  13  -3.738  11.286  -7.135
   79   2HB   PRO  13          HB2       PRO  13  -3.273  12.633  -6.116
   80   1HG   PRO  13          HG1       PRO  13  -4.172  12.664  -8.932
   81   2HG   PRO  13          HG2       PRO  13  -4.113  13.987  -7.783
   82   1HD   PRO  13          HD1       PRO  13  -2.277  13.497  -9.932
   83   2HD   PRO  13          HD2       PRO  13  -2.155  14.751  -8.714
   84    H    ALA  14           H        ALA  14  -2.629   9.590  -6.582
   85    HA   ALA  14           HA       ALA  14  -2.227   7.457  -7.111
   86   1HB   ALA  14          HB1       ALA  14  -2.621   7.092  -9.675
   87   2HB   ALA  14          HB2       ALA  14  -3.931   7.779  -8.686
   88   3HB   ALA  14          HB3       ALA  14  -2.930   8.845  -9.700
   89    H    GLU  15           H        GLU  15   0.181   9.271  -6.975
   90    HA   GLU  15           HA       GLU  15   1.884   7.657  -8.711
   91   1HB   GLU  15          HB1       GLU  15   1.768  10.090  -9.358
   92   2HB   GLU  15          HB2       GLU  15   2.403  10.515  -7.780
   93   1HG   GLU  15          HG1       GLU  15   4.417  10.416  -8.899
   94   2HG   GLU  15          HG2       GLU  15   4.301   8.717  -8.486
   95    H    ASP  16           H        ASP  16   1.099   8.820  -5.501
   96    HA   ASP  16           HA       ASP  16   3.580   7.650  -4.520
   97   1HB   ASP  16          HB1       ASP  16   2.924  10.096  -3.956
   98   2HB   ASP  16          HB2       ASP  16   1.642   9.421  -2.971
   99    H    LEU  17           H        LEU  17   0.005   7.717  -4.400
  100    HA   LEU  17           HA       LEU  17  -0.097   5.781  -2.258
  101   1HB   LEU  17          HB1       LEU  17  -1.724   7.815  -3.020
  102   2HB   LEU  17          HB2       LEU  17  -2.530   6.460  -3.786
  103    HG   LEU  17           HG       LEU  17  -1.843   5.785  -1.057
  104   1HD1  LEU  17          HD1       LEU  17  -2.974   7.387   0.210
  105   2HD1  LEU  17          HD1       LEU  17  -2.006   8.349  -0.933
  106   3HD1  LEU  17          HD1       LEU  17  -3.747   8.115  -1.219
  107   1HD2  LEU  17          HD2       LEU  17  -4.674   6.167  -1.777
  108   2HD2  LEU  17          HD2       LEU  17  -3.758   5.111  -2.879
  109   3HD2  LEU  17          HD2       LEU  17  -3.825   4.738  -1.139
  110    H    ALA  18           H        ALA  18   0.117   5.876  -5.737
  111    HA   ALA  18           HA       ALA  18  -1.246   3.521  -6.357
  112   1HB   ALA  18          HB1       ALA  18   1.049   3.911  -8.056
  113   2HB   ALA  18          HB2       ALA  18  -0.666   4.241  -8.403
  114   3HB   ALA  18          HB3       ALA  18   0.349   5.497  -7.654
  115    H    ARG  19           H        ARG  19   2.217   4.153  -5.495
  116    HA   ARG  19           HA       ARG  19   3.071   1.574  -5.824
  117   1HB   ARG  19          HB1       ARG  19   4.016   3.715  -3.852
  118   2HB   ARG  19          HB2       ARG  19   4.911   2.247  -4.191
  119   1HG   ARG  19          HG1       ARG  19   4.091   3.736  -6.629
  120   2HG   ARG  19          HG2       ARG  19   5.175   4.634  -5.585
  121   1HD   ARG  19          HD1       ARG  19   6.753   2.664  -5.572
  122   2HD   ARG  19          HD2       ARG  19   5.682   1.822  -6.674
  123    HE   ARG  19           HE       ARG  19   6.101   4.168  -8.020
  124   1HH1  ARG  19          HH1       ARG  19   9.348   3.832  -9.253
  125   2HH1  ARG  19          HH1       ARG  19   7.826   4.636  -9.444
  126   1HH2  ARG  19          HH2       ARG  19   9.636   2.279  -7.552
  127   2HH2  ARG  19          HH2       ARG  19   8.328   1.925  -6.473
  128    H    TYR  20           H        TYR  20   1.018   3.003  -3.380
  129    HA   TYR  20           HA       TYR  20   1.531   0.847  -1.487
  130   1HB   TYR  20          HB1       TYR  20   1.269   2.974  -0.421
  131   2HB   TYR  20          HB2       TYR  20   0.154   3.550  -1.644
  132    HD1  TYR  20           HD1      TYR  20   0.352   1.016   1.116
  133    HD2  TYR  20           HD2      TYR  20  -2.114   3.699  -1.127
  134    HE1  TYR  20           HE1      TYR  20  -1.607   0.517   2.658
  135    HE2  TYR  20           HE2      TYR  20  -4.064   3.191   0.423
  136    HH   TYR  20           HH       TYR  20  -3.854   0.649   2.810
  137    H    TYR  21           H        TYR  21  -0.477   1.540  -4.186
  138    HA   TYR  21           HA       TYR  21  -2.657  -0.108  -3.141
  139   1HB   TYR  21          HB1       TYR  21  -2.208   2.119  -5.036
  140   2HB   TYR  21          HB2       TYR  21  -3.043   0.809  -5.846
  141    HD1  TYR  21           HD1      TYR  21  -5.368   0.575  -5.624
  142    HD2  TYR  21           HD2      TYR  21  -3.226   2.957  -2.788
  143    HE1  TYR  21           HE1      TYR  21  -7.565   1.358  -4.613
  144    HE2  TYR  21           HE2      TYR  21  -5.430   3.732  -1.786
  145    HH   TYR  21           HH       TYR  21  -8.435   2.262  -2.686
  146    H    SER  22           H        SER  22   0.039  -0.059  -5.450
  147    HA   SER  22           HA       SER  22  -0.959  -2.318  -6.869
  148   1HB   SER  22          HB1       SER  22   0.885  -0.301  -7.406
  149   2HB   SER  22          HB2       SER  22   1.921  -1.690  -7.142
  150    HG   SER  22           HG       SER  22   1.437  -1.890  -9.276
  151    H    ALA  23           H        ALA  23   1.261  -1.615  -4.168
  152    HA   ALA  23           HA       ALA  23   2.327  -4.291  -4.146
  153   1HB   ALA  23          HB1       ALA  23   3.111  -3.172  -1.796
  154   2HB   ALA  23          HB2       ALA  23   3.947  -2.896  -3.342
  155   3HB   ALA  23          HB3       ALA  23   2.771  -1.703  -2.742
  156    H    LEU  24           H        LEU  24  -0.421  -2.533  -2.869
  157    HA   LEU  24           HA       LEU  24  -0.855  -4.055  -0.558
  158   1HB   LEU  24          HB1       LEU  24  -2.381  -2.498  -0.295
  159   2HB   LEU  24          HB2       LEU  24  -2.043  -1.896  -1.906
  160    HG   LEU  24           HG       LEU  24  -4.392  -2.241  -1.731
  161   1HD1  LEU  24          HD1       LEU  24  -4.416  -2.944  -3.832
  162   2HD1  LEU  24          HD1       LEU  24  -2.787  -3.633  -3.631
  163   3HD1  LEU  24          HD1       LEU  24  -4.223  -4.625  -3.280
  164   1HD2  LEU  24          HD2       LEU  24  -4.679  -5.058  -1.391
  165   2HD2  LEU  24          HD2       LEU  24  -3.673  -4.432  -0.062
  166   3HD2  LEU  24          HD2       LEU  24  -5.284  -3.738  -0.362
  167    H    ARG  25           H        ARG  25  -0.917  -4.910  -3.876
  168    HA   ARG  25           HA       ARG  25  -2.979  -6.857  -3.565
  169   1HB   ARG  25          HB1       ARG  25  -2.205  -5.520  -5.734
  170   2HB   ARG  25          HB2       ARG  25  -1.015  -6.798  -5.880
  171   1HG   ARG  25          HG1       ARG  25  -2.638  -7.972  -6.967
  172   2HG   ARG  25          HG2       ARG  25  -3.332  -8.248  -5.381
  173   1HD   ARG  25          HD1       ARG  25  -4.782  -6.267  -5.611
  174   2HD   ARG  25          HD2       ARG  25  -4.009  -5.828  -7.121
  175    HE   ARG  25           HE       ARG  25  -4.878  -8.382  -7.648
  176   1HH1  ARG  25          HH1       ARG  25  -8.300  -7.943  -8.170
  177   2HH1  ARG  25          HH1       ARG  25  -6.932  -8.963  -8.464
  178   1HH2  ARG  25          HH2       ARG  25  -8.048  -5.987  -6.946
  179   2HH2  ARG  25          HH2       ARG  25  -6.491  -5.547  -6.328
  180    H    HIS  26           H        HIS  26   0.595  -6.878  -4.285
  181    HA   HIS  26           HA       HIS  26   0.851  -9.648  -4.032
  182   1HB   HIS  26          HB1       HIS  26   2.433  -7.560  -4.871
  183   2HB   HIS  26          HB2       HIS  26   3.225  -8.030  -3.380
  184    HD1  HIS  26           HD1      HIS  26   3.118 -11.039  -3.381
  185    HD2  HIS  26           HD2      HIS  26   3.784  -8.814  -6.875
  186    HE1  HIS  26           HE1      HIS  26   4.287 -12.609  -5.017
  187    H    TYR  27           H        TYR  27   0.483  -7.081  -1.696
  188    HA   TYR  27           HA       TYR  27   1.737  -8.544   0.446
  189   1HB   TYR  27          HB1       TYR  27   1.824  -6.177   0.705
  190   2HB   TYR  27          HB2       TYR  27   0.296  -5.941  -0.120
  191    HD1  TYR  27           HD1      TYR  27   1.280  -7.869   2.954
  192    HD2  TYR  27           HD2      TYR  27  -1.206  -4.832   1.251
  193    HE1  TYR  27           HE1      TYR  27   0.112  -7.560   5.191
  194    HE2  TYR  27           HE2      TYR  27  -2.365  -4.533   3.493
  195    HH   TYR  27           HH       TYR  27  -2.344  -5.040   5.609
  196    H    ILE  28           H        ILE  28  -1.596  -7.775  -0.706
  197    HA   ILE  28           HA       ILE  28  -2.784  -9.127   1.522
  198    HB   ILE  28           HB       ILE  28  -3.810  -7.836  -0.989
  199   1HG1  ILE  28          1HG1      ILE  28  -3.177  -6.277   0.707
  200   2HG1  ILE  28          2HG1      ILE  28  -4.928  -6.347   0.668
  201   1HG2  ILE  28          1HG2      ILE  28  -6.077  -8.348  -0.343
  202   2HG2  ILE  28          2HG2      ILE  28  -5.164  -9.863  -0.542
  203   3HG2  ILE  28          3HG2      ILE  28  -5.509  -9.240   1.090
  204   1HD1  ILE  28          1HD1      ILE  28  -4.712  -8.145   2.551
  205   2HD1  ILE  28          2HD1      ILE  28  -3.043  -7.549   2.721
  206   3HD1  ILE  28          3HD1      ILE  28  -4.414  -6.443   2.981
  207    H    ASN  29           H        ASN  29  -1.262 -10.073  -1.402
  208    HA   ASN  29           HA       ASN  29  -2.801 -12.101  -2.315
  209   1HB   ASN  29          HB1       ASN  29  -0.443 -11.197  -3.085
  210   2HB   ASN  29          HB2       ASN  29   0.216 -12.411  -2.006
  211   1HD2  ASN  29          HD2       ASN  29   0.893 -14.068  -3.122
  212   2HD2  ASN  29          HD2       ASN  29   0.074 -14.867  -4.421
  213    H    LEU  30           H        LEU  30  -0.923 -11.815   0.673
  214    HA   LEU  30           HA       LEU  30  -0.673 -14.579   1.212
  215   1HB   LEU  30          HB1       LEU  30  -0.089 -12.027   2.514
  216   2HB   LEU  30          HB2       LEU  30  -0.590 -13.272   3.641
  217    HG   LEU  30           HG       LEU  30   1.948 -12.909   2.971
  218   1HD1  LEU  30          HD1       LEU  30   1.421 -15.789   3.082
  219   2HD1  LEU  30          HD1       LEU  30   2.294 -14.730   4.217
  220   3HD1  LEU  30          HD1       LEU  30   0.520 -14.851   4.298
  221   1HD2  LEU  30          HD2       LEU  30   1.578 -15.171   1.116
  222   2HD2  LEU  30          HD2       LEU  30   1.029 -13.593   0.503
  223   3HD2  LEU  30          HD2       LEU  30   2.709 -13.797   1.055
  224    H    ALA  31           H        ALA  31  -3.327 -12.355   1.247
  225    HA   ALA  31           HA       ALA  31  -5.082 -14.411   2.134
  226   1HB   ALA  31          HB1       ALA  31  -5.049 -13.953   4.337
  227   2HB   ALA  31          HB2       ALA  31  -4.013 -12.528   4.088
  228   3HB   ALA  31          HB3       ALA  31  -5.781 -12.379   3.945
  229   1HN   AIB  32          1HN       AIB  32  -6.299 -14.093   0.284
  230   1HB1  AIB  32          1HB1      AIB  32  -6.849 -10.430  -1.236
  231   2HB1  AIB  32          2HB1      AIB  32  -6.804 -11.718  -2.469
  232   3HB1  AIB  32          3HB1      AIB  32  -5.496 -11.595  -1.280
  233   1HB2  AIB  32          1HB2      AIB  32  -8.080 -11.547   1.472
  234   2HB2  AIB  32          2HB2      AIB  32  -9.395 -12.007   0.379
  235   3HB2  AIB  32          3HB2      AIB  32  -8.433 -10.544   0.039
  236    H    ARG  33           H        ARG  33  -6.571 -14.744  -1.355
  237    HA   ARG  33           HA       ARG  33  -9.220 -15.221  -2.466
  238   1HB   ARG  33          HB1       ARG  33  -6.775 -16.480  -3.721
  239   2HB   ARG  33          HB2       ARG  33  -8.303 -16.063  -4.470
  240   1HG   ARG  33          HG1       ARG  33  -7.502 -13.563  -3.782
  241   2HG   ARG  33          HG2       ARG  33  -5.924 -14.314  -3.902
  242   1HD   ARG  33          HD1       ARG  33  -6.269 -13.575  -6.110
  243   2HD   ARG  33          HD2       ARG  33  -6.789 -15.245  -6.212
  244    HE   ARG  33           HE       ARG  33  -9.130 -13.991  -5.551
  245   1HH1  ARG  33          HH1       ARG  33 -10.079 -12.421  -8.519
  246   2HH1  ARG  33          HH1       ARG  33 -10.623 -13.038  -6.995
  247   1HH2  ARG  33          HH2       ARG  33  -7.835 -12.562  -9.095
  248   2HH2  ARG  33          HH2       ARG  33  -6.704 -13.285  -8.000
  249    H    GLN  34           H        GLN  34  -6.213 -16.517  -0.993
  250    HA   GLN  34           HA       GLN  34  -6.984 -19.184  -0.984
  251   1HB   GLN  34          HB1       GLN  34  -4.662 -18.130  -0.542
  252   2HB   GLN  34          HB2       GLN  34  -5.205 -17.869   1.103
  253   1HG   GLN  34          HG1       GLN  34  -4.615 -20.002   1.589
  254   2HG   GLN  34          HG2       GLN  34  -5.896 -20.561   0.533
  255   1HE2  GLN  34          1HE2      GLN  34  -4.582 -22.373   0.072
  256   2HE2  GLN  34          2HE2      GLN  34  -3.295 -22.296  -1.085
  257    H    ARG  35           H        ARG  35  -8.034 -16.431   0.891
  258    HA   ARG  35           HA       ARG  35  -8.982 -18.106   3.024
  259   1HB   ARG  35          HB1       ARG  35  -8.408 -15.263   2.643
  260   2HB   ARG  35          HB2       ARG  35 -10.021 -15.458   3.300
  261   1HG   ARG  35          HG1       ARG  35  -7.786 -17.081   4.519
  262   2HG   ARG  35          HG2       ARG  35  -7.860 -15.370   4.892
  263   1HD   ARG  35          HD1       ARG  35  -9.964 -15.553   5.968
  264   2HD   ARG  35          HD2       ARG  35 -10.380 -17.036   5.132
  265    HE   ARG  35           HE       ARG  35  -8.029 -17.243   6.898
  266   1HH1  ARG  35          HH1       ARG  35  -9.734 -19.302   9.140
  267   2HH1  ARG  35          HH1       ARG  35  -8.191 -18.667   8.677
  268   1HH2  ARG  35          HH2       ARG  35 -11.638 -18.706   7.953
  269   2HH2  ARG  35          HH2       ARG  35 -11.515 -17.627   6.604
  270    H    TYR  36           H        TYR  36 -10.033 -18.439   0.245
  271    HA   TYR  36           HA       TYR  36 -12.842 -18.206   0.907
  272   1HB   TYR  36          HB1       TYR  36 -12.871 -16.221  -0.346
  273   2HB   TYR  36          HB2       TYR  36 -11.283 -16.534  -1.016
  274    HD1  TYR  36           HD1      TYR  36 -14.632 -18.228  -1.281
  275    HD2  TYR  36           HD2      TYR  36 -11.285 -16.522  -3.328
  276    HE1  TYR  36           HE1      TYR  36 -15.686 -18.825  -3.517
  277    HE2  TYR  36           HE2      TYR  36 -12.350 -17.124  -5.557
  278    HH   TYR  36           HH       TYR  36 -14.137 -17.857  -6.555
  279   1HN   NH2  37          HN1       NH2 237 -10.471 -18.929  -1.664
  280   2HN   NH2  37          HN2       NH2 237 -11.150 -20.450  -2.141
  Start of MODEL    5
    1    H    TYR   1           H        TYR   1  -0.506  10.628 -30.932
    2    HA   TYR   1           HA       TYR   1  -1.602   8.513 -29.532
    3   1HB   TYR   1          HB1       TYR   1  -1.281  11.035 -27.821
    4   2HB   TYR   1          HB2       TYR   1  -1.753   9.439 -27.273
    5    HD1  TYR   1           HD1      TYR   1   0.709  11.646 -26.798
    6    HD2  TYR   1           HD2      TYR   1   0.287   7.649 -28.264
    7    HE1  TYR   1           HE1      TYR   1   3.118  11.148 -26.157
    8    HE2  TYR   1           HE2      TYR   1   2.697   7.165 -27.618
    9    HH   TYR   1           HH       TYR   1   4.845   8.782 -27.342
   10    HA   PRO   2           HA       PRO   2  -4.555  11.285 -31.411
   11   1HB   PRO   2          HB1       PRO   2  -6.057   9.359 -32.637
   12   2HB   PRO   2          HB2       PRO   2  -4.707  10.160 -33.414
   13   1HG   PRO   2          HG1       PRO   2  -4.847   7.425 -32.302
   14   2HG   PRO   2          HG2       PRO   2  -3.689   8.091 -33.436
   15   1HD   PRO   2          HD1       PRO   2  -3.267   7.603 -30.641
   16   2HD   PRO   2          HD2       PRO   2  -2.151   8.374 -31.751
   17    H    SER   3           H        SER   3  -5.205   8.296 -29.703
   18    HA   SER   3           HA       SER   3  -7.762   8.529 -29.101
   19   1HB   SER   3          HB1       SER   3  -5.951   6.879 -28.217
   20   2HB   SER   3          HB2       SER   3  -5.745   8.004 -26.889
   21    HG   SER   3           HG       SER   3  -8.427   7.352 -27.424
   22    H    LYS   4           H        LYS   4  -5.115  10.159 -27.200
   23    HA   LYS   4           HA       LYS   4  -5.089  12.027 -26.023
   24   1HB   LYS   4          HB1       LYS   4  -5.821  13.558 -27.491
   25   2HB   LYS   4          HB2       LYS   4  -7.152  12.556 -28.035
   26   1HG   LYS   4          HG1       LYS   4  -8.605  13.314 -26.323
   27   2HG   LYS   4          HG2       LYS   4  -7.286  13.823 -25.287
   28   1HD   LYS   4          HD1       LYS   4  -7.495  15.925 -26.105
   29   2HD   LYS   4          HD2       LYS   4  -6.986  15.338 -27.676
   30   1HE   LYS   4          HE1       LYS   4  -9.179  15.150 -28.482
   31   2HE   LYS   4          HE2       LYS   4  -9.860  14.883 -26.889
   32   1HZ   LYS   4          HZ1       LYS   4  -9.698  17.259 -28.246
   33   2HZ   LYS   4          HZ2       LYS   4 -10.230  17.031 -26.719
   34   3HZ   LYS   4          HZ3       LYS   4  -8.664  17.409 -26.990
   35    HA   PRO   5           HA       PRO   5  -7.655  10.252 -22.862
   36   1HB   PRO   5          HB1       PRO   5  -5.787  10.337 -20.870
   37   2HB   PRO   5          HB2       PRO   5  -5.992   8.959 -21.932
   38   1HG   PRO   5          HG1       PRO   5  -3.865  11.012 -21.950
   39   2HG   PRO   5          HG2       PRO   5  -3.867   9.427 -22.697
   40   1HD   PRO   5          HD1       PRO   5  -4.247  11.946 -24.014
   41   2HD   PRO   5          HD2       PRO   5  -4.364  10.356 -24.741
   42    H    ASP   6           H        ASP   6  -5.590  13.068 -22.579
   43    HA   ASP   6           HA       ASP   6  -5.992  15.054 -21.801
   44   1HB   ASP   6          HB1       ASP   6  -8.270  14.672 -22.984
   45   2HB   ASP   6          HB2       ASP   6  -8.920  14.314 -21.397
   46    H    ASN   7           H        ASN   7  -5.452  15.729 -19.708
   47    HA   ASN   7           HA       ASN   7  -6.972  15.193 -17.487
   48   1HB   ASN   7          HB1       ASN   7  -5.607  13.543 -16.265
   49   2HB   ASN   7          HB2       ASN   7  -6.127  12.835 -17.782
   50   1HD2  ASN   7          HD2       ASN   7  -3.697  12.725 -15.836
   51   2HD2  ASN   7          HD2       ASN   7  -2.320  12.687 -16.886
   52    HA   PRO   8           HA       PRO   8  -4.058  18.204 -16.188
   53   1HB   PRO   8          HB1       PRO   8  -4.525  18.309 -13.498
   54   2HB   PRO   8          HB2       PRO   8  -5.538  19.115 -14.678
   55   1HG   PRO   8          HG1       PRO   8  -6.082  16.645 -13.147
   56   2HG   PRO   8          HG2       PRO   8  -7.213  17.686 -13.989
   57   1HD   PRO   8          HD1       PRO   8  -6.231  15.142 -14.879
   58   2HD   PRO   8          HD2       PRO   8  -7.270  16.235 -15.772
   59    H    GLY   9           H        GLY   9  -2.381  18.684 -14.243
   60   1HA   GLY   9          HA1       GLY   9  -1.066  16.322 -13.319
   61   2HA   GLY   9          HA2       GLY   9  -0.250  17.013 -14.707
   62    H    GLU  10           H        GLU  10  -1.980  18.424 -11.829
   63    HA   GLU  10           HA       GLU  10   0.163  20.332 -11.612
   64   1HB   GLU  10          HB1       GLU  10  -2.168  20.231  -9.699
   65   2HB   GLU  10          HB2       GLU  10  -1.303  21.626 -10.313
   66   1HG   GLU  10          HG1       GLU  10  -2.296  20.638 -12.665
   67   2HG   GLU  10          HG2       GLU  10  -3.538  20.072 -11.565
   68    H    ASP  11           H        ASP  11  -1.601  18.039  -9.398
   69    HA   ASP  11           HA       ASP  11   0.743  18.093  -7.698
   70   1HB   ASP  11          HB1       ASP  11  -2.024  16.874  -7.255
   71   2HB   ASP  11          HB2       ASP  11  -0.745  16.914  -6.057
   72    H    ALA  12           H        ALA  12  -1.690  15.758  -9.098
   73    HA   ALA  12           HA       ALA  12  -1.496  13.694  -9.871
   74   1HB   ALA  12          HB1       ALA  12   0.836  14.969 -10.708
   75   2HB   ALA  12          HB2       ALA  12   1.430  13.474  -9.946
   76   3HB   ALA  12          HB3       ALA  12   0.246  13.388 -11.273
   77    HA   PRO  13           HA       PRO  13  -0.424  12.339  -5.669
   78   1HB   PRO  13          HB1       PRO  13  -2.938  11.683  -4.822
   79   2HB   PRO  13          HB2       PRO  13  -2.190  13.232  -4.493
   80   1HG   PRO  13          HG1       PRO  13  -4.313  12.577  -6.443
   81   2HG   PRO  13          HG2       PRO  13  -3.857  14.143  -5.801
   82   1HD   PRO  13          HD1       PRO  13  -3.217  13.099  -8.395
   83   2HD   PRO  13          HD2       PRO  13  -2.665  14.614  -7.710
   84    H    ALA  14           H        ALA  14  -2.152  11.032  -8.309
   85    HA   ALA  14           HA       ALA  14  -2.133   8.362  -7.289
   86   1HB   ALA  14          HB1       ALA  14  -3.308   7.857  -9.215
   87   2HB   ALA  14          HB2       ALA  14  -3.646   9.601  -9.103
   88   3HB   ALA  14          HB3       ALA  14  -2.385   9.008 -10.211
   89    H    GLU  15           H        GLU  15   0.386   9.149  -6.791
   90    HA   GLU  15           HA       GLU  15   1.856   7.717  -8.847
   91   1HB   GLU  15          HB1       GLU  15   2.178  10.223  -9.094
   92   2HB   GLU  15          HB2       GLU  15   2.887  10.246  -7.492
   93   1HG   GLU  15          HG1       GLU  15   4.655   8.658  -8.225
   94   2HG   GLU  15          HG2       GLU  15   3.928   8.558  -9.816
   95    H    ASP  16           H        ASP  16   1.462   8.816  -5.474
   96    HA   ASP  16           HA       ASP  16   3.535   6.942  -4.688
   97   1HB   ASP  16          HB1       ASP  16   3.366   9.426  -3.860
   98   2HB   ASP  16          HB2       ASP  16   2.045   8.860  -2.857
   99    H    LEU  17           H        LEU  17   0.063   7.707  -4.601
  100    HA   LEU  17           HA       LEU  17  -0.610   5.921  -2.504
  101   1HB   LEU  17          HB1       LEU  17  -1.869   7.906  -4.060
  102   2HB   LEU  17          HB2       LEU  17  -2.764   6.427  -4.347
  103    HG   LEU  17           HG       LEU  17  -3.740   7.718  -2.526
  104   1HD1  LEU  17          HD1       LEU  17  -4.175   5.949  -1.101
  105   2HD1  LEU  17          HD1       LEU  17  -3.605   5.122  -2.570
  106   3HD1  LEU  17          HD1       LEU  17  -2.508   5.329  -1.184
  107   1HD2  LEU  17          HD2       LEU  17  -1.642   7.235  -0.543
  108   2HD2  LEU  17          HD2       LEU  17  -1.147   8.352  -1.838
  109   3HD2  LEU  17          HD2       LEU  17  -2.603   8.697  -0.873
  110    H    ALA  18           H        ALA  18  -0.408   5.714  -6.089
  111    HA   ALA  18           HA       ALA  18  -1.619   3.225  -6.360
  112   1HB   ALA  18          HB1       ALA  18  -0.524   5.142  -8.012
  113   2HB   ALA  18          HB2       ALA  18   0.636   3.802  -8.179
  114   3HB   ALA  18          HB3       ALA  18  -1.087   3.539  -8.541
  115    H    ARG  19           H        ARG  19   1.823   4.167  -5.760
  116    HA   ARG  19           HA       ARG  19   2.862   1.641  -5.937
  117   1HB   ARG  19          HB1       ARG  19   3.735   3.964  -4.146
  118   2HB   ARG  19          HB2       ARG  19   4.730   2.566  -4.499
  119   1HG   ARG  19          HG1       ARG  19   3.593   3.950  -6.892
  120   2HG   ARG  19          HG2       ARG  19   4.755   4.886  -5.974
  121   1HD   ARG  19          HD1       ARG  19   5.852   2.252  -6.172
  122   2HD   ARG  19          HD2       ARG  19   5.233   2.637  -7.766
  123    HE   ARG  19           HE       ARG  19   6.737   4.853  -6.607
  124   1HH1  ARG  19          HH1       ARG  19   9.549   4.275  -8.591
  125   2HH1  ARG  19          HH1       ARG  19   8.754   5.394  -7.535
  126   1HH2  ARG  19          HH2       ARG  19   8.567   2.226  -9.062
  127   2HH2  ARG  19          HH2       ARG  19   7.038   1.816  -8.359
  128    H    TYR  20           H        TYR  20   0.862   3.139  -3.470
  129    HA   TYR  20           HA       TYR  20   1.616   1.181  -1.457
  130   1HB   TYR  20          HB1       TYR  20   1.210   3.362  -0.556
  131   2HB   TYR  20          HB2       TYR  20  -0.002   3.733  -1.766
  132    HD1  TYR  20           HD1      TYR  20  -2.323   3.345  -1.354
  133    HD2  TYR  20           HD2      TYR  20   0.610   1.858   1.382
  134    HE1  TYR  20           HE1      TYR  20  -4.154   2.808   0.326
  135    HE2  TYR  20           HE2      TYR  20  -1.230   1.326   3.054
  136    HH   TYR  20           HH       TYR  20  -4.517   1.340   2.180
  137    H    TYR  21           H        TYR  21  -0.583   1.496  -4.089
  138    HA   TYR  21           HA       TYR  21  -2.538  -0.266  -2.810
  139   1HB   TYR  21          HB1       TYR  21  -2.408   1.861  -4.862
  140   2HB   TYR  21          HB2       TYR  21  -3.160   0.429  -5.537
  141    HD1  TYR  21           HD1      TYR  21  -5.234  -0.515  -4.445
  142    HD2  TYR  21           HD2      TYR  21  -3.575   3.266  -3.323
  143    HE1  TYR  21           HE1      TYR  21  -7.435   0.135  -3.352
  144    HE2  TYR  21           HE2      TYR  21  -5.782   3.903  -2.233
  145    HH   TYR  21           HH       TYR  21  -7.701   2.761  -1.257
  146    H    SER  22           H        SER  22   0.005  -0.126  -5.284
  147    HA   SER  22           HA       SER  22  -0.848  -2.517  -6.545
  148   1HB   SER  22          HB1       SER  22   0.369  -0.975  -7.905
  149   2HB   SER  22          HB2       SER  22   1.639  -0.786  -6.713
  150    HG   SER  22           HG       SER  22   1.114  -3.339  -7.949
  151    H    ALA  23           H        ALA  23   1.426  -1.562  -3.954
  152    HA   ALA  23           HA       ALA  23   2.625  -4.171  -3.824
  153   1HB   ALA  23          HB1       ALA  23   2.784  -1.686  -2.073
  154   2HB   ALA  23          HB2       ALA  23   3.745  -3.161  -1.812
  155   3HB   ALA  23          HB3       ALA  23   3.958  -2.212  -3.303
  156    H    LEU  24           H        LEU  24  -0.147  -2.459  -2.473
  157    HA   LEU  24           HA       LEU  24  -0.436  -4.052  -0.164
  158   1HB   LEU  24          HB1       LEU  24  -1.777  -2.347   0.223
  159   2HB   LEU  24          HB2       LEU  24  -1.766  -1.867  -1.463
  160    HG   LEU  24           HG       LEU  24  -4.035  -2.210  -0.724
  161   1HD1  LEU  24          HD1       LEU  24  -2.849  -3.560  -2.935
  162   2HD1  LEU  24          HD1       LEU  24  -4.152  -4.587  -2.290
  163   3HD1  LEU  24          HD1       LEU  24  -4.497  -2.909  -2.774
  164   1HD2  LEU  24          HD2       LEU  24  -4.506  -3.694   0.855
  165   2HD2  LEU  24          HD2       LEU  24  -4.279  -4.992  -0.342
  166   3HD2  LEU  24          HD2       LEU  24  -2.912  -4.465   0.669
  167    H    ARG  25           H        ARG  25  -0.785  -4.714  -3.522
  168    HA   ARG  25           HA       ARG  25  -2.853  -6.638  -3.156
  169   1HB   ARG  25          HB1       ARG  25  -1.221  -5.577  -5.446
  170   2HB   ARG  25          HB2       ARG  25  -1.846  -7.203  -5.639
  171   1HG   ARG  25          HG1       ARG  25  -4.103  -5.999  -4.710
  172   2HG   ARG  25          HG2       ARG  25  -3.337  -4.602  -5.441
  173   1HD   ARG  25          HD1       ARG  25  -3.393  -5.533  -7.615
  174   2HD   ARG  25          HD2       ARG  25  -3.472  -7.180  -7.024
  175    HE   ARG  25           HE       ARG  25  -5.813  -5.767  -6.149
  176   1HH1  ARG  25          HH1       ARG  25  -7.866  -6.784  -8.781
  177   2HH1  ARG  25          HH1       ARG  25  -7.820  -6.107  -7.187
  178   1HH2  ARG  25          HH2       ARG  25  -5.890  -7.346  -9.861
  179   2HH2  ARG  25          HH2       ARG  25  -4.369  -7.089  -9.073
  180    H    HIS  26           H        HIS  26   0.619  -6.761  -4.275
  181    HA   HIS  26           HA       HIS  26   0.843  -9.513  -4.158
  182   1HB   HIS  26          HB1       HIS  26   2.430  -7.395  -4.920
  183   2HB   HIS  26          HB2       HIS  26   3.291  -8.007  -3.521
  184    HD1  HIS  26           HD1      HIS  26   5.044  -8.517  -5.648
  185    HD2  HIS  26           HD2      HIS  26   1.688 -10.994  -5.208
  186    HE1  HIS  26           HE1      HIS  26   5.549 -10.644  -6.962
  187    H    TYR  27           H        TYR  27   0.714  -7.106  -1.620
  188    HA   TYR  27           HA       TYR  27   2.007  -8.795   0.328
  189   1HB   TYR  27          HB1       TYR  27   2.254  -6.433   0.677
  190   2HB   TYR  27          HB2       TYR  27   0.642  -6.087   0.083
  191    HD1  TYR  27           HD1      TYR  27  -0.366  -4.846   1.795
  192    HD2  TYR  27           HD2      TYR  27   1.687  -8.470   2.774
  193    HE1  TYR  27           HE1      TYR  27  -1.208  -4.685   4.189
  194    HE2  TYR  27           HE2      TYR  27   0.838  -8.297   5.165
  195    HH   TYR  27           HH       TYR  27  -0.659  -5.442   6.342
  196    H    ILE  28           H        ILE  28  -1.333  -7.722  -0.534
  197    HA   ILE  28           HA       ILE  28  -2.435  -9.267   1.636
  198    HB   ILE  28           HB       ILE  28  -3.588  -7.527  -0.532
  199   1HG1  ILE  28          1HG1      ILE  28  -2.545  -6.328   1.291
  200   2HG1  ILE  28          2HG1      ILE  28  -4.285  -6.138   1.376
  201   1HG2  ILE  28          1HG2      ILE  28  -5.783  -7.888   0.735
  202   2HG2  ILE  28          2HG2      ILE  28  -5.242  -9.176  -0.367
  203   3HG2  ILE  28          3HG2      ILE  28  -5.020  -9.357   1.390
  204   1HD1  ILE  28          1HD1      ILE  28  -3.775  -8.464   2.890
  205   2HD1  ILE  28          2HD1      ILE  28  -2.463  -7.341   3.322
  206   3HD1  ILE  28          3HD1      ILE  28  -4.161  -6.846   3.525
  207    H    ASN  29           H        ASN  29  -1.164  -9.950  -1.417
  208    HA   ASN  29           HA       ASN  29  -3.003 -11.613  -2.544
  209   1HB   ASN  29          HB1       ASN  29  -0.941 -11.029  -3.717
  210   2HB   ASN  29          HB2       ASN  29   0.050 -11.746  -2.462
  211   1HD2  ASN  29          HD2       ASN  29  -1.588 -12.208  -5.381
  212   2HD2  ASN  29          HD2       ASN  29  -1.392 -13.919  -5.565
  213    H    LEU  30           H        LEU  30  -1.200 -11.911   0.426
  214    HA   LEU  30           HA       LEU  30  -1.262 -14.791   0.488
  215   1HB   LEU  30          HB1       LEU  30   0.463 -14.409   1.798
  216   2HB   LEU  30          HB2       LEU  30   0.133 -12.688   1.815
  217    HG   LEU  30           HG       LEU  30  -1.541 -13.154   3.684
  218   1HD1  LEU  30          HD1       LEU  30  -1.877 -15.198   4.513
  219   2HD1  LEU  30          HD1       LEU  30  -1.104 -15.797   3.026
  220   3HD1  LEU  30          HD1       LEU  30  -0.140 -15.586   4.507
  221   1HD2  LEU  30          HD2       LEU  30   1.400 -13.691   4.182
  222   2HD2  LEU  30          HD2       LEU  30   0.614 -12.097   4.082
  223   3HD2  LEU  30          HD2       LEU  30   0.205 -13.209   5.410
  224    H    ALA  31           H        ALA  31  -3.425 -12.179   1.099
  225    HA   ALA  31           HA       ALA  31  -5.215 -14.057   2.451
  226   1HB   ALA  31          HB1       ALA  31  -4.757 -12.888   4.358
  227   2HB   ALA  31          HB2       ALA  31  -4.140 -11.475   3.469
  228   3HB   ALA  31          HB3       ALA  31  -5.894 -11.713   3.656
  229   1HN   AIB  32          1HN       AIB  32  -6.901 -14.283   1.064
  230   1HB1  AIB  32          1HB1      AIB  32  -7.258 -14.031  -1.968
  231   2HB1  AIB  32          2HB1      AIB  32  -6.377 -12.502  -1.711
  232   3HB1  AIB  32          3HB1      AIB  32  -8.016 -12.468  -2.383
  233   1HB2  AIB  32          1HB2      AIB  32  -8.552 -11.364   1.226
  234   2HB2  AIB  32          2HB2      AIB  32  -9.457 -11.309  -0.295
  235   3HB2  AIB  32          3HB2      AIB  32  -7.763 -10.751  -0.253
  236    H    ARG  33           H        ARG  33  -7.876 -15.548   0.116
  237    HA   ARG  33           HA       ARG  33 -10.787 -15.622   0.121
  238   1HB   ARG  33          HB1       ARG  33  -9.177 -18.032  -0.738
  239   2HB   ARG  33          HB2       ARG  33 -10.795 -17.561  -1.221
  240   1HG   ARG  33          HG1       ARG  33  -8.270 -16.044  -2.031
  241   2HG   ARG  33          HG2       ARG  33  -9.036 -17.265  -3.029
  242   1HD   ARG  33          HD1       ARG  33 -10.417 -14.721  -2.041
  243   2HD   ARG  33          HD2       ARG  33  -9.729 -14.921  -3.640
  244    HE   ARG  33           HE       ARG  33 -12.214 -16.137  -2.634
  245   1HH1  ARG  33          HH1       ARG  33 -12.895 -17.629  -5.714
  246   2HH1  ARG  33          HH1       ARG  33 -13.526 -17.234  -4.150
  247   1HH2  ARG  33          HH2       ARG  33 -10.719 -17.044  -6.270
  248   2HH2  ARG  33          HH2       ARG  33  -9.726 -16.212  -5.121
  249    H    GLN  34           H        GLN  34  -7.675 -16.920   1.347
  250    HA   GLN  34           HA       GLN  34  -8.797 -18.844   3.023
  251   1HB   GLN  34          HB1       GLN  34  -6.333 -18.510   2.213
  252   2HB   GLN  34          HB2       GLN  34  -6.174 -17.422   3.577
  253   1HG   GLN  34          HG1       GLN  34  -7.051 -19.311   5.069
  254   2HG   GLN  34          HG2       GLN  34  -6.948 -20.373   3.678
  255   1HE2  GLN  34          1HE2      GLN  34  -5.450 -21.639   4.822
  256   2HE2  GLN  34          2HE2      GLN  34  -3.782 -21.192   4.967
  257    H    ARG  35           H        ARG  35  -8.158 -15.349   3.358
  258    HA   ARG  35           HA       ARG  35  -8.842 -15.485   6.150
  259   1HB   ARG  35          HB1       ARG  35  -7.276 -13.724   4.493
  260   2HB   ARG  35          HB2       ARG  35  -8.579 -12.766   5.167
  261   1HG   ARG  35          HG1       ARG  35  -6.907 -14.618   6.911
  262   2HG   ARG  35          HG2       ARG  35  -6.389 -12.982   6.560
  263   1HD   ARG  35          HD1       ARG  35  -9.105 -12.711   7.319
  264   2HD   ARG  35          HD2       ARG  35  -8.460 -13.908   8.425
  265    HE   ARG  35           HE       ARG  35  -6.687 -11.605   8.102
  266   1HH1  ARG  35          HH1       ARG  35  -7.504 -10.280  11.225
  267   2HH1  ARG  35          HH1       ARG  35  -6.403 -10.211   9.889
  268   1HH2  ARG  35          HH2       ARG  35  -9.267 -11.789  11.198
  269   2HH2  ARG  35          HH2       ARG  35  -9.482 -12.846   9.843
  270    H    TYR  36           H        TYR  36 -10.853 -16.168   4.062
  271    HA   TYR  36           HA       TYR  36 -12.834 -14.133   4.777
  272   1HB   TYR  36          HB1       TYR  36 -12.608 -13.516   2.523
  273   2HB   TYR  36          HB2       TYR  36 -11.715 -14.974   2.138
  274    HD1  TYR  36           HD1      TYR  36 -12.686 -16.381   0.580
  275    HD2  TYR  36           HD2      TYR  36 -15.230 -14.057   3.115
  276    HE1  TYR  36           HE1      TYR  36 -14.732 -17.316  -0.605
  277    HE2  TYR  36           HE2      TYR  36 -17.268 -14.999   1.922
  278    HH   TYR  36           HH       TYR  36 -16.987 -16.765  -1.001
  279   1HN   NH2  37          HN1       NH2 237 -12.268 -17.289   3.201
  280   2HN   NH2  37          HN2       NH2 237 -13.619 -18.111   3.909
  Start of MODEL    6
    1    H    TYR   1           H        TYR   1 -19.924  17.645 -16.956
    2    HA   TYR   1           HA       TYR   1 -17.700  16.627 -16.579
    3   1HB   TYR   1          HB1       TYR   1 -16.936  19.569 -16.189
    4   2HB   TYR   1          HB2       TYR   1 -15.846  18.209 -16.369
    5    HD1  TYR   1           HD1      TYR   1 -15.811  17.015 -18.677
    6    HD2  TYR   1           HD2      TYR   1 -17.493  20.897 -18.045
    7    HE1  TYR   1           HE1      TYR   1 -15.609  17.515 -21.162
    8    HE2  TYR   1           HE2      TYR   1 -17.287  21.384 -20.532
    9    HH   TYR   1           HH       TYR   1 -15.692  20.485 -22.414
   10    HA   PRO   2           HA       PRO   2 -18.723  17.118 -12.405
   11   1HB   PRO   2          HB1       PRO   2 -16.564  16.008 -11.151
   12   2HB   PRO   2          HB2       PRO   2 -17.851  15.057 -11.863
   13   1HG   PRO   2          HG1       PRO   2 -15.115  15.526 -12.878
   14   2HG   PRO   2          HG2       PRO   2 -16.253  14.272 -13.328
   15   1HD   PRO   2          HD1       PRO   2 -15.612  16.628 -14.833
   16   2HD   PRO   2          HD2       PRO   2 -16.832  15.433 -15.226
   17    H    SER   3           H        SER   3 -18.948  19.341 -12.184
   18    HA   SER   3           HA       SER   3 -18.399  21.327 -11.493
   19   1HB   SER   3          HB1       SER   3 -17.995  19.835  -9.391
   20   2HB   SER   3          HB2       SER   3 -16.287  20.088  -9.694
   21    HG   SER   3           HG       SER   3 -17.800  22.452  -9.764
   22    H    LYS   4           H        LYS   4 -16.358  22.920 -11.029
   23    HA   LYS   4           HA       LYS   4 -14.729  22.658 -13.385
   24   1HB   LYS   4          HB1       LYS   4 -14.430  24.868 -11.377
   25   2HB   LYS   4          HB2       LYS   4 -14.254  24.912 -13.120
   26   1HG   LYS   4          HG1       LYS   4 -16.354  25.834 -13.063
   27   2HG   LYS   4          HG2       LYS   4 -16.879  24.165 -12.955
   28   1HD   LYS   4          HD1       LYS   4 -17.730  24.518 -10.884
   29   2HD   LYS   4          HD2       LYS   4 -16.172  25.063 -10.296
   30   1HE   LYS   4          HE1       LYS   4 -16.748  27.277 -10.443
   31   2HE   LYS   4          HE2       LYS   4 -17.527  27.073 -11.999
   32   1HZ   LYS   4          HZ1       LYS   4 -19.041  27.629 -10.164
   33   2HZ   LYS   4          HZ2       LYS   4 -19.452  26.247 -10.933
   34   3HZ   LYS   4          HZ3       LYS   4 -18.726  26.184  -9.471
   35    HA   PRO   5           HA       PRO   5 -11.188  21.166 -11.425
   36   1HB   PRO   5          HB1       PRO   5  -9.169  22.248 -12.915
   37   2HB   PRO   5          HB2       PRO   5 -10.098  20.854 -13.429
   38   1HG   PRO   5          HG1       PRO   5 -10.262  23.646 -14.386
   39   2HG   PRO   5          HG2       PRO   5 -10.854  22.186 -15.154
   40   1HD   PRO   5          HD1       PRO   5 -12.416  24.144 -13.756
   41   2HD   PRO   5          HD2       PRO   5 -12.988  22.628 -14.423
   42    H    ASP   6           H        ASP   6 -10.473  24.539 -12.232
   43    HA   ASP   6           HA       ASP   6  -9.617  26.141 -11.049
   44   1HB   ASP   6          HB1       ASP   6 -10.613  24.788  -8.512
   45   2HB   ASP   6          HB2       ASP   6 -10.424  26.505  -8.805
   46    H    ASN   7           H        ASN   7  -8.052  26.634  -9.022
   47    HA   ASN   7           HA       ASN   7  -5.748  25.399  -9.310
   48   1HB   ASN   7          HB1       ASN   7  -7.039  26.611  -6.840
   49   2HB   ASN   7          HB2       ASN   7  -5.434  25.921  -6.710
   50   1HD2  ASN   7          HD2       ASN   7  -5.946  28.587  -6.255
   51   2HD2  ASN   7          HD2       ASN   7  -5.195  29.567  -7.470
   52    HA   PRO   8           HA       PRO   8  -6.924  21.382  -7.706
   53   1HB   PRO   8          HB1       PRO   8  -5.052  19.929  -9.068
   54   2HB   PRO   8          HB2       PRO   8  -6.640  20.292  -9.715
   55   1HG   PRO   8          HG1       PRO   8  -4.031  21.487 -10.426
   56   2HG   PRO   8          HG2       PRO   8  -5.534  21.517 -11.326
   57   1HD   PRO   8          HD1       PRO   8  -4.414  23.661  -9.785
   58   2HD   PRO   8          HD2       PRO   8  -5.971  23.650 -10.589
   59    H    GLY   9           H        GLY   9  -3.473  22.004  -8.194
   60   1HA   GLY   9          HA1       GLY   9  -2.638  22.451  -5.703
   61   2HA   GLY   9          HA2       GLY   9  -2.911  20.720  -5.646
   62    H    GLU  10           H        GLU  10  -2.189  19.926  -8.271
   63    HA   GLU  10           HA       GLU  10  -0.495  19.465  -9.553
   64   1HB   GLU  10          HB1       GLU  10   1.201  21.762  -8.583
   65   2HB   GLU  10          HB2       GLU  10   1.041  21.114 -10.203
   66   1HG   GLU  10          HG1       GLU  10  -1.536  21.945  -9.782
   67   2HG   GLU  10          HG2       GLU  10  -0.686  23.095  -8.770
   68    H    ASP  11           H        ASP  11  -0.472  17.730  -7.726
   69    HA   ASP  11           HA       ASP  11   2.213  17.771  -6.604
   70   1HB   ASP  11          HB1       ASP  11  -0.407  17.409  -5.251
   71   2HB   ASP  11          HB2       ASP  11   0.752  16.152  -4.868
   72    H    ALA  12           H        ALA  12  -0.758  15.810  -7.369
   73    HA   ALA  12           HA       ALA  12  -1.014  13.861  -8.394
   74   1HB   ALA  12          HB1       ALA  12   0.999  14.890  -9.785
   75   2HB   ALA  12          HB2       ALA  12   1.920  13.586  -8.998
   76   3HB   ALA  12          HB3       ALA  12   0.510  13.194 -10.011
   77    HA   PRO  13           HA       PRO  13   0.645  11.942  -4.617
   78   1HB   PRO  13          HB1       PRO  13  -1.714  11.587  -3.286
   79   2HB   PRO  13          HB2       PRO  13  -0.662  12.962  -3.020
   80   1HG   PRO  13          HG1       PRO  13  -3.221  12.845  -4.495
   81   2HG   PRO  13          HG2       PRO  13  -2.383  14.247  -3.861
   82   1HD   PRO  13          HD1       PRO  13  -2.479  13.400  -6.599
   83   2HD   PRO  13          HD2       PRO  13  -1.548  14.733  -5.947
   84    H    ALA  14           H        ALA  14  -1.267  11.177  -7.183
   85    HA   ALA  14           HA       ALA  14  -2.137   8.617  -6.443
   86   1HB   ALA  14          HB1       ALA  14  -1.424   9.692  -9.201
   87   2HB   ALA  14          HB2       ALA  14  -2.506   8.327  -8.835
   88   3HB   ALA  14          HB3       ALA  14  -2.970   9.981  -8.368
   89    H    GLU  15           H        GLU  15   1.012   9.905  -6.919
   90    HA   GLU  15           HA       GLU  15   2.137   7.514  -7.970
   91   1HB   GLU  15          HB1       GLU  15   3.104   9.753  -8.446
   92   2HB   GLU  15          HB2       GLU  15   3.456   9.977  -6.744
   93   1HG   GLU  15          HG1       GLU  15   5.207   8.426  -6.749
   94   2HG   GLU  15          HG2       GLU  15   4.512   7.477  -8.048
   95    H    ASP  16           H        ASP  16   1.212   8.724  -4.840
   96    HA   ASP  16           HA       ASP  16   3.106   7.081  -3.455
   97   1HB   ASP  16          HB1       ASP  16   0.683   8.527  -2.302
   98   2HB   ASP  16          HB2       ASP  16   2.108   7.999  -1.431
   99    H    LEU  17           H        LEU  17  -0.513   7.402  -3.786
  100    HA   LEU  17           HA       LEU  17  -1.182   5.114  -2.377
  101   1HB   LEU  17          HB1       LEU  17  -2.489   7.157  -3.708
  102   2HB   LEU  17          HB2       LEU  17  -2.948   5.731  -4.617
  103    HG   LEU  17           HG       LEU  17  -3.265   4.961  -1.949
  104   1HD1  LEU  17          HD1       LEU  17  -3.888   6.666  -0.662
  105   2HD1  LEU  17          HD1       LEU  17  -3.201   7.737  -1.907
  106   3HD1  LEU  17          HD1       LEU  17  -4.937   7.344  -1.931
  107   1HD2  LEU  17          HD2       LEU  17  -5.637   4.914  -2.482
  108   2HD2  LEU  17          HD2       LEU  17  -5.366   5.977  -3.884
  109   3HD2  LEU  17          HD2       LEU  17  -4.675   4.336  -3.864
  110    H    ALA  18           H        ALA  18   0.075   5.568  -5.658
  111    HA   ALA  18           HA       ALA  18  -0.730   3.203  -6.822
  112   1HB   ALA  18          HB1       ALA  18   1.130   5.339  -7.305
  113   2HB   ALA  18          HB2       ALA  18   1.950   3.792  -7.626
  114   3HB   ALA  18          HB3       ALA  18   0.433   4.188  -8.469
  115    H    ARG  19           H        ARG  19   2.344   3.881  -4.998
  116    HA   ARG  19           HA       ARG  19   3.259   1.303  -5.098
  117   1HB   ARG  19          HB1       ARG  19   3.688   3.308  -2.826
  118   2HB   ARG  19          HB2       ARG  19   4.738   1.962  -3.219
  119   1HG   ARG  19          HG1       ARG  19   4.230   3.697  -5.554
  120   2HG   ARG  19          HG2       ARG  19   4.954   4.575  -4.221
  121   1HD   ARG  19          HD1       ARG  19   6.722   2.736  -4.068
  122   2HD   ARG  19          HD2       ARG  19   6.047   2.038  -5.527
  123    HE   ARG  19           HE       ARG  19   6.519   4.768  -6.101
  124   1HH1  ARG  19          HH1       ARG  19   9.825   4.495  -7.186
  125   2HH1  ARG  19          HH1       ARG  19   8.397   5.476  -7.194
  126   1HH2  ARG  19          HH2       ARG  19   9.830   2.462  -6.065
  127   2HH2  ARG  19          HH2       ARG  19   8.407   1.926  -5.237
  128    H    TYR  20           H        TYR  20   0.691   2.758  -3.200
  129    HA   TYR  20           HA       TYR  20   0.676   0.500  -1.338
  130   1HB   TYR  20          HB1       TYR  20  -1.271   2.836  -1.369
  131   2HB   TYR  20          HB2       TYR  20  -0.579   2.027   0.023
  132    HD1  TYR  20           HD1      TYR  20   2.359   2.248  -1.138
  133    HD2  TYR  20           HD2      TYR  20  -0.802   5.056  -0.483
  134    HE1  TYR  20           HE1      TYR  20   4.062   4.121  -0.900
  135    HE2  TYR  20           HE2      TYR  20   0.911   6.919  -0.248
  136    HH   TYR  20           HH       TYR  20   3.733   6.682   0.519
  137    H    TYR  21           H        TYR  21  -0.233   0.722  -4.374
  138    HA   TYR  21           HA       TYR  21  -2.840  -0.539  -3.867
  139   1HB   TYR  21          HB1       TYR  21  -1.976   1.808  -5.477
  140   2HB   TYR  21          HB2       TYR  21  -2.764   0.612  -6.486
  141    HD1  TYR  21           HD1      TYR  21  -3.492   1.600  -2.945
  142    HD2  TYR  21           HD2      TYR  21  -4.866   1.496  -6.996
  143    HE1  TYR  21           HE1      TYR  21  -5.766   2.464  -2.204
  144    HE2  TYR  21           HE2      TYR  21  -7.134   2.360  -6.241
  145    HH   TYR  21           HH       TYR  21  -8.462   2.258  -4.058
  146    H    SER  22           H        SER  22   0.037  -0.169  -6.016
  147    HA   SER  22           HA       SER  22  -0.712  -2.487  -7.494
  148   1HB   SER  22          HB1       SER  22   0.894  -0.268  -7.985
  149   2HB   SER  22          HB2       SER  22   2.080  -1.536  -7.749
  150    HG   SER  22           HG       SER  22  -0.189  -1.802  -9.527
  151    H    ALA  23           H        ALA  23   1.226  -1.666  -4.662
  152    HA   ALA  23           HA       ALA  23   2.469  -4.317  -4.703
  153   1HB   ALA  23          HB1       ALA  23   3.741  -2.060  -4.370
  154   2HB   ALA  23          HB2       ALA  23   3.056  -2.104  -2.728
  155   3HB   ALA  23          HB3       ALA  23   4.114  -3.422  -3.287
  156    H    LEU  24           H        LEU  24  -0.220  -2.570  -3.475
  157    HA   LEU  24           HA       LEU  24  -0.348  -3.860  -0.934
  158   1HB   LEU  24          HB1       LEU  24  -1.704  -2.165  -0.591
  159   2HB   LEU  24          HB2       LEU  24  -1.637  -1.729  -2.287
  160    HG   LEU  24           HG       LEU  24  -3.931  -1.950  -1.642
  161   1HD1  LEU  24          HD1       LEU  24  -4.429  -2.831  -3.615
  162   2HD1  LEU  24          HD1       LEU  24  -2.757  -3.429  -3.736
  163   3HD1  LEU  24          HD1       LEU  24  -4.024  -4.465  -3.037
  164   1HD2  LEU  24          HD2       LEU  24  -4.559  -3.305  -0.006
  165   2HD2  LEU  24          HD2       LEU  24  -4.273  -4.705  -1.067
  166   3HD2  LEU  24          HD2       LEU  24  -2.967  -4.102  -0.018
  167    H    ARG  25           H        ARG  25  -0.896  -4.829  -4.187
  168    HA   ARG  25           HA       ARG  25  -2.993  -6.640  -3.552
  169   1HB   ARG  25          HB1       ARG  25  -2.627  -5.545  -5.834
  170   2HB   ARG  25          HB2       ARG  25  -1.215  -6.561  -6.041
  171   1HG   ARG  25          HG1       ARG  25  -2.505  -8.300  -6.712
  172   2HG   ARG  25          HG2       ARG  25  -3.424  -8.242  -5.222
  173   1HD   ARG  25          HD1       ARG  25  -5.202  -7.570  -6.476
  174   2HD   ARG  25          HD2       ARG  25  -4.393  -6.024  -6.641
  175    HE   ARG  25           HE       ARG  25  -3.232  -7.665  -8.600
  176   1HH1  ARG  25          HH1       ARG  25  -5.560  -7.240 -11.165
  177   2HH1  ARG  25          HH1       ARG  25  -3.942  -7.715 -10.772
  178   1HH2  ARG  25          HH2       ARG  25  -7.008  -6.552  -9.486
  179   2HH2  ARG  25          HH2       ARG  25  -6.470  -6.514  -7.840
  180    H    HIS  26           H        HIS  26   0.486  -6.927  -4.602
  181    HA   HIS  26           HA       HIS  26   0.610  -9.689  -4.241
  182   1HB   HIS  26          HB1       HIS  26   2.208  -7.807  -5.361
  183   2HB   HIS  26          HB2       HIS  26   3.085  -8.090  -3.870
  184    HD1  HIS  26           HD1      HIS  26   4.959  -9.655  -4.371
  185    HD2  HIS  26           HD2      HIS  26   1.427 -10.749  -6.353
  186    HE1  HIS  26           HE1      HIS  26   5.476 -11.826  -5.607
  187    H    TYR  27           H        TYR  27   0.740  -6.971  -2.004
  188    HA   TYR  27           HA       TYR  27   2.005  -8.474   0.090
  189   1HB   TYR  27          HB1       TYR  27   2.325  -6.107   0.191
  190   2HB   TYR  27          HB2       TYR  27   0.728  -5.774  -0.449
  191    HD1  TYR  27           HD1      TYR  27   1.714  -7.835   2.521
  192    HD2  TYR  27           HD2      TYR  27  -0.268  -4.323   1.091
  193    HE1  TYR  27           HE1      TYR  27   0.869  -7.346   4.869
  194    HE2  TYR  27           HE2      TYR  27  -1.105  -3.847   3.444
  195    HH   TYR  27           HH       TYR  27  -0.040  -5.811   6.168
  196    H    ILE  28           H        ILE  28  -1.330  -7.531  -0.876
  197    HA   ILE  28           HA       ILE  28  -2.404  -8.730   1.526
  198    HB   ILE  28           HB       ILE  28  -3.585  -7.268  -0.824
  199   1HG1  ILE  28          1HG1      ILE  28  -2.480  -5.862   0.807
  200   2HG1  ILE  28          2HG1      ILE  28  -4.214  -5.628   0.897
  201   1HG2  ILE  28          1HG2      ILE  28  -5.177  -8.995  -0.303
  202   2HG2  ILE  28          2HG2      ILE  28  -5.054  -8.647   1.438
  203   3HG2  ILE  28          3HG2      ILE  28  -5.775  -7.446   0.340
  204   1HD1  ILE  28          1HD1      ILE  28  -3.709  -7.746   2.695
  205   2HD1  ILE  28          2HD1      ILE  28  -2.374  -6.597   2.952
  206   3HD1  ILE  28          3HD1      ILE  28  -4.061  -6.053   3.118
  207    H    ASN  29           H        ASN  29  -1.157  -9.862  -1.371
  208    HA   ASN  29           HA       ASN  29  -3.067 -11.623  -2.249
  209   1HB   ASN  29          HB1       ASN  29  -1.052 -11.224  -3.561
  210   2HB   ASN  29          HB2       ASN  29  -0.014 -11.749  -2.250
  211   1HD2  ASN  29          HD2       ASN  29   0.972 -13.498  -2.943
  212   2HD2  ASN  29          HD2       ASN  29   0.230 -14.916  -3.606
  213    H    LEU  30           H        LEU  30  -1.013 -11.596   0.612
  214    HA   LEU  30           HA       LEU  30  -1.340 -14.441   1.075
  215   1HB   LEU  30          HB1       LEU  30   0.696 -14.060   1.865
  216   2HB   LEU  30          HB2       LEU  30   0.448 -12.327   1.954
  217    HG   LEU  30           HG       LEU  30  -0.777 -12.676   4.122
  218   1HD1  LEU  30          HD1       LEU  30   0.357 -15.206   4.829
  219   2HD1  LEU  30          HD1       LEU  30  -1.350 -14.700   4.817
  220   3HD1  LEU  30          HD1       LEU  30  -0.619 -15.402   3.353
  221   1HD2  LEU  30          HD2       LEU  30   1.647 -13.695   5.086
  222   2HD2  LEU  30          HD2       LEU  30   2.059 -12.844   3.578
  223   3HD2  LEU  30          HD2       LEU  30   1.194 -11.986   4.876
  224    H    ALA  31           H        ALA  31  -2.976 -11.454   1.671
  225    HA   ALA  31           HA       ALA  31  -4.328 -12.552   4.015
  226   1HB   ALA  31          HB1       ALA  31  -3.662 -10.326   4.394
  227   2HB   ALA  31          HB2       ALA  31  -4.090  -9.817   2.743
  228   3HB   ALA  31          HB3       ALA  31  -5.372 -10.171   3.926
  229   1HN   AIB  32          1HN       AIB  32  -4.743 -13.888   1.508
  230   1HB1  AIB  32          1HB1      AIB  32  -6.359 -15.814  -0.023
  231   2HB1  AIB  32          2HB1      AIB  32  -5.191 -14.603  -0.615
  232   3HB1  AIB  32          3HB1      AIB  32  -6.825 -14.656  -1.301
  233   1HB2  AIB  32          1HB2      AIB  32  -7.904 -12.787  -0.842
  234   2HB2  AIB  32          2HB2      AIB  32  -6.782 -11.718   0.017
  235   3HB2  AIB  32          3HB2      AIB  32  -8.280 -12.260   0.822
  236    H    ARG  33           H        ARG  33  -6.207 -15.608   2.603
  237    HA   ARG  33           HA       ARG  33  -9.052 -15.848   3.176
  238   1HB   ARG  33          HB1       ARG  33  -7.112 -18.066   3.853
  239   2HB   ARG  33          HB2       ARG  33  -8.817 -18.179   3.466
  240   1HG   ARG  33          HG1       ARG  33  -6.858 -17.219   1.359
  241   2HG   ARG  33          HG2       ARG  33  -7.015 -18.935   1.681
  242   1HD   ARG  33          HD1       ARG  33  -8.611 -18.626  -0.020
  243   2HD   ARG  33          HD2       ARG  33  -9.607 -18.512   1.417
  244    HE   ARG  33           HE       ARG  33  -9.817 -16.160   1.094
  245   1HH1  ARG  33          HH1       ARG  33  -8.889 -14.333  -1.731
  246   2HH1  ARG  33          HH1       ARG  33  -9.818 -14.326  -0.269
  247   1HH2  ARG  33          HH2       ARG  33  -7.644 -16.205  -2.306
  248   2HH2  ARG  33          HH2       ARG  33  -7.643 -17.596  -1.273
  249    H    GLN  34           H        GLN  34  -5.687 -15.749   4.424
  250    HA   GLN  34           HA       GLN  34  -6.329 -16.136   7.098
  251   1HB   GLN  34          HB1       GLN  34  -4.011 -15.980   5.690
  252   2HB   GLN  34          HB2       GLN  34  -4.006 -14.376   6.396
  253   1HG   GLN  34          HG1       GLN  34  -3.054 -15.411   8.202
  254   2HG   GLN  34          HG2       GLN  34  -4.699 -15.869   8.597
  255   1HE2  GLN  34          1HE2      GLN  34  -5.167 -17.927   8.801
  256   2HE2  GLN  34          2HE2      GLN  34  -4.220 -19.270   8.254
  257    H    ARG  35           H        ARG  35  -7.102 -13.568   4.987
  258    HA   ARG  35           HA       ARG  35  -7.704 -11.927   7.297
  259   1HB   ARG  35          HB1       ARG  35  -5.679 -11.287   5.439
  260   2HB   ARG  35          HB2       ARG  35  -7.044 -10.327   4.904
  261   1HG   ARG  35          HG1       ARG  35  -6.896  -8.921   6.693
  262   2HG   ARG  35          HG2       ARG  35  -6.759 -10.247   7.830
  263   1HD   ARG  35          HD1       ARG  35  -4.323 -10.504   7.161
  264   2HD   ARG  35          HD2       ARG  35  -4.489  -9.086   6.144
  265    HE   ARG  35           HE       ARG  35  -4.330  -7.759   8.054
  266   1HH1  ARG  35          HH1       ARG  35  -4.693  -8.522  11.440
  267   2HH1  ARG  35          HH1       ARG  35  -4.263  -7.299  10.291
  268   1HH2  ARG  35          HH2       ARG  35  -5.337 -10.628  10.706
  269   2HH2  ARG  35          HH2       ARG  35  -5.387 -10.977   9.010
  270    H    TYR  36           H        TYR  36  -9.035 -13.805   5.132
  271    HA   TYR  36           HA       TYR  36 -10.952 -13.910   4.025
  272   1HB   TYR  36          HB1       TYR  36 -12.299 -13.127   5.782
  273   2HB   TYR  36          HB2       TYR  36 -11.210 -11.796   6.120
  274    HD1  TYR  36           HD1      TYR  36 -14.177 -12.861   4.243
  275    HD2  TYR  36           HD2      TYR  36 -11.490  -9.622   5.009
  276    HE1  TYR  36           HE1      TYR  36 -15.824 -11.236   3.190
  277    HE2  TYR  36           HE2      TYR  36 -13.146  -8.008   3.953
  278    HH   TYR  36           HH       TYR  36 -14.936  -7.967   2.496
  279   1HN   NH2  37          HN1       NH2 237 -11.991 -13.201   2.171
  280   2HN   NH2  37          HN2       NH2 237 -11.445 -11.845   1.241
  Start of MODEL    7
    1    H    TYR   1           H        TYR   1  -2.887  28.046 -23.620
    2    HA   TYR   1           HA       TYR   1  -2.812  25.594 -22.578
    3   1HB   TYR   1          HB1       TYR   1  -0.529  25.078 -22.765
    4   2HB   TYR   1          HB2       TYR   1  -0.098  26.753 -23.042
    5    HD1  TYR   1           HD1      TYR   1  -1.416  24.675 -20.196
    6    HD2  TYR   1           HD2      TYR   1   1.321  27.702 -21.480
    7    HE1  TYR   1           HE1      TYR   1  -0.468  24.826 -17.842
    8    HE2  TYR   1           HE2      TYR   1   2.260  27.843 -19.122
    9    HH   TYR   1           HH       TYR   1   2.163  25.743 -17.018
   10    HA   PRO   2           HA       PRO   2  -4.079  28.640 -19.629
   11   1HB   PRO   2          HB1       PRO   2  -6.139  27.196 -18.564
   12   2HB   PRO   2          HB2       PRO   2  -6.327  28.258 -19.944
   13   1HG   PRO   2          HG1       PRO   2  -6.221  25.305 -19.880
   14   2HG   PRO   2          HG2       PRO   2  -6.822  26.354 -21.148
   15   1HD   PRO   2          HD1       PRO   2  -4.315  24.960 -21.118
   16   2HD   PRO   2          HD2       PRO   2  -4.866  26.100 -22.330
   17    H    SER   3           H        SER   3  -4.839  28.303 -17.121
   18    HA   SER   3           HA       SER   3  -4.130  27.782 -15.138
   19   1HB   SER   3          HB1       SER   3  -4.629  25.436 -15.804
   20   2HB   SER   3          HB2       SER   3  -3.003  25.259 -16.434
   21    HG   SER   3           HG       SER   3  -3.309  24.405 -14.232
   22    H    LYS   4           H        LYS   4  -2.199  27.898 -13.738
   23    HA   LYS   4           HA       LYS   4   0.070  28.947 -15.224
   24   1HB   LYS   4          HB1       LYS   4   0.192  30.422 -13.567
   25   2HB   LYS   4          HB2       LYS   4  -1.271  29.734 -12.892
   26   1HG   LYS   4          HG1       LYS   4   0.037  28.131 -11.554
   27   2HG   LYS   4          HG2       LYS   4   1.526  28.652 -12.316
   28   1HD   LYS   4          HD1       LYS   4   1.740  30.150 -10.621
   29   2HD   LYS   4          HD2       LYS   4   0.440  31.055 -11.371
   30   1HE   LYS   4          HE1       LYS   4  -0.877  30.649  -9.572
   31   2HE   LYS   4          HE2       LYS   4  -0.803  28.930  -9.907
   32   1HZ   LYS   4          HZ1       LYS   4   0.599  30.437  -7.946
   33   2HZ   LYS   4          HZ2       LYS   4   0.274  28.838  -7.990
   34   3HZ   LYS   4          HZ3       LYS   4   1.577  29.428  -8.777
   35    HA   PRO   5           HA       PRO   5   2.537  25.497 -14.429
   36   1HB   PRO   5          HB1       PRO   5   5.047  26.576 -14.375
   37   2HB   PRO   5          HB2       PRO   5   4.181  26.238 -15.861
   38   1HG   PRO   5          HG1       PRO   5   4.673  28.843 -14.554
   39   2HG   PRO   5          HG2       PRO   5   4.199  28.518 -16.209
   40   1HD   PRO   5          HD1       PRO   5   2.507  29.459 -14.093
   41   2HD   PRO   5          HD2       PRO   5   2.011  29.023 -15.717
   42    H    ASP   6           H        ASP   6   3.480  28.212 -12.384
   43    HA   ASP   6           HA       ASP   6   3.633  28.304 -10.203
   44   1HB   ASP   6          HB1       ASP   6   3.214  25.306  -9.924
   45   2HB   ASP   6          HB2       ASP   6   2.892  26.551  -8.733
   46    H    ASN   7           H        ASN   7   5.746  28.579  -9.473
   47    HA   ASN   7           HA       ASN   7   7.867  27.212 -10.497
   48   1HB   ASN   7          HB1       ASN   7   7.396  29.242  -8.501
   49   2HB   ASN   7          HB2       ASN   7   8.487  28.070  -7.788
   50   1HD2  ASN   7          HD2       ASN   7   9.114  30.740  -8.452
   51   2HD2  ASN   7          HD2       ASN   7  10.356  30.751  -9.659
   52    HA   PRO   8           HA       PRO   8   7.632  24.561  -6.525
   53   1HB   PRO   8          HB1       PRO   8   5.453  24.763  -4.887
   54   2HB   PRO   8          HB2       PRO   8   6.946  25.636  -4.607
   55   1HG   PRO   8          HG1       PRO   8   4.371  26.652  -5.644
   56   2HG   PRO   8          HG2       PRO   8   5.713  27.552  -4.965
   57   1HD   PRO   8          HD1       PRO   8   5.035  27.316  -7.742
   58   2HD   PRO   8          HD2       PRO   8   6.441  28.118  -7.071
   59    H    GLY   9           H        GLY   9   6.892  22.404  -6.105
   60   1HA   GLY   9          HA1       GLY   9   4.758  21.079  -6.482
   61   2HA   GLY   9          HA2       GLY   9   4.871  21.669  -8.128
   62    H    GLU  10           H        GLU  10   7.245  20.351  -5.698
   63    HA   GLU  10           HA       GLU  10   8.379  18.797  -7.859
   64   1HB   GLU  10          HB1       GLU  10   9.536  18.835  -5.076
   65   2HB   GLU  10          HB2       GLU  10  10.364  18.715  -6.616
   66   1HG   GLU  10          HG1       GLU  10   9.176  21.191  -6.873
   67   2HG   GLU  10          HG2       GLU  10   9.440  21.141  -5.142
   68    H    ASP  11           H        ASP  11   7.318  18.364  -4.405
   69    HA   ASP  11           HA       ASP  11   7.521  15.634  -4.388
   70   1HB   ASP  11          HB1       ASP  11   6.680  17.634  -2.633
   71   2HB   ASP  11          HB2       ASP  11   5.203  16.727  -2.888
   72    H    ALA  12           H        ALA  12   5.554  14.057  -4.249
   73    HA   ALA  12           HA       ALA  12   3.108  14.806  -5.449
   74   1HB   ALA  12          HB1       ALA  12   3.809  12.979  -7.392
   75   2HB   ALA  12          HB2       ALA  12   3.798  14.746  -7.607
   76   3HB   ALA  12          HB3       ALA  12   5.314  13.908  -7.197
   77    HA   PRO  13           HA       PRO  13   3.213  11.050  -2.940
   78   1HB   PRO  13          HB1       PRO  13   1.362  11.814  -1.080
   79   2HB   PRO  13          HB2       PRO  13   3.088  12.017  -0.854
   80   1HG   PRO  13          HG1       PRO  13   1.052  14.059  -1.506
   81   2HG   PRO  13          HG2       PRO  13   2.668  14.285  -0.867
   82   1HD   PRO  13          HD1       PRO  13   1.815  14.719  -3.571
   83   2HD   PRO  13          HD2       PRO  13   3.452  14.833  -2.958
   84    H    ALA  14           H        ALA  14   1.170  12.572  -4.987
   85    HA   ALA  14           HA       ALA  14  -1.132  10.948  -4.547
   86   1HB   ALA  14          HB1       ALA  14  -1.687  12.941  -5.569
   87   2HB   ALA  14          HB2       ALA  14  -0.191  12.991  -6.532
   88   3HB   ALA  14          HB3       ALA  14  -1.521  11.910  -7.010
   89    H    GLU  15           H        GLU  15   1.884  10.741  -6.423
   90    HA   GLU  15           HA       GLU  15   0.887   8.570  -7.986
   91   1HB   GLU  15          HB1       GLU  15   2.599  10.295  -8.770
   92   2HB   GLU  15          HB2       GLU  15   3.765   9.533  -7.706
   93   1HG   GLU  15          HG1       GLU  15   2.229   7.815  -9.670
   94   2HG   GLU  15          HG2       GLU  15   3.567   8.784 -10.255
   95    H    ASP  16           H        ASP  16   2.110   8.978  -4.815
   96    HA   ASP  16           HA       ASP  16   3.535   6.535  -4.684
   97   1HB   ASP  16          HB1       ASP  16   3.941   8.518  -3.181
   98   2HB   ASP  16          HB2       ASP  16   2.364   8.270  -2.458
   99    H    LEU  17           H        LEU  17   0.246   7.784  -3.904
  100    HA   LEU  17           HA       LEU  17  -0.782   5.802  -2.374
  101   1HB   LEU  17          HB1       LEU  17  -1.739   8.006  -3.608
  102   2HB   LEU  17          HB2       LEU  17  -2.510   6.765  -4.575
  103    HG   LEU  17           HG       LEU  17  -3.922   7.577  -2.719
  104   1HD1  LEU  17          HD1       LEU  17  -4.589   5.358  -1.851
  105   2HD1  LEU  17          HD1       LEU  17  -4.340   5.372  -3.614
  106   3HD1  LEU  17          HD1       LEU  17  -3.104   4.665  -2.547
  107   1HD2  LEU  17          HD2       LEU  17  -1.990   7.971  -1.144
  108   2HD2  LEU  17          HD2       LEU  17  -3.423   7.192  -0.432
  109   3HD2  LEU  17          HD2       LEU  17  -1.988   6.219  -0.832
  110    H    ALA  18           H        ALA  18  -0.329   5.801  -5.954
  111    HA   ALA  18           HA       ALA  18  -1.588   3.341  -6.393
  112   1HB   ALA  18          HB1       ALA  18   0.403   3.636  -8.341
  113   2HB   ALA  18          HB2       ALA  18  -1.271   4.231  -8.439
  114   3HB   ALA  18          HB3       ALA  18   0.022   5.302  -7.847
  115    H    ARG  19           H        ARG  19   1.861   4.240  -5.751
  116    HA   ARG  19           HA       ARG  19   2.884   1.720  -6.056
  117   1HB   ARG  19          HB1       ARG  19   3.815   3.869  -4.085
  118   2HB   ARG  19          HB2       ARG  19   4.797   2.552  -4.693
  119   1HG   ARG  19          HG1       ARG  19   3.502   4.202  -6.811
  120   2HG   ARG  19          HG2       ARG  19   4.669   5.067  -5.831
  121   1HD   ARG  19          HD1       ARG  19   6.461   3.853  -6.641
  122   2HD   ARG  19          HD2       ARG  19   5.554   2.356  -6.716
  123    HE   ARG  19           HE       ARG  19   4.554   4.214  -8.687
  124   1HH1  ARG  19          HH1       ARG  19   6.360   2.857 -11.347
  125   2HH1  ARG  19          HH1       ARG  19   5.041   3.885 -10.895
  126   1HH2  ARG  19          HH2       ARG  19   7.633   1.815  -9.710
  127   2HH2  ARG  19          HH2       ARG  19   7.264   2.065  -8.036
  128    H    TYR  20           H        TYR  20   0.945   3.135  -3.479
  129    HA   TYR  20           HA       TYR  20   1.691   1.084  -1.568
  130   1HB   TYR  20          HB1       TYR  20   1.267   3.223  -0.581
  131   2HB   TYR  20          HB2       TYR  20   0.048   3.630  -1.772
  132    HD1  TYR  20           HD1      TYR  20  -2.154   3.718  -1.053
  133    HD2  TYR  20           HD2      TYR  20   0.573   1.121   0.978
  134    HE1  TYR  20           HE1      TYR  20  -3.975   3.093   0.608
  135    HE2  TYR  20           HE2      TYR  20  -1.258   0.505   2.632
  136    HH   TYR  20           HH       TYR  20  -3.647   0.459   2.734
  137    H    TYR  21           H        TYR  21  -0.546   1.523  -4.165
  138    HA   TYR  21           HA       TYR  21  -2.456  -0.341  -2.964
  139   1HB   TYR  21          HB1       TYR  21  -2.389   1.909  -4.884
  140   2HB   TYR  21          HB2       TYR  21  -3.133   0.510  -5.634
  141    HD1  TYR  21           HD1      TYR  21  -3.314   2.564  -2.503
  142    HD2  TYR  21           HD2      TYR  21  -5.411   0.109  -5.310
  143    HE1  TYR  21           HE1      TYR  21  -5.511   3.103  -1.344
  144    HE2  TYR  21           HE2      TYR  21  -7.601   0.657  -4.141
  145    HH   TYR  21           HH       TYR  21  -8.512   1.533  -2.348
  146    H    SER  22           H        SER  22  -0.052   0.037  -5.581
  147    HA   SER  22           HA       SER  22  -0.852  -2.209  -7.021
  148   1HB   SER  22          HB1       SER  22   1.881  -0.866  -6.826
  149   2HB   SER  22          HB2       SER  22   1.437  -2.043  -8.047
  150    HG   SER  22           HG       SER  22   0.905   0.660  -7.959
  151    H    ALA  23           H        ALA  23   1.416  -1.676  -4.283
  152    HA   ALA  23           HA       ALA  23   2.354  -4.390  -4.348
  153   1HB   ALA  23          HB1       ALA  23   2.689  -2.458  -2.049
  154   2HB   ALA  23          HB2       ALA  23   3.813  -3.702  -2.647
  155   3HB   ALA  23          HB3       ALA  23   3.567  -2.203  -3.575
  156    H    LEU  24           H        LEU  24  -0.443  -2.722  -3.212
  157    HA   LEU  24           HA       LEU  24  -0.917  -4.247  -0.880
  158   1HB   LEU  24          HB1       LEU  24  -2.354  -2.283  -2.551
  159   2HB   LEU  24          HB2       LEU  24  -3.373  -3.407  -1.674
  160    HG   LEU  24           HG       LEU  24  -2.487  -1.050  -0.686
  161   1HD1  LEU  24          HD1       LEU  24  -4.202  -2.773   0.175
  162   2HD1  LEU  24          HD1       LEU  24  -2.865  -3.385   1.179
  163   3HD1  LEU  24          HD1       LEU  24  -3.409  -1.699   1.353
  164   1HD2  LEU  24          HD2       LEU  24  -0.129  -2.288  -0.729
  165   2HD2  LEU  24          HD2       LEU  24  -0.579  -1.134   0.549
  166   3HD2  LEU  24          HD2       LEU  24  -0.706  -2.884   0.846
  167    H    ARG  25           H        ARG  25  -0.825  -5.080  -4.180
  168    HA   ARG  25           HA       ARG  25  -2.885  -7.073  -3.882
  169   1HB   ARG  25          HB1       ARG  25  -2.573  -5.666  -6.011
  170   2HB   ARG  25          HB2       ARG  25  -1.084  -6.545  -6.297
  171   1HG   ARG  25          HG1       ARG  25  -2.387  -8.041  -7.422
  172   2HG   ARG  25          HG2       ARG  25  -2.854  -8.625  -5.837
  173   1HD   ARG  25          HD1       ARG  25  -4.785  -7.019  -5.823
  174   2HD   ARG  25          HD2       ARG  25  -4.324  -6.457  -7.417
  175    HE   ARG  25           HE       ARG  25  -5.626  -9.009  -6.768
  176   1HH1  ARG  25          HH1       ARG  25  -5.729  -9.993 -10.115
  177   2HH1  ARG  25          HH1       ARG  25  -6.303 -10.319  -8.513
  178   1HH2  ARG  25          HH2       ARG  25  -4.271  -8.225 -10.487
  179   2HH2  ARG  25          HH2       ARG  25  -3.758  -7.233  -9.164
  180    H    HIS  26           H        HIS  26   0.593  -6.649  -3.717
  181    HA   HIS  26           HA       HIS  26   1.060  -9.495  -4.055
  182   1HB   HIS  26          HB1       HIS  26   2.494  -7.278  -4.814
  183   2HB   HIS  26          HB2       HIS  26   3.325  -7.747  -3.344
  184    HD1  HIS  26           HD1      HIS  26   5.214  -9.312  -3.761
  185    HD2  HIS  26           HD2      HIS  26   2.130  -9.804  -6.561
  186    HE1  HIS  26           HE1      HIS  26   5.997 -11.126  -5.375
  187    H    TYR  27           H        TYR  27   0.672  -7.003  -1.603
  188    HA   TYR  27           HA       TYR  27   1.913  -8.624   0.451
  189   1HB   TYR  27          HB1       TYR  27   2.156  -6.187   0.551
  190   2HB   TYR  27          HB2       TYR  27   0.464  -5.936   0.173
  191    HD1  TYR  27           HD1      TYR  27   2.748  -7.208   2.835
  192    HD2  TYR  27           HD2      TYR  27  -1.135  -5.678   1.894
  193    HE1  TYR  27           HE1      TYR  27   2.218  -7.010   5.314
  194    HE2  TYR  27           HE2      TYR  27  -1.652  -5.485   4.376
  195    HH   TYR  27           HH       TYR  27  -0.950  -5.802   6.388
  196    H    ILE  28           H        ILE  28  -1.303  -7.891  -0.869
  197    HA   ILE  28           HA       ILE  28  -2.641  -8.986   1.435
  198    HB   ILE  28           HB       ILE  28  -3.580  -7.954  -1.238
  199   1HG1  ILE  28          1HG1      ILE  28  -2.680  -6.333   0.466
  200   2HG1  ILE  28          2HG1      ILE  28  -4.325  -6.041  -0.061
  201   1HG2  ILE  28          1HG2      ILE  28  -5.240  -9.019   1.063
  202   2HG2  ILE  28          2HG2      ILE  28  -5.871  -8.146  -0.354
  203   3HG2  ILE  28          3HG2      ILE  28  -5.088  -9.731  -0.561
  204   1HD1  ILE  28          1HD1      ILE  28  -4.105  -7.844   2.295
  205   2HD1  ILE  28          2HD1      ILE  28  -3.547  -6.176   2.573
  206   3HD1  ILE  28          3HD1      ILE  28  -5.208  -6.476   2.007
  207    H    ASN  29           H        ASN  29  -0.914 -10.240  -1.191
  208    HA   ASN  29           HA       ASN  29  -2.473 -12.258  -2.125
  209   1HB   ASN  29          HB1       ASN  29  -0.315 -11.874  -3.139
  210   2HB   ASN  29          HB2       ASN  29   0.526 -12.052  -1.612
  211   1HD2  ASN  29          HD2       ASN  29  -0.905 -13.626  -4.324
  212   2HD2  ASN  29          HD2       ASN  29  -0.427 -15.254  -3.973
  213    H    LEU  30           H        LEU  30  -1.116 -11.740   1.053
  214    HA   LEU  30           HA       LEU  30  -0.981 -14.489   1.816
  215   1HB   LEU  30          HB1       LEU  30   0.408 -13.461   3.200
  216   2HB   LEU  30          HB2       LEU  30  -0.317 -11.891   2.920
  217    HG   LEU  30           HG       LEU  30  -2.133 -12.521   4.553
  218   1HD1  LEU  30          HD1       LEU  30  -0.529 -14.554   5.895
  219   2HD1  LEU  30          HD1       LEU  30  -2.268 -14.525   5.517
  220   3HD1  LEU  30          HD1       LEU  30  -1.100 -15.077   4.293
  221   1HD2  LEU  30          HD2       LEU  30   0.646 -11.826   5.081
  222   2HD2  LEU  30          HD2       LEU  30  -0.856 -11.150   5.755
  223   3HD2  LEU  30          HD2       LEU  30  -0.134 -12.608   6.476
  224    H    ALA  31           H        ALA  31  -3.486 -12.117   1.415
  225    HA   ALA  31           HA       ALA  31  -5.412 -14.023   2.389
  226   1HB   ALA  31          HB1       ALA  31  -5.060 -11.294   3.691
  227   2HB   ALA  31          HB2       ALA  31  -6.477 -12.347   3.916
  228   3HB   ALA  31          HB3       ALA  31  -4.873 -12.883   4.471
  229   1HN   AIB  32          1HN       AIB  32  -6.855 -14.066   0.739
  230   1HB1  AIB  32          1HB1      AIB  32  -7.288 -13.024  -2.693
  231   2HB1  AIB  32          2HB1      AIB  32  -5.783 -12.917  -1.743
  232   3HB1  AIB  32          3HB1      AIB  32  -6.638 -11.434  -2.203
  233   1HB2  AIB  32          1HB2      AIB  32  -8.534 -11.174   0.871
  234   2HB2  AIB  32          2HB2      AIB  32  -9.101 -10.931  -0.789
  235   3HB2  AIB  32          3HB2      AIB  32  -7.457 -10.410  -0.331
  236    H    ARG  33           H        ARG  33  -7.594 -15.217  -0.543
  237    HA   ARG  33           HA       ARG  33 -10.451 -15.258  -1.103
  238   1HB   ARG  33          HB1       ARG  33  -8.681 -17.581  -1.882
  239   2HB   ARG  33          HB2       ARG  33 -10.178 -17.045  -2.619
  240   1HG   ARG  33          HG1       ARG  33  -7.535 -15.518  -2.769
  241   2HG   ARG  33          HG2       ARG  33  -8.145 -16.568  -4.032
  242   1HD   ARG  33          HD1       ARG  33  -9.141 -13.861  -3.165
  243   2HD   ARG  33          HD2       ARG  33  -8.931 -14.496  -4.784
  244    HE   ARG  33           HE       ARG  33 -11.282 -14.864  -3.044
  245   1HH1  ARG  33          HH1       ARG  33 -13.018 -16.584  -5.534
  246   2HH1  ARG  33          HH1       ARG  33 -13.134 -15.812  -3.988
  247   1HH2  ARG  33          HH2       ARG  33 -10.982 -16.654  -6.647
  248   2HH2  ARG  33          HH2       ARG  33  -9.579 -15.936  -5.930
  249    H    GLN  34           H        GLN  34  -7.625 -16.709   0.563
  250    HA   GLN  34           HA       GLN  34  -8.912 -18.840   1.734
  251   1HB   GLN  34          HB1       GLN  34  -6.353 -17.628   1.835
  252   2HB   GLN  34          HB2       GLN  34  -6.901 -17.663   3.499
  253   1HG   GLN  34          HG1       GLN  34  -6.273 -19.844   3.558
  254   2HG   GLN  34          HG2       GLN  34  -7.647 -20.190   2.527
  255   1HE2  GLN  34          1HE2      GLN  34  -4.221 -19.450   2.629
  256   2HE2  GLN  34          2HE2      GLN  34  -3.790 -20.074   1.071
  257    H    ARG  35           H        ARG  35  -9.263 -15.428   2.277
  258    HA   ARG  35           HA       ARG  35 -10.672 -16.041   4.751
  259   1HB   ARG  35          HB1       ARG  35  -8.514 -14.301   4.460
  260   2HB   ARG  35          HB2       ARG  35  -9.874 -13.206   4.323
  261   1HG   ARG  35          HG1       ARG  35 -10.280 -15.130   6.506
  262   2HG   ARG  35          HG2       ARG  35  -8.779 -14.250   6.711
  263   1HD   ARG  35          HD1       ARG  35 -11.264 -12.697   5.959
  264   2HD   ARG  35          HD2       ARG  35 -11.094 -13.251   7.613
  265    HE   ARG  35           HE       ARG  35  -8.704 -11.903   6.562
  266   1HH1  ARG  35          HH1       ARG  35  -9.214  -9.094   8.570
  267   2HH1  ARG  35          HH1       ARG  35  -8.101  -9.924   7.535
  268   1HH2  ARG  35          HH2       ARG  35 -11.317  -9.991   8.969
  269   2HH2  ARG  35          HH2       ARG  35 -11.773 -11.490   8.232
  270    H    TYR  36           H        TYR  36 -11.482 -15.960   1.777
  271    HA   TYR  36           HA       TYR  36 -12.990 -14.985   0.424
  272   1HB   TYR  36          HB1       TYR  36 -14.649 -14.727   2.976
  273   2HB   TYR  36          HB2       TYR  36 -15.172 -15.336   1.419
  274    HD1  TYR  36           HD1      TYR  36 -14.239 -16.247   4.689
  275    HD2  TYR  36           HD2      TYR  36 -13.958 -17.576   0.632
  276    HE1  TYR  36           HE1      TYR  36 -13.864 -18.632   5.488
  277    HE2  TYR  36           HE2      TYR  36 -13.584 -19.956   1.445
  278    HH   TYR  36           HH       TYR  36 -14.372 -21.045   4.250
  279   1HN   NH2  37          HN1       NH2 237 -11.856 -13.000   0.103
  280   2HN   NH2  37          HN2       NH2 237 -12.466 -11.510   0.743
  Start of MODEL    8
    1    H    TYR   1           H        TYR   1   5.369  -6.172 -22.012
    2    HA   TYR   1           HA       TYR   1   4.619  -3.559 -22.879
    3   1HB   TYR   1          HB1       TYR   1   3.374  -5.277 -20.667
    4   2HB   TYR   1          HB2       TYR   1   2.533  -4.227 -21.791
    5    HD1  TYR   1           HD1      TYR   1   2.853  -7.507 -20.984
    6    HD2  TYR   1           HD2      TYR   1   3.259  -4.986 -24.417
    7    HE1  TYR   1           HE1      TYR   1   2.397  -9.492 -22.505
    8    HE2  TYR   1           HE2      TYR   1   2.801  -6.980 -25.926
    9    HH   TYR   1           HH       TYR   1   2.318 -10.214 -24.542
   10    HA   PRO   2           HA       PRO   2   6.614  -1.986 -19.188
   11   1HB   PRO   2          HB1       PRO   2   7.531   0.342 -20.286
   12   2HB   PRO   2          HB2       PRO   2   8.480  -1.129 -20.230
   13   1HG   PRO   2          HG1       PRO   2   7.095   0.096 -22.537
   14   2HG   PRO   2          HG2       PRO   2   8.372  -1.105 -22.534
   15   1HD   PRO   2          HD1       PRO   2   5.580  -1.568 -23.005
   16   2HD   PRO   2          HD2       PRO   2   6.839  -2.782 -22.887
   17    H    SER   3           H        SER   3   5.570   0.753 -21.110
   18    HA   SER   3           HA       SER   3   4.068   2.276 -20.750
   19   1HB   SER   3          HB1       SER   3   2.424   0.458 -20.950
   20   2HB   SER   3          HB2       SER   3   2.603   0.059 -19.253
   21    HG   SER   3           HG       SER   3   0.778   1.337 -19.339
   22    H    LYS   4           H        LYS   4   4.756   3.961 -19.479
   23    HA   LYS   4           HA       LYS   4   4.722   3.508 -16.577
   24   1HB   LYS   4          HB1       LYS   4   6.690   5.395 -17.830
   25   2HB   LYS   4          HB2       LYS   4   6.761   4.573 -16.285
   26   1HG   LYS   4          HG1       LYS   4   8.114   3.056 -17.308
   27   2HG   LYS   4          HG2       LYS   4   6.667   2.440 -18.080
   28   1HD   LYS   4          HD1       LYS   4   7.990   4.831 -19.344
   29   2HD   LYS   4          HD2       LYS   4   8.809   3.290 -19.496
   30   1HE   LYS   4          HE1       LYS   4   6.210   2.565 -20.107
   31   2HE   LYS   4          HE2       LYS   4   6.253   4.204 -20.725
   32   1HZ   LYS   4          HZ1       LYS   4   8.576   3.214 -21.582
   33   2HZ   LYS   4          HZ2       LYS   4   7.627   1.888 -21.664
   34   3HZ   LYS   4          HZ3       LYS   4   7.205   3.245 -22.468
   35    HA   PRO   5           HA       PRO   5   2.309   7.079 -16.399
   36   1HB   PRO   5          HB1       PRO   5   2.979   8.173 -13.986
   37   2HB   PRO   5          HB2       PRO   5   1.893   6.807 -14.150
   38   1HG   PRO   5          HG1       PRO   5   4.706   6.841 -13.241
   39   2HG   PRO   5          HG2       PRO   5   3.494   5.595 -13.015
   40   1HD   PRO   5          HD1       PRO   5   5.661   5.560 -14.894
   41   2HD   PRO   5          HD2       PRO   5   4.383   4.371 -14.746
   42    H    ASP   6           H        ASP   6   5.469   8.032 -15.119
   43    HA   ASP   6           HA       ASP   6   6.276   9.518 -17.175
   44   1HB   ASP   6          HB1       ASP   6   4.093  10.879 -15.696
   45   2HB   ASP   6          HB2       ASP   6   5.538  11.859 -15.844
   46    H    ASN   7           H        ASN   7   5.662   9.405 -13.643
   47    HA   ASN   7           HA       ASN   7   8.419  10.270 -13.245
   48   1HB   ASN   7          HB1       ASN   7   5.870  10.895 -11.746
   49   2HB   ASN   7          HB2       ASN   7   7.335  10.737 -10.798
   50   1HD2  ASN   7          HD2       ASN   7   9.301  11.851 -11.880
   51   2HD2  ASN   7          HD2       ASN   7   9.054  13.482 -12.407
   52    HA   PRO   8           HA       PRO   8   8.875   6.515 -11.024
   53   1HB   PRO   8          HB1       PRO   8  10.635   7.131  -9.027
   54   2HB   PRO   8          HB2       PRO   8  11.128   6.844 -10.684
   55   1HG   PRO   8          HG1       PRO   8  10.919   9.410  -9.229
   56   2HG   PRO   8          HG2       PRO   8  11.793   9.053 -10.706
   57   1HD   PRO   8          HD1       PRO   8   9.288  10.433 -10.485
   58   2HD   PRO   8          HD2       PRO   8  10.105   9.974 -11.966
   59    H    GLY   9           H        GLY   9   8.004   9.250  -9.059
   60   1HA   GLY   9          HA1       GLY   9   5.834   8.771  -7.899
   61   2HA   GLY   9          HA2       GLY   9   6.644   7.373  -7.221
   62    H    GLU  10           H        GLU  10   7.172  10.951  -7.624
   63    HA   GLU  10           HA       GLU  10   8.031  10.949  -4.841
   64   1HB   GLU  10          HB1       GLU  10   9.303  12.866  -6.789
   65   2HB   GLU  10          HB2       GLU  10   9.934  12.245  -5.276
   66   1HG   GLU  10          HG1       GLU  10   9.736   9.900  -6.658
   67   2HG   GLU  10          HG2       GLU  10   9.965  10.998  -8.004
   68    H    ASP  11           H        ASP  11   6.786  12.812  -7.673
   69    HA   ASP  11           HA       ASP  11   5.494  14.565  -5.732
   70   1HB   ASP  11          HB1       ASP  11   7.258  15.263  -7.791
   71   2HB   ASP  11          HB2       ASP  11   5.691  15.548  -8.521
   72    H    ALA  12           H        ALA  12   3.421  15.645  -6.903
   73    HA   ALA  12           HA       ALA  12   1.434  15.396  -7.844
   74   1HB   ALA  12          HB1       ALA  12   2.129  13.138  -9.629
   75   2HB   ALA  12          HB2       ALA  12   1.435  14.731 -10.015
   76   3HB   ALA  12          HB3       ALA  12   3.191  14.558  -9.782
   77    HA   PRO  13           HA       PRO  13  -0.372  12.099  -5.706
   78   1HB   PRO  13          HB1       PRO  13  -2.908  12.080  -6.725
   79   2HB   PRO  13          HB2       PRO  13  -2.374  13.219  -5.505
   80   1HG   PRO  13          HG1       PRO  13  -2.842  13.675  -8.388
   81   2HG   PRO  13          HG2       PRO  13  -2.728  14.852  -7.094
   82   1HD   PRO  13          HD1       PRO  13  -0.711  14.240  -9.040
   83   2HD   PRO  13          HD2       PRO  13  -0.556  15.331  -7.678
   84    H    ALA  14           H        ALA  14  -2.115  10.131  -6.174
   85    HA   ALA  14           HA       ALA  14  -1.981   8.020  -6.895
   86   1HB   ALA  14          HB1       ALA  14  -3.098   9.640  -8.758
   87   2HB   ALA  14          HB2       ALA  14  -1.777   8.939  -9.725
   88   3HB   ALA  14          HB3       ALA  14  -2.975   7.874  -8.951
   89    H    GLU  15           H        GLU  15   0.643   9.416  -6.368
   90    HA   GLU  15           HA       GLU  15   2.250   7.726  -8.123
   91   1HB   GLU  15          HB1       GLU  15   2.418  10.563  -7.645
   92   2HB   GLU  15          HB2       GLU  15   3.857   9.820  -6.976
   93   1HG   GLU  15          HG1       GLU  15   4.288  10.365  -9.317
   94   2HG   GLU  15          HG2       GLU  15   4.230   8.621  -9.156
   95    H    ASP  16           H        ASP  16   1.336   8.689  -4.882
   96    HA   ASP  16           HA       ASP  16   3.517   7.071  -3.831
   97   1HB   ASP  16          HB1       ASP  16   3.154   9.517  -3.055
   98   2HB   ASP  16          HB2       ASP  16   1.694   8.950  -2.269
   99    H    LEU  17           H        LEU  17  -0.010   7.654  -4.001
  100    HA   LEU  17           HA       LEU  17  -0.655   5.664  -2.049
  101   1HB   LEU  17          HB1       LEU  17  -1.951   7.805  -3.356
  102   2HB   LEU  17          HB2       LEU  17  -2.831   6.355  -3.796
  103    HG   LEU  17           HG       LEU  17  -3.819   7.389  -1.843
  104   1HD1  LEU  17          HD1       LEU  17  -3.946   5.482  -0.386
  105   2HD1  LEU  17          HD1       LEU  17  -3.826   4.910  -2.068
  106   3HD1  LEU  17          HD1       LEU  17  -2.401   4.848  -1.003
  107   1HD2  LEU  17          HD2       LEU  17  -2.664   7.673   0.256
  108   2HD2  LEU  17          HD2       LEU  17  -1.178   6.964  -0.420
  109   3HD2  LEU  17          HD2       LEU  17  -1.774   8.527  -1.027
  110    H    ALA  18           H        ALA  18  -0.475   5.905  -5.632
  111    HA   ALA  18           HA       ALA  18  -1.655   3.457  -6.209
  112   1HB   ALA  18          HB1       ALA  18   0.647   4.593  -7.800
  113   2HB   ALA  18          HB2       ALA  18  -0.852   3.824  -8.377
  114   3HB   ALA  18          HB3       ALA  18  -0.897   5.473  -7.707
  115    H    ARG  19           H        ARG  19   1.769   4.348  -5.462
  116    HA   ARG  19           HA       ARG  19   2.845   1.883  -5.964
  117   1HB   ARG  19          HB1       ARG  19   3.657   3.981  -3.889
  118   2HB   ARG  19          HB2       ARG  19   4.673   2.632  -4.357
  119   1HG   ARG  19          HG1       ARG  19   3.579   4.327  -6.584
  120   2HG   ARG  19          HG2       ARG  19   4.801   5.064  -5.566
  121   1HD   ARG  19          HD1       ARG  19   5.825   2.486  -6.062
  122   2HD   ARG  19          HD2       ARG  19   5.094   2.938  -7.589
  123    HE   ARG  19           HE       ARG  19   6.729   4.599  -7.867
  124   1HH1  ARG  19          HH1       ARG  19   9.263   5.647  -5.709
  125   2HH1  ARG  19          HH1       ARG  19   8.631   5.741  -7.319
  126   1HH2  ARG  19          HH2       ARG  19   8.179   4.362  -4.109
  127   2HH2  ARG  19          HH2       ARG  19   6.738   3.496  -4.525
  128    H    TYR  20           H        TYR  20   0.785   3.001  -3.355
  129    HA   TYR  20           HA       TYR  20   1.546   0.796  -1.613
  130   1HB   TYR  20          HB1       TYR  20   1.117   2.830  -0.425
  131   2HB   TYR  20          HB2       TYR  20  -0.088   3.357  -1.584
  132    HD1  TYR  20           HD1      TYR  20   0.514   1.106   1.303
  133    HD2  TYR  20           HD2      TYR  20  -2.413   2.867  -1.273
  134    HE1  TYR  20           HE1      TYR  20  -1.337   0.337   2.868
  135    HE2  TYR  20           HE2      TYR  20  -4.253   2.093   0.300
  136    HH   TYR  20           HH       TYR  20  -4.733   1.118   2.163
  137    H    TYR  21           H        TYR  21  -0.621   1.446  -4.205
  138    HA   TYR  21           HA       TYR  21  -2.599  -0.455  -3.193
  139   1HB   TYR  21          HB1       TYR  21  -2.409   1.886  -4.992
  140   2HB   TYR  21          HB2       TYR  21  -3.142   0.541  -5.843
  141    HD1  TYR  21           HD1      TYR  21  -3.758   3.290  -3.711
  142    HD2  TYR  21           HD2      TYR  21  -5.107  -0.683  -4.552
  143    HE1  TYR  21           HE1      TYR  21  -5.994   3.810  -2.619
  144    HE2  TYR  21           HE2      TYR  21  -7.338  -0.149  -3.457
  145    HH   TYR  21           HH       TYR  21  -8.092   1.524  -1.633
  146    H    SER  22           H        SER  22  -0.093   0.019  -5.703
  147    HA   SER  22           HA       SER  22  -0.881  -2.235  -7.193
  148   1HB   SER  22          HB1       SER  22   1.342  -0.261  -7.204
  149   2HB   SER  22          HB2       SER  22   1.779  -1.836  -7.835
  150    HG   SER  22           HG       SER  22  -0.427  -1.520  -9.069
  151    H    ALA  23           H        ALA  23   1.415  -1.587  -4.513
  152    HA   ALA  23           HA       ALA  23   2.568  -4.210  -4.649
  153   1HB   ALA  23          HB1       ALA  23   4.163  -3.073  -3.551
  154   2HB   ALA  23          HB2       ALA  23   3.080  -1.673  -3.364
  155   3HB   ALA  23          HB3       ALA  23   3.080  -2.967  -2.142
  156    H    LEU  24           H        LEU  24  -0.386  -2.883  -3.536
  157    HA   LEU  24           HA       LEU  24  -0.692  -4.520  -1.227
  158   1HB   LEU  24          HB1       LEU  24  -1.810  -2.295  -1.770
  159   2HB   LEU  24          HB2       LEU  24  -2.870  -3.198  -2.835
  160    HG   LEU  24           HG       LEU  24  -2.844  -4.507  -0.286
  161   1HD1  LEU  24          HD1       LEU  24  -2.126  -2.004   0.260
  162   2HD1  LEU  24          HD1       LEU  24  -3.882  -1.744   0.125
  163   3HD1  LEU  24          HD1       LEU  24  -3.245  -2.922   1.296
  164   1HD2  LEU  24          HD2       LEU  24  -4.606  -4.304  -2.202
  165   2HD2  LEU  24          HD2       LEU  24  -5.139  -4.456  -0.511
  166   3HD2  LEU  24          HD2       LEU  24  -5.138  -2.862  -1.304
  167    H    ARG  25           H        ARG  25  -0.814  -5.043  -4.648
  168    HA   ARG  25           HA       ARG  25  -2.745  -7.095  -4.558
  169   1HB   ARG  25          HB1       ARG  25  -1.990  -5.668  -6.598
  170   2HB   ARG  25          HB2       ARG  25  -0.593  -6.722  -6.690
  171   1HG   ARG  25          HG1       ARG  25  -1.867  -8.128  -7.939
  172   2HG   ARG  25          HG2       ARG  25  -2.728  -8.526  -6.465
  173   1HD   ARG  25          HD1       ARG  25  -4.473  -6.944  -6.911
  174   2HD   ARG  25          HD2       ARG  25  -3.511  -6.080  -8.094
  175    HE   ARG  25           HE       ARG  25  -3.716  -8.676  -9.118
  176   1HH1  ARG  25          HH1       ARG  25  -6.826  -8.469 -10.689
  177   2HH1  ARG  25          HH1       ARG  25  -5.324  -9.328 -10.605
  178   1HH2  ARG  25          HH2       ARG  25  -7.205  -6.656  -9.290
  179   2HH2  ARG  25          HH2       ARG  25  -5.986  -6.162  -8.162
  180    H    HIS  26           H        HIS  26   0.719  -6.817  -3.968
  181    HA   HIS  26           HA       HIS  26   1.018  -9.713  -4.111
  182   1HB   HIS  26          HB1       HIS  26   2.627  -7.803  -5.095
  183   2HB   HIS  26          HB2       HIS  26   3.315  -7.916  -3.487
  184    HD1  HIS  26           HD1      HIS  26   4.359 -10.268  -2.787
  185    HD2  HIS  26           HD2      HIS  26   3.217  -9.928  -6.808
  186    HE1  HIS  26           HE1      HIS  26   5.477 -12.206  -4.014
  187    H    TYR  27           H        TYR  27   0.605  -7.024  -1.912
  188    HA   TYR  27           HA       TYR  27   1.686  -8.489   0.342
  189   1HB   TYR  27          HB1       TYR  27   1.878  -5.970  -0.037
  190   2HB   TYR  27          HB2       TYR  27   0.130  -5.850  -0.013
  191    HD1  TYR  27           HD1      TYR  27   2.569  -7.631   2.223
  192    HD2  TYR  27           HD2      TYR  27  -0.540  -4.711   1.894
  193    HE1  TYR  27           HE1      TYR  27   2.623  -7.280   4.741
  194    HE2  TYR  27           HE2      TYR  27  -0.476  -4.369   4.412
  195    HH   TYR  27           HH       TYR  27   1.981  -5.222   6.283
  196    H    ILE  28           H        ILE  28  -1.302  -8.234  -1.389
  197    HA   ILE  28           HA       ILE  28  -2.890  -8.856   0.962
  198    HB   ILE  28           HB       ILE  28  -3.504  -8.180  -1.900
  199   1HG1  ILE  28          1HG1      ILE  28  -3.016  -6.476   0.018
  200   2HG1  ILE  28          2HG1      ILE  28  -4.343  -6.197  -1.093
  201   1HG2  ILE  28          1HG2      ILE  28  -4.964 -10.060  -1.236
  202   2HG2  ILE  28          2HG2      ILE  28  -5.518  -9.110   0.164
  203   3HG2  ILE  28          3HG2      ILE  28  -5.860  -8.542  -1.488
  204   1HD1  ILE  28          1HD1      ILE  28  -4.803  -7.725   1.490
  205   2HD1  ILE  28          2HD1      ILE  28  -4.802  -5.945   1.465
  206   3HD1  ILE  28          3HD1      ILE  28  -5.986  -6.848   0.490
  207    H    ASN  29           H        ASN  29  -0.983 -10.450  -1.395
  208    HA   ASN  29           HA       ASN  29  -2.447 -12.645  -2.024
  209   1HB   ASN  29          HB1       ASN  29  -0.287 -12.383  -3.046
  210   2HB   ASN  29          HB2       ASN  29   0.524 -12.227  -1.501
  211   1HD2  ASN  29          HD2       ASN  29   1.929 -13.852  -1.566
  212   2HD2  ASN  29          HD2       ASN  29   1.537 -15.533  -1.714
  213    H    LEU  30           H        LEU  30  -1.185 -11.586   1.061
  214    HA   LEU  30           HA       LEU  30  -1.246 -14.251   2.209
  215   1HB   LEU  30          HB1       LEU  30   0.504 -13.275   3.191
  216   2HB   LEU  30          HB2       LEU  30  -0.075 -11.651   2.874
  217    HG   LEU  30           HG       LEU  30  -1.730 -12.026   4.799
  218   1HD1  LEU  30          HD1       LEU  30  -1.314 -13.723   6.392
  219   2HD1  LEU  30          HD1       LEU  30  -1.353 -14.532   4.807
  220   3HD1  LEU  30          HD1       LEU  30   0.206 -14.204   5.601
  221   1HD2  LEU  30          HD2       LEU  30   0.565 -10.752   4.739
  222   2HD2  LEU  30          HD2       LEU  30  -0.281 -11.033   6.279
  223   3HD2  LEU  30          HD2       LEU  30   1.088 -12.071   5.814
  224    H    ALA  31           H        ALA  31  -3.268 -11.434   1.750
  225    HA   ALA  31           HA       ALA  31  -4.972 -12.010   3.987
  226   1HB   ALA  31          HB1       ALA  31  -5.078  -9.767   3.525
  227   2HB   ALA  31          HB2       ALA  31  -4.777 -10.000   1.786
  228   3HB   ALA  31          HB3       ALA  31  -6.398 -10.300   2.456
  229   1HN   AIB  32          1HN       AIB  32  -6.392 -11.442   0.806
  230   1HB1  AIB  32          1HB1      AIB  32  -7.293 -15.210   1.274
  231   2HB1  AIB  32          2HB1      AIB  32  -5.865 -14.722   0.324
  232   3HB1  AIB  32          3HB1      AIB  32  -7.336 -15.250  -0.512
  233   1HB2  AIB  32          1HB2      AIB  32  -7.896 -13.464  -1.784
  234   2HB2  AIB  32          2HB2      AIB  32  -6.775 -12.145  -1.407
  235   3HB2  AIB  32          3HB2      AIB  32  -8.516 -11.952  -1.064
  236    H    ARG  33           H        ARG  33  -7.998 -12.763   2.934
  237    HA   ARG  33           HA       ARG  33 -10.852 -12.920   2.402
  238   1HB   ARG  33          HB1       ARG  33  -9.769 -13.855   5.064
  239   2HB   ARG  33          HB2       ARG  33 -11.238 -14.343   4.243
  240   1HG   ARG  33          HG1       ARG  33  -8.432 -15.048   3.263
  241   2HG   ARG  33          HG2       ARG  33  -9.410 -16.108   4.258
  242   1HD   ARG  33          HD1       ARG  33  -9.719 -15.401   1.366
  243   2HD   ARG  33          HD2       ARG  33 -10.048 -16.917   2.182
  244    HE   ARG  33           HE       ARG  33 -11.908 -14.652   1.867
  245   1HH1  ARG  33          HH1       ARG  33 -14.510 -16.413   3.385
  246   2HH1  ARG  33          HH1       ARG  33 -14.083 -15.005   2.471
  247   1HH2  ARG  33          HH2       ARG  33 -12.872 -17.940   3.997
  248   2HH2  ARG  33          HH2       ARG  33 -11.223 -17.671   3.539
  249    H    GLN  34           H        GLN  34  -8.178 -11.833   4.579
  250    HA   GLN  34           HA       GLN  34  -9.627 -10.273   6.273
  251   1HB   GLN  34          HB1       GLN  34  -6.811 -10.431   5.366
  252   2HB   GLN  34          HB2       GLN  34  -7.262  -8.848   5.967
  253   1HG   GLN  34          HG1       GLN  34  -6.618  -9.904   7.953
  254   2HG   GLN  34          HG2       GLN  34  -8.346 -10.196   7.971
  255   1HE2  GLN  34          1HE2      GLN  34  -5.188 -11.545   7.610
  256   2HE2  GLN  34          2HE2      GLN  34  -5.617 -13.223   7.581
  257    H    ARG  35           H        ARG  35  -9.055  -9.852   2.867
  258    HA   ARG  35           HA       ARG  35  -9.998  -7.107   3.113
  259   1HB   ARG  35          HB1       ARG  35  -7.658  -7.879   1.925
  260   2HB   ARG  35          HB2       ARG  35  -8.731  -8.030   0.548
  261   1HG   ARG  35          HG1       ARG  35  -9.486  -5.574   1.683
  262   2HG   ARG  35          HG2       ARG  35  -7.746  -5.596   1.896
  263   1HD   ARG  35          HD1       ARG  35  -7.724  -4.800  -0.261
  264   2HD   ARG  35          HD2       ARG  35  -7.892  -6.491  -0.687
  265    HE   ARG  35           HE       ARG  35 -10.051  -6.039  -1.446
  266   1HH1  ARG  35          HH1       ARG  35 -12.155  -3.304  -0.929
  267   2HH1  ARG  35          HH1       ARG  35 -11.937  -4.794  -1.784
  268   1HH2  ARG  35          HH2       ARG  35 -10.532  -2.571   0.559
  269   2HH2  ARG  35          HH2       ARG  35  -9.103  -3.515   0.816
  270    H    TYR  36           H        TYR  36 -11.394  -9.881   2.917
  271    HA   TYR  36           HA       TYR  36 -12.951 -10.934   1.681
  272   1HB   TYR  36          HB1       TYR  36 -13.978  -8.108   1.139
  273   2HB   TYR  36          HB2       TYR  36 -14.908  -9.506   1.644
  274    HD1  TYR  36           HD1      TYR  36 -13.412  -6.480   2.714
  275    HD2  TYR  36           HD2      TYR  36 -14.374 -10.426   4.060
  276    HE1  TYR  36           HE1      TYR  36 -13.301  -5.691   5.128
  277    HE2  TYR  36           HE2      TYR  36 -14.260  -9.624   6.470
  278    HH   TYR  36           HH       TYR  36 -13.861  -6.215   7.217
  279   1HN   NH2  37          HN1       NH2 237 -11.669 -11.596  -0.085
  280   2HN   NH2  37          HN2       NH2 237 -11.829 -10.876  -1.652
  Start of MODEL    9
    1    H    TYR   1           H        TYR   1  24.193  22.270  -1.501
    2    HA   TYR   1           HA       TYR   1  24.197  21.480   0.569
    3   1HB   TYR   1          HB1       TYR   1  21.175  21.075   0.254
    4   2HB   TYR   1          HB2       TYR   1  22.030  21.585   1.696
    5    HD1  TYR   1           HD1      TYR   1  23.358  23.904   1.415
    6    HD2  TYR   1           HD2      TYR   1  20.008  22.681  -0.949
    7    HE1  TYR   1           HE1      TYR   1  22.871  26.331   0.836
    8    HE2  TYR   1           HE2      TYR   1  19.533  25.113  -1.520
    9    HH   TYR   1           HH       TYR   1  21.649  27.696  -0.304
   10    HA   PRO   2           HA       PRO   2  23.989  17.161   0.481
   11   1HB   PRO   2          HB1       PRO   2  23.954  16.491   3.130
   12   2HB   PRO   2          HB2       PRO   2  25.413  16.959   2.279
   13   1HG   PRO   2          HG1       PRO   2  23.809  18.524   4.207
   14   2HG   PRO   2          HG2       PRO   2  25.459  18.790   3.681
   15   1HD   PRO   2          HD1       PRO   2  23.134  20.245   2.842
   16   2HD   PRO   2          HD2       PRO   2  24.766  20.433   2.230
   17    H    SER   3           H        SER   3  21.561  18.669   2.488
   18    HA   SER   3           HA       SER   3  19.945  16.479   2.779
   19   1HB   SER   3          HB1       SER   3  19.763  19.353   3.144
   20   2HB   SER   3          HB2       SER   3  18.262  18.769   2.454
   21    HG   SER   3           HG       SER   3  19.488  18.100   4.954
   22    H    LYS   4           H        LYS   4  17.728  16.136   1.694
   23    HA   LYS   4           HA       LYS   4  17.996  16.656  -1.186
   24   1HB   LYS   4          HB1       LYS   4  16.456  14.316  -0.108
   25   2HB   LYS   4          HB2       LYS   4  17.215  14.527  -1.673
   26   1HG   LYS   4          HG1       LYS   4  18.930  13.284  -0.833
   27   2HG   LYS   4          HG2       LYS   4  19.397  14.736   0.031
   28   1HD   LYS   4          HD1       LYS   4  18.785  13.866   2.049
   29   2HD   LYS   4          HD2       LYS   4  17.247  13.295   1.432
   30   1HE   LYS   4          HE1       LYS   4  18.298  11.280   0.498
   31   2HE   LYS   4          HE2       LYS   4  19.898  11.876   0.895
   32   1HZ   LYS   4          HZ1       LYS   4  19.644  11.295   3.014
   33   2HZ   LYS   4          HZ2       LYS   4  18.086  11.777   3.110
   34   3HZ   LYS   4          HZ3       LYS   4  18.451  10.317   2.477
   35    HA   PRO   5           HA       PRO   5  14.310  18.844   0.026
   36   1HB   PRO   5          HB1       PRO   5  14.597  20.925  -1.723
   37   2HB   PRO   5          HB2       PRO   5  15.232  20.951  -0.090
   38   1HG   PRO   5          HG1       PRO   5  16.686  20.587  -2.638
   39   2HG   PRO   5          HG2       PRO   5  17.319  21.037  -1.067
   40   1HD   PRO   5          HD1       PRO   5  17.500  18.462  -2.317
   41   2HD   PRO   5          HD2       PRO   5  18.030  18.882  -0.701
   42    H    ASP   6           H        ASP   6  15.457  18.025  -3.160
   43    HA   ASP   6           HA       ASP   6  12.676  17.896  -3.987
   44   1HB   ASP   6          HB1       ASP   6  13.572  17.785  -6.289
   45   2HB   ASP   6          HB2       ASP   6  14.201  19.187  -5.446
   46    H    ASN   7           H        ASN   7  11.765  15.860  -4.548
   47    HA   ASN   7           HA       ASN   7  13.567  13.635  -4.847
   48   1HB   ASN   7          HB1       ASN   7  11.548  13.953  -2.603
   49   2HB   ASN   7          HB2       ASN   7  11.839  12.350  -3.248
   50   1HD2  ASN   7          HD2       ASN   7  12.523  13.985  -0.711
   51   2HD2  ASN   7          HD2       ASN   7  14.184  13.611  -0.395
   52    HA   PRO   8           HA       PRO   8  10.303  12.866  -7.706
   53   1HB   PRO   8          HB1       PRO   8  11.225  10.529  -8.780
   54   2HB   PRO   8          HB2       PRO   8  11.775  12.107  -9.306
   55   1HG   PRO   8          HG1       PRO   8  13.175  10.124  -7.619
   56   2HG   PRO   8          HG2       PRO   8  13.843  11.487  -8.495
   57   1HD   PRO   8          HD1       PRO   8  13.357  11.333  -5.672
   58   2HD   PRO   8          HD2       PRO   8  13.915  12.734  -6.564
   59    H    GLY   9           H        GLY   9  10.832  11.280  -4.893
   60   1HA   GLY   9          HA1       GLY   9   8.511   9.506  -5.355
   61   2HA   GLY   9          HA2       GLY   9   9.808   9.199  -4.218
   62    H    GLU  10           H        GLU  10  10.172  11.081  -2.529
   63    HA   GLU  10           HA       GLU  10   8.130  11.185  -0.850
   64   1HB   GLU  10          HB1       GLU  10   9.921  12.132   0.188
   65   2HB   GLU  10          HB2       GLU  10  10.548  12.809  -1.302
   66   1HG   GLU  10          HG1       GLU  10   9.124  14.746  -1.152
   67   2HG   GLU  10          HG2       GLU  10   8.109  14.006   0.070
   68    H    ASP  11           H        ASP  11   8.830  13.739  -3.342
   69    HA   ASP  11           HA       ASP  11   6.504  15.173  -2.719
   70   1HB   ASP  11          HB1       ASP  11   8.484  15.158  -5.015
   71   2HB   ASP  11          HB2       ASP  11   7.023  16.117  -5.149
   72    H    ALA  12           H        ALA  12   4.544  15.368  -4.103
   73    HA   ALA  12           HA       ALA  12   2.898  14.610  -5.374
   74   1HB   ALA  12          HB1       ALA  12   3.852  12.806  -7.207
   75   2HB   ALA  12          HB2       ALA  12   3.900  14.573  -7.413
   76   3HB   ALA  12          HB3       ALA  12   5.332  13.709  -6.804
   77    HA   PRO  13           HA       PRO  13   2.561  10.920  -2.861
   78   1HB   PRO  13          HB1       PRO  13   0.183  11.558  -1.674
   79   2HB   PRO  13          HB2       PRO  13   1.740  11.953  -0.974
   80   1HG   PRO  13          HG1       PRO  13  -0.188  13.737  -2.328
   81   2HG   PRO  13          HG2       PRO  13   1.141  14.161  -1.268
   82   1HD   PRO  13          HD1       PRO  13   1.087  14.390  -4.126
   83   2HD   PRO  13          HD2       PRO  13   2.454  14.703  -3.075
   84    H    ALA  14           H        ALA  14   0.803  12.288  -5.364
   85    HA   ALA  14           HA       ALA  14  -1.277  10.415  -5.536
   86   1HB   ALA  14          HB1       ALA  14  -0.169  12.634  -7.053
   87   2HB   ALA  14          HB2       ALA  14  -0.622  11.296  -8.136
   88   3HB   ALA  14          HB3       ALA  14  -1.831  11.997  -7.034
   89    H    GLU  15           H        GLU  15   2.147  10.409  -6.544
   90    HA   GLU  15           HA       GLU  15   1.784   8.053  -8.111
   91   1HB   GLU  15          HB1       GLU  15   3.530   9.988  -8.419
   92   2HB   GLU  15          HB2       GLU  15   4.458   9.150  -7.191
   93   1HG   GLU  15          HG1       GLU  15   4.084   7.011  -8.675
   94   2HG   GLU  15          HG2       GLU  15   3.640   8.143  -9.938
   95    H    ASP  16           H        ASP  16   2.193   8.813  -4.771
   96    HA   ASP  16           HA       ASP  16   3.627   6.440  -4.131
   97   1HB   ASP  16          HB1       ASP  16   2.629   8.845  -2.753
   98   2HB   ASP  16          HB2       ASP  16   2.377   7.403  -1.791
   99    H    LEU  17           H        LEU  17   0.257   7.755  -3.848
  100    HA   LEU  17           HA       LEU  17  -0.945   5.760  -2.441
  101   1HB   LEU  17          HB1       LEU  17  -1.715   8.007  -3.851
  102   2HB   LEU  17          HB2       LEU  17  -2.546   6.712  -4.692
  103    HG   LEU  17           HG       LEU  17  -3.990   7.639  -3.003
  104   1HD1  LEU  17          HD1       LEU  17  -2.962   4.875  -2.328
  105   2HD1  LEU  17          HD1       LEU  17  -4.428   5.586  -1.612
  106   3HD1  LEU  17          HD1       LEU  17  -4.337   5.315  -3.369
  107   1HD2  LEU  17          HD2       LEU  17  -2.285   8.582  -1.523
  108   2HD2  LEU  17          HD2       LEU  17  -3.459   7.597  -0.619
  109   3HD2  LEU  17          HD2       LEU  17  -1.843   6.946  -0.979
  110    H    ALA  18           H        ALA  18  -0.299   5.877  -6.001
  111    HA   ALA  18           HA       ALA  18  -1.518   3.454  -6.608
  112   1HB   ALA  18          HB1       ALA  18  -0.029   5.487  -7.911
  113   2HB   ALA  18          HB2       ALA  18   0.813   3.955  -8.252
  114   3HB   ALA  18          HB3       ALA  18  -0.910   4.135  -8.661
  115    H    ARG  19           H        ARG  19   1.903   4.240  -5.703
  116    HA   ARG  19           HA       ARG  19   2.865   1.693  -5.982
  117   1HB   ARG  19          HB1       ARG  19   3.737   3.767  -3.906
  118   2HB   ARG  19          HB2       ARG  19   4.716   2.442  -4.504
  119   1HG   ARG  19          HG1       ARG  19   3.601   4.144  -6.664
  120   2HG   ARG  19          HG2       ARG  19   4.657   5.016  -5.571
  121   1HD   ARG  19          HD1       ARG  19   5.834   2.421  -6.206
  122   2HD   ARG  19          HD2       ARG  19   5.424   3.261  -7.689
  123    HE   ARG  19           HE       ARG  19   6.644   5.237  -6.190
  124   1HH1  ARG  19          HH1       ARG  19  10.023   4.460  -6.579
  125   2HH1  ARG  19          HH1       ARG  19   8.881   5.701  -6.185
  126   1HH2  ARG  19          HH2       ARG  19   9.281   2.326  -7.113
  127   2HH2  ARG  19          HH2       ARG  19   7.585   1.975  -7.116
  128    H    TYR  20           H        TYR  20   0.717   3.069  -3.591
  129    HA   TYR  20           HA       TYR  20   1.289   0.962  -1.659
  130   1HB   TYR  20          HB1       TYR  20   0.929   3.092  -0.626
  131   2HB   TYR  20          HB2       TYR  20  -0.190   3.606  -1.873
  132    HD1  TYR  20           HD1      TYR  20  -2.568   2.990  -1.767
  133    HD2  TYR  20           HD2      TYR  20   0.166   1.803   1.302
  134    HE1  TYR  20           HE1      TYR  20  -4.519   2.428  -0.236
  135    HE2  TYR  20           HE2      TYR  20  -1.794   1.245   2.823
  136    HH   TYR  20           HH       TYR  20  -5.022   2.162   2.011
  137    H    TYR  21           H        TYR  21  -0.702   1.535  -4.397
  138    HA   TYR  21           HA       TYR  21  -2.831  -0.182  -3.358
  139   1HB   TYR  21          HB1       TYR  21  -2.443   2.035  -5.278
  140   2HB   TYR  21          HB2       TYR  21  -3.214   0.682  -6.081
  141    HD1  TYR  21           HD1      TYR  21  -3.595   3.289  -3.531
  142    HD2  TYR  21           HD2      TYR  21  -5.461  -0.069  -5.414
  143    HE1  TYR  21           HE1      TYR  21  -5.843   3.989  -2.569
  144    HE2  TYR  21           HE2      TYR  21  -7.702   0.643  -4.447
  145    HH   TYR  21           HH       TYR  21  -7.914   3.272  -2.136
  146    H    SER  22           H        SER  22  -0.106  -0.057  -5.630
  147    HA   SER  22           HA       SER  22  -0.993  -2.374  -7.029
  148   1HB   SER  22          HB1       SER  22   0.906  -0.298  -7.452
  149   2HB   SER  22          HB2       SER  22   1.840  -1.778  -7.371
  150    HG   SER  22           HG       SER  22  -0.538  -1.861  -8.925
  151    H    ALA  23           H        ALA  23   1.157  -1.545  -4.308
  152    HA   ALA  23           HA       ALA  23   2.331  -4.175  -4.234
  153   1HB   ALA  23          HB1       ALA  23   3.899  -2.783  -3.370
  154   2HB   ALA  23          HB2       ALA  23   2.698  -1.541  -2.944
  155   3HB   ALA  23          HB3       ALA  23   2.967  -2.928  -1.861
  156    H    LEU  24           H        LEU  24  -0.501  -2.508  -3.014
  157    HA   LEU  24           HA       LEU  24  -0.907  -4.015  -0.689
  158   1HB   LEU  24          HB1       LEU  24  -2.502  -2.521  -0.471
  159   2HB   LEU  24          HB2       LEU  24  -2.162  -1.925  -2.084
  160    HG   LEU  24           HG       LEU  24  -4.499  -2.364  -1.939
  161   1HD1  LEU  24          HD1       LEU  24  -4.455  -3.086  -4.033
  162   2HD1  LEU  24          HD1       LEU  24  -2.807  -3.715  -3.797
  163   3HD1  LEU  24          HD1       LEU  24  -4.212  -4.753  -3.459
  164   1HD2  LEU  24          HD2       LEU  24  -5.376  -3.902  -0.606
  165   2HD2  LEU  24          HD2       LEU  24  -4.628  -5.204  -1.561
  166   3HD2  LEU  24          HD2       LEU  24  -3.737  -4.469  -0.207
  167    H    ARG  25           H        ARG  25  -0.894  -4.917  -3.998
  168    HA   ARG  25           HA       ARG  25  -2.893  -6.918  -3.722
  169   1HB   ARG  25          HB1       ARG  25  -2.142  -5.656  -5.891
  170   2HB   ARG  25          HB2       ARG  25  -0.790  -6.771  -5.924
  171   1HG   ARG  25          HG1       ARG  25  -2.197  -8.133  -7.101
  172   2HG   ARG  25          HG2       ARG  25  -2.879  -8.527  -5.535
  173   1HD   ARG  25          HD1       ARG  25  -4.824  -7.387  -5.956
  174   2HD   ARG  25          HD2       ARG  25  -3.985  -6.022  -6.665
  175    HE   ARG  25           HE       ARG  25  -4.381  -6.935  -8.773
  176   1HH1  ARG  25          HH1       ARG  25  -5.327 -10.145  -9.763
  177   2HH1  ARG  25          HH1       ARG  25  -5.031  -8.520 -10.285
  178   1HH2  ARG  25          HH2       ARG  25  -5.064 -10.712  -7.528
  179   2HH2  ARG  25          HH2       ARG  25  -4.571  -9.510  -6.382
  180    H    HIS  26           H        HIS  26   0.705  -6.916  -4.322
  181    HA   HIS  26           HA       HIS  26   0.990  -9.664  -3.934
  182   1HB   HIS  26          HB1       HIS  26   2.559  -7.685  -4.895
  183   2HB   HIS  26          HB2       HIS  26   3.275  -7.867  -3.306
  184    HD1  HIS  26           HD1      HIS  26   5.183  -8.622  -5.370
  185    HD2  HIS  26           HD2      HIS  26   2.277 -11.353  -4.068
  186    HE1  HIS  26           HE1      HIS  26   6.052 -10.940  -5.987
  187    H    TYR  27           H        TYR  27   0.598  -6.972  -1.718
  188    HA   TYR  27           HA       TYR  27   1.760  -8.352   0.519
  189   1HB   TYR  27          HB1       TYR  27   1.843  -5.969   0.654
  190   2HB   TYR  27          HB2       TYR  27   0.319  -5.779  -0.189
  191    HD1  TYR  27           HD1      TYR  27  -1.497  -5.017   1.036
  192    HD2  TYR  27           HD2      TYR  27   1.597  -7.169   3.061
  193    HE1  TYR  27           HE1      TYR  27  -2.670  -4.626   3.258
  194    HE2  TYR  27           HE2      TYR  27   0.414  -6.771   5.276
  195    HH   TYR  27           HH       TYR  27  -2.284  -4.599   5.513
  196    H    ILE  28           H        ILE  28  -1.505  -7.758  -0.857
  197    HA   ILE  28           HA       ILE  28  -2.755  -9.012   1.424
  198    HB   ILE  28           HB       ILE  28  -3.744  -7.740  -1.115
  199   1HG1  ILE  28          1HG1      ILE  28  -3.054  -6.209   0.635
  200   2HG1  ILE  28          2HG1      ILE  28  -4.795  -6.160   0.437
  201   1HG2  ILE  28          1HG2      ILE  28  -6.056  -8.144  -0.194
  202   2HG2  ILE  28          2HG2      ILE  28  -5.226  -9.576  -0.849
  203   3HG2  ILE  28          3HG2      ILE  28  -5.326  -9.333   0.911
  204   1HD1  ILE  28          1HD1      ILE  28  -4.923  -6.500   2.680
  205   2HD1  ILE  28          2HD1      ILE  28  -4.434  -8.179   2.347
  206   3HD1  ILE  28          3HD1      ILE  28  -3.207  -6.963   2.778
  207    H    ASN  29           H        ASN  29  -1.044 -10.066  -1.276
  208    HA   ASN  29           HA       ASN  29  -2.607 -12.055  -2.306
  209   1HB   ASN  29          HB1       ASN  29  -0.454 -11.442  -3.315
  210   2HB   ASN  29          HB2       ASN  29   0.418 -11.907  -1.868
  211   1HD2  ASN  29          HD2       ASN  29  -1.627 -13.095  -4.488
  212   2HD2  ASN  29          HD2       ASN  29  -1.029 -14.720  -4.533
  213    H    LEU  30           H        LEU  30  -0.821 -11.780   0.754
  214    HA   LEU  30           HA       LEU  30  -0.863 -14.590   1.311
  215   1HB   LEU  30          HB1       LEU  30   0.863 -13.821   2.470
  216   2HB   LEU  30          HB2       LEU  30   0.282 -12.169   2.434
  217    HG   LEU  30           HG       LEU  30  -1.264 -12.730   4.332
  218   1HD1  LEU  30          HD1       LEU  30  -1.578 -14.814   5.017
  219   2HD1  LEU  30          HD1       LEU  30  -0.504 -15.379   3.715
  220   3HD1  LEU  30          HD1       LEU  30   0.164 -15.016   5.324
  221   1HD2  LEU  30          HD2       LEU  30   1.063 -11.680   4.516
  222   2HD2  LEU  30          HD2       LEU  30   0.357 -12.385   5.990
  223   3HD2  LEU  30          HD2       LEU  30   1.605 -13.277   5.087
  224    H    ALA  31           H        ALA  31  -3.120 -11.978   1.432
  225    HA   ALA  31           HA       ALA  31  -4.642 -13.123   3.608
  226   1HB   ALA  31          HB1       ALA  31  -6.059 -11.102   2.136
  227   2HB   ALA  31          HB2       ALA  31  -5.348 -10.998   3.764
  228   3HB   ALA  31          HB3       ALA  31  -4.371 -10.576   2.338
  229   1HN   AIB  32          1HN       AIB  32  -4.530 -15.214   2.089
  230   1HB1  AIB  32          1HB1      AIB  32  -5.041 -16.979  -0.624
  231   2HB1  AIB  32          2HB1      AIB  32  -5.896 -17.946   0.607
  232   3HB1  AIB  32          3HB1      AIB  32  -4.406 -17.091   1.041
  233   1HB2  AIB  32          1HB2      AIB  32  -7.630 -14.528  -0.290
  234   2HB2  AIB  32          2HB2      AIB  32  -6.794 -15.708  -1.313
  235   3HB2  AIB  32          3HB2      AIB  32  -5.929 -14.250  -0.755
  236    H    ARG  33           H        ARG  33  -6.252 -16.386   3.373
  237    HA   ARG  33           HA       ARG  33  -9.139 -16.680   3.198
  238   1HB   ARG  33          HB1       ARG  33  -7.568 -18.450   5.079
  239   2HB   ARG  33          HB2       ARG  33  -9.122 -18.750   4.327
  240   1HG   ARG  33          HG1       ARG  33  -6.488 -18.654   2.784
  241   2HG   ARG  33          HG2       ARG  33  -7.207 -20.135   3.385
  242   1HD   ARG  33          HD1       ARG  33  -8.931 -18.305   1.710
  243   2HD   ARG  33          HD2       ARG  33  -7.699 -19.247   0.894
  244    HE   ARG  33           HE       ARG  33 -10.144 -20.272   2.125
  245   1HH1  ARG  33          HH1       ARG  33  -9.328 -23.599   1.463
  246   2HH1  ARG  33          HH1       ARG  33 -10.584 -22.507   1.941
  247   1HH2  ARG  33          HH2       ARG  33  -7.199 -22.794   1.010
  248   2HH2  ARG  33          HH2       ARG  33  -6.866 -21.100   1.150
  249    H    GLN  34           H        GLN  34  -6.199 -16.181   5.235
  250    HA   GLN  34           HA       GLN  34  -7.383 -15.648   7.614
  251   1HB   GLN  34          HB1       GLN  34  -4.845 -14.778   6.270
  252   2HB   GLN  34          HB2       GLN  34  -5.306 -13.910   7.721
  253   1HG   GLN  34          HG1       GLN  34  -4.138 -15.642   8.719
  254   2HG   GLN  34          HG2       GLN  34  -5.718 -16.397   8.662
  255   1HE2  GLN  34          1HE2      GLN  34  -2.482 -16.519   7.678
  256   2HE2  GLN  34          2HE2      GLN  34  -2.550 -17.876   6.604
  257    H    ARG  35           H        ARG  35  -7.570 -13.832   4.646
  258    HA   ARG  35           HA       ARG  35  -8.227 -11.395   5.993
  259   1HB   ARG  35          HB1       ARG  35  -7.153 -11.974   3.506
  260   2HB   ARG  35          HB2       ARG  35  -8.822 -11.656   3.077
  261   1HG   ARG  35          HG1       ARG  35  -8.261  -9.586   4.866
  262   2HG   ARG  35          HG2       ARG  35  -6.733  -9.783   4.031
  263   1HD   ARG  35          HD1       ARG  35  -7.662  -8.456   2.415
  264   2HD   ARG  35          HD2       ARG  35  -8.504  -9.908   1.909
  265    HE   ARG  35           HE       ARG  35 -10.500  -9.094   2.881
  266   1HH1  ARG  35          HH1       ARG  35 -11.084  -6.006   4.398
  267   2HH1  ARG  35          HH1       ARG  35 -11.814  -7.430   3.735
  268   1HH2  ARG  35          HH2       ARG  35  -8.774  -5.788   4.419
  269   2HH2  ARG  35          HH2       ARG  35  -7.779  -7.049   3.772
  270    H    TYR  36           H        TYR  36  -9.854 -14.067   6.113
  271    HA   TYR  36           HA       TYR  36 -12.420 -12.802   5.990
  272   1HB   TYR  36          HB1       TYR  36 -11.907 -15.327   4.330
  273   2HB   TYR  36          HB2       TYR  36 -13.298 -14.266   4.236
  274    HD1  TYR  36           HD1      TYR  36  -9.851 -14.819   3.141
  275    HD2  TYR  36           HD2      TYR  36 -13.157 -12.106   3.040
  276    HE1  TYR  36           HE1      TYR  36  -8.775 -13.569   1.206
  277    HE2  TYR  36           HE2      TYR  36 -12.071 -10.865   1.106
  278    HH   TYR  36           HH       TYR  36  -9.023 -12.023  -0.294
  279   1HN   NH2  37          HN1       NH2 237 -10.919 -16.048   5.850
  280   2HN   NH2  37          HN2       NH2 237 -11.661 -16.670   7.286
  Start of MODEL   10
    1    H    TYR   1           H        TYR   1   3.798   3.838 -21.285
    2    HA   TYR   1           HA       TYR   1   4.998   4.014 -18.789
    3   1HB   TYR   1          HB1       TYR   1   6.792   2.739 -20.920
    4   2HB   TYR   1          HB2       TYR   1   7.105   2.846 -19.199
    5    HD1  TYR   1           HD1      TYR   1   5.291   1.015 -21.826
    6    HD2  TYR   1           HD2      TYR   1   6.126   1.246 -17.636
    7    HE1  TYR   1           HE1      TYR   1   4.360  -1.329 -21.504
    8    HE2  TYR   1           HE2      TYR   1   5.192  -1.099 -17.328
    9    HH   TYR   1           HH       TYR   1   3.478  -2.703 -19.862
   10    HA   PRO   2           HA       PRO   2   5.791   7.237 -21.930
   11   1HB   PRO   2          HB1       PRO   2   4.173   9.204 -20.940
   12   2HB   PRO   2          HB2       PRO   2   3.686   8.121 -22.229
   13   1HG   PRO   2          HG1       PRO   2   2.866   8.109 -19.389
   14   2HG   PRO   2          HG2       PRO   2   2.094   7.335 -20.758
   15   1HD   PRO   2          HD1       PRO   2   3.706   6.066 -18.753
   16   2HD   PRO   2          HD2       PRO   2   3.030   5.315 -20.185
   17    H    SER   3           H        SER   3   6.442   9.690 -21.509
   18    HA   SER   3           HA       SER   3   8.292   9.395 -19.307
   19   1HB   SER   3          HB1       SER   3   8.517  10.438 -21.915
   20   2HB   SER   3          HB2       SER   3   8.535  11.858 -20.888
   21    HG   SER   3           HG       SER   3  10.393   9.706 -21.043
   22    H    LYS   4           H        LYS   4   8.663  11.313 -17.839
   23    HA   LYS   4           HA       LYS   4   6.154  12.799 -17.474
   24   1HB   LYS   4          HB1       LYS   4   8.027  12.258 -15.198
   25   2HB   LYS   4          HB2       LYS   4   6.299  12.548 -15.180
   26   1HG   LYS   4          HG1       LYS   4   6.322  10.258 -16.652
   27   2HG   LYS   4          HG2       LYS   4   7.795  10.004 -15.738
   28   1HD   LYS   4          HD1       LYS   4   5.856  10.968 -13.868
   29   2HD   LYS   4          HD2       LYS   4   5.035   9.769 -14.847
   30   1HE   LYS   4          HE1       LYS   4   7.737   9.300 -13.499
   31   2HE   LYS   4          HE2       LYS   4   6.204   8.822 -12.800
   32   1HZ   LYS   4          HZ1       LYS   4   5.814   7.400 -14.645
   33   2HZ   LYS   4          HZ2       LYS   4   7.138   7.934 -15.439
   34   3HZ   LYS   4          HZ3       LYS   4   7.304   7.064 -14.067
   35    HA   PRO   5           HA       PRO   5   8.490  16.414 -17.766
   36   1HB   PRO   5          HB1       PRO   5   7.112  18.158 -16.176
   37   2HB   PRO   5          HB2       PRO   5   6.606  17.738 -17.800
   38   1HG   PRO   5          HG1       PRO   5   5.474  16.849 -15.218
   39   2HG   PRO   5          HG2       PRO   5   4.748  16.795 -16.812
   40   1HD   PRO   5          HD1       PRO   5   5.890  14.594 -15.370
   41   2HD   PRO   5          HD2       PRO   5   5.269  14.564 -17.008
   42    H    ASP   6           H        ASP   6   7.690  15.654 -14.424
   43    HA   ASP   6           HA       ASP   6   8.967  15.537 -12.667
   44   1HB   ASP   6          HB1       ASP   6  11.460  16.339 -14.188
   45   2HB   ASP   6          HB2       ASP   6  11.325  15.267 -12.808
   46    H    ASN   7           H        ASN   7   8.019  17.482 -11.769
   47    HA   ASN   7           HA       ASN   7   9.839  19.716 -11.785
   48   1HB   ASN   7          HB1       ASN   7   7.056  19.729 -12.919
   49   2HB   ASN   7          HB2       ASN   7   7.460  21.092 -11.896
   50   1HD2  ASN   7          HD2       ASN   7   7.478  19.935 -14.972
   51   2HD2  ASN   7          HD2       ASN   7   8.683  20.940 -15.705
   52    HA   PRO   8           HA       PRO   8   8.397  19.843  -7.646
   53   1HB   PRO   8          HB1       PRO   8   8.862  22.436  -6.919
   54   2HB   PRO   8          HB2       PRO   8  10.120  21.218  -6.979
   55   1HG   PRO   8          HG1       PRO   8   9.591  23.429  -8.868
   56   2HG   PRO   8          HG2       PRO   8  11.052  22.482  -8.667
   57   1HD   PRO   8          HD1       PRO   8   9.107  22.214 -10.758
   58   2HD   PRO   8          HD2       PRO   8  10.506  21.193 -10.491
   59    H    GLY   9           H        GLY   9   6.230  19.479  -8.943
   60   1HA   GLY   9          HA1       GLY   9   4.292  20.917  -7.466
   61   2HA   GLY   9          HA2       GLY   9   4.401  21.569  -9.089
   62    H    GLU  10           H        GLU  10   4.720  19.573 -10.827
   63    HA   GLU  10           HA       GLU  10   2.320  18.450 -11.128
   64   1HB   GLU  10          HB1       GLU  10   3.509  18.060 -13.030
   65   2HB   GLU  10          HB2       GLU  10   5.032  17.948 -12.169
   66   1HG   GLU  10          HG1       GLU  10   4.487  15.783 -13.223
   67   2HG   GLU  10          HG2       GLU  10   4.499  15.621 -11.478
   68    H    ASP  11           H        ASP  11   5.140  17.013  -9.376
   69    HA   ASP  11           HA       ASP  11   4.279  14.548  -8.897
   70   1HB   ASP  11          HB1       ASP  11   5.419  14.755  -6.629
   71   2HB   ASP  11          HB2       ASP  11   6.385  15.281  -7.994
   72    H    ALA  12           H        ALA  12   2.970  13.514  -7.180
   73    HA   ALA  12           HA       ALA  12   1.467  15.159  -5.385
   74   1HB   ALA  12          HB1       ALA  12  -0.586  15.154  -6.392
   75   2HB   ALA  12          HB2       ALA  12   0.394  15.067  -7.875
   76   3HB   ALA  12          HB3       ALA  12  -0.311  13.585  -7.186
   77    HA   PRO  13           HA       PRO  13   1.343  11.361  -3.321
   78   1HB   PRO  13          HB1       PRO  13  -0.922  11.521  -1.800
   79   2HB   PRO  13          HB2       PRO  13   0.578  12.321  -1.373
   80   1HG   PRO  13          HG1       PRO  13  -1.899  13.496  -2.479
   81   2HG   PRO  13          HG2       PRO  13  -0.574  14.299  -1.661
   82   1HD   PRO  13          HD1       PRO  13  -1.092  14.282  -4.482
   83   2HD   PRO  13          HD2       PRO  13   0.295  14.987  -3.676
   84    H    ALA  14           H        ALA  14  -1.022  12.078  -5.578
   85    HA   ALA  14           HA       ALA  14  -2.528   9.693  -5.323
   86   1HB   ALA  14          HB1       ALA  14  -2.638  10.679  -7.989
   87   2HB   ALA  14          HB2       ALA  14  -3.812  10.942  -6.677
   88   3HB   ALA  14          HB3       ALA  14  -2.481  12.097  -6.925
   89    H    GLU  15           H        GLU  15   0.484  10.646  -6.983
   90    HA   GLU  15           HA       GLU  15   0.519   8.229  -8.503
   91   1HB   GLU  15          HB1       GLU  15   1.478  10.466  -9.268
   92   2HB   GLU  15          HB2       GLU  15   2.767  10.247  -8.100
   93   1HG   GLU  15          HG1       GLU  15   2.736   7.792  -9.438
   94   2HG   GLU  15          HG2       GLU  15   2.358   8.927 -10.718
   95    H    ASP  16           H        ASP  16   1.335   9.198  -5.300
   96    HA   ASP  16           HA       ASP  16   3.468   7.304  -5.044
   97   1HB   ASP  16          HB1       ASP  16   2.073   9.277  -3.221
   98   2HB   ASP  16          HB2       ASP  16   3.040   8.005  -2.503
   99    H    LEU  17           H        LEU  17   0.083   7.861  -3.844
  100    HA   LEU  17           HA       LEU  17  -0.190   5.677  -2.221
  101   1HB   LEU  17          HB1       LEU  17  -1.786   7.702  -3.161
  102   2HB   LEU  17          HB2       LEU  17  -2.542   6.288  -3.867
  103    HG   LEU  17           HG       LEU  17  -2.033   5.626  -1.163
  104   1HD1  LEU  17          HD1       LEU  17  -1.912   7.623  -0.144
  105   2HD1  LEU  17          HD1       LEU  17  -2.623   8.493  -1.525
  106   3HD1  LEU  17          HD1       LEU  17  -3.678   7.644  -0.369
  107   1HD2  LEU  17          HD2       LEU  17  -4.317   5.934  -2.992
  108   2HD2  LEU  17          HD2       LEU  17  -3.931   4.641  -1.831
  109   3HD2  LEU  17          HD2       LEU  17  -4.716   6.137  -1.270
  110    H    ALA  18           H        ALA  18   0.166   5.823  -5.707
  111    HA   ALA  18           HA       ALA  18  -1.099   3.445  -6.406
  112   1HB   ALA  18          HB1       ALA  18  -0.529   4.539  -8.309
  113   2HB   ALA  18          HB2       ALA  18   0.867   5.336  -7.545
  114   3HB   ALA  18          HB3       ALA  18   1.017   3.671  -8.156
  115    H    ARG  19           H        ARG  19   2.318   4.126  -5.401
  116    HA   ARG  19           HA       ARG  19   3.217   1.558  -5.696
  117   1HB   ARG  19          HB1       ARG  19   5.116   2.251  -4.386
  118   2HB   ARG  19          HB2       ARG  19   4.564   3.696  -5.209
  119   1HG   ARG  19          HG1       ARG  19   4.489   4.682  -3.161
  120   2HG   ARG  19          HG2       ARG  19   3.050   3.728  -2.861
  121   1HD   ARG  19          HD1       ARG  19   4.133   2.310  -1.414
  122   2HD   ARG  19          HD2       ARG  19   5.563   2.213  -2.422
  123    HE   ARG  19           HE       ARG  19   5.764   4.764  -1.465
  124   1HH1  ARG  19          HH1       ARG  19   6.758   4.327   1.851
  125   2HH1  ARG  19          HH1       ARG  19   6.717   5.418   0.506
  126   1HH2  ARG  19          HH2       ARG  19   5.845   2.203   1.651
  127   2HH2  ARG  19          HH2       ARG  19   5.123   1.708   0.157
  128    H    TYR  20           H        TYR  20   1.054   2.959  -3.332
  129    HA   TYR  20           HA       TYR  20   1.523   0.810  -1.420
  130   1HB   TYR  20          HB1       TYR  20   1.196   2.934  -0.365
  131   2HB   TYR  20          HB2       TYR  20   0.120   3.496  -1.629
  132    HD1  TYR  20           HD1      TYR  20  -2.197   3.515  -1.274
  133    HD2  TYR  20           HD2      TYR  20   0.276   1.067   1.215
  134    HE1  TYR  20           HE1      TYR  20  -4.197   2.983   0.202
  135    HE2  TYR  20           HE2      TYR  20  -1.732   0.543   2.683
  136    HH   TYR  20           HH       TYR  20  -3.897   0.694   2.888
  137    H    TYR  21           H        TYR  21  -0.389   1.477  -4.194
  138    HA   TYR  21           HA       TYR  21  -2.587  -0.196  -3.229
  139   1HB   TYR  21          HB1       TYR  21  -2.094   2.035  -5.108
  140   2HB   TYR  21          HB2       TYR  21  -2.882   0.714  -5.948
  141    HD1  TYR  21           HD1      TYR  21  -5.184   0.865  -6.089
  142    HD2  TYR  21           HD2      TYR  21  -3.232   2.448  -2.627
  143    HE1  TYR  21           HE1      TYR  21  -7.427   1.621  -5.161
  144    HE2  TYR  21           HE2      TYR  21  -5.481   3.199  -1.711
  145    HH   TYR  21           HH       TYR  21  -8.461   2.231  -3.231
  146    H    SER  22           H        SER  22   0.195  -0.117  -5.433
  147    HA   SER  22           HA       SER  22  -0.722  -2.389  -6.886
  148   1HB   SER  22          HB1       SER  22   0.667  -0.703  -8.000
  149   2HB   SER  22          HB2       SER  22   1.950  -0.923  -6.827
  150    HG   SER  22           HG       SER  22   1.222  -2.532  -9.035
  151    H    ALA  23           H        ALA  23   1.389  -1.656  -4.106
  152    HA   ALA  23           HA       ALA  23   2.487  -4.318  -4.041
  153   1HB   ALA  23          HB1       ALA  23   2.708  -2.484  -1.701
  154   2HB   ALA  23          HB2       ALA  23   3.962  -3.433  -2.534
  155   3HB   ALA  23          HB3       ALA  23   3.400  -1.896  -3.232
  156    H    LEU  24           H        LEU  24  -0.326  -2.590  -2.864
  157    HA   LEU  24           HA       LEU  24  -0.829  -4.111  -0.568
  158   1HB   LEU  24          HB1       LEU  24  -2.394  -2.583  -0.374
  159   2HB   LEU  24          HB2       LEU  24  -1.994  -1.976  -1.968
  160    HG   LEU  24           HG       LEU  24  -4.344  -2.358  -1.896
  161   1HD1  LEU  24          HD1       LEU  24  -2.635  -3.729  -3.721
  162   2HD1  LEU  24          HD1       LEU  24  -4.075  -4.736  -3.436
  163   3HD1  LEU  24          HD1       LEU  24  -4.261  -3.057  -3.996
  164   1HD2  LEU  24          HD2       LEU  24  -5.300  -3.888  -0.609
  165   2HD2  LEU  24          HD2       LEU  24  -4.552  -5.199  -1.554
  166   3HD2  LEU  24          HD2       LEU  24  -3.687  -4.497  -0.166
  167    H    ARG  25           H        ARG  25  -0.757  -4.979  -3.886
  168    HA   ARG  25           HA       ARG  25  -2.805  -6.943  -3.665
  169   1HB   ARG  25          HB1       ARG  25  -2.010  -5.662  -5.807
  170   2HB   ARG  25          HB2       ARG  25  -0.678  -6.800  -5.844
  171   1HG   ARG  25          HG1       ARG  25  -2.313  -7.817  -7.230
  172   2HG   ARG  25          HG2       ARG  25  -2.479  -8.670  -5.708
  173   1HD   ARG  25          HD1       ARG  25  -4.243  -6.662  -5.229
  174   2HD   ARG  25          HD2       ARG  25  -4.335  -6.670  -6.979
  175    HE   ARG  25           HE       ARG  25  -4.512  -9.362  -5.893
  176   1HH1  ARG  25          HH1       ARG  25  -7.973  -9.565  -6.285
  177   2HH1  ARG  25          HH1       ARG  25  -6.516 -10.455  -5.993
  178   1HH2  ARG  25          HH2       ARG  25  -7.890  -7.264  -6.574
  179   2HH2  ARG  25          HH2       ARG  25  -6.370  -6.436  -6.499
  180    H    HIS  26           H        HIS  26   0.782  -7.047  -4.336
  181    HA   HIS  26           HA       HIS  26   1.034  -9.777  -3.977
  182   1HB   HIS  26          HB1       HIS  26   2.651  -7.774  -4.814
  183   2HB   HIS  26          HB2       HIS  26   3.328  -8.047  -3.221
  184    HD1  HIS  26           HD1      HIS  26   3.784  -9.112  -6.579
  185    HD2  HIS  26           HD2      HIS  26   3.775 -11.091  -2.880
  186    HE1  HIS  26           HE1      HIS  26   5.030 -11.310  -6.940
  187    H    TYR  27           H        TYR  27   0.615  -7.166  -1.672
  188    HA   TYR  27           HA       TYR  27   1.698  -8.655   0.540
  189   1HB   TYR  27          HB1       TYR  27   1.834  -6.283   0.772
  190   2HB   TYR  27          HB2       TYR  27   0.340  -6.022  -0.106
  191    HD1  TYR  27           HD1      TYR  27  -0.804  -4.571   1.374
  192    HD2  TYR  27           HD2      TYR  27   0.801  -8.255   2.844
  193    HE1  TYR  27           HE1      TYR  27  -2.033  -4.237   3.575
  194    HE2  TYR  27           HE2      TYR  27  -0.433  -7.908   5.040
  195    HH   TYR  27           HH       TYR  27  -1.306  -5.997   6.330
  196    H    ILE  28           H        ILE  28  -1.540  -7.835  -0.818
  197    HA   ILE  28           HA       ILE  28  -2.846  -9.220   1.351
  198    HB   ILE  28           HB       ILE  28  -3.785  -7.726  -1.086
  199   1HG1  ILE  28          1HG1      ILE  28  -2.960  -6.427   0.858
  200   2HG1  ILE  28          2HG1      ILE  28  -4.650  -6.139   0.495
  201   1HG2  ILE  28          1HG2      ILE  28  -6.090  -8.112   0.197
  202   2HG2  ILE  28          2HG2      ILE  28  -5.504  -9.214  -1.072
  203   3HG2  ILE  28          3HG2      ILE  28  -5.282  -9.634   0.643
  204   1HD1  ILE  28          1HD1      ILE  28  -4.359  -8.383   2.356
  205   2HD1  ILE  28          2HD1      ILE  28  -3.578  -6.912   2.982
  206   3HD1  ILE  28          3HD1      ILE  28  -5.301  -6.883   2.536
  207    H    ASN  29           H        ASN  29  -1.167 -10.129  -1.417
  208    HA   ASN  29           HA       ASN  29  -2.831 -11.981  -2.574
  209   1HB   ASN  29          HB1       ASN  29  -0.595 -11.227  -3.474
  210   2HB   ASN  29          HB2       ASN  29   0.209 -12.130  -2.206
  211   1HD2  ASN  29          HD2       ASN  29   1.266 -13.203  -3.978
  212   2HD2  ASN  29          HD2       ASN  29   0.518 -14.551  -4.767
  213    H    LEU  30           H        LEU  30  -1.371 -11.875   0.567
  214    HA   LEU  30           HA       LEU  30  -1.507 -14.783   0.862
  215   1HB   LEU  30          HB1       LEU  30   0.484 -14.361   1.763
  216   2HB   LEU  30          HB2       LEU  30   0.151 -12.654   1.977
  217    HG   LEU  30           HG       LEU  30  -1.142 -13.189   4.036
  218   1HD1  LEU  30          HD1       LEU  30  -1.096 -15.803   3.044
  219   2HD1  LEU  30          HD1       LEU  30  -0.043 -15.831   4.479
  220   3HD1  LEU  30          HD1       LEU  30  -1.721 -15.252   4.617
  221   1HD2  LEU  30          HD2       LEU  30   1.770 -13.713   3.710
  222   2HD2  LEU  30          HD2       LEU  30   0.921 -12.467   4.655
  223   3HD2  LEU  30          HD2       LEU  30   1.026 -14.134   5.271
  224    H    ALA  31           H        ALA  31  -3.224 -11.838   1.441
  225    HA   ALA  31           HA       ALA  31  -4.690 -12.986   3.682
  226   1HB   ALA  31          HB1       ALA  31  -4.695 -10.822   4.290
  227   2HB   ALA  31          HB2       ALA  31  -4.013 -10.333   2.720
  228   3HB   ALA  31          HB3       ALA  31  -5.776 -10.489   2.915
  229   1HN   AIB  32          1HN       AIB  32  -5.109 -14.626   1.603
  230   1HB1  AIB  32          1HB1      AIB  32  -7.327 -16.346  -0.640
  231   2HB1  AIB  32          2HB1      AIB  32  -5.858 -16.449   0.367
  232   3HB1  AIB  32          3HB1      AIB  32  -5.849 -15.456  -1.101
  233   1HB2  AIB  32          1HB2      AIB  32  -8.343 -12.872   0.129
  234   2HB2  AIB  32          2HB2      AIB  32  -7.915 -13.831  -1.298
  235   3HB2  AIB  32          3HB2      AIB  32  -6.710 -12.728  -0.579
  236    H    ARG  33           H        ARG  33  -6.824 -15.599   3.000
  237    HA   ARG  33           HA       ARG  33  -9.695 -15.478   3.296
  238   1HB   ARG  33          HB1       ARG  33  -8.300 -17.991   4.233
  239   2HB   ARG  33          HB2       ARG  33  -9.978 -17.769   3.780
  240   1HG   ARG  33          HG1       ARG  33  -8.960 -17.266   1.369
  241   2HG   ARG  33          HG2       ARG  33  -7.565 -18.127   1.988
  242   1HD   ARG  33          HD1       ARG  33  -8.814 -19.882   1.046
  243   2HD   ARG  33          HD2       ARG  33  -9.318 -19.962   2.723
  244    HE   ARG  33           HE       ARG  33 -11.155 -18.215   1.650
  245   1HH1  ARG  33          HH1       ARG  33 -13.323 -20.349  -0.061
  246   2HH1  ARG  33          HH1       ARG  33 -13.140 -18.792   0.676
  247   1HH2  ARG  33          HH2       ARG  33 -11.551 -21.849  -0.059
  248   2HH2  ARG  33          HH2       ARG  33 -10.047 -21.411   0.679
  249    H    GLN  34           H        GLN  34  -6.470 -16.265   4.746
  250    HA   GLN  34           HA       GLN  34  -7.129 -16.263   7.362
  251   1HB   GLN  34          HB1       GLN  34  -4.768 -16.201   5.842
  252   2HB   GLN  34          HB2       GLN  34  -4.629 -14.792   6.876
  253   1HG   GLN  34          HG1       GLN  34  -5.545 -17.386   8.121
  254   2HG   GLN  34          HG2       GLN  34  -3.850 -17.222   7.710
  255   1HE2  GLN  34          1HE2      GLN  34  -3.860 -17.516  10.133
  256   2HE2  GLN  34          2HE2      GLN  34  -3.857 -16.089  11.114
  257    H    ARG  35           H        ARG  35  -7.210 -13.581   5.113
  258    HA   ARG  35           HA       ARG  35  -7.169 -11.659   7.248
  259   1HB   ARG  35          HB1       ARG  35  -6.460 -11.597   4.521
  260   2HB   ARG  35          HB2       ARG  35  -7.943 -10.666   4.574
  261   1HG   ARG  35          HG1       ARG  35  -5.719 -10.158   6.583
  262   2HG   ARG  35          HG2       ARG  35  -5.672  -9.426   4.992
  263   1HD   ARG  35          HD1       ARG  35  -8.325  -8.999   5.964
  264   2HD   ARG  35          HD2       ARG  35  -7.261  -8.653   7.313
  265    HE   ARG  35           HE       ARG  35  -6.080  -7.390   5.097
  266   1HH1  ARG  35          HH1       ARG  35  -7.839  -4.376   5.159
  267   2HH1  ARG  35          HH1       ARG  35  -6.416  -5.186   4.594
  268   1HH2  ARG  35          HH2       ARG  35  -9.404  -5.529   6.427
  269   2HH2  ARG  35          HH2       ARG  35  -9.149  -7.199   6.808
  270    H    TYR  36           H        TYR  36  -9.338 -13.723   7.060
  271    HA   TYR  36           HA       TYR  36 -11.550 -11.947   7.387
  272   1HB   TYR  36          HB1       TYR  36 -12.088 -12.129   5.109
  273   2HB   TYR  36          HB2       TYR  36 -10.984 -13.470   4.881
  274    HD1  TYR  36           HD1      TYR  36 -14.127 -12.981   6.891
  275    HD2  TYR  36           HD2      TYR  36 -12.042 -15.318   3.976
  276    HE1  TYR  36           HE1      TYR  36 -16.094 -14.586   6.760
  277    HE2  TYR  36           HE2      TYR  36 -14.016 -16.915   3.855
  278    HH   TYR  36           HH       TYR  36 -17.039 -16.154   5.279
  279   1HN   NH2  37          HN1       NH2 237 -10.699 -15.335   6.627
  280   2HN   NH2  37          HN2       NH2 237 -11.533 -16.054   7.964
  Start of MODEL   11
    1    H    TYR   1           H        TYR   1  21.806   7.153 -11.318
    2    HA   TYR   1           HA       TYR   1  22.113   8.930 -10.022
    3   1HB   TYR   1          HB1       TYR   1  20.617  10.635 -12.071
    4   2HB   TYR   1          HB2       TYR   1  21.998  11.102 -11.099
    5    HD1  TYR   1           HD1      TYR   1  24.112   9.327 -11.588
    6    HD2  TYR   1           HD2      TYR   1  21.070  10.550 -14.336
    7    HE1  TYR   1           HE1      TYR   1  25.655   8.805 -13.540
    8    HE2  TYR   1           HE2      TYR   1  22.623  10.024 -16.279
    9    HH   TYR   1           HH       TYR   1  25.086   9.905 -16.630
   10    HA   PRO   2           HA       PRO   2  18.344   9.507  -7.982
   11   1HB   PRO   2          HB1       PRO   2  18.935  11.537  -6.249
   12   2HB   PRO   2          HB2       PRO   2  19.395   9.870  -5.966
   13   1HG   PRO   2          HG1       PRO   2  21.085  12.138  -6.824
   14   2HG   PRO   2          HG2       PRO   2  21.575  10.604  -6.135
   15   1HD   PRO   2          HD1       PRO   2  21.734  11.375  -8.893
   16   2HD   PRO   2          HD2       PRO   2  22.115   9.802  -8.221
   17    H    SER   3           H        SER   3  16.580  11.105  -7.299
   18    HA   SER   3           HA       SER   3  15.543  12.204  -9.478
   19   1HB   SER   3          HB1       SER   3  14.387  13.859  -7.852
   20   2HB   SER   3          HB2       SER   3  14.175  12.145  -7.553
   21    HG   SER   3           HG       SER   3  15.064  12.421  -5.634
   22    H    LYS   4           H        LYS   4  15.913  13.963 -10.811
   23    HA   LYS   4           HA       LYS   4  18.252  15.523 -10.315
   24   1HB   LYS   4          HB1       LYS   4  16.322  16.175 -12.505
   25   2HB   LYS   4          HB2       LYS   4  18.074  16.184 -12.513
   26   1HG   LYS   4          HG1       LYS   4  17.911  14.178 -13.585
   27   2HG   LYS   4          HG2       LYS   4  17.550  13.510 -12.005
   28   1HD   LYS   4          HD1       LYS   4  15.329  13.194 -12.498
   29   2HD   LYS   4          HD2       LYS   4  15.193  14.722 -13.346
   30   1HE   LYS   4          HE1       LYS   4  16.828  13.320 -15.075
   31   2HE   LYS   4          HE2       LYS   4  15.863  12.016 -14.411
   32   1HZ   LYS   4          HZ1       LYS   4  14.106  12.727 -15.519
   33   2HZ   LYS   4          HZ2       LYS   4  14.293  14.283 -15.059
   34   3HZ   LYS   4          HZ3       LYS   4  15.098  13.714 -16.361
   35    HA   PRO   5           HA       PRO   5  14.923  18.816  -9.639
   36   1HB   PRO   5          HB1       PRO   5  12.318  18.064  -9.297
   37   2HB   PRO   5          HB2       PRO   5  12.966  18.602 -10.833
   38   1HG   PRO   5          HG1       PRO   5  12.293  15.858  -9.963
   39   2HG   PRO   5          HG2       PRO   5  12.528  16.467 -11.590
   40   1HD   PRO   5          HD1       PRO   5  14.380  14.900 -10.059
   41   2HD   PRO   5          HD2       PRO   5  14.660  15.606 -11.638
   42    H    ASP   6           H        ASP   6  14.856  15.829  -7.983
   43    HA   ASP   6           HA       ASP   6  14.921  15.330  -5.875
   44   1HB   ASP   6          HB1       ASP   6  15.349  18.222  -5.074
   45   2HB   ASP   6          HB2       ASP   6  16.015  16.779  -4.335
   46    H    ASN   7           H        ASN   7  13.785  15.800  -3.632
   47    HA   ASN   7           HA       ASN   7  11.835  15.910  -2.649
   48   1HB   ASN   7          HB1       ASN   7  12.845  18.332  -2.579
   49   2HB   ASN   7          HB2       ASN   7  11.617  18.745  -3.759
   50   1HD2  ASN   7          HD2       ASN   7  10.387  20.054  -2.545
   51   2HD2  ASN   7          HD2       ASN   7   9.490  19.574  -1.144
   52    HA   PRO   8           HA       PRO   8   9.222  15.359  -6.303
   53   1HB   PRO   8          HB1       PRO   8   8.103  12.980  -5.557
   54   2HB   PRO   8          HB2       PRO   8   9.559  13.092  -6.526
   55   1HG   PRO   8          HG1       PRO   8   9.284  12.388  -3.668
   56   2HG   PRO   8          HG2       PRO   8  10.637  12.099  -4.744
   57   1HD   PRO   8          HD1       PRO   8  10.452  14.130  -2.727
   58   2HD   PRO   8          HD2       PRO   8  11.753  13.914  -3.880
   59    H    GLY   9           H        GLY   9   7.165  16.032  -6.726
   60   1HA   GLY   9          HA1       GLY   9   4.970  15.695  -5.177
   61   2HA   GLY   9          HA2       GLY   9   5.777  17.048  -4.411
   62    H    GLU  10           H        GLU  10   4.973  15.895  -7.770
   63    HA   GLU  10           HA       GLU  10   4.460  18.683  -8.425
   64   1HB   GLU  10          HB1       GLU  10   4.595  16.514 -10.515
   65   2HB   GLU  10          HB2       GLU  10   5.033  18.205 -10.647
   66   1HG   GLU  10          HG1       GLU  10   7.163  17.302 -10.521
   67   2HG   GLU  10          HG2       GLU  10   6.869  17.528  -8.808
   68    H    ASP  11           H        ASP  11   2.426  18.015  -6.955
   69    HA   ASP  11           HA       ASP  11   0.319  17.470  -6.787
   70   1HB   ASP  11          HB1       ASP  11   0.468  18.658  -9.581
   71   2HB   ASP  11          HB2       ASP  11  -1.073  18.154  -8.915
   72    H    ALA  12           H        ALA  12   0.636  15.102  -6.693
   73    HA   ALA  12           HA       ALA  12  -0.891  13.652  -8.483
   74   1HB   ALA  12          HB1       ALA  12   0.987  12.324  -9.580
   75   2HB   ALA  12          HB2       ALA  12   0.765  13.983 -10.184
   76   3HB   ALA  12          HB3       ALA  12   2.093  13.617  -9.056
   77    HA   PRO  13           HA       PRO  13   0.293  11.782  -4.535
   78   1HB   PRO  13          HB1       PRO  13  -2.209  11.618  -3.446
   79   2HB   PRO  13          HB2       PRO  13  -1.115  12.952  -3.138
   80   1HG   PRO  13          HG1       PRO  13  -3.509  12.881  -4.870
   81   2HG   PRO  13          HG2       PRO  13  -2.666  14.273  -4.220
   82   1HD   PRO  13          HD1       PRO  13  -2.524  13.282  -6.908
   83   2HD   PRO  13          HD2       PRO  13  -1.593  14.602  -6.226
   84    H    ALA  14           H        ALA  14  -1.556  10.999  -7.195
   85    HA   ALA  14           HA       ALA  14  -2.373   8.420  -6.311
   86   1HB   ALA  14          HB1       ALA  14  -2.998   8.124  -8.667
   87   2HB   ALA  14          HB2       ALA  14  -3.522   9.723  -8.086
   88   3HB   ALA  14          HB3       ALA  14  -2.074   9.579  -9.112
   89    H    GLU  15           H        GLU  15   0.603   9.854  -7.448
   90    HA   GLU  15           HA       GLU  15   1.645   7.413  -8.469
   91   1HB   GLU  15          HB1       GLU  15   2.283   9.823  -9.165
   92   2HB   GLU  15          HB2       GLU  15   3.237   9.886  -7.696
   93   1HG   GLU  15          HG1       GLU  15   4.805   9.143  -9.298
   94   2HG   GLU  15          HG2       GLU  15   4.313   7.650  -8.524
   95    H    ASP  16           H        ASP  16   1.310   8.938  -5.347
   96    HA   ASP  16           HA       ASP  16   3.464   7.355  -4.254
   97   1HB   ASP  16          HB1       ASP  16   3.301   8.714  -2.326
   98   2HB   ASP  16          HB2       ASP  16   2.934   9.825  -3.631
   99    H    LEU  17           H        LEU  17  -0.097   7.708  -4.367
  100    HA   LEU  17           HA       LEU  17  -0.526   5.739  -2.312
  101   1HB   LEU  17          HB1       LEU  17  -1.983   7.840  -3.467
  102   2HB   LEU  17          HB2       LEU  17  -2.835   6.379  -3.928
  103    HG   LEU  17           HG       LEU  17  -3.792   7.225  -1.903
  104   1HD1  LEU  17          HD1       LEU  17  -3.795   5.293  -0.579
  105   2HD1  LEU  17          HD1       LEU  17  -3.387   4.715  -2.212
  106   3HD1  LEU  17          HD1       LEU  17  -2.108   4.896  -0.988
  107   1HD2  LEU  17          HD2       LEU  17  -2.243   8.616  -0.900
  108   2HD2  LEU  17          HD2       LEU  17  -2.272   7.225   0.210
  109   3HD2  LEU  17          HD2       LEU  17  -0.945   7.399  -0.964
  110    H    ALA  18           H        ALA  18   0.173   5.796  -5.700
  111    HA   ALA  18           HA       ALA  18  -1.272   3.458  -6.412
  112   1HB   ALA  18          HB1       ALA  18   0.564   3.598  -8.325
  113   2HB   ALA  18          HB2       ALA  18  -0.754   4.792  -8.237
  114   3HB   ALA  18          HB3       ALA  18   0.862   5.203  -7.615
  115    H    ARG  19           H        ARG  19   2.167   4.165  -5.506
  116    HA   ARG  19           HA       ARG  19   3.075   1.602  -5.820
  117   1HB   ARG  19          HB1       ARG  19   4.879   2.318  -4.154
  118   2HB   ARG  19          HB2       ARG  19   4.651   3.414  -5.503
  119   1HG   ARG  19          HG1       ARG  19   3.456   5.004  -4.170
  120   2HG   ARG  19          HG2       ARG  19   3.142   3.838  -2.900
  121   1HD   ARG  19          HD1       ARG  19   6.011   4.539  -3.586
  122   2HD   ARG  19          HD2       ARG  19   5.071   5.645  -2.605
  123    HE   ARG  19           HE       ARG  19   4.612   3.253  -1.341
  124   1HH1  ARG  19          HH1       ARG  19   7.591   2.688   0.387
  125   2HH1  ARG  19          HH1       ARG  19   5.901   2.321   0.300
  126   1HH2  ARG  19          HH2       ARG  19   8.547   4.128  -1.163
  127   2HH2  ARG  19          HH2       ARG  19   7.569   4.835  -2.406
  128    H    TYR  20           H        TYR  20   0.965   2.992  -3.404
  129    HA   TYR  20           HA       TYR  20   1.503   0.851  -1.499
  130   1HB   TYR  20          HB1       TYR  20   1.191   2.976  -0.440
  131   2HB   TYR  20          HB2       TYR  20   0.077   3.527  -1.675
  132    HD1  TYR  20           HD1      TYR  20   0.402   2.023   1.587
  133    HD2  TYR  20           HD2      TYR  20  -2.304   2.614  -1.674
  134    HE1  TYR  20           HE1      TYR  20  -1.562   1.486   3.109
  135    HE2  TYR  20           HE2      TYR  20  -4.258   2.075  -0.141
  136    HH   TYR  20           HH       TYR  20  -4.622   2.273   2.448
  137    H    TYR  21           H        TYR  21  -0.490   1.500  -4.220
  138    HA   TYR  21           HA       TYR  21  -2.649  -0.186  -3.192
  139   1HB   TYR  21          HB1       TYR  21  -2.223   2.044  -5.088
  140   2HB   TYR  21          HB2       TYR  21  -3.025   0.717  -5.903
  141    HD1  TYR  21           HD1      TYR  21  -3.756   3.700  -4.560
  142    HD2  TYR  21           HD2      TYR  21  -4.870  -0.392  -3.998
  143    HE1  TYR  21           HE1      TYR  21  -5.982   4.434  -3.576
  144    HE2  TYR  21           HE2      TYR  21  -7.093   0.355  -3.016
  145    HH   TYR  21           HH       TYR  21  -7.664   3.234  -1.838
  146    H    SER  22           H        SER  22   0.068  -0.091  -5.476
  147    HA   SER  22           HA       SER  22  -0.872  -2.373  -6.897
  148   1HB   SER  22          HB1       SER  22   0.607  -0.462  -7.809
  149   2HB   SER  22          HB2       SER  22   1.938  -1.206  -6.946
  150    HG   SER  22           HG       SER  22   2.042  -2.804  -8.394
  151    H    ALA  23           H        ALA  23   1.308  -1.619  -4.178
  152    HA   ALA  23           HA       ALA  23   2.428  -4.273  -4.139
  153   1HB   ALA  23          HB1       ALA  23   2.836  -1.664  -2.790
  154   2HB   ALA  23          HB2       ALA  23   3.125  -3.091  -1.765
  155   3HB   ALA  23          HB3       ALA  23   4.023  -2.893  -3.289
  156    H    LEU  24           H        LEU  24  -0.364  -2.564  -2.887
  157    HA   LEU  24           HA       LEU  24  -0.790  -4.085  -0.576
  158   1HB   LEU  24          HB1       LEU  24  -2.359  -2.566  -0.339
  159   2HB   LEU  24          HB2       LEU  24  -2.010  -1.960  -1.946
  160    HG   LEU  24           HG       LEU  24  -4.354  -2.357  -1.803
  161   1HD1  LEU  24          HD1       LEU  24  -4.114  -4.737  -3.346
  162   2HD1  LEU  24          HD1       LEU  24  -4.328  -3.061  -3.903
  163   3HD1  LEU  24          HD1       LEU  24  -2.690  -3.720  -3.676
  164   1HD2  LEU  24          HD2       LEU  24  -4.532  -5.199  -1.451
  165   2HD2  LEU  24          HD2       LEU  24  -3.631  -4.489  -0.090
  166   3HD2  LEU  24          HD2       LEU  24  -5.261  -3.892  -0.486
  167    H    ARG  25           H        ARG  25  -0.805  -4.957  -3.893
  168    HA   ARG  25           HA       ARG  25  -2.835  -6.931  -3.618
  169   1HB   ARG  25          HB1       ARG  25  -2.106  -5.656  -5.782
  170   2HB   ARG  25          HB2       ARG  25  -0.757  -6.773  -5.845
  171   1HG   ARG  25          HG1       ARG  25  -2.253  -8.008  -7.099
  172   2HG   ARG  25          HG2       ARG  25  -2.722  -8.594  -5.516
  173   1HD   ARG  25          HD1       ARG  25  -4.475  -6.738  -5.430
  174   2HD   ARG  25          HD2       ARG  25  -4.071  -6.349  -7.090
  175    HE   ARG  25           HE       ARG  25  -4.593  -9.150  -6.961
  176   1HH1  ARG  25          HH1       ARG  25  -7.996  -8.991  -7.715
  177   2HH1  ARG  25          HH1       ARG  25  -6.598 -10.011  -7.638
  178   1HH2  ARG  25          HH2       ARG  25  -7.832  -6.751  -7.131
  179   2HH2  ARG  25          HH2       ARG  25  -6.312  -6.098  -6.618
  180    H    HIS  26           H        HIS  26   0.732  -7.030  -4.385
  181    HA   HIS  26           HA       HIS  26   1.004  -9.755  -4.018
  182   1HB   HIS  26          HB1       HIS  26   2.592  -7.758  -4.908
  183   2HB   HIS  26          HB2       HIS  26   3.306  -8.005  -3.326
  184    HD1  HIS  26           HD1      HIS  26   5.427  -9.242  -3.893
  185    HD2  HIS  26           HD2      HIS  26   2.050 -10.914  -5.736
  186    HE1  HIS  26           HE1      HIS  26   6.214 -11.400  -5.004
  187    H    TYR  27           H        TYR  27   0.648  -7.132  -1.711
  188    HA   TYR  27           HA       TYR  27   1.780  -8.617   0.477
  189   1HB   TYR  27          HB1       TYR  27   1.928  -6.243   0.693
  190   2HB   TYR  27          HB2       TYR  27   0.409  -5.983  -0.140
  191    HD1  TYR  27           HD1      TYR  27   0.956  -8.206   2.803
  192    HD2  TYR  27           HD2      TYR  27  -0.691  -4.528   1.368
  193    HE1  TYR  27           HE1      TYR  27  -0.212  -7.851   5.033
  194    HE2  TYR  27           HE2      TYR  27  -1.853  -4.184   3.602
  195    HH   TYR  27           HH       TYR  27  -2.116  -4.910   5.622
  196    H    ILE  28           H        ILE  28  -1.485  -7.810  -0.815
  197    HA   ILE  28           HA       ILE  28  -2.738  -9.188   1.395
  198    HB   ILE  28           HB       ILE  28  -3.760  -7.705  -1.019
  199   1HG1  ILE  28          1HG1      ILE  28  -2.877  -6.295   0.747
  200   2HG1  ILE  28          2HG1      ILE  28  -4.620  -6.138   0.661
  201   1HG2  ILE  28          1HG2      ILE  28  -5.987  -8.055   0.452
  202   2HG2  ILE  28          2HG2      ILE  28  -5.522  -9.113  -0.902
  203   3HG2  ILE  28          3HG2      ILE  28  -5.169  -9.602   0.772
  204   1HD1  ILE  28          1HD1      ILE  28  -2.965  -7.621   2.728
  205   2HD1  ILE  28          2HD1      ILE  28  -4.188  -6.353   2.983
  206   3HD1  ILE  28          3HD1      ILE  28  -4.692  -7.991   2.501
  207    H    ASN  29           H        ASN  29  -1.156 -10.076  -1.446
  208    HA   ASN  29           HA       ASN  29  -2.860 -11.923  -2.550
  209   1HB   ASN  29          HB1       ASN  29  -0.810 -11.326  -3.707
  210   2HB   ASN  29          HB2       ASN  29   0.184 -11.790  -2.340
  211   1HD2  ASN  29          HD2       ASN  29   1.299 -13.528  -2.745
  212   2HD2  ASN  29          HD2       ASN  29   0.771 -14.950  -3.581
  213    H    LEU  30           H        LEU  30  -1.276 -11.838   0.533
  214    HA   LEU  30           HA       LEU  30  -1.378 -14.746   0.814
  215   1HB   LEU  30          HB1       LEU  30   0.624 -14.296   1.675
  216   2HB   LEU  30          HB2       LEU  30   0.265 -12.597   1.911
  217    HG   LEU  30           HG       LEU  30  -0.973 -13.170   3.993
  218   1HD1  LEU  30          HD1       LEU  30  -1.412 -15.253   4.675
  219   2HD1  LEU  30          HD1       LEU  30  -1.038 -15.730   3.002
  220   3HD1  LEU  30          HD1       LEU  30   0.217 -15.837   4.259
  221   1HD2  LEU  30          HD2       LEU  30   0.926 -12.702   5.036
  222   2HD2  LEU  30          HD2       LEU  30   1.525 -14.356   4.764
  223   3HD2  LEU  30          HD2       LEU  30   1.817 -13.093   3.545
  224    H    ALA  31           H        ALA  31  -3.133 -11.836   1.456
  225    HA   ALA  31           HA       ALA  31  -4.695 -13.244   3.510
  226   1HB   ALA  31          HB1       ALA  31  -3.487 -11.052   4.089
  227   2HB   ALA  31          HB2       ALA  31  -4.644 -10.254   2.998
  228   3HB   ALA  31          HB3       ALA  31  -5.231 -11.119   4.438
  229   1HN   AIB  32          1HN       AIB  32  -4.885 -13.662   0.594
  230   1HB1  AIB  32          1HB1      AIB  32  -6.850 -15.238  -0.985
  231   2HB1  AIB  32          2HB1      AIB  32  -5.384 -14.341  -1.462
  232   3HB1  AIB  32          3HB1      AIB  32  -6.921 -14.009  -2.279
  233   1HB2  AIB  32          1HB2      AIB  32  -7.452 -11.080  -0.122
  234   2HB2  AIB  32          2HB2      AIB  32  -7.720 -11.826  -1.706
  235   3HB2  AIB  32          3HB2      AIB  32  -6.065 -11.389  -1.202
  236    H    ARG  33           H        ARG  33  -7.086 -14.877   1.796
  237    HA   ARG  33           HA       ARG  33  -9.974 -14.618   1.633
  238   1HB   ARG  33          HB1       ARG  33  -8.145 -16.855   2.111
  239   2HB   ARG  33          HB2       ARG  33  -9.287 -16.721   3.434
  240   1HG   ARG  33          HG1       ARG  33 -10.545 -16.383   0.770
  241   2HG   ARG  33          HG2       ARG  33  -9.787 -17.949   0.979
  242   1HD   ARG  33          HD1       ARG  33 -11.955 -18.323   1.835
  243   2HD   ARG  33          HD2       ARG  33 -11.032 -18.014   3.292
  244    HE   ARG  33           HE       ARG  33 -11.989 -15.505   2.352
  245   1HH1  ARG  33          HH1       ARG  33 -14.994 -15.471   4.125
  246   2HH1  ARG  33          HH1       ARG  33 -13.834 -14.514   3.266
  247   1HH2  ARG  33          HH2       ARG  33 -14.675 -17.759   4.348
  248   2HH2  ARG  33          HH2       ARG  33 -13.276 -18.510   3.655
  249    H    GLN  34           H        GLN  34  -7.116 -14.501   3.816
  250    HA   GLN  34           HA       GLN  34  -8.356 -14.288   6.215
  251   1HB   GLN  34          HB1       GLN  34  -5.763 -13.399   5.060
  252   2HB   GLN  34          HB2       GLN  34  -6.245 -12.536   6.507
  253   1HG   GLN  34          HG1       GLN  34  -6.827 -15.207   7.139
  254   2HG   GLN  34          HG2       GLN  34  -5.350 -15.335   6.204
  255   1HE2  GLN  34          1HE2      GLN  34  -6.713 -14.681   9.196
  256   2HE2  GLN  34          2HE2      GLN  34  -5.339 -14.033  10.028
  257    H    ARG  35           H        ARG  35  -7.787 -11.734   3.736
  258    HA   ARG  35           HA       ARG  35  -9.098  -9.829   5.447
  259   1HB   ARG  35          HB1       ARG  35  -7.461  -9.721   2.926
  260   2HB   ARG  35          HB2       ARG  35  -8.646  -8.447   3.132
  261   1HG   ARG  35          HG1       ARG  35  -6.586  -9.194   5.259
  262   2HG   ARG  35          HG2       ARG  35  -6.341  -7.921   4.079
  263   1HD   ARG  35          HD1       ARG  35  -8.900  -7.834   5.663
  264   2HD   ARG  35          HD2       ARG  35  -7.422  -7.450   6.522
  265    HE   ARG  35           HE       ARG  35  -7.430  -6.022   4.037
  266   1HH1  ARG  35          HH1       ARG  35  -8.800  -3.068   5.291
  267   2HH1  ARG  35          HH1       ARG  35  -7.930  -3.793   3.981
  268   1HH2  ARG  35          HH2       ARG  35  -9.456  -4.360   7.104
  269   2HH2  ARG  35          HH2       ARG  35  -9.076  -6.049   7.147
  270    H    TYR  36           H        TYR  36 -10.501 -12.225   4.191
  271    HA   TYR  36           HA       TYR  36 -12.377 -12.726   3.115
  272   1HB   TYR  36          HB1       TYR  36 -13.123  -9.774   3.447
  273   2HB   TYR  36          HB2       TYR  36 -14.184 -11.160   3.603
  274    HD1  TYR  36           HD1      TYR  36 -12.956 -12.914   5.509
  275    HD2  TYR  36           HD2      TYR  36 -12.969  -8.636   5.458
  276    HE1  TYR  36           HE1      TYR  36 -12.624 -12.876   8.029
  277    HE2  TYR  36           HE2      TYR  36 -12.638  -8.612   7.979
  278    HH   TYR  36           HH       TYR  36 -11.478 -10.573   9.660
  279   1HN   NH2  37          HN1       NH2 237 -10.582 -12.485   1.285
  280   2HN   NH2  37          HN2       NH2 237 -11.095 -11.573  -0.095
  Start of MODEL   12
    1    H    TYR   1           H        TYR   1  25.631  -4.845  12.117
    2    HA   TYR   1           HA       TYR   1  23.616  -4.523  10.811
    3   1HB   TYR   1          HB1       TYR   1  23.922  -2.207  12.794
    4   2HB   TYR   1          HB2       TYR   1  22.506  -3.210  12.549
    5    HD1  TYR   1           HD1      TYR   1  25.356  -2.650  14.585
    6    HD2  TYR   1           HD2      TYR   1  22.771  -5.753  13.172
    7    HE1  TYR   1           HE1      TYR   1  26.063  -4.133  16.526
    8    HE2  TYR   1           HE2      TYR   1  23.486  -7.225  15.118
    9    HH   TYR   1           HH       TYR   1  25.108  -7.486  16.673
   10    HA   PRO   2           HA       PRO   2  23.527  -1.175   8.075
   11   1HB   PRO   2          HB1       PRO   2  20.850  -0.893   7.600
   12   2HB   PRO   2          HB2       PRO   2  21.834  -2.126   6.836
   13   1HG   PRO   2          HG1       PRO   2  19.876  -2.415   9.032
   14   2HG   PRO   2          HG2       PRO   2  20.541  -3.652   7.983
   15   1HD   PRO   2          HD1       PRO   2  21.278  -3.133  10.706
   16   2HD   PRO   2          HD2       PRO   2  22.022  -4.291   9.622
   17    H    SER   3           H        SER   3  24.480   0.514   9.177
   18    HA   SER   3           HA       SER   3  22.629   2.030  10.797
   19   1HB   SER   3          HB1       SER   3  25.231   1.369  11.232
   20   2HB   SER   3          HB2       SER   3  25.470   2.913  10.440
   21    HG   SER   3           HG       SER   3  23.989   2.365  12.857
   22    H    LYS   4           H        LYS   4  21.304   2.968   9.120
   23    HA   LYS   4           HA       LYS   4  22.633   5.183   7.778
   24   1HB   LYS   4          HB1       LYS   4  20.722   3.527   6.164
   25   2HB   LYS   4          HB2       LYS   4  21.965   4.639   5.627
   26   1HG   LYS   4          HG1       LYS   4  23.721   3.036   6.483
   27   2HG   LYS   4          HG2       LYS   4  22.449   1.913   6.921
   28   1HD   LYS   4          HD1       LYS   4  22.329   2.918   4.111
   29   2HD   LYS   4          HD2       LYS   4  23.727   1.930   4.483
   30   1HE   LYS   4          HE1       LYS   4  22.310   0.086   5.253
   31   2HE   LYS   4          HE2       LYS   4  20.871   1.081   5.149
   32   1HZ   LYS   4          HZ1       LYS   4  21.711  -0.498   3.208
   33   2HZ   LYS   4          HZ2       LYS   4  20.785   0.822   2.948
   34   3HZ   LYS   4          HZ3       LYS   4  22.401   0.903   2.728
   35    HA   PRO   5           HA       PRO   5  19.014   7.197   8.985
   36   1HB   PRO   5          HB1       PRO   5  18.898   9.284   7.224
   37   2HB   PRO   5          HB2       PRO   5  19.949   9.270   8.626
   38   1HG   PRO   5          HG1       PRO   5  20.650   8.880   5.781
   39   2HG   PRO   5          HG2       PRO   5  21.699   9.291   7.123
   40   1HD   PRO   5          HD1       PRO   5  21.440   6.724   5.870
   41   2HD   PRO   5          HD2       PRO   5  22.400   7.107   7.284
   42    H    ASP   6           H        ASP   6  19.002   7.294   5.445
   43    HA   ASP   6           HA       ASP   6  17.479   6.746   4.004
   44   1HB   ASP   6          HB1       ASP   6  16.561   4.922   6.266
   45   2HB   ASP   6          HB2       ASP   6  15.771   4.917   4.702
   46    H    ASN   7           H        ASN   7  16.412   8.819   3.911
   47    HA   ASN   7           HA       ASN   7  13.928   8.893   5.429
   48   1HB   ASN   7          HB1       ASN   7  15.979  11.105   4.979
   49   2HB   ASN   7          HB2       ASN   7  14.306  11.501   5.318
   50   1HD2  ASN   7          HD2       ASN   7  16.534  12.153   6.925
   51   2HD2  ASN   7          HD2       ASN   7  16.372  11.376   8.465
   52    HA   PRO   8           HA       PRO   8  13.014   9.401   1.040
   53   1HB   PRO   8          HB1       PRO   8  10.625   8.075   1.048
   54   2HB   PRO   8          HB2       PRO   8  12.158   7.286   0.734
   55   1HG   PRO   8          HG1       PRO   8  10.494   7.196   3.175
   56   2HG   PRO   8          HG2       PRO   8  11.777   6.110   2.681
   57   1HD   PRO   8          HD1       PRO   8  11.944   8.173   4.668
   58   2HD   PRO   8          HD2       PRO   8  13.256   7.165   4.091
   59    H    GLY   9           H        GLY   9  10.840  10.120  -0.143
   60   1HA   GLY   9          HA1       GLY   9   8.811  11.401   0.456
   61   2HA   GLY   9          HA2       GLY   9   9.820  12.318   1.557
   62    H    GLU  10           H        GLU  10  10.062  11.195  -1.902
   63    HA   GLU  10           HA       GLU  10  10.470  13.981  -2.610
   64   1HB   GLU  10          HB1       GLU  10  12.141  11.877  -3.983
   65   2HB   GLU  10          HB2       GLU  10  12.449  13.594  -3.815
   66   1HG   GLU  10          HG1       GLU  10  12.619  13.092  -1.239
   67   2HG   GLU  10          HG2       GLU  10  12.776  11.415  -1.722
   68    H    ASP  11           H        ASP  11   8.119  13.612  -3.171
   69    HA   ASP  11           HA       ASP  11   7.850  13.275  -5.882
   70   1HB   ASP  11          HB1       ASP  11   8.166  10.807  -5.039
   71   2HB   ASP  11          HB2       ASP  11   6.545  10.968  -4.392
   72    H    ALA  12           H        ALA  12   5.422  13.399  -6.493
   73    HA   ALA  12           HA       ALA  12   4.056  14.949  -4.473
   74   1HB   ALA  12          HB1       ALA  12   2.485  15.409  -6.344
   75   2HB   ALA  12          HB2       ALA  12   4.174  15.754  -6.788
   76   3HB   ALA  12          HB3       ALA  12   3.388  14.265  -7.365
   77    HA   PRO  13           HA       PRO  13   1.315  11.820  -3.295
   78   1HB   PRO  13          HB1       PRO  13  -0.957  13.206  -2.673
   79   2HB   PRO  13          HB2       PRO  13   0.427  13.106  -1.604
   80   1HG   PRO  13          HG1       PRO  13  -0.459  15.374  -3.280
   81   2HG   PRO  13          HG2       PRO  13   0.637  15.382  -1.913
   82   1HD   PRO  13          HD1       PRO  13   1.351  15.545  -4.686
   83   2HD   PRO  13          HD2       PRO  13   2.450  15.436  -3.326
   84    H    ALA  14           H        ALA  14  -0.850  10.711  -3.612
   85    HA   ALA  14           HA       ALA  14  -2.516  10.075  -4.972
   86   1HB   ALA  14          HB1       ALA  14  -1.768  11.781  -7.292
   87   2HB   ALA  14          HB2       ALA  14  -3.359  11.493  -6.549
   88   3HB   ALA  14          HB3       ALA  14  -2.227  12.649  -5.808
   89    H    GLU  15           H        GLU  15   0.560  10.904  -6.709
   90    HA   GLU  15           HA       GLU  15   0.320   8.518  -8.260
   91   1HB   GLU  15          HB1       GLU  15   1.524  10.966  -8.676
   92   2HB   GLU  15          HB2       GLU  15   2.911   9.977  -8.265
   93   1HG   GLU  15          HG1       GLU  15   2.287   8.327 -10.015
   94   2HG   GLU  15          HG2       GLU  15   0.846   9.248 -10.396
   95    H    ASP  16           H        ASP  16   1.321   9.243  -5.110
   96    HA   ASP  16           HA       ASP  16   3.459   7.309  -5.124
   97   1HB   ASP  16          HB1       ASP  16   4.027   8.136  -2.986
   98   2HB   ASP  16          HB2       ASP  16   3.430   9.561  -3.813
   99    H    LEU  17           H        LEU  17   0.052   7.776  -4.247
  100    HA   LEU  17           HA       LEU  17  -0.181   5.696  -2.378
  101   1HB   LEU  17          HB1       LEU  17  -1.746   7.716  -3.165
  102   2HB   LEU  17          HB2       LEU  17  -2.474   6.438  -4.118
  103    HG   LEU  17           HG       LEU  17  -2.115   5.498  -1.422
  104   1HD1  LEU  17          HD1       LEU  17  -4.020   7.274  -0.671
  105   2HD1  LEU  17          HD1       LEU  17  -2.289   7.435  -0.290
  106   3HD1  LEU  17          HD1       LEU  17  -2.980   8.312  -1.676
  107   1HD2  LEU  17          HD2       LEU  17  -4.801   5.729  -1.770
  108   2HD2  LEU  17          HD2       LEU  17  -4.237   5.748  -3.458
  109   3HD2  LEU  17          HD2       LEU  17  -3.810   4.388  -2.391
  110    H    ALA  18           H        ALA  18   0.253   5.751  -5.839
  111    HA   ALA  18           HA       ALA  18  -1.059   3.375  -6.503
  112   1HB   ALA  18          HB1       ALA  18   1.243   4.959  -7.672
  113   2HB   ALA  18          HB2       ALA  18   0.691   3.438  -8.414
  114   3HB   ALA  18          HB3       ALA  18  -0.428   4.814  -8.267
  115    H    ARG  19           H        ARG  19   2.356   4.060  -5.495
  116    HA   ARG  19           HA       ARG  19   3.247   1.483  -5.738
  117   1HB   ARG  19          HB1       ARG  19   4.091   3.654  -3.752
  118   2HB   ARG  19          HB2       ARG  19   5.018   2.200  -4.062
  119   1HG   ARG  19          HG1       ARG  19   4.224   3.805  -6.470
  120   2HG   ARG  19          HG2       ARG  19   5.414   4.535  -5.411
  121   1HD   ARG  19          HD1       ARG  19   6.994   2.805  -5.764
  122   2HD   ARG  19          HD2       ARG  19   5.772   1.643  -6.241
  123    HE   ARG  19           HE       ARG  19   5.590   3.614  -8.192
  124   1HH1  ARG  19          HH1       ARG  19   8.245   2.738 -10.281
  125   2HH1  ARG  19          HH1       ARG  19   6.745   3.596 -10.164
  126   1HH2  ARG  19          HH2       ARG  19   9.081   1.605  -8.436
  127   2HH2  ARG  19          HH2       ARG  19   8.205   1.619  -6.941
  128    H    TYR  20           H        TYR  20   1.065   2.928  -3.423
  129    HA   TYR  20           HA       TYR  20   1.519   0.814  -1.466
  130   1HB   TYR  20          HB1       TYR  20   1.195   2.958  -0.450
  131   2HB   TYR  20          HB2       TYR  20   0.129   3.502  -1.730
  132    HD1  TYR  20           HD1      TYR  20  -2.253   3.195  -1.591
  133    HD2  TYR  20           HD2      TYR  20   0.320   1.466   1.358
  134    HE1  TYR  20           HE1      TYR  20  -4.264   2.698  -0.117
  135    HE2  TYR  20           HE2      TYR  20  -1.700   0.975   2.822
  136    HH   TYR  20           HH       TYR  20  -3.848   1.045   3.003
  137    H    TYR  21           H        TYR  21  -0.374   1.440  -4.262
  138    HA   TYR  21           HA       TYR  21  -2.584  -0.209  -3.281
  139   1HB   TYR  21          HB1       TYR  21  -2.074   1.992  -5.192
  140   2HB   TYR  21          HB2       TYR  21  -2.862   0.661  -6.015
  141    HD1  TYR  21           HD1      TYR  21  -3.651   3.663  -4.842
  142    HD2  TYR  21           HD2      TYR  21  -4.735  -0.399  -4.050
  143    HE1  TYR  21           HE1      TYR  21  -5.901   4.431  -3.941
  144    HE2  TYR  21           HE2      TYR  21  -6.981   0.383  -3.152
  145    HH   TYR  21           HH       TYR  21  -7.666   3.804  -2.741
  146    H    SER  22           H        SER  22   0.206  -0.170  -5.478
  147    HA   SER  22           HA       SER  22  -0.711  -2.463  -6.898
  148   1HB   SER  22          HB1       SER  22   0.976  -0.471  -7.571
  149   2HB   SER  22          HB2       SER  22   2.169  -1.595  -6.953
  150    HG   SER  22           HG       SER  22   0.241  -2.107  -9.054
  151    H    ALA  23           H        ALA  23   1.381  -1.694  -4.116
  152    HA   ALA  23           HA       ALA  23   2.474  -4.358  -4.006
  153   1HB   ALA  23          HB1       ALA  23   3.838  -2.437  -3.356
  154   2HB   ALA  23          HB2       ALA  23   2.633  -1.961  -2.135
  155   3HB   ALA  23          HB3       ALA  23   3.552  -3.473  -1.938
  156    H    LEU  24           H        LEU  24  -0.340  -2.605  -2.870
  157    HA   LEU  24           HA       LEU  24  -0.857  -4.096  -0.556
  158   1HB   LEU  24          HB1       LEU  24  -2.406  -2.550  -0.381
  159   2HB   LEU  24          HB2       LEU  24  -2.006  -1.968  -1.985
  160    HG   LEU  24           HG       LEU  24  -4.358  -2.333  -1.901
  161   1HD1  LEU  24          HD1       LEU  24  -2.664  -3.738  -3.713
  162   2HD1  LEU  24          HD1       LEU  24  -4.106  -4.736  -3.408
  163   3HD1  LEU  24          HD1       LEU  24  -4.288  -3.064  -3.991
  164   1HD2  LEU  24          HD2       LEU  24  -5.291  -3.816  -0.546
  165   2HD2  LEU  24          HD2       LEU  24  -4.637  -5.146  -1.533
  166   3HD2  LEU  24          HD2       LEU  24  -3.688  -4.495  -0.174
  167    H    ARG  25           H        ARG  25  -0.775  -5.001  -3.862
  168    HA   ARG  25           HA       ARG  25  -2.832  -6.961  -3.607
  169   1HB   ARG  25          HB1       ARG  25  -1.959  -5.646  -5.761
  170   2HB   ARG  25          HB2       ARG  25  -0.778  -6.938  -5.840
  171   1HG   ARG  25          HG1       ARG  25  -2.330  -8.238  -6.859
  172   2HG   ARG  25          HG2       ARG  25  -3.254  -8.244  -5.370
  173   1HD   ARG  25          HD1       ARG  25  -4.833  -7.355  -6.855
  174   2HD   ARG  25          HD2       ARG  25  -4.131  -5.883  -6.214
  175    HE   ARG  25           HE       ARG  25  -2.634  -6.773  -8.520
  176   1HH1  ARG  25          HH1       ARG  25  -4.214  -4.623 -10.769
  177   2HH1  ARG  25          HH1       ARG  25  -2.849  -5.656 -10.501
  178   1HH2  ARG  25          HH2       ARG  25  -5.823  -4.375  -9.116
  179   2HH2  ARG  25          HH2       ARG  25  -5.660  -5.222  -7.614
  180    H    HIS  26           H        HIS  26   0.756  -7.005  -4.266
  181    HA   HIS  26           HA       HIS  26   1.039  -9.745  -3.952
  182   1HB   HIS  26          HB1       HIS  26   2.636  -7.664  -4.724
  183   2HB   HIS  26          HB2       HIS  26   3.339  -8.062  -3.168
  184    HD1  HIS  26           HD1      HIS  26   5.478  -8.879  -4.541
  185    HD2  HIS  26           HD2      HIS  26   1.989 -11.135  -5.117
  186    HE1  HIS  26           HE1      HIS  26   6.212 -11.060  -5.643
  187    H    TYR  27           H        TYR  27   0.568  -7.170  -1.624
  188    HA   TYR  27           HA       TYR  27   1.678  -8.670   0.572
  189   1HB   TYR  27          HB1       TYR  27   1.809  -6.307   0.847
  190   2HB   TYR  27          HB2       TYR  27   0.332  -6.030  -0.054
  191    HD1  TYR  27           HD1      TYR  27   0.887  -8.188   2.956
  192    HD2  TYR  27           HD2      TYR  27  -0.988  -4.697   1.344
  193    HE1  TYR  27           HE1      TYR  27  -0.386  -7.858   5.132
  194    HE2  TYR  27           HE2      TYR  27  -2.254  -4.379   3.526
  195    HH   TYR  27           HH       TYR  27  -2.032  -6.780   6.105
  196    H    ILE  28           H        ILE  28  -1.570  -7.820  -0.751
  197    HA   ILE  28           HA       ILE  28  -2.868  -9.232   1.400
  198    HB   ILE  28           HB       ILE  28  -3.840  -7.767  -1.046
  199   1HG1  ILE  28          1HG1      ILE  28  -2.999  -6.329   0.711
  200   2HG1  ILE  28          2HG1      ILE  28  -4.743  -6.191   0.610
  201   1HG2  ILE  28          1HG2      ILE  28  -5.582  -9.213  -0.938
  202   2HG2  ILE  28          2HG2      ILE  28  -5.288  -9.624   0.769
  203   3HG2  ILE  28          3HG2      ILE  28  -6.101  -8.097   0.349
  204   1HD1  ILE  28          1HD1      ILE  28  -4.386  -8.287   2.432
  205   2HD1  ILE  28          2HD1      ILE  28  -3.075  -7.152   2.833
  206   3HD1  ILE  28          3HD1      ILE  28  -4.767  -6.598   2.845
  207    H    ASN  29           H        ASN  29  -1.212 -10.104  -1.409
  208    HA   ASN  29           HA       ASN  29  -2.874 -11.964  -2.551
  209   1HB   ASN  29          HB1       ASN  29  -0.691 -11.217  -3.520
  210   2HB   ASN  29          HB2       ASN  29   0.174 -12.028  -2.229
  211   1HD2  ASN  29          HD2       ASN  29   1.158 -12.964  -4.239
  212   2HD2  ASN  29          HD2       ASN  29   0.487 -14.435  -4.862
  213    H    LEU  30           H        LEU  30  -1.351 -11.872   0.566
  214    HA   LEU  30           HA       LEU  30  -1.452 -14.781   0.844
  215   1HB   LEU  30          HB1       LEU  30   0.516 -14.367   1.778
  216   2HB   LEU  30          HB2       LEU  30   0.200 -12.650   1.924
  217    HG   LEU  30           HG       LEU  30  -1.246 -13.268   3.969
  218   1HD1  LEU  30          HD1       LEU  30  -1.190 -15.747   3.338
  219   2HD1  LEU  30          HD1       LEU  30   0.457 -15.758   4.013
  220   3HD1  LEU  30          HD1       LEU  30  -0.926 -15.325   5.047
  221   1HD2  LEU  30          HD2       LEU  30   0.533 -12.163   4.755
  222   2HD2  LEU  30          HD2       LEU  30   1.148 -13.772   5.205
  223   3HD2  LEU  30          HD2       LEU  30   1.665 -13.016   3.678
  224    H    ALA  31           H        ALA  31  -3.215 -11.868   1.466
  225    HA   ALA  31           HA       ALA  31  -4.663 -13.085   3.684
  226   1HB   ALA  31          HB1       ALA  31  -5.204 -10.950   4.284
  227   2HB   ALA  31          HB2       ALA  31  -3.798 -10.538   3.273
  228   3HB   ALA  31          HB3       ALA  31  -5.442 -10.425   2.600
  229   1HN   AIB  32          1HN       AIB  32  -5.025 -14.617   1.464
  230   1HB1  AIB  32          1HB1      AIB  32  -6.681 -15.902  -1.227
  231   2HB1  AIB  32          2HB1      AIB  32  -7.095 -16.742   0.291
  232   3HB1  AIB  32          3HB1      AIB  32  -5.447 -16.139   0.043
  233   1HB2  AIB  32          1HB2      AIB  32  -6.378 -12.841  -0.829
  234   2HB2  AIB  32          2HB2      AIB  32  -8.084 -12.857  -0.355
  235   3HB2  AIB  32          3HB2      AIB  32  -7.493 -14.020  -1.572
  236    H    ARG  33           H        ARG  33  -7.093 -15.470   2.942
  237    HA   ARG  33           HA       ARG  33  -9.640 -16.298   3.018
  238   1HB   ARG  33          HB1       ARG  33  -8.665 -16.827   5.029
  239   2HB   ARG  33          HB2       ARG  33  -7.621 -15.420   4.995
  240   1HG   ARG  33          HG1       ARG  33  -9.204 -15.300   6.900
  241   2HG   ARG  33          HG2       ARG  33  -9.473 -13.978   5.781
  242   1HD   ARG  33          HD1       ARG  33 -11.646 -14.618   5.626
  243   2HD   ARG  33          HD2       ARG  33 -11.119 -16.083   4.821
  244    HE   ARG  33           HE       ARG  33 -11.726 -17.234   6.747
  245   1HH1  ARG  33          HH1       ARG  33 -11.855 -16.280  10.102
  246   2HH1  ARG  33          HH1       ARG  33 -12.134 -17.563   8.972
  247   1HH2  ARG  33          HH2       ARG  33 -11.067 -14.228   9.356
  248   2HH2  ARG  33          HH2       ARG  33 -10.757 -13.980   7.670
  249    H    GLN  34           H        GLN  34  -8.375 -12.960   3.556
  250    HA   GLN  34           HA       GLN  34 -10.461 -11.684   4.572
  251   1HB   GLN  34          HB1       GLN  34  -8.204 -10.764   3.709
  252   2HB   GLN  34          HB2       GLN  34  -8.988 -10.572   2.154
  253   1HG   GLN  34          HG1       GLN  34 -10.797  -9.456   4.044
  254   2HG   GLN  34          HG2       GLN  34  -9.211  -8.906   4.547
  255   1HE2  GLN  34          1HE2      GLN  34  -9.003  -6.908   3.868
  256   2HE2  GLN  34          2HE2      GLN  34  -9.274  -6.319   2.262
  257    H    ARG  35           H        ARG  35 -10.171 -12.904   1.213
  258    HA   ARG  35           HA       ARG  35 -12.950 -12.108   0.857
  259   1HB   ARG  35          HB1       ARG  35 -10.574 -11.806  -0.901
  260   2HB   ARG  35          HB2       ARG  35 -11.950 -12.514  -1.723
  261   1HG   ARG  35          HG1       ARG  35 -13.359 -10.627  -1.236
  262   2HG   ARG  35          HG2       ARG  35 -12.260 -10.015  -0.015
  263   1HD   ARG  35          HD1       ARG  35 -11.501  -8.644  -1.688
  264   2HD   ARG  35          HD2       ARG  35 -10.593 -10.049  -2.210
  265    HE   ARG  35           HE       ARG  35 -13.125 -10.350  -3.379
  266   1HH1  ARG  35          HH1       ARG  35 -12.683  -8.405  -6.243
  267   2HH1  ARG  35          HH1       ARG  35 -13.617  -9.661  -5.502
  268   1HH2  ARG  35          HH2       ARG  35 -10.931  -7.422  -5.080
  269   2HH2  ARG  35          HH2       ARG  35 -10.558  -7.944  -3.472
  270    H    TYR  36           H        TYR  36 -11.867 -14.596   2.068
  271    HA   TYR  36           HA       TYR  36 -12.067 -16.803   1.950
  272   1HB   TYR  36          HB1       TYR  36 -14.401 -16.747   1.697
  273   2HB   TYR  36          HB2       TYR  36 -14.309 -15.523   0.446
  274    HD1  TYR  36           HD1      TYR  36 -13.157 -19.095   0.713
  275    HD2  TYR  36           HD2      TYR  36 -15.376 -16.181  -1.498
  276    HE1  TYR  36           HE1      TYR  36 -13.714 -20.844  -1.047
  277    HE2  TYR  36           HE2      TYR  36 -15.926 -17.939  -3.250
  278    HH   TYR  36           HH       TYR  36 -15.624 -21.157  -2.729
  279   1HN   NH2  37          HN1       NH2 237 -10.315 -17.737   1.142
  280   2HN   NH2  37          HN2       NH2 237  -9.988 -18.022  -0.535
  Start of MODEL   13
    1    H    TYR   1           H        TYR   1 -14.758  -1.463 -11.542
    2    HA   TYR   1           HA       TYR   1 -13.261   0.078 -10.994
    3   1HB   TYR   1          HB1       TYR   1 -11.833  -1.405  -9.866
    4   2HB   TYR   1          HB2       TYR   1 -11.884  -2.567 -11.176
    5    HD1  TYR   1           HD1      TYR   1 -10.312   0.668 -10.166
    6    HD2  TYR   1           HD2      TYR   1 -10.038  -2.830 -12.614
    7    HE1  TYR   1           HE1      TYR   1  -7.949   1.318 -10.844
    8    HE2  TYR   1           HE2      TYR   1  -7.677  -2.168 -13.283
    9    HH   TYR   1           HH       TYR   1  -5.922  -0.869 -12.634
   10    HA   PRO   2           HA       PRO   2 -12.170   1.408 -15.071
   11   1HB   PRO   2          HB1       PRO   2 -12.644   4.068 -14.662
   12   2HB   PRO   2          HB2       PRO   2 -13.875   2.948 -15.211
   13   1HG   PRO   2          HG1       PRO   2 -13.522   4.147 -12.532
   14   2HG   PRO   2          HG2       PRO   2 -14.945   3.385 -13.215
   15   1HD   PRO   2          HD1       PRO   2 -13.136   2.242 -11.305
   16   2HD   PRO   2          HD2       PRO   2 -14.491   1.441 -12.075
   17    H    SER   3           H        SER   3 -10.393   2.417 -16.085
   18    HA   SER   3           HA       SER   3  -8.307   2.812 -14.116
   19   1HB   SER   3          HB1       SER   3  -8.205   2.392 -17.135
   20   2HB   SER   3          HB2       SER   3  -6.786   2.665 -16.144
   21    HG   SER   3           HG       SER   3  -7.104   0.706 -15.075
   22    H    LYS   4           H        LYS   4  -6.691   4.633 -14.558
   23    HA   LYS   4           HA       LYS   4  -7.526   6.774 -16.231
   24   1HB   LYS   4          HB1       LYS   4  -9.001   7.696 -14.815
   25   2HB   LYS   4          HB2       LYS   4  -8.469   6.723 -13.458
   26   1HG   LYS   4          HG1       LYS   4  -6.751   8.243 -12.862
   27   2HG   LYS   4          HG2       LYS   4  -6.685   8.955 -14.462
   28   1HD   LYS   4          HD1       LYS   4  -9.340   9.418 -13.610
   29   2HD   LYS   4          HD2       LYS   4  -8.376   9.685 -12.171
   30   1HE   LYS   4          HE1       LYS   4  -7.409  11.588 -13.014
   31   2HE   LYS   4          HE2       LYS   4  -7.185  10.889 -14.605
   32   1HZ   LYS   4          HZ1       LYS   4  -9.569  11.219 -14.972
   33   2HZ   LYS   4          HZ2       LYS   4  -9.692  11.978 -13.531
   34   3HZ   LYS   4          HZ3       LYS   4  -8.777  12.624 -14.719
   35    HA   PRO   5           HA       PRO   5  -3.152   6.659 -15.469
   36   1HB   PRO   5          HB1       PRO   5  -2.383   7.294 -18.014
   37   2HB   PRO   5          HB2       PRO   5  -2.610   5.646 -17.464
   38   1HG   PRO   5          HG1       PRO   5  -4.358   7.277 -19.203
   39   2HG   PRO   5          HG2       PRO   5  -4.337   5.538 -18.990
   40   1HD   PRO   5          HD1       PRO   5  -6.233   7.381 -17.877
   41   2HD   PRO   5          HD2       PRO   5  -6.142   5.658 -17.571
   42    H    ASP   6           H        ASP   6  -5.292   9.075 -16.458
   43    HA   ASP   6           HA       ASP   6  -5.288  11.223 -16.165
   44   1HB   ASP   6          HB1       ASP   6  -3.238  10.322 -14.247
   45   2HB   ASP   6          HB2       ASP   6  -2.933  11.957 -14.799
   46    H    ASN   7           H        ASN   7  -4.519  13.047 -17.394
   47    HA   ASN   7           HA       ASN   7  -2.720  12.439 -19.429
   48   1HB   ASN   7          HB1       ASN   7  -4.566  14.532 -18.775
   49   2HB   ASN   7          HB2       ASN   7  -3.020  15.321 -19.021
   50   1HD2  ASN   7          HD2       ASN   7  -5.258  15.641 -20.666
   51   2HD2  ASN   7          HD2       ASN   7  -4.912  15.028 -22.249
   52    HA   PRO   8           HA       PRO   8   0.138  15.293 -16.871
   53   1HB   PRO   8          HB1       PRO   8  -0.603  16.049 -14.351
   54   2HB   PRO   8          HB2       PRO   8  -0.873  17.044 -15.768
   55   1HG   PRO   8          HG1       PRO   8  -2.824  15.444 -14.228
   56   2HG   PRO   8          HG2       PRO   8  -3.123  16.752 -15.356
   57   1HD   PRO   8          HD1       PRO   8  -3.463  13.947 -15.852
   58   2HD   PRO   8          HD2       PRO   8  -3.650  15.247 -17.012
   59    H    GLY   9           H        GLY   9   1.440  15.216 -14.563
   60   1HA   GLY   9          HA1       GLY   9   1.417  13.183 -12.875
   61   2HA   GLY   9          HA2       GLY   9   1.933  12.348 -14.327
   62    H    GLU  10           H        GLU  10   2.660  15.439 -12.542
   63    HA   GLU  10           HA       GLU  10   5.439  15.030 -13.296
   64   1HB   GLU  10          HB1       GLU  10   4.449  17.574 -12.016
   65   2HB   GLU  10          HB2       GLU  10   5.747  17.350 -13.173
   66   1HG   GLU  10          HG1       GLU  10   4.067  16.812 -14.951
   67   2HG   GLU  10          HG2       GLU  10   2.770  17.041 -13.794
   68    H    ASP  11           H        ASP  11   3.455  16.214 -10.480
   69    HA   ASP  11           HA       ASP  11   5.030  14.555  -8.763
   70   1HB   ASP  11          HB1       ASP  11   6.100  16.978  -9.087
   71   2HB   ASP  11          HB2       ASP  11   4.821  17.477  -7.998
   72    H    ALA  12           H        ALA  12   3.524  13.689  -7.324
   73    HA   ALA  12           HA       ALA  12   1.678  15.246  -5.918
   74   1HB   ALA  12          HB1       ALA  12  -0.378  14.811  -6.985
   75   2HB   ALA  12          HB2       ALA  12   0.711  15.228  -8.330
   76   3HB   ALA  12          HB3       ALA  12   0.314  13.525  -8.001
   77    HA   PRO  13           HA       PRO  13   1.729  11.536  -3.698
   78   1HB   PRO  13          HB1       PRO  13  -0.492  11.765  -2.122
   79   2HB   PRO  13          HB2       PRO  13   1.020  12.578  -1.771
   80   1HG   PRO  13          HG1       PRO  13  -1.485  13.712  -2.856
   81   2HG   PRO  13          HG2       PRO  13  -0.136  14.545  -2.110
   82   1HD   PRO  13          HD1       PRO  13  -0.734  14.412  -4.912
   83   2HD   PRO  13          HD2       PRO  13   0.677  15.146  -4.174
   84    H    ALA  14           H        ALA  14  -0.746  12.179  -5.878
   85    HA   ALA  14           HA       ALA  14  -2.255   9.834  -5.497
   86   1HB   ALA  14          HB1       ALA  14  -1.847  11.544  -7.985
   87   2HB   ALA  14          HB2       ALA  14  -3.181  10.400  -7.701
   88   3HB   ALA  14          HB3       ALA  14  -3.034  11.863  -6.697
   89    H    GLU  15           H        GLU  15   0.782  10.600  -7.189
   90    HA   GLU  15           HA       GLU  15   0.749   8.131  -8.612
   91   1HB   GLU  15          HB1       GLU  15   1.822  10.236  -9.483
   92   2HB   GLU  15          HB2       GLU  15   3.026  10.122  -8.214
   93   1HG   GLU  15          HG1       GLU  15   4.100   8.305  -9.190
   94   2HG   GLU  15          HG2       GLU  15   2.625   7.662  -9.885
   95    H    ASP  16           H        ASP  16   1.593   9.200  -5.431
   96    HA   ASP  16           HA       ASP  16   3.615   7.219  -5.057
   97   1HB   ASP  16          HB1       ASP  16   2.374   9.433  -3.489
   98   2HB   ASP  16          HB2       ASP  16   2.887   8.064  -2.524
   99    H    LEU  17           H        LEU  17   0.234   7.935  -3.915
  100    HA   LEU  17           HA       LEU  17  -0.155   5.788  -2.274
  101   1HB   LEU  17          HB1       LEU  17  -1.652   7.861  -3.262
  102   2HB   LEU  17          HB2       LEU  17  -2.452   6.472  -3.970
  103    HG   LEU  17           HG       LEU  17  -2.044   5.787  -1.270
  104   1HD1  LEU  17          HD1       LEU  17  -1.834   8.523  -1.352
  105   2HD1  LEU  17          HD1       LEU  17  -3.565   8.282  -1.017
  106   3HD1  LEU  17          HD1       LEU  17  -2.343   7.561   0.057
  107   1HD2  LEU  17          HD2       LEU  17  -4.662   6.419  -1.341
  108   2HD2  LEU  17          HD2       LEU  17  -4.313   6.368  -3.086
  109   3HD2  LEU  17          HD2       LEU  17  -3.980   4.945  -2.070
  110    H    ALA  18           H        ALA  18   0.252   5.865  -5.758
  111    HA   ALA  18           HA       ALA  18  -1.089   3.507  -6.415
  112   1HB   ALA  18          HB1       ALA  18  -0.394   5.072  -8.112
  113   2HB   ALA  18          HB2       ALA  18   1.311   4.934  -7.621
  114   3HB   ALA  18          HB3       ALA  18   0.493   3.554  -8.391
  115    H    ARG  19           H        ARG  19   2.341   4.140  -5.426
  116    HA   ARG  19           HA       ARG  19   3.199   1.555  -5.697
  117   1HB   ARG  19          HB1       ARG  19   4.079   3.696  -3.695
  118   2HB   ARG  19          HB2       ARG  19   4.988   2.234  -4.024
  119   1HG   ARG  19          HG1       ARG  19   4.207   3.830  -6.432
  120   2HG   ARG  19          HG2       ARG  19   5.362   4.600  -5.363
  121   1HD   ARG  19          HD1       ARG  19   6.980   2.881  -5.654
  122   2HD   ARG  19          HD2       ARG  19   5.790   1.712  -6.189
  123    HE   ARG  19           HE       ARG  19   5.634   3.675  -8.130
  124   1HH1  ARG  19          HH1       ARG  19   8.425   2.963 -10.099
  125   2HH1  ARG  19          HH1       ARG  19   6.876   3.737 -10.046
  126   1HH2  ARG  19          HH2       ARG  19   9.237   1.863  -8.224
  127   2HH2  ARG  19          HH2       ARG  19   8.295   1.817  -6.771
  128    H    TYR  20           H        TYR  20   1.050   3.006  -3.355
  129    HA   TYR  20           HA       TYR  20   1.487   0.869  -1.420
  130   1HB   TYR  20          HB1       TYR  20   1.196   3.007  -0.384
  131   2HB   TYR  20          HB2       TYR  20   0.129   3.576  -1.652
  132    HD1  TYR  20           HD1      TYR  20   0.199   1.028   1.103
  133    HD2  TYR  20           HD2      TYR  20  -2.141   3.780  -1.189
  134    HE1  TYR  20           HE1      TYR  20  -1.818   0.551   2.576
  135    HE2  TYR  20           HE2      TYR  20  -4.150   3.294   0.291
  136    HH   TYR  20           HH       TYR  20  -4.497   2.501   2.648
  137    H    TYR  21           H        TYR  21  -0.409   1.539  -4.202
  138    HA   TYR  21           HA       TYR  21  -2.637  -0.086  -3.223
  139   1HB   TYR  21          HB1       TYR  21  -2.105   2.119  -5.122
  140   2HB   TYR  21          HB2       TYR  21  -2.915   0.804  -5.950
  141    HD1  TYR  21           HD1      TYR  21  -3.277   2.337  -2.534
  142    HD2  TYR  21           HD2      TYR  21  -5.175   1.231  -6.206
  143    HE1  TYR  21           HE1      TYR  21  -5.514   3.135  -1.627
  144    HE2  TYR  21           HE2      TYR  21  -7.405   2.033  -5.286
  145    HH   TYR  21           HH       TYR  21  -8.483   2.558  -3.390
  146    H    SER  22           H        SER  22   0.142  -0.070  -5.433
  147    HA   SER  22           HA       SER  22  -0.811  -2.344  -6.860
  148   1HB   SER  22          HB1       SER  22   1.086  -0.337  -7.325
  149   2HB   SER  22          HB2       SER  22   2.073  -1.762  -7.066
  150    HG   SER  22           HG       SER  22   0.999  -2.841  -8.762
  151    H    ALA  23           H        ALA  23   1.308  -1.613  -4.088
  152    HA   ALA  23           HA       ALA  23   2.371  -4.291  -3.999
  153   1HB   ALA  23          HB1       ALA  23   3.938  -2.783  -3.221
  154   2HB   ALA  23          HB2       ALA  23   2.712  -1.711  -2.503
  155   3HB   ALA  23          HB3       ALA  23   3.161  -3.225  -1.682
  156    H    LEU  24           H        LEU  24  -0.420  -2.517  -2.848
  157    HA   LEU  24           HA       LEU  24  -0.937  -4.000  -0.529
  158   1HB   LEU  24          HB1       LEU  24  -2.487  -2.454  -0.349
  159   2HB   LEU  24          HB2       LEU  24  -2.072  -1.863  -1.946
  160    HG   LEU  24           HG       LEU  24  -4.425  -2.208  -1.887
  161   1HD1  LEU  24          HD1       LEU  24  -4.186  -4.609  -3.398
  162   2HD1  LEU  24          HD1       LEU  24  -4.342  -2.934  -3.978
  163   3HD1  LEU  24          HD1       LEU  24  -2.729  -3.628  -3.687
  164   1HD2  LEU  24          HD2       LEU  24  -3.813  -4.339  -0.129
  165   2HD2  LEU  24          HD2       LEU  24  -5.413  -3.708  -0.588
  166   3HD2  LEU  24          HD2       LEU  24  -4.683  -5.041  -1.514
  167    H    ARG  25           H        ARG  25  -0.877  -4.912  -3.833
  168    HA   ARG  25           HA       ARG  25  -2.938  -6.867  -3.552
  169   1HB   ARG  25          HB1       ARG  25  -2.150  -5.558  -5.719
  170   2HB   ARG  25          HB2       ARG  25  -0.911  -6.794  -5.816
  171   1HG   ARG  25          HG1       ARG  25  -2.391  -8.264  -6.701
  172   2HG   ARG  25          HG2       ARG  25  -3.429  -8.109  -5.297
  173   1HD   ARG  25          HD1       ARG  25  -4.507  -6.096  -6.285
  174   2HD   ARG  25          HD2       ARG  25  -3.432  -6.176  -7.667
  175    HE   ARG  25           HE       ARG  25  -4.754  -7.885  -8.560
  176   1HH1  ARG  25          HH1       ARG  25  -7.343  -9.750  -7.148
  177   2HH1  ARG  25          HH1       ARG  25  -6.484  -9.378  -8.605
  178   1HH2  ARG  25          HH2       ARG  25  -6.738  -8.734  -5.151
  179   2HH2  ARG  25          HH2       ARG  25  -5.426  -7.603  -5.118
  180    H    HIS  26           H        HIS  26   0.641  -6.900  -4.255
  181    HA   HIS  26           HA       HIS  26   0.932  -9.643  -3.960
  182   1HB   HIS  26          HB1       HIS  26   2.523  -7.512  -4.695
  183   2HB   HIS  26          HB2       HIS  26   3.261  -8.020  -3.189
  184    HD1  HIS  26           HD1      HIS  26   2.998  -8.908  -6.758
  185    HD2  HIS  26           HD2      HIS  26   4.135 -10.820  -3.201
  186    HE1  HIS  26           HE1      HIS  26   4.286 -10.999  -7.450
  187    H    TYR  27           H        TYR  27   0.454  -7.093  -1.618
  188    HA   TYR  27           HA       TYR  27   1.616  -8.581   0.560
  189   1HB   TYR  27          HB1       TYR  27   1.706  -6.222   0.858
  190   2HB   TYR  27          HB2       TYR  27   0.228  -5.961  -0.046
  191    HD1  TYR  27           HD1      TYR  27  -1.249  -4.766   1.292
  192    HD2  TYR  27           HD2      TYR  27   0.938  -8.013   3.019
  193    HE1  TYR  27           HE1      TYR  27  -2.525  -4.476   3.472
  194    HE2  TYR  27           HE2      TYR  27  -0.345  -7.711   5.193
  195    HH   TYR  27           HH       TYR  27  -2.966  -5.344   5.425
  196    H    ILE  28           H        ILE  28  -1.675  -7.730  -0.673
  197    HA   ILE  28           HA       ILE  28  -2.938  -9.146   1.474
  198    HB   ILE  28           HB       ILE  28  -3.951  -7.841  -1.048
  199   1HG1  ILE  28          1HG1      ILE  28  -3.033  -6.366   0.743
  200   2HG1  ILE  28          2HG1      ILE  28  -4.724  -6.090   0.378
  201   1HG2  ILE  28          1HG2      ILE  28  -5.565  -9.110   1.183
  202   2HG2  ILE  28          2HG2      ILE  28  -6.212  -8.166  -0.181
  203   3HG2  ILE  28          3HG2      ILE  28  -5.406  -9.725  -0.480
  204   1HD1  ILE  28          1HD1      ILE  28  -4.357  -6.119   2.822
  205   2HD1  ILE  28          2HD1      ILE  28  -5.384  -7.489   2.336
  206   3HD1  ILE  28          3HD1      ILE  28  -3.664  -7.755   2.709
  207    H    ASN  29           H        ASN  29  -1.399  -9.983  -1.489
  208    HA   ASN  29           HA       ASN  29  -2.991 -11.995  -2.419
  209   1HB   ASN  29          HB1       ASN  29  -0.665 -10.977  -3.254
  210   2HB   ASN  29          HB2       ASN  29   0.031 -12.307  -2.349
  211   1HD2  ASN  29          HD2       ASN  29  -0.622 -11.453  -5.311
  212   2HD2  ASN  29          HD2       ASN  29  -1.119 -12.936  -6.056
  213    H    LEU  30           H        LEU  30  -1.193 -11.712   0.551
  214    HA   LEU  30           HA       LEU  30  -0.983 -14.588   0.916
  215   1HB   LEU  30          HB1       LEU  30  -0.071 -12.241   2.583
  216   2HB   LEU  30          HB2       LEU  30   0.136 -13.919   3.044
  217    HG   LEU  30           HG       LEU  30   1.618 -12.287   1.074
  218   1HD1  LEU  30          HD1       LEU  30   2.700 -12.937   3.106
  219   2HD1  LEU  30          HD1       LEU  30   2.285 -14.649   2.846
  220   3HD1  LEU  30          HD1       LEU  30   3.449 -13.841   1.769
  221   1HD2  LEU  30          HD2       LEU  30   0.550 -13.790  -0.488
  222   2HD2  LEU  30          HD2       LEU  30   2.261 -14.241  -0.299
  223   3HD2  LEU  30          HD2       LEU  30   0.994 -15.197   0.507
  224    H    ALA  31           H        ALA  31  -3.474 -12.498   0.951
  225    HA   ALA  31           HA       ALA  31  -4.556 -13.313   3.529
  226   1HB   ALA  31          HB1       ALA  31  -5.730 -11.502   1.383
  227   2HB   ALA  31          HB2       ALA  31  -6.273 -11.662   3.071
  228   3HB   ALA  31          HB3       ALA  31  -4.688 -10.937   2.711
  229   1HN   AIB  32          1HN       AIB  32  -4.094 -15.476   1.796
  230   1HB1  AIB  32          1HB1      AIB  32  -3.834 -17.060   0.354
  231   2HB1  AIB  32          2HB1      AIB  32  -5.144 -17.845  -0.568
  232   3HB1  AIB  32          3HB1      AIB  32  -4.750 -18.421   1.062
  233   1HB2  AIB  32          1HB2      AIB  32  -6.628 -14.910  -0.286
  234   2HB2  AIB  32          2HB2      AIB  32  -7.865 -16.019   0.328
  235   3HB2  AIB  32          3HB2      AIB  32  -6.738 -16.566  -0.943
  236    H    ARG  33           H        ARG  33  -5.476 -16.282   3.653
  237    HA   ARG  33           HA       ARG  33  -7.733 -18.071   4.087
  238   1HB   ARG  33          HB1       ARG  33  -4.966 -18.223   5.035
  239   2HB   ARG  33          HB2       ARG  33  -6.063 -18.138   6.399
  240   1HG   ARG  33          HG1       ARG  33  -6.468 -20.077   4.078
  241   2HG   ARG  33          HG2       ARG  33  -5.551 -20.495   5.512
  242   1HD   ARG  33          HD1       ARG  33  -7.571 -21.193   6.342
  243   2HD   ARG  33          HD2       ARG  33  -7.845 -19.493   6.667
  244    HE   ARG  33           HE       ARG  33  -9.340 -19.382   4.841
  245   1HH1  ARG  33          HH1       ARG  33 -10.416 -21.948   2.735
  246   2HH1  ARG  33          HH1       ARG  33 -10.696 -20.321   3.259
  247   1HH2  ARG  33          HH2       ARG  33  -8.665 -23.174   3.640
  248   2HH2  ARG  33          HH2       ARG  33  -7.638 -22.462   4.839
  249    H    GLN  34           H        GLN  34  -5.754 -15.301   5.284
  250    HA   GLN  34           HA       GLN  34  -7.236 -14.705   7.510
  251   1HB   GLN  34          HB1       GLN  34  -4.991 -13.720   6.688
  252   2HB   GLN  34          HB2       GLN  34  -5.943 -12.618   5.714
  253   1HG   GLN  34          HG1       GLN  34  -7.094 -12.575   8.336
  254   2HG   GLN  34          HG2       GLN  34  -5.358 -12.490   8.559
  255   1HE2  GLN  34          1HE2      GLN  34  -4.546 -10.550   8.591
  256   2HE2  GLN  34          2HE2      GLN  34  -5.135  -9.143   7.769
  257    H    ARG  35           H        ARG  35  -7.709 -13.769   4.064
  258    HA   ARG  35           HA       ARG  35 -10.076 -12.316   4.846
  259   1HB   ARG  35          HB1       ARG  35  -8.163 -12.174   2.651
  260   2HB   ARG  35          HB2       ARG  35  -9.778 -12.347   1.992
  261   1HG   ARG  35          HG1       ARG  35 -10.378 -10.237   2.616
  262   2HG   ARG  35          HG2       ARG  35  -9.728 -10.437   4.231
  263   1HD   ARG  35          HD1       ARG  35  -7.605  -9.635   3.635
  264   2HD   ARG  35          HD2       ARG  35  -7.758 -10.143   1.965
  265    HE   ARG  35           HE       ARG  35  -8.735  -8.081   1.458
  266   1HH1  ARG  35          HH1       ARG  35  -9.915  -5.535   3.532
  267   2HH1  ARG  35          HH1       ARG  35  -9.555  -5.995   1.901
  268   1HH2  ARG  35          HH2       ARG  35  -9.565  -7.037   5.266
  269   2HH2  ARG  35          HH2       ARG  35  -8.944  -8.619   4.929
  270    H    TYR  36           H        TYR  36  -9.849 -15.315   5.024
  271    HA   TYR  36           HA       TYR  36 -10.958 -17.160   4.476
  272   1HB   TYR  36          HB1       TYR  36 -13.134 -15.267   3.437
  273   2HB   TYR  36          HB2       TYR  36 -13.368 -16.774   4.299
  274    HD1  TYR  36           HD1      TYR  36 -12.595 -16.851   6.782
  275    HD2  TYR  36           HD2      TYR  36 -13.180 -13.222   4.592
  276    HE1  TYR  36           HE1      TYR  36 -12.814 -15.562   8.962
  277    HE2  TYR  36           HE2      TYR  36 -13.397 -11.945   6.780
  278    HH   TYR  36           HH       TYR  36 -12.489 -13.276   9.740
  279   1HN   NH2  37          HN1       NH2 237  -9.954 -18.129   2.822
  280   2HN   NH2  37          HN2       NH2 237 -10.322 -17.897   1.146
  Start of MODEL   14
    1    H    TYR   1           H        TYR   1  -0.720  -5.554 -15.623
    2    HA   TYR   1           HA       TYR   1   0.477  -2.948 -15.852
    3   1HB   TYR   1          HB1       TYR   1   1.748  -5.696 -16.315
    4   2HB   TYR   1          HB2       TYR   1   2.503  -4.284 -15.603
    5    HD1  TYR   1           HD1      TYR   1   1.704  -3.528 -13.278
    6    HD2  TYR   1           HD2      TYR   1   0.743  -7.345 -14.955
    7    HE1  TYR   1           HE1      TYR   1   1.168  -4.421 -10.959
    8    HE2  TYR   1           HE2      TYR   1   0.210  -8.225 -12.630
    9    HH   TYR   1           HH       TYR   1   0.396  -7.829 -10.473
   10    HA   PRO   2           HA       PRO   2   0.003  -3.549 -20.275
   11   1HB   PRO   2          HB1       PRO   2  -0.595  -0.955 -20.895
   12   2HB   PRO   2          HB2       PRO   2  -1.816  -2.167 -20.562
   13   1HG   PRO   2          HG1       PRO   2  -0.883   0.047 -18.839
   14   2HG   PRO   2          HG2       PRO   2  -2.357  -0.892 -18.717
   15   1HD   PRO   2          HD1       PRO   2  -0.010  -1.166 -17.092
   16   2HD   PRO   2          HD2       PRO   2  -1.439  -2.179 -17.048
   17    H    SER   3           H        SER   3   1.281  -0.408 -19.269
   18    HA   SER   3           HA       SER   3   3.898  -1.207 -19.926
   19   1HB   SER   3          HB1       SER   3   2.806  -0.838 -22.222
   20   2HB   SER   3          HB2       SER   3   2.668   0.857 -21.799
   21    HG   SER   3           HG       SER   3   4.942  -0.645 -22.512
   22    H    LYS   4           H        LYS   4   3.862  -0.386 -17.643
   23    HA   LYS   4           HA       LYS   4   3.239   2.325 -17.138
   24   1HB   LYS   4          HB1       LYS   4   3.109   1.274 -15.161
   25   2HB   LYS   4          HB2       LYS   4   4.188  -0.015 -15.654
   26   1HG   LYS   4          HG1       LYS   4   6.146   1.560 -15.339
   27   2HG   LYS   4          HG2       LYS   4   5.034   2.775 -14.742
   28   1HD   LYS   4          HD1       LYS   4   4.576   1.593 -12.759
   29   2HD   LYS   4          HD2       LYS   4   4.969   0.039 -13.466
   30   1HE   LYS   4          HE1       LYS   4   7.419   1.123 -13.669
   31   2HE   LYS   4          HE2       LYS   4   6.831   2.156 -12.381
   32   1HZ   LYS   4          HZ1       LYS   4   6.558   0.365 -10.992
   33   2HZ   LYS   4          HZ2       LYS   4   6.499  -0.738 -12.195
   34   3HZ   LYS   4          HZ3       LYS   4   7.923  -0.047 -11.789
   35    HA   PRO   5           HA       PRO   5   6.914   4.149 -18.497
   36   1HB   PRO   5          HB1       PRO   5   6.722   6.579 -17.262
   37   2HB   PRO   5          HB2       PRO   5   5.881   6.191 -18.750
   38   1HG   PRO   5          HG1       PRO   5   4.796   6.406 -16.009
   39   2HG   PRO   5          HG2       PRO   5   3.936   6.443 -17.535
   40   1HD   PRO   5          HD1       PRO   5   4.086   4.241 -15.704
   41   2HD   PRO   5          HD2       PRO   5   3.325   4.241 -17.282
   42    H    ASP   6           H        ASP   6   8.602   5.962 -17.264
   43    HA   ASP   6           HA       ASP   6   9.544   4.250 -15.099
   44   1HB   ASP   6          HB1       ASP   6  11.164   6.016 -16.994
   45   2HB   ASP   6          HB2       ASP   6  11.840   5.049 -15.699
   46    H    ASN   7           H        ASN   7  10.067   5.326 -13.129
   47    HA   ASN   7           HA       ASN   7   8.991   7.865 -12.768
   48   1HB   ASN   7          HB1       ASN   7   9.990   7.694 -10.480
   49   2HB   ASN   7          HB2       ASN   7   9.184   6.204 -10.931
   50   1HD2  ASN   7          HD2       ASN   7  11.580   7.079  -9.199
   51   2HD2  ASN   7          HD2       ASN   7  12.828   5.939  -9.576
   52    HA   PRO   8           HA       PRO   8  12.673   9.935 -14.158
   53   1HB   PRO   8          HB1       PRO   8  11.616  12.451 -14.305
   54   2HB   PRO   8          HB2       PRO   8  11.513  11.291 -15.614
   55   1HG   PRO   8          HG1       PRO   8   9.405  12.151 -13.729
   56   2HG   PRO   8          HG2       PRO   8   9.232  11.341 -15.273
   57   1HD   PRO   8          HD1       PRO   8   8.990  10.152 -12.675
   58   2HD   PRO   8          HD2       PRO   8   8.933   9.321 -14.217
   59    H    GLY   9           H        GLY   9  10.684  11.568 -11.731
   60   1HA   GLY   9          HA1       GLY   9  12.154  11.359  -9.544
   61   2HA   GLY   9          HA2       GLY   9  13.122  12.517 -10.436
   62    H    GLU  10           H        GLU  10   9.558  11.965  -9.903
   63    HA   GLU  10           HA       GLU  10   9.449  14.710  -8.948
   64   1HB   GLU  10          HB1       GLU  10   7.178  13.658 -10.628
   65   2HB   GLU  10          HB2       GLU  10   7.676  15.316 -10.355
   66   1HG   GLU  10          HG1       GLU  10   9.720  14.945 -11.733
   67   2HG   GLU  10          HG2       GLU  10   9.263  13.271 -11.979
   68    H    ASP  11           H        ASP  11   9.630  13.096  -6.969
   69    HA   ASP  11           HA       ASP  11   7.570  11.430  -6.322
   70   1HB   ASP  11          HB1       ASP  11   9.890  12.426  -5.092
   71   2HB   ASP  11          HB2       ASP  11   8.612  12.970  -4.024
   72    H    ALA  12           H        ALA  12   5.534  11.751  -5.255
   73    HA   ALA  12           HA       ALA  12   4.798  14.119  -3.972
   74   1HB   ALA  12          HB1       ALA  12   3.630  15.344  -5.553
   75   2HB   ALA  12          HB2       ALA  12   4.963  14.722  -6.556
   76   3HB   ALA  12          HB3       ALA  12   3.367  13.935  -6.609
   77    HA   PRO  13           HA       PRO  13   1.618  11.409  -2.860
   78   1HB   PRO  13          HB1       PRO  13  -0.348  13.092  -1.982
   79   2HB   PRO  13          HB2       PRO  13   1.055  12.671  -1.019
   80   1HG   PRO  13          HG1       PRO  13   0.480  15.192  -2.452
   81   2HG   PRO  13          HG2       PRO  13   1.633  14.899  -1.165
   82   1HD   PRO  13          HD1       PRO  13   2.215  15.183  -3.960
   83   2HD   PRO  13          HD2       PRO  13   3.350  14.776  -2.689
   84    H    ALA  14           H        ALA  14  -0.568  10.535  -3.217
   85    HA   ALA  14           HA       ALA  14  -2.386  10.241  -4.496
   86   1HB   ALA  14          HB1       ALA  14  -1.586  12.347  -6.488
   87   2HB   ALA  14          HB2       ALA  14  -3.203  11.897  -5.897
   88   3HB   ALA  14          HB3       ALA  14  -2.114  12.857  -4.867
   89    H    GLU  15           H        GLU  15   0.575  11.153  -6.388
   90    HA   GLU  15           HA       GLU  15   0.017   9.016  -8.216
   91   1HB   GLU  15          HB1       GLU  15   1.241  11.469  -8.488
   92   2HB   GLU  15          HB2       GLU  15   2.639  10.418  -8.372
   93   1HG   GLU  15          HG1       GLU  15   0.783   9.097 -10.107
   94   2HG   GLU  15          HG2       GLU  15   0.811  10.777 -10.606
   95    H    ASP  16           H        ASP  16   1.353   9.233  -5.147
   96    HA   ASP  16           HA       ASP  16   3.357   7.211  -5.713
   97   1HB   ASP  16          HB1       ASP  16   2.881   9.202  -3.508
   98   2HB   ASP  16          HB2       ASP  16   3.656   7.697  -3.056
   99    H    LEU  17           H        LEU  17   0.196   7.861  -4.296
  100    HA   LEU  17           HA       LEU  17   0.042   5.806  -2.428
  101   1HB   LEU  17          HB1       LEU  17  -1.545   7.853  -3.250
  102   2HB   LEU  17          HB2       LEU  17  -2.405   6.484  -3.927
  103    HG   LEU  17           HG       LEU  17  -1.739   5.800  -1.245
  104   1HD1  LEU  17          HD1       LEU  17  -2.155   7.561   0.085
  105   2HD1  LEU  17          HD1       LEU  17  -1.698   8.519  -1.344
  106   3HD1  LEU  17          HD1       LEU  17  -3.415   8.214  -0.990
  107   1HD2  LEU  17          HD2       LEU  17  -3.965   5.264  -1.088
  108   2HD2  LEU  17          HD2       LEU  17  -4.490   6.669  -2.048
  109   3HD2  LEU  17          HD2       LEU  17  -3.749   5.266  -2.855
  110    H    ALA  18           H        ALA  18   0.299   5.724  -5.879
  111    HA   ALA  18           HA       ALA  18  -1.173   3.375  -6.370
  112   1HB   ALA  18          HB1       ALA  18   0.232   3.347  -8.468
  113   2HB   ALA  18          HB2       ALA  18  -0.596   4.892  -8.161
  114   3HB   ALA  18          HB3       ALA  18   1.141   4.728  -7.809
  115    H    ARG  19           H        ARG  19   2.303   4.028  -5.599
  116    HA   ARG  19           HA       ARG  19   3.164   1.446  -5.886
  117   1HB   ARG  19          HB1       ARG  19   4.131   3.610  -3.949
  118   2HB   ARG  19          HB2       ARG  19   5.033   2.154  -4.319
  119   1HG   ARG  19          HG1       ARG  19   4.133   3.635  -6.731
  120   2HG   ARG  19          HG2       ARG  19   5.220   4.556  -5.711
  121   1HD   ARG  19          HD1       ARG  19   6.759   2.475  -5.698
  122   2HD   ARG  19          HD2       ARG  19   5.738   1.824  -6.965
  123    HE   ARG  19           HE       ARG  19   7.610   4.086  -7.206
  124   1HH1  ARG  19          HH1       ARG  19   6.951   4.441 -10.615
  125   2HH1  ARG  19          HH1       ARG  19   7.988   4.903  -9.306
  126   1HH2  ARG  19          HH2       ARG  19   5.178   2.993 -10.235
  127   2HH2  ARG  19          HH2       ARG  19   4.891   2.374  -8.643
  128    H    TYR  20           H        TYR  20   1.133   2.914  -3.448
  129    HA   TYR  20           HA       TYR  20   1.680   0.799  -1.518
  130   1HB   TYR  20          HB1       TYR  20   1.427   2.947  -0.490
  131   2HB   TYR  20          HB2       TYR  20   0.294   3.495  -1.709
  132    HD1  TYR  20           HD1      TYR  20  -2.099   3.005  -1.520
  133    HD2  TYR  20           HD2      TYR  20   0.668   1.662   1.454
  134    HE1  TYR  20           HE1      TYR  20  -4.026   2.525   0.067
  135    HE2  TYR  20           HE2      TYR  20  -1.269   1.187   3.030
  136    HH   TYR  20           HH       TYR  20  -4.237   2.430   2.663
  137    H    TYR  21           H        TYR  21  -0.366   1.435  -4.202
  138    HA   TYR  21           HA       TYR  21  -2.529  -0.195  -3.095
  139   1HB   TYR  21          HB1       TYR  21  -2.107   1.990  -5.044
  140   2HB   TYR  21          HB2       TYR  21  -2.950   0.661  -5.814
  141    HD1  TYR  21           HD1      TYR  21  -5.158  -0.119  -4.883
  142    HD2  TYR  21           HD2      TYR  21  -3.213   3.423  -3.478
  143    HE1  TYR  21           HE1      TYR  21  -7.343   0.685  -3.864
  144    HE2  TYR  21           HE2      TYR  21  -5.405   4.216  -2.464
  145    HH   TYR  21           HH       TYR  21  -8.209   3.298  -3.295
  146    H    SER  22           H        SER  22   0.140  -0.194  -5.435
  147    HA   SER  22           HA       SER  22  -0.871  -2.483  -6.795
  148   1HB   SER  22          HB1       SER  22   1.477  -0.661  -7.014
  149   2HB   SER  22          HB2       SER  22   1.778  -2.308  -7.531
  150    HG   SER  22           HG       SER  22   0.209  -2.151  -9.120
  151    H    ALA  23           H        ALA  23   1.401  -1.724  -4.147
  152    HA   ALA  23           HA       ALA  23   2.457  -4.399  -4.074
  153   1HB   ALA  23          HB1       ALA  23   3.549  -2.076  -3.426
  154   2HB   ALA  23          HB2       ALA  23   2.762  -2.383  -1.859
  155   3HB   ALA  23          HB3       ALA  23   3.944  -3.547  -2.505
  156    H    LEU  24           H        LEU  24  -0.267  -2.602  -2.782
  157    HA   LEU  24           HA       LEU  24  -0.683  -4.076  -0.444
  158   1HB   LEU  24          HB1       LEU  24  -2.214  -2.518  -0.210
  159   2HB   LEU  24          HB2       LEU  24  -1.895  -1.960  -1.841
  160    HG   LEU  24           HG       LEU  24  -4.242  -2.313  -1.628
  161   1HD1  LEU  24          HD1       LEU  24  -2.648  -3.739  -3.512
  162   2HD1  LEU  24          HD1       LEU  24  -4.072  -4.734  -3.120
  163   3HD1  LEU  24          HD1       LEU  24  -4.285  -3.068  -3.710
  164   1HD2  LEU  24          HD2       LEU  24  -4.453  -5.144  -1.205
  165   2HD2  LEU  24          HD2       LEU  24  -3.511  -4.415   0.117
  166   3HD2  LEU  24          HD2       LEU  24  -5.140  -3.804  -0.256
  167    H    ARG  25           H        ARG  25  -0.789  -5.005  -3.747
  168    HA   ARG  25           HA       ARG  25  -2.819  -6.972  -3.343
  169   1HB   ARG  25          HB1       ARG  25  -2.099  -5.653  -5.559
  170   2HB   ARG  25          HB2       ARG  25  -0.943  -6.959  -5.723
  171   1HG   ARG  25          HG1       ARG  25  -2.556  -8.493  -6.268
  172   2HG   ARG  25          HG2       ARG  25  -3.669  -7.905  -5.049
  173   1HD   ARG  25          HD1       ARG  25  -4.866  -6.907  -6.701
  174   2HD   ARG  25          HD2       ARG  25  -3.524  -5.809  -6.957
  175    HE   ARG  25           HE       ARG  25  -3.205  -8.421  -8.273
  176   1HH1  ARG  25          HH1       ARG  25  -3.636  -7.039 -11.448
  177   2HH1  ARG  25          HH1       ARG  25  -3.146  -8.441 -10.557
  178   1HH2  ARG  25          HH2       ARG  25  -4.353  -5.140 -10.321
  179   2HH2  ARG  25          HH2       ARG  25  -4.397  -5.126  -8.590
  180    H    HIS  26           H        HIS  26   0.726  -6.957  -4.193
  181    HA   HIS  26           HA       HIS  26   1.051  -9.707  -3.925
  182   1HB   HIS  26          HB1       HIS  26   2.593  -7.531  -4.708
  183   2HB   HIS  26          HB2       HIS  26   3.421  -8.115  -3.279
  184    HD1  HIS  26           HD1      HIS  26   4.567  -8.358  -6.220
  185    HD2  HIS  26           HD2      HIS  26   2.595 -11.401  -4.112
  186    HE1  HIS  26           HE1      HIS  26   5.329 -10.559  -7.263
  187    H    TYR  27           H        TYR  27   0.605  -7.183  -1.571
  188    HA   TYR  27           HA       TYR  27   1.893  -8.680   0.548
  189   1HB   TYR  27          HB1       TYR  27   2.084  -6.326   0.836
  190   2HB   TYR  27          HB2       TYR  27   0.573  -6.012   0.006
  191    HD1  TYR  27           HD1      TYR  27  -0.941  -4.901   1.357
  192    HD2  TYR  27           HD2      TYR  27   1.513  -7.945   3.095
  193    HE1  TYR  27           HE1      TYR  27  -2.093  -4.560   3.598
  194    HE2  TYR  27           HE2      TYR  27   0.353  -7.593   5.330
  195    HH   TYR  27           HH       TYR  27  -2.504  -5.703   5.600
  196    H    ILE  28           H        ILE  28  -1.418  -7.757  -0.557
  197    HA   ILE  28           HA       ILE  28  -2.600  -9.163   1.664
  198    HB   ILE  28           HB       ILE  28  -3.702  -7.655  -0.701
  199   1HG1  ILE  28          1HG1      ILE  28  -2.680  -6.294   1.060
  200   2HG1  ILE  28          2HG1      ILE  28  -4.412  -6.041   0.970
  201   1HG2  ILE  28          1HG2      ILE  28  -5.273  -9.411  -0.315
  202   2HG2  ILE  28          2HG2      ILE  28  -5.195  -9.177   1.448
  203   3HG2  ILE  28          3HG2      ILE  28  -5.929  -7.926   0.416
  204   1HD1  ILE  28          1HD1      ILE  28  -2.859  -7.634   3.040
  205   2HD1  ILE  28          2HD1      ILE  28  -3.957  -6.257   3.299
  206   3HD1  ILE  28          3HD1      ILE  28  -4.614  -7.843   2.828
  207    H    ASN  29           H        ASN  29  -1.144 -10.047  -1.245
  208    HA   ASN  29           HA       ASN  29  -2.874 -11.822  -2.362
  209   1HB   ASN  29          HB1       ASN  29  -0.968 -12.728  -3.471
  210   2HB   ASN  29          HB2       ASN  29  -0.456 -11.100  -3.071
  211   1HD2  ASN  29          HD2       ASN  29   0.079 -11.232  -0.416
  212   2HD2  ASN  29          HD2       ASN  29   1.406 -12.297  -0.091
  213    H    LEU  30           H        LEU  30  -1.269 -11.875   0.739
  214    HA   LEU  30           HA       LEU  30  -1.267 -14.728   1.032
  215   1HB   LEU  30          HB1       LEU  30   0.317 -14.105   2.434
  216   2HB   LEU  30          HB2       LEU  30  -0.194 -12.429   2.390
  217    HG   LEU  30           HG       LEU  30  -1.939 -12.982   4.116
  218   1HD1  LEU  30          HD1       LEU  30  -1.323 -15.617   3.482
  219   2HD1  LEU  30          HD1       LEU  30  -0.596 -15.373   5.089
  220   3HD1  LEU  30          HD1       LEU  30  -2.328 -15.051   4.837
  221   1HD2  LEU  30          HD2       LEU  30  -0.509 -12.296   5.690
  222   2HD2  LEU  30          HD2       LEU  30   0.533 -13.726   5.502
  223   3HD2  LEU  30          HD2       LEU  30   0.720 -12.338   4.404
  224    H    ALA  31           H        ALA  31  -3.573 -12.150   1.280
  225    HA   ALA  31           HA       ALA  31  -5.304 -13.852   2.933
  226   1HB   ALA  31          HB1       ALA  31  -4.747 -10.977   2.814
  227   2HB   ALA  31          HB2       ALA  31  -6.487 -11.334   2.699
  228   3HB   ALA  31          HB3       ALA  31  -5.546 -11.929   4.087
  229   1HN   AIB  32          1HN       AIB  32  -5.292 -15.012   0.631
  230   1HB1  AIB  32          1HB1      AIB  32  -6.753 -16.032  -2.522
  231   2HB1  AIB  32          2HB1      AIB  32  -6.460 -16.839  -0.959
  232   3HB1  AIB  32          3HB1      AIB  32  -5.182 -15.854  -1.691
  233   1HB2  AIB  32          1HB2      AIB  32  -6.281 -12.599  -1.381
  234   2HB2  AIB  32          2HB2      AIB  32  -7.908 -13.067  -1.902
  235   3HB2  AIB  32          3HB2      AIB  32  -6.484 -13.719  -2.756
  236    H    ARG  33           H        ARG  33  -7.642 -15.276   1.623
  237    HA   ARG  33           HA       ARG  33 -10.144 -16.253   0.803
  238   1HB   ARG  33          HB1       ARG  33  -9.680 -17.260   2.814
  239   2HB   ARG  33          HB2       ARG  33  -8.612 -15.966   3.318
  240   1HG   ARG  33          HG1       ARG  33 -10.589 -16.110   4.808
  241   2HG   ARG  33          HG2       ARG  33 -10.548 -14.570   3.973
  242   1HD   ARG  33          HD1       ARG  33 -12.000 -16.189   2.206
  243   2HD   ARG  33          HD2       ARG  33 -12.531 -16.758   3.776
  244    HE   ARG  33           HE       ARG  33 -13.107 -14.162   2.591
  245   1HH1  ARG  33          HH1       ARG  33 -14.638 -12.917   5.470
  246   2HH1  ARG  33          HH1       ARG  33 -14.391 -12.685   3.771
  247   1HH2  ARG  33          HH2       ARG  33 -13.664 -14.727   6.547
  248   2HH2  ARG  33          HH2       ARG  33 -12.691 -15.847   5.653
  249    H    GLN  34           H        GLN  34  -8.974 -13.248   2.455
  250    HA   GLN  34           HA       GLN  34 -11.283 -12.082   3.114
  251   1HB   GLN  34          HB1       GLN  34  -8.579 -11.207   2.490
  252   2HB   GLN  34          HB2       GLN  34  -9.728 -10.002   1.944
  253   1HG   GLN  34          HG1       GLN  34 -10.839 -10.418   4.339
  254   2HG   GLN  34          HG2       GLN  34  -9.248 -11.031   4.747
  255   1HE2  GLN  34          1HE2      GLN  34 -10.395  -8.794   5.926
  256   2HE2  GLN  34          2HE2      GLN  34  -9.487  -7.376   5.521
  257    H    ARG  35           H        ARG  35  -9.714 -11.961  -0.157
  258    HA   ARG  35           HA       ARG  35 -12.117 -10.730  -1.165
  259   1HB   ARG  35          HB1       ARG  35  -9.288 -11.070  -2.135
  260   2HB   ARG  35          HB2       ARG  35 -10.528 -10.964  -3.370
  261   1HG   ARG  35          HG1       ARG  35 -11.061  -8.931  -1.381
  262   2HG   ARG  35          HG2       ARG  35  -9.369  -8.828  -1.827
  263   1HD   ARG  35          HD1       ARG  35 -10.291  -7.499  -3.505
  264   2HD   ARG  35          HD2       ARG  35 -10.331  -9.053  -4.316
  265    HE   ARG  35           HE       ARG  35 -12.741  -8.493  -2.735
  266   1HH1  ARG  35          HH1       ARG  35 -14.694  -7.983  -5.581
  267   2HH1  ARG  35          HH1       ARG  35 -14.708  -8.227  -3.867
  268   1HH2  ARG  35          HH2       ARG  35 -12.677  -7.927  -6.729
  269   2HH2  ARG  35          HH2       ARG  35 -11.186  -8.129  -5.870
  270    H    TYR  36           H        TYR  36 -12.130 -13.548  -0.219
  271    HA   TYR  36           HA       TYR  36 -12.921 -15.524  -0.834
  272   1HB   TYR  36          HB1       TYR  36 -13.476 -14.331  -3.597
  273   2HB   TYR  36          HB2       TYR  36 -14.463 -15.480  -2.717
  274    HD1  TYR  36           HD1      TYR  36 -15.616 -14.624  -0.542
  275    HD2  TYR  36           HD2      TYR  36 -14.000 -12.044  -3.548
  276    HE1  TYR  36           HE1      TYR  36 -17.069 -12.717   0.303
  277    HE2  TYR  36           HE2      TYR  36 -15.459 -10.145  -2.692
  278    HH   TYR  36           HH       TYR  36 -16.870 -10.141   0.244
  279   1HN   NH2  37          HN1       NH2 237 -11.364 -16.972  -1.017
  280   2HN   NH2  37          HN2       NH2 237 -10.356 -17.234  -2.400
  Start of MODEL   15
    1    H    TYR   1           H        TYR   1  -1.501  -6.802 -26.154
    2    HA   TYR   1           HA       TYR   1  -1.873  -6.194 -23.598
    3   1HB   TYR   1          HB1       TYR   1  -0.912  -4.425 -24.806
    4   2HB   TYR   1          HB2       TYR   1  -1.849  -4.799 -26.239
    5    HD1  TYR   1           HD1      TYR   1  -2.035  -3.101 -22.926
    6    HD2  TYR   1           HD2      TYR   1  -3.746  -3.508 -26.826
    7    HE1  TYR   1           HE1      TYR   1  -3.512  -1.077 -22.497
    8    HE2  TYR   1           HE2      TYR   1  -5.217  -1.482 -26.384
    9    HH   TYR   1           HH       TYR   1  -4.766   0.703 -24.544
   10    HA   PRO   2           HA       PRO   2  -6.279  -6.411 -23.268
   11   1HB   PRO   2          HB1       PRO   2  -6.362  -6.871 -20.575
   12   2HB   PRO   2          HB2       PRO   2  -6.252  -8.154 -21.764
   13   1HG   PRO   2          HG1       PRO   2  -4.144  -7.086 -19.988
   14   2HG   PRO   2          HG2       PRO   2  -4.182  -8.609 -20.854
   15   1HD   PRO   2          HD1       PRO   2  -2.688  -6.266 -21.567
   16   2HD   PRO   2          HD2       PRO   2  -2.818  -7.748 -22.493
   17    H    SER   3           H        SER   3  -4.419  -4.798 -20.728
   18    HA   SER   3           HA       SER   3  -5.301  -2.296 -21.425
   19   1HB   SER   3          HB1       SER   3  -7.164  -3.804 -19.649
   20   2HB   SER   3          HB2       SER   3  -6.773  -2.184 -19.108
   21    HG   SER   3           HG       SER   3  -8.615  -2.759 -20.851
   22    H    LYS   4           H        LYS   4  -5.214  -4.001 -18.205
   23    HA   LYS   4           HA       LYS   4  -3.754  -3.926 -16.544
   24   1HB   LYS   4          HB1       LYS   4  -1.634  -4.124 -17.181
   25   2HB   LYS   4          HB2       LYS   4  -2.114  -3.657 -18.800
   26   1HG   LYS   4          HG1       LYS   4  -1.760  -1.264 -18.250
   27   2HG   LYS   4          HG2       LYS   4  -1.371  -1.679 -16.593
   28   1HD   LYS   4          HD1       LYS   4   0.196  -2.802 -18.954
   29   2HD   LYS   4          HD2       LYS   4   0.621  -1.282 -18.193
   30   1HE   LYS   4          HE1       LYS   4   0.666  -2.585 -15.950
   31   2HE   LYS   4          HE2       LYS   4   0.589  -4.047 -16.912
   32   1HZ   LYS   4          HZ1       LYS   4   2.625  -1.976 -17.329
   33   2HZ   LYS   4          HZ2       LYS   4   2.850  -3.269 -16.358
   34   3HZ   LYS   4          HZ3       LYS   4   2.604  -3.482 -17.958
   35    HA   PRO   5           HA       PRO   5  -4.467  -0.060 -14.768
   36   1HB   PRO   5          HB1       PRO   5  -2.792  -0.069 -12.608
   37   2HB   PRO   5          HB2       PRO   5  -4.328  -0.913 -12.634
   38   1HG   PRO   5          HG1       PRO   5  -1.598  -2.026 -12.850
   39   2HG   PRO   5          HG2       PRO   5  -3.091  -2.851 -12.450
   40   1HD   PRO   5          HD1       PRO   5  -1.712  -2.920 -14.964
   41   2HD   PRO   5          HD2       PRO   5  -3.263  -3.650 -14.599
   42    H    ASP   6           H        ASP   6  -4.108   1.883 -15.614
   43    HA   ASP   6           HA       ASP   6  -1.380   2.779 -15.452
   44   1HB   ASP   6          HB1       ASP   6  -2.708   1.967 -17.948
   45   2HB   ASP   6          HB2       ASP   6  -2.217   3.648 -18.011
   46    H    ASN   7           H        ASN   7  -1.294   5.220 -15.939
   47    HA   ASN   7           HA       ASN   7  -3.483   6.728 -16.497
   48   1HB   ASN   7          HB1       ASN   7  -3.599   5.671 -13.796
   49   2HB   ASN   7          HB2       ASN   7  -3.324   7.398 -13.689
   50   1HD2  ASN   7          HD2       ASN   7  -5.451   7.413 -12.735
   51   2HD2  ASN   7          HD2       ASN   7  -6.863   7.483 -13.736
   52    HA   PRO   8           HA       PRO   8  -0.274   9.685 -16.053
   53   1HB   PRO   8          HB1       PRO   8  -1.610  12.057 -15.818
   54   2HB   PRO   8          HB2       PRO   8  -1.369  11.241 -17.350
   55   1HG   PRO   8          HG1       PRO   8  -3.826  11.430 -15.716
   56   2HG   PRO   8          HG2       PRO   8  -3.663  11.003 -17.408
   57   1HD   PRO   8          HD1       PRO   8  -4.133   9.207 -15.222
   58   2HD   PRO   8          HD2       PRO   8  -3.854   8.770 -16.896
   59    H    GLY   9           H        GLY   9   0.934  11.227 -14.727
   60   1HA   GLY   9          HA1       GLY   9  -0.069  11.285 -11.963
   61   2HA   GLY   9          HA2       GLY   9   1.498  10.571 -12.290
   62    H    GLU  10           H        GLU  10   3.034  12.007 -13.711
   63    HA   GLU  10           HA       GLU  10   4.340  13.771 -13.518
   64   1HB   GLU  10          HB1       GLU  10   1.976  15.523 -14.187
   65   2HB   GLU  10          HB2       GLU  10   3.593  15.547 -14.860
   66   1HG   GLU  10          HG1       GLU  10   2.969  13.120 -15.743
   67   2HG   GLU  10          HG2       GLU  10   1.318  13.643 -15.476
   68    H    ASP  11           H        ASP  11   4.752  13.760 -11.218
   69    HA   ASP  11           HA       ASP  11   4.741  14.520  -9.183
   70   1HB   ASP  11          HB1       ASP  11   5.008  16.699 -10.853
   71   2HB   ASP  11          HB2       ASP  11   3.633  17.204  -9.890
   72    H    ALA  12           H        ALA  12   3.002  13.368  -8.175
   73    HA   ALA  12           HA       ALA  12   0.790  14.907  -7.340
   74   1HB   ALA  12          HB1       ALA  12  -0.951  14.111  -8.620
   75   2HB   ALA  12          HB2       ALA  12   0.342  14.053  -9.843
   76   3HB   ALA  12          HB3       ALA  12  -0.130  12.572  -8.976
   77    HA   PRO  13           HA       PRO  13   1.007  11.807  -4.334
   78   1HB   PRO  13          HB1       PRO  13  -1.425  12.026  -3.107
   79   2HB   PRO  13          HB2       PRO  13  -0.090  13.114  -2.787
   80   1HG   PRO  13          HG1       PRO  13  -2.538  13.600  -4.372
   81   2HG   PRO  13          HG2       PRO  13  -1.420  14.766  -3.693
   82   1HD   PRO  13          HD1       PRO  13  -1.596  13.955  -6.438
   83   2HD   PRO  13          HD2       PRO  13  -0.405  15.033  -5.738
   84    H    ALA  14           H        ALA  14  -1.152  11.579  -6.885
   85    HA   ALA  14           HA       ALA  14  -2.426   9.178  -6.143
   86   1HB   ALA  14          HB1       ALA  14  -2.607  11.063  -8.183
   87   2HB   ALA  14          HB2       ALA  14  -2.020   9.606  -9.021
   88   3HB   ALA  14          HB3       ALA  14  -3.529   9.544  -8.079
   89    H    GLU  15           H        GLU  15   0.743  10.000  -7.512
   90    HA   GLU  15           HA       GLU  15   1.213   7.307  -8.339
   91   1HB   GLU  15          HB1       GLU  15   2.162   9.336  -9.513
   92   2HB   GLU  15          HB2       GLU  15   3.174   9.633  -8.113
   93   1HG   GLU  15          HG1       GLU  15   3.308   6.845  -9.161
   94   2HG   GLU  15          HG2       GLU  15   3.900   8.065 -10.271
   95    H    ASP  16           H        ASP  16   1.374   9.115  -5.404
   96    HA   ASP  16           HA       ASP  16   3.522   7.558  -4.323
   97   1HB   ASP  16          HB1       ASP  16   1.733   9.792  -3.345
   98   2HB   ASP  16          HB2       ASP  16   2.585   8.826  -2.156
   99    H    LEU  17           H        LEU  17   0.000   7.593  -4.547
  100    HA   LEU  17           HA       LEU  17  -0.295   5.742  -2.326
  101   1HB   LEU  17          HB1       LEU  17  -1.847   7.795  -3.332
  102   2HB   LEU  17          HB2       LEU  17  -2.658   6.360  -3.929
  103    HG   LEU  17           HG       LEU  17  -2.082   5.844  -1.210
  104   1HD1  LEU  17          HD1       LEU  17  -3.626   8.398  -1.245
  105   2HD1  LEU  17          HD1       LEU  17  -2.648   7.661   0.047
  106   3HD1  LEU  17          HD1       LEU  17  -1.849   8.482  -1.315
  107   1HD2  LEU  17          HD2       LEU  17  -4.029   4.880  -1.747
  108   2HD2  LEU  17          HD2       LEU  17  -4.755   6.435  -1.272
  109   3HD2  LEU  17          HD2       LEU  17  -4.409   6.100  -2.986
  110    H    ALA  18           H        ALA  18   0.049   5.825  -5.813
  111    HA   ALA  18           HA       ALA  18  -1.287   3.446  -6.433
  112   1HB   ALA  18          HB1       ALA  18  -0.372   5.339  -7.949
  113   2HB   ALA  18          HB2       ALA  18   1.183   4.479  -7.848
  114   3HB   ALA  18          HB3       ALA  18  -0.241   3.665  -8.540
  115    H    ARG  19           H        ARG  19   2.165   4.149  -5.577
  116    HA   ARG  19           HA       ARG  19   3.062   1.580  -5.879
  117   1HB   ARG  19          HB1       ARG  19   4.941   2.283  -4.388
  118   2HB   ARG  19          HB2       ARG  19   4.565   3.520  -5.571
  119   1HG   ARG  19          HG1       ARG  19   3.644   4.969  -3.985
  120   2HG   ARG  19          HG2       ARG  19   3.124   3.668  -2.933
  121   1HD   ARG  19          HD1       ARG  19   5.958   3.458  -3.009
  122   2HD   ARG  19          HD2       ARG  19   5.634   5.177  -2.895
  123    HE   ARG  19           HE       ARG  19   4.873   4.855  -0.710
  124   1HH1  ARG  19          HH1       ARG  19   4.086   1.941   1.041
  125   2HH1  ARG  19          HH1       ARG  19   4.307   3.655   1.150
  126   1HH2  ARG  19          HH2       ARG  19   4.366   0.862  -0.995
  127   2HH2  ARG  19          HH2       ARG  19   4.795   1.772  -2.405
  128    H    TYR  20           H        TYR  20   0.982   2.997  -3.453
  129    HA   TYR  20           HA       TYR  20   1.537   0.872  -1.535
  130   1HB   TYR  20          HB1       TYR  20   1.245   3.007  -0.491
  131   2HB   TYR  20          HB2       TYR  20   0.118   3.551  -1.717
  132    HD1  TYR  20           HD1      TYR  20   0.416   1.234   1.197
  133    HD2  TYR  20           HD2      TYR  20  -2.205   3.488  -1.324
  134    HE1  TYR  20           HE1      TYR  20  -1.531   0.719   2.749
  135    HE2  TYR  20           HE2      TYR  20  -4.143   2.966   0.237
  136    HH   TYR  20           HH       TYR  20  -4.808   1.816   1.953
  137    H    TYR  21           H        TYR  21  -0.485   1.502  -4.238
  138    HA   TYR  21           HA       TYR  21  -2.638  -0.167  -3.169
  139   1HB   TYR  21          HB1       TYR  21  -2.227   2.046  -5.090
  140   2HB   TYR  21          HB2       TYR  21  -3.043   0.714  -5.884
  141    HD1  TYR  21           HD1      TYR  21  -4.818  -0.367  -3.838
  142    HD2  TYR  21           HD2      TYR  21  -3.799   3.705  -4.667
  143    HE1  TYR  21           HE1      TYR  21  -7.026   0.397  -2.837
  144    HE2  TYR  21           HE2      TYR  21  -6.012   4.455  -3.663
  145    HH   TYR  21           HH       TYR  21  -8.320   2.063  -2.398
  146    H    SER  22           H        SER  22   0.051  -0.100  -5.487
  147    HA   SER  22           HA       SER  22  -0.914  -2.392  -6.875
  148   1HB   SER  22          HB1       SER  22   1.139  -0.389  -7.237
  149   2HB   SER  22          HB2       SER  22   1.885  -1.970  -7.358
  150    HG   SER  22           HG       SER  22  -0.288  -2.288  -8.774
  151    H    ALA  23           H        ALA  23   1.302  -1.620  -4.190
  152    HA   ALA  23           HA       ALA  23   2.415  -4.277  -4.141
  153   1HB   ALA  23          HB1       ALA  23   2.675  -1.794  -2.414
  154   2HB   ALA  23          HB2       ALA  23   3.464  -3.335  -2.003
  155   3HB   ALA  23          HB3       ALA  23   3.879  -2.499  -3.518
  156    H    LEU  24           H        LEU  24  -0.355  -2.547  -2.869
  157    HA   LEU  24           HA       LEU  24  -0.758  -4.042  -0.538
  158   1HB   LEU  24          HB1       LEU  24  -2.324  -2.522  -0.300
  159   2HB   LEU  24          HB2       LEU  24  -1.989  -1.930  -1.915
  160    HG   LEU  24           HG       LEU  24  -4.332  -2.322  -1.749
  161   1HD1  LEU  24          HD1       LEU  24  -4.325  -3.046  -3.842
  162   2HD1  LEU  24          HD1       LEU  24  -2.687  -3.707  -3.622
  163   3HD1  LEU  24          HD1       LEU  24  -4.110  -4.718  -3.270
  164   1HD2  LEU  24          HD2       LEU  24  -4.508  -5.162  -1.366
  165   2HD2  LEU  24          HD2       LEU  24  -3.600  -4.435  -0.018
  166   3HD2  LEU  24          HD2       LEU  24  -5.233  -3.845  -0.413
  167    H    ARG  25           H        ARG  25  -0.816  -4.951  -3.846
  168    HA   ARG  25           HA       ARG  25  -2.838  -6.927  -3.512
  169   1HB   ARG  25          HB1       ARG  25  -2.145  -5.657  -5.701
  170   2HB   ARG  25          HB2       ARG  25  -0.819  -6.799  -5.791
  171   1HG   ARG  25          HG1       ARG  25  -2.203  -8.335  -6.714
  172   2HG   ARG  25          HG2       ARG  25  -3.171  -8.341  -5.253
  173   1HD   ARG  25          HD1       ARG  25  -4.498  -6.408  -6.103
  174   2HD   ARG  25          HD2       ARG  25  -3.509  -6.347  -7.548
  175    HE   ARG  25           HE       ARG  25  -4.611  -8.258  -8.385
  176   1HH1  ARG  25          HH1       ARG  25  -7.226 -10.086  -6.970
  177   2HH1  ARG  25          HH1       ARG  25  -6.302  -9.795  -8.406
  178   1HH2  ARG  25          HH2       ARG  25  -6.747  -8.914  -5.025
  179   2HH2  ARG  25          HH2       ARG  25  -5.465  -7.749  -5.009
  180    H    HIS  26           H        HIS  26   0.709  -7.018  -4.371
  181    HA   HIS  26           HA       HIS  26   1.010  -9.735  -4.001
  182   1HB   HIS  26          HB1       HIS  26   2.574  -7.695  -4.884
  183   2HB   HIS  26          HB2       HIS  26   3.322  -8.002  -3.329
  184    HD1  HIS  26           HD1      HIS  26   5.183  -8.642  -5.461
  185    HD2  HIS  26           HD2      HIS  26   2.232 -11.404  -4.339
  186    HE1  HIS  26           HE1      HIS  26   5.994 -10.922  -6.268
  187    H    TYR  27           H        TYR  27   0.650  -7.127  -1.683
  188    HA   TYR  27           HA       TYR  27   1.827  -8.614   0.485
  189   1HB   TYR  27          HB1       TYR  27   1.983  -6.245   0.717
  190   2HB   TYR  27          HB2       TYR  27   0.462  -5.974  -0.111
  191    HD1  TYR  27           HD1      TYR  27  -0.646  -4.531   1.396
  192    HD2  TYR  27           HD2      TYR  27   1.030  -8.195   2.833
  193    HE1  TYR  27           HE1      TYR  27  -1.798  -4.188   3.637
  194    HE2  TYR  27           HE2      TYR  27  -0.127  -7.840   5.069
  195    HH   TYR  27           HH       TYR  27  -0.942  -5.757   6.361
  196    H    ILE  28           H        ILE  28  -1.461  -7.769  -0.734
  197    HA   ILE  28           HA       ILE  28  -2.677  -9.170   1.479
  198    HB   ILE  28           HB       ILE  28  -3.744  -7.661  -0.900
  199   1HG1  ILE  28          1HG1      ILE  28  -2.775  -6.301   0.891
  200   2HG1  ILE  28          2HG1      ILE  28  -4.507  -6.065   0.766
  201   1HG2  ILE  28          1HG2      ILE  28  -5.129  -9.530   0.951
  202   2HG2  ILE  28          2HG2      ILE  28  -5.942  -7.987   0.596
  203   3HG2  ILE  28          3HG2      ILE  28  -5.498  -9.086  -0.733
  204   1HD1  ILE  28          1HD1      ILE  28  -4.446  -6.403   3.035
  205   2HD1  ILE  28          2HD1      ILE  28  -4.447  -8.122   2.574
  206   3HD1  ILE  28          3HD1      ILE  28  -2.914  -7.304   2.960
  207    H    ASN  29           H        ASN  29  -1.122 -10.064  -1.354
  208    HA   ASN  29           HA       ASN  29  -2.846 -11.857  -2.502
  209   1HB   ASN  29          HB1       ASN  29  -0.869 -12.828  -3.531
  210   2HB   ASN  29          HB2       ASN  29  -0.547 -11.115  -3.352
  211   1HD2  ASN  29          HD2       ASN  29   1.355 -13.222  -3.609
  212   2HD2  ASN  29          HD2       ASN  29   2.347 -13.250  -2.189
  213    H    LEU  30           H        LEU  30  -1.158 -11.885   0.570
  214    HA   LEU  30           HA       LEU  30  -1.329 -14.770   0.836
  215   1HB   LEU  30          HB1       LEU  30   0.571 -14.315   1.883
  216   2HB   LEU  30          HB2       LEU  30   0.199 -12.609   2.030
  217    HG   LEU  30           HG       LEU  30  -1.223 -13.134   4.022
  218   1HD1  LEU  30          HD1       LEU  30  -1.063 -15.750   3.125
  219   2HD1  LEU  30          HD1       LEU  30   0.003 -15.728   4.549
  220   3HD1  LEU  30          HD1       LEU  30  -1.691 -15.204   4.698
  221   1HD2  LEU  30          HD2       LEU  30   1.394 -14.234   4.811
  222   2HD2  LEU  30          HD2       LEU  30   1.469 -12.733   3.858
  223   3HD2  LEU  30          HD2       LEU  30   0.534 -12.780   5.371
  224    H    ALA  31           H        ALA  31  -3.212 -11.922   1.404
  225    HA   ALA  31           HA       ALA  31  -4.798 -13.320   3.434
  226   1HB   ALA  31          HB1       ALA  31  -5.396 -10.502   2.679
  227   2HB   ALA  31          HB2       ALA  31  -5.311 -11.264   4.286
  228   3HB   ALA  31          HB3       ALA  31  -3.816 -10.785   3.448
  229   1HN   AIB  32          1HN       AIB  32  -5.093 -14.556   1.060
  230   1HB1  AIB  32          1HB1      AIB  32  -5.499 -15.656  -0.980
  231   2HB1  AIB  32          2HB1      AIB  32  -7.156 -15.788  -1.628
  232   3HB1  AIB  32          3HB1      AIB  32  -6.782 -16.459  -0.031
  233   1HB2  AIB  32          1HB2      AIB  32  -7.428 -12.203  -0.699
  234   2HB2  AIB  32          2HB2      AIB  32  -7.609 -13.414  -1.979
  235   3HB2  AIB  32          3HB2      AIB  32  -5.978 -12.880  -1.490
  236    H    ARG  33           H        ARG  33  -7.397 -15.221   2.349
  237    HA   ARG  33           HA       ARG  33 -10.003 -15.813   2.141
  238   1HB   ARG  33          HB1       ARG  33  -9.288 -16.490   4.216
  239   2HB   ARG  33          HB2       ARG  33  -8.125 -15.186   4.339
  240   1HG   ARG  33          HG1       ARG  33  -9.872 -14.972   6.084
  241   2HG   ARG  33          HG2       ARG  33  -9.913 -13.602   4.992
  242   1HD   ARG  33          HD1       ARG  33 -12.097 -14.041   4.559
  243   2HD   ARG  33          HD2       ARG  33 -11.630 -15.563   3.826
  244    HE   ARG  33           HE       ARG  33 -12.675 -15.175   6.554
  245   1HH1  ARG  33          HH1       ARG  33 -12.685 -18.608   7.179
  246   2HH1  ARG  33          HH1       ARG  33 -13.209 -17.055   7.739
  247   1HH2  ARG  33          HH2       ARG  33 -11.441 -18.779   5.227
  248   2HH2  ARG  33          HH2       ARG  33 -11.037 -17.354   4.330
  249    H    GLN  34           H        GLN  34  -8.501 -12.622   2.894
  250    HA   GLN  34           HA       GLN  34 -10.770 -11.285   3.637
  251   1HB   GLN  34          HB1       GLN  34  -8.205 -10.395   2.281
  252   2HB   GLN  34          HB2       GLN  34  -9.463  -9.238   2.670
  253   1HG   GLN  34          HG1       GLN  34  -9.090 -10.876   5.000
  254   2HG   GLN  34          HG2       GLN  34  -7.493 -10.426   4.434
  255   1HE2  GLN  34          1HE2      GLN  34 -10.481  -9.371   5.794
  256   2HE2  GLN  34          2HE2      GLN  34 -10.061  -7.722   6.117
  257    H    ARG  35           H        ARG  35  -9.921 -12.630   0.563
  258    HA   ARG  35           HA       ARG  35 -11.545 -10.765  -0.887
  259   1HB   ARG  35          HB1       ARG  35  -9.343 -12.195  -1.613
  260   2HB   ARG  35          HB2       ARG  35 -10.574 -13.323  -2.146
  261   1HG   ARG  35          HG1       ARG  35 -11.521 -10.827  -3.050
  262   2HG   ARG  35          HG2       ARG  35  -9.790 -10.731  -3.307
  263   1HD   ARG  35          HD1       ARG  35  -9.804 -12.351  -4.948
  264   2HD   ARG  35          HD2       ARG  35 -10.998 -13.331  -4.120
  265    HE   ARG  35           HE       ARG  35 -12.386 -11.037  -4.956
  266   1HH1  ARG  35          HH1       ARG  35 -13.194 -12.009  -8.209
  267   2HH1  ARG  35          HH1       ARG  35 -13.579 -10.939  -6.903
  268   1HH2  ARG  35          HH2       ARG  35 -11.467 -13.543  -7.982
  269   2HH2  ARG  35          HH2       ARG  35 -10.563 -13.617  -6.506
  270    H    TYR  36           H        TYR  36 -12.559 -12.734   1.293
  271    HA   TYR  36           HA       TYR  36 -14.927 -13.503  -0.124
  272   1HB   TYR  36          HB1       TYR  36 -13.277 -15.641   1.328
  273   2HB   TYR  36          HB2       TYR  36 -14.607 -15.906   0.218
  274    HD1  TYR  36           HD1      TYR  36 -14.268 -15.728  -2.222
  275    HD2  TYR  36           HD2      TYR  36 -11.018 -15.248   0.518
  276    HE1  TYR  36           HE1      TYR  36 -12.610 -16.039  -4.123
  277    HE2  TYR  36           HE2      TYR  36  -9.370 -15.560  -1.393
  278    HH   TYR  36           HH       TYR  36  -9.352 -16.649  -3.590
  279   1HN   NH2  37          HN1       NH2 237 -12.934 -14.024   2.789
  280   2HN   NH2  37          HN2       NH2 237 -14.192 -13.747   3.947
  Start of MODEL   16
    1    H    TYR   1           H        TYR   1   7.350  12.602 -23.612
    2    HA   TYR   1           HA       TYR   1   8.049  14.701 -24.695
    3   1HB   TYR   1          HB1       TYR   1   8.570  15.536 -21.795
    4   2HB   TYR   1          HB2       TYR   1   8.492  16.577 -23.203
    5    HD1  TYR   1           HD1      TYR   1   5.990  16.091 -24.475
    6    HD2  TYR   1           HD2      TYR   1   6.880  16.018 -20.291
    7    HE1  TYR   1           HE1      TYR   1   3.560  16.619 -23.942
    8    HE2  TYR   1           HE2      TYR   1   4.447  16.545 -19.772
    9    HH   TYR   1           HH       TYR   1   2.169  17.273 -22.361
   10    HA   PRO   2           HA       PRO   2  11.682  12.319 -23.687
   11   1HB   PRO   2          HB1       PRO   2  12.526  11.937 -26.258
   12   2HB   PRO   2          HB2       PRO   2  11.467  10.819 -25.421
   13   1HG   PRO   2          HG1       PRO   2  10.797  12.776 -27.532
   14   2HG   PRO   2          HG2       PRO   2   9.878  11.385 -26.993
   15   1HD   PRO   2          HD1       PRO   2   9.362  14.135 -26.358
   16   2HD   PRO   2          HD2       PRO   2   8.515  12.736 -25.727
   17    H    SER   3           H        SER   3  12.668  14.003 -22.563
   18    HA   SER   3           HA       SER   3  14.489  15.410 -24.325
   19   1HB   SER   3          HB1       SER   3  12.286  16.621 -22.855
   20   2HB   SER   3          HB2       SER   3  13.809  17.247 -22.256
   21    HG   SER   3           HG       SER   3  13.400  17.072 -25.088
   22    H    LYS   4           H        LYS   4  15.908  13.661 -23.405
   23    HA   LYS   4           HA       LYS   4  17.489  12.966 -22.032
   24   1HB   LYS   4          HB1       LYS   4  18.844  14.635 -21.469
   25   2HB   LYS   4          HB2       LYS   4  17.568  15.763 -21.879
   26   1HG   LYS   4          HG1       LYS   4  16.658  15.528 -19.530
   27   2HG   LYS   4          HG2       LYS   4  18.012  14.487 -19.138
   28   1HD   LYS   4          HD1       LYS   4  19.281  16.309 -18.693
   29   2HD   LYS   4          HD2       LYS   4  19.126  16.823 -20.361
   30   1HE   LYS   4          HE1       LYS   4  18.174  18.664 -19.301
   31   2HE   LYS   4          HE2       LYS   4  16.734  17.698 -19.551
   32   1HZ   LYS   4          HZ1       LYS   4  18.264  17.280 -17.119
   33   2HZ   LYS   4          HZ2       LYS   4  17.324  18.611 -17.224
   34   3HZ   LYS   4          HZ3       LYS   4  16.657  17.128 -17.370
   35    HA   PRO   5           HA       PRO   5  15.483  11.341 -18.575
   36   1HB   PRO   5          HB1       PRO   5  17.564  10.332 -17.118
   37   2HB   PRO   5          HB2       PRO   5  16.887   9.517 -18.514
   38   1HG   PRO   5          HG1       PRO   5  19.431  11.006 -18.291
   39   2HG   PRO   5          HG2       PRO   5  18.940   9.848 -19.511
   40   1HD   PRO   5          HD1       PRO   5  19.017  12.702 -19.787
   41   2HD   PRO   5          HD2       PRO   5  18.418  11.551 -20.965
   42    H    ASP   6           H        ASP   6  15.169  11.341 -16.180
   43    HA   ASP   6           HA       ASP   6  16.077  13.954 -15.258
   44   1HB   ASP   6          HB1       ASP   6  13.454  12.515 -15.090
   45   2HB   ASP   6          HB2       ASP   6  13.932  13.388 -13.647
   46    H    ASN   7           H        ASN   7  16.929  14.035 -13.087
   47    HA   ASN   7           HA       ASN   7  18.126  11.749 -12.160
   48   1HB   ASN   7          HB1       ASN   7  18.328  14.416 -11.582
   49   2HB   ASN   7          HB2       ASN   7  17.435  13.898 -10.166
   50   1HD2  ASN   7          HD2       ASN   7  18.568  13.263  -8.506
   51   2HD2  ASN   7          HD2       ASN   7  20.179  12.627  -8.511
   52    HA   PRO   8           HA       PRO   8  14.883   9.944  -9.816
   53   1HB   PRO   8          HB1       PRO   8  16.298   8.312  -8.142
   54   2HB   PRO   8          HB2       PRO   8  15.926   7.891  -9.802
   55   1HG   PRO   8          HG1       PRO   8  18.497   8.783  -8.648
   56   2HG   PRO   8          HG2       PRO   8  18.202   7.965 -10.169
   57   1HD   PRO   8          HD1       PRO   8  18.777  10.751  -9.802
   58   2HD   PRO   8          HD2       PRO   8  18.367   9.954 -11.309
   59    H    GLY   9           H        GLY   9  13.557  10.282  -8.079
   60   1HA   GLY   9          HA1       GLY   9  13.633  10.697  -5.644
   61   2HA   GLY   9          HA2       GLY   9  14.828  11.935  -5.978
   62    H    GLU  10           H        GLU  10  11.487  10.938  -7.014
   63    HA   GLU  10           HA       GLU  10  10.804  13.766  -6.874
   64   1HB   GLU  10          HB1       GLU  10   9.452  11.995  -8.907
   65   2HB   GLU  10          HB2       GLU  10   9.672  13.734  -8.927
   66   1HG   GLU  10          HG1       GLU  10  11.391  13.324 -10.370
   67   2HG   GLU  10          HG2       GLU  10  12.300  12.866  -8.943
   68    H    ASP  11           H        ASP  11  10.208  12.936  -4.620
   69    HA   ASP  11           HA       ASP  11   8.111  11.085  -4.417
   70   1HB   ASP  11          HB1       ASP  11   9.500  13.034  -2.583
   71   2HB   ASP  11          HB2       ASP  11   7.959  12.388  -2.055
   72    H    ALA  12           H        ALA  12   5.844  11.560  -3.823
   73    HA   ALA  12           HA       ALA  12   4.727  13.988  -3.357
   74   1HB   ALA  12          HB1       ALA  12   3.788  14.364  -5.802
   75   2HB   ALA  12          HB2       ALA  12   5.371  15.030  -5.333
   76   3HB   ALA  12          HB3       ALA  12   5.284  13.526  -6.280
   77    HA   PRO  13           HA       PRO  13   1.296  11.359  -3.267
   78   1HB   PRO  13          HB1       PRO  13  -0.827  13.070  -3.453
   79   2HB   PRO  13          HB2       PRO  13   0.076  12.822  -1.972
   80   1HG   PRO  13          HG1       PRO  13   0.154  15.122  -3.828
   81   2HG   PRO  13          HG2       PRO  13   0.704  15.033  -2.166
   82   1HD   PRO  13          HD1       PRO  13   2.341  14.985  -4.521
   83   2HD   PRO  13          HD2       PRO  13   2.879  14.779  -2.866
   84    H    ALA  14           H        ALA  14  -0.721  10.501  -4.326
   85    HA   ALA  14           HA       ALA  14  -1.893  10.030  -6.178
   86   1HB   ALA  14          HB1       ALA  14  -0.276  11.549  -8.131
   87   2HB   ALA  14          HB2       ALA  14  -2.034  11.555  -7.851
   88   3HB   ALA  14          HB3       ALA  14  -0.965  12.543  -6.826
   89    H    GLU  15           H        GLU  15   1.657  10.483  -6.785
   90    HA   GLU  15           HA       GLU  15   1.667   8.073  -8.333
   91   1HB   GLU  15          HB1       GLU  15   3.063  10.254  -8.728
   92   2HB   GLU  15          HB2       GLU  15   4.125   9.634  -7.479
   93   1HG   GLU  15          HG1       GLU  15   5.064   8.814  -9.509
   94   2HG   GLU  15          HG2       GLU  15   4.218   7.435  -8.837
   95    H    ASP  16           H        ASP  16   1.663   8.800  -5.051
   96    HA   ASP  16           HA       ASP  16   3.482   6.634  -4.413
   97   1HB   ASP  16          HB1       ASP  16   2.598   9.107  -3.091
   98   2HB   ASP  16          HB2       ASP  16   2.433   7.728  -2.023
   99    H    LEU  17           H        LEU  17   0.102   7.651  -4.548
  100    HA   LEU  17           HA       LEU  17  -0.956   5.838  -2.677
  101   1HB   LEU  17          HB1       LEU  17  -1.893   7.963  -4.044
  102   2HB   LEU  17          HB2       LEU  17  -2.589   6.671  -5.003
  103    HG   LEU  17           HG       LEU  17  -4.098   7.543  -3.237
  104   1HD1  LEU  17          HD1       LEU  17  -3.294   4.633  -2.977
  105   2HD1  LEU  17          HD1       LEU  17  -4.811   5.339  -2.371
  106   3HD1  LEU  17          HD1       LEU  17  -4.473   5.325  -4.118
  107   1HD2  LEU  17          HD2       LEU  17  -1.942   7.647  -1.619
  108   2HD2  LEU  17          HD2       LEU  17  -3.622   7.608  -1.033
  109   3HD2  LEU  17          HD2       LEU  17  -2.661   6.111  -1.079
  110    H    ALA  18           H        ALA  18  -0.419   5.685  -6.250
  111    HA   ALA  18           HA       ALA  18  -1.593   3.188  -6.621
  112   1HB   ALA  18          HB1       ALA  18  -0.796   5.001  -8.307
  113   2HB   ALA  18          HB2       ALA  18   0.790   4.203  -8.187
  114   3HB   ALA  18          HB3       ALA  18  -0.624   3.290  -8.766
  115    H    ARG  19           H        ARG  19   1.819   4.150  -5.877
  116    HA   ARG  19           HA       ARG  19   2.869   1.625  -6.003
  117   1HB   ARG  19          HB1       ARG  19   3.704   3.887  -4.117
  118   2HB   ARG  19          HB2       ARG  19   4.718   2.544  -4.606
  119   1HG   ARG  19          HG1       ARG  19   3.511   4.051  -6.874
  120   2HG   ARG  19          HG2       ARG  19   4.613   4.995  -5.891
  121   1HD   ARG  19          HD1       ARG  19   5.683   2.304  -6.444
  122   2HD   ARG  19          HD2       ARG  19   5.329   3.176  -7.922
  123    HE   ARG  19           HE       ARG  19   6.731   4.847  -5.991
  124   1HH1  ARG  19          HH1       ARG  19   9.801   4.580  -7.628
  125   2HH1  ARG  19          HH1       ARG  19   8.893   5.441  -6.431
  126   1HH2  ARG  19          HH2       ARG  19   8.821   2.823  -8.786
  127   2HH2  ARG  19          HH2       ARG  19   7.181   2.373  -8.452
  128    H    TYR  20           H        TYR  20   0.774   3.128  -3.621
  129    HA   TYR  20           HA       TYR  20   1.459   1.181  -1.572
  130   1HB   TYR  20          HB1       TYR  20   1.024   3.366  -0.695
  131   2HB   TYR  20          HB2       TYR  20  -0.145   3.733  -1.947
  132    HD1  TYR  20           HD1      TYR  20  -2.429   3.672  -1.451
  133    HD2  TYR  20           HD2      TYR  20   0.305   1.548   1.063
  134    HE1  TYR  20           HE1      TYR  20  -4.318   3.141   0.167
  135    HE2  TYR  20           HE2      TYR  20  -1.593   1.024   2.672
  136    HH   TYR  20           HH       TYR  20  -4.886   2.200   2.019
  137    H    TYR  21           H        TYR  21  -0.637   1.477  -4.285
  138    HA   TYR  21           HA       TYR  21  -2.643  -0.271  -3.067
  139   1HB   TYR  21          HB1       TYR  21  -2.432   1.840  -5.129
  140   2HB   TYR  21          HB2       TYR  21  -3.160   0.404  -5.821
  141    HD1  TYR  21           HD1      TYR  21  -5.471   0.257  -5.753
  142    HD2  TYR  21           HD2      TYR  21  -3.459   2.473  -2.696
  143    HE1  TYR  21           HE1      TYR  21  -7.711   0.914  -4.746
  144    HE2  TYR  21           HE2      TYR  21  -5.706   3.123  -1.699
  145    HH   TYR  21           HH       TYR  21  -8.005   2.172  -1.675
  146    H    SER  22           H        SER  22  -0.008  -0.153  -5.445
  147    HA   SER  22           HA       SER  22  -0.818  -2.558  -6.712
  148   1HB   SER  22          HB1       SER  22   0.929  -0.463  -7.314
  149   2HB   SER  22          HB2       SER  22   2.023  -1.793  -6.988
  150    HG   SER  22           HG       SER  22   1.482  -2.684  -8.853
  151    H    ALA  23           H        ALA  23   1.369  -1.568  -4.060
  152    HA   ALA  23           HA       ALA  23   2.574  -4.169  -3.865
  153   1HB   ALA  23          HB1       ALA  23   3.082  -2.718  -1.519
  154   2HB   ALA  23          HB2       ALA  23   4.123  -2.807  -2.960
  155   3HB   ALA  23          HB3       ALA  23   2.951  -1.478  -2.789
  156    H    LEU  24           H        LEU  24  -0.240  -2.448  -2.604
  157    HA   LEU  24           HA       LEU  24  -0.607  -4.004  -0.292
  158   1HB   LEU  24          HB1       LEU  24  -2.014  -2.338   0.004
  159   2HB   LEU  24          HB2       LEU  24  -1.907  -1.870  -1.681
  160    HG   LEU  24           HG       LEU  24  -4.211  -2.240  -1.088
  161   1HD1  LEU  24          HD1       LEU  24  -2.867  -3.619  -3.193
  162   2HD1  LEU  24          HD1       LEU  24  -4.207  -4.639  -2.618
  163   3HD1  LEU  24          HD1       LEU  24  -4.525  -2.972  -3.155
  164   1HD2  LEU  24          HD2       LEU  24  -4.360  -5.053  -0.676
  165   2HD2  LEU  24          HD2       LEU  24  -3.167  -4.391   0.466
  166   3HD2  LEU  24          HD2       LEU  24  -4.822  -3.736   0.428
  167    H    ARG  25           H        ARG  25  -0.808  -4.756  -3.644
  168    HA   ARG  25           HA       ARG  25  -2.853  -6.708  -3.320
  169   1HB   ARG  25          HB1       ARG  25  -1.220  -5.587  -5.542
  170   2HB   ARG  25          HB2       ARG  25  -1.585  -7.290  -5.733
  171   1HG   ARG  25          HG1       ARG  25  -4.049  -6.645  -5.169
  172   2HG   ARG  25          HG2       ARG  25  -3.550  -4.986  -5.431
  173   1HD   ARG  25          HD1       ARG  25  -2.931  -5.436  -7.736
  174   2HD   ARG  25          HD2       ARG  25  -3.056  -7.169  -7.504
  175    HE   ARG  25           HE       ARG  25  -5.231  -5.373  -8.110
  176   1HH1  ARG  25          HH1       ARG  25  -7.760  -7.664  -7.379
  177   2HH1  ARG  25          HH1       ARG  25  -7.373  -6.166  -8.159
  178   1HH2  ARG  25          HH2       ARG  25  -6.102  -8.864  -6.285
  179   2HH2  ARG  25          HH2       ARG  25  -4.478  -8.263  -6.248
  180    H    HIS  26           H        HIS  26   0.647  -6.848  -4.345
  181    HA   HIS  26           HA       HIS  26   0.903  -9.578  -4.099
  182   1HB   HIS  26          HB1       HIS  26   2.492  -7.483  -4.892
  183   2HB   HIS  26          HB2       HIS  26   3.303  -8.000  -3.427
  184    HD1  HIS  26           HD1      HIS  26   4.079  -8.404  -6.638
  185    HD2  HIS  26           HD2      HIS  26   2.910 -11.288  -3.825
  186    HE1  HIS  26           HE1      HIS  26   4.972 -10.637  -7.490
  187    H    TYR  27           H        TYR  27   0.644  -7.091  -1.653
  188    HA   TYR  27           HA       TYR  27   1.889  -8.688   0.400
  189   1HB   TYR  27          HB1       TYR  27   2.079  -6.311   0.675
  190   2HB   TYR  27          HB2       TYR  27   0.484  -6.018   0.011
  191    HD1  TYR  27           HD1      TYR  27  -0.589  -4.727   1.649
  192    HD2  TYR  27           HD2      TYR  27   1.453  -8.302   2.812
  193    HE1  TYR  27           HE1      TYR  27  -1.522  -4.502   4.004
  194    HE2  TYR  27           HE2      TYR  27   0.513  -8.065   5.163
  195    HH   TYR  27           HH       TYR  27  -0.689  -6.887   6.507
  196    H    ILE  28           H        ILE  28  -1.435  -7.702  -0.616
  197    HA   ILE  28           HA       ILE  28  -2.593  -9.191   1.560
  198    HB   ILE  28           HB       ILE  28  -3.692  -7.563  -0.720
  199   1HG1  ILE  28          1HG1      ILE  28  -2.757  -6.253   1.070
  200   2HG1  ILE  28          2HG1      ILE  28  -4.504  -6.126   1.119
  201   1HG2  ILE  28          1HG2      ILE  28  -5.886  -7.967   0.753
  202   2HG2  ILE  28          2HG2      ILE  28  -5.447  -8.997  -0.630
  203   3HG2  ILE  28          3HG2      ILE  28  -5.079  -9.530   1.028
  204   1HD1  ILE  28          1HD1      ILE  28  -2.651  -7.281   3.106
  205   2HD1  ILE  28          2HD1      ILE  28  -4.312  -6.678   3.320
  206   3HD1  ILE  28          3HD1      ILE  28  -4.036  -8.339   2.743
  207    H    ASN  29           H        ASN  29  -1.200  -9.955  -1.426
  208    HA   ASN  29           HA       ASN  29  -2.982 -11.726  -2.511
  209   1HB   ASN  29          HB1       ASN  29  -0.569 -10.870  -3.276
  210   2HB   ASN  29          HB2       ASN  29  -0.003 -12.322  -2.476
  211   1HD2  ASN  29          HD2       ASN  29  -0.579 -11.186  -5.363
  212   2HD2  ASN  29          HD2       ASN  29  -1.204 -12.558  -6.215
  213    H    LEU  30           H        LEU  30  -1.215 -11.821   0.478
  214    HA   LEU  30           HA       LEU  30  -1.238 -14.723   0.628
  215   1HB   LEU  30          HB1       LEU  30   0.667 -14.236   1.646
  216   2HB   LEU  30          HB2       LEU  30   0.239 -12.550   1.853
  217    HG   LEU  30           HG       LEU  30  -1.152 -13.243   3.853
  218   1HD1  LEU  30          HD1       LEU  30   0.397 -15.729   4.187
  219   2HD1  LEU  30          HD1       LEU  30  -1.297 -15.358   4.589
  220   3HD1  LEU  30          HD1       LEU  30  -0.851 -15.782   2.919
  221   1HD2  LEU  30          HD2       LEU  30   1.453 -12.516   3.667
  222   2HD2  LEU  30          HD2       LEU  30   0.584 -12.762   5.201
  223   3HD2  LEU  30          HD2       LEU  30   1.604 -14.062   4.537
  224    H    ALA  31           H        ALA  31  -3.247 -12.006   1.322
  225    HA   ALA  31           HA       ALA  31  -4.606 -13.356   3.505
  226   1HB   ALA  31          HB1       ALA  31  -5.893 -10.950   2.513
  227   2HB   ALA  31          HB2       ALA  31  -5.141 -11.255   4.097
  228   3HB   ALA  31          HB3       ALA  31  -4.149 -10.673   2.739
  229   1HN   AIB  32          1HN       AIB  32  -4.742 -15.012   1.366
  230   1HB1  AIB  32          1HB1      AIB  32  -6.788 -17.187  -0.581
  231   2HB1  AIB  32          2HB1      AIB  32  -5.325 -17.007   0.423
  232   3HB1  AIB  32          3HB1      AIB  32  -5.384 -16.262  -1.185
  233   1HB2  AIB  32          1HB2      AIB  32  -7.368 -14.743  -1.694
  234   2HB2  AIB  32          2HB2      AIB  32  -6.324 -13.483  -1.018
  235   3HB2  AIB  32          3HB2      AIB  32  -7.985 -13.683  -0.397
  236    H    ARG  33           H        ARG  33  -6.605 -16.165   2.798
  237    HA   ARG  33           HA       ARG  33  -8.978 -17.401   2.891
  238   1HB   ARG  33          HB1       ARG  33  -7.915 -17.760   4.895
  239   2HB   ARG  33          HB2       ARG  33  -7.122 -16.198   4.857
  240   1HG   ARG  33          HG1       ARG  33  -8.689 -16.345   6.772
  241   2HG   ARG  33          HG2       ARG  33  -9.183 -15.087   5.657
  242   1HD   ARG  33          HD1       ARG  33 -10.492 -17.363   4.660
  243   2HD   ARG  33          HD2       ARG  33 -10.578 -17.586   6.396
  244    HE   ARG  33           HE       ARG  33 -11.907 -15.490   4.835
  245   1HH1  ARG  33          HH1       ARG  33 -13.337 -14.041   7.669
  246   2HH1  ARG  33          HH1       ARG  33 -13.345 -14.098   5.938
  247   1HH2  ARG  33          HH2       ARG  33 -11.867 -15.378   8.868
  248   2HH2  ARG  33          HH2       ARG  33 -10.778 -16.433   8.031
  249    H    GLN  34           H        GLN  34  -8.290 -13.905   3.539
  250    HA   GLN  34           HA       GLN  34 -11.006 -13.363   4.140
  251   1HB   GLN  34          HB1       GLN  34  -8.999 -12.093   5.046
  252   2HB   GLN  34          HB2       GLN  34  -8.782 -11.394   3.454
  253   1HG   GLN  34          HG1       GLN  34 -10.086  -9.760   4.542
  254   2HG   GLN  34          HG2       GLN  34 -11.294 -10.667   3.652
  255   1HE2  GLN  34          1HE2      GLN  34 -12.519 -12.290   4.739
  256   2HE2  GLN  34          2HE2      GLN  34 -12.832 -12.190   6.439
  257    H    ARG  35           H        ARG  35 -12.469 -11.998   2.865
  258    HA   ARG  35           HA       ARG  35 -13.348 -11.172   1.052
  259   1HB   ARG  35          HB1       ARG  35 -10.598 -10.966   0.399
  260   2HB   ARG  35          HB2       ARG  35 -11.312 -11.762  -0.990
  261   1HG   ARG  35          HG1       ARG  35 -11.514  -9.429  -1.459
  262   2HG   ARG  35          HG2       ARG  35 -13.120  -9.923  -0.961
  263   1HD   ARG  35          HD1       ARG  35 -12.509  -9.168   1.417
  264   2HD   ARG  35          HD2       ARG  35 -11.038  -8.487   0.750
  265    HE   ARG  35           HE       ARG  35 -12.292  -6.761  -0.247
  266   1HH1  ARG  35          HH1       ARG  35 -15.736  -6.199  -0.186
  267   2HH1  ARG  35          HH1       ARG  35 -14.187  -5.527  -0.574
  268   1HH2  ARG  35          HH2       ARG  35 -15.885  -8.352   0.667
  269   2HH2  ARG  35          HH2       ARG  35 -14.449  -9.287   0.915
  270    H    TYR  36           H        TYR  36 -13.315 -14.049   1.896
  271    HA   TYR  36           HA       TYR  36 -14.031 -16.032   1.210
  272   1HB   TYR  36          HB1       TYR  36 -16.040 -15.227   0.300
  273   2HB   TYR  36          HB2       TYR  36 -15.223 -13.927  -0.544
  274    HD1  TYR  36           HD1      TYR  36 -15.499 -13.941  -2.838
  275    HD2  TYR  36           HD2      TYR  36 -15.310 -17.682  -0.772
  276    HE1  TYR  36           HE1      TYR  36 -15.811 -15.179  -5.037
  277    HE2  TYR  36           HE2      TYR  36 -15.622 -18.908  -2.978
  278    HH   TYR  36           HH       TYR  36 -16.200 -17.110  -5.972
  279   1HN   NH2  37          HN1       NH2 237 -12.411 -17.353   0.748
  280   2HN   NH2  37          HN2       NH2 237 -11.590 -17.478  -0.772
  Start of MODEL   17
    1    H    TYR   1           H        TYR   1  13.409  -3.080  -9.527
    2    HA   TYR   1           HA       TYR   1  14.213  -2.464  -6.834
    3   1HB   TYR   1          HB1       TYR   1  15.946  -4.037  -7.025
    4   2HB   TYR   1          HB2       TYR   1  15.708  -4.197  -8.753
    5    HD1  TYR   1           HD1      TYR   1  17.271  -3.286 -10.245
    6    HD2  TYR   1           HD2      TYR   1  17.180  -1.888  -6.203
    7    HE1  TYR   1           HE1      TYR   1  19.389  -1.941 -10.655
    8    HE2  TYR   1           HE2      TYR   1  19.298  -0.548  -6.626
    9    HH   TYR   1           HH       TYR   1  20.988  -0.779  -9.727
   10    HA   PRO   2           HA       PRO   2  14.340   1.171  -9.353
   11   1HB   PRO   2          HB1       PRO   2  13.774   2.948  -7.355
   12   2HB   PRO   2          HB2       PRO   2  12.538   2.161  -8.316
   13   1HG   PRO   2          HG1       PRO   2  13.354   1.604  -5.530
   14   2HG   PRO   2          HG2       PRO   2  11.878   1.144  -6.354
   15   1HD   PRO   2          HD1       PRO   2  14.119  -0.550  -5.775
   16   2HD   PRO   2          HD2       PRO   2  12.693  -0.978  -6.700
   17    H    SER   3           H        SER   3  15.423   3.487  -8.943
   18    HA   SER   3           HA       SER   3  18.063   2.716  -7.982
   19   1HB   SER   3          HB1       SER   3  17.095   4.449 -10.228
   20   2HB   SER   3          HB2       SER   3  18.547   4.984  -9.406
   21    HG   SER   3           HG       SER   3  18.144   2.766 -11.090
   22    H    LYS   4           H        LYS   4  18.640   3.592  -6.030
   23    HA   LYS   4           HA       LYS   4  18.831   5.013  -4.350
   24   1HB   LYS   4          HB1       LYS   4  19.561   6.888  -5.342
   25   2HB   LYS   4          HB2       LYS   4  18.388   6.786  -6.639
   26   1HG   LYS   4          HG1       LYS   4  16.720   7.934  -5.408
   27   2HG   LYS   4          HG2       LYS   4  17.453   7.554  -3.862
   28   1HD   LYS   4          HD1       LYS   4  18.152   9.753  -4.035
   29   2HD   LYS   4          HD2       LYS   4  19.493   8.992  -4.868
   30   1HE   LYS   4          HE1       LYS   4  18.864   9.816  -6.927
   31   2HE   LYS   4          HE2       LYS   4  17.155   9.587  -6.615
   32   1HZ   LYS   4          HZ1       LYS   4  17.670  11.896  -6.695
   33   2HZ   LYS   4          HZ2       LYS   4  17.253  11.525  -5.160
   34   3HZ   LYS   4          HZ3       LYS   4  18.823  11.757  -5.546
   35    HA   PRO   5           HA       PRO   5  14.602   4.369  -3.154
   36   1HB   PRO   5          HB1       PRO   5  15.142   3.216  -0.736
   37   2HB   PRO   5          HB2       PRO   5  14.954   2.296  -2.215
   38   1HG   PRO   5          HG1       PRO   5  17.433   2.961  -0.749
   39   2HG   PRO   5          HG2       PRO   5  17.172   1.719  -1.958
   40   1HD   PRO   5          HD1       PRO   5  18.493   4.236  -2.342
   41   2HD   PRO   5          HD2       PRO   5  18.129   3.045  -3.574
   42    H    ASP   6           H        ASP   6  13.572   6.225  -2.771
   43    HA   ASP   6           HA       ASP   6  14.577   7.615  -0.412
   44   1HB   ASP   6          HB1       ASP   6  13.907   9.728  -1.457
   45   2HB   ASP   6          HB2       ASP   6  14.990   8.867  -2.533
   46    H    ASN   7           H        ASN   7  12.882   8.603   0.951
   47    HA   ASN   7           HA       ASN   7  10.754   7.160   1.502
   48   1HB   ASN   7          HB1       ASN   7  11.513   9.987   1.890
   49   2HB   ASN   7          HB2       ASN   7   9.772   9.795   1.854
   50   1HD2  ASN   7          HD2       ASN   7   8.742   9.047   3.572
   51   2HD2  ASN   7          HD2       ASN   7   9.468   8.386   4.999
   52    HA   PRO   8           HA       PRO   8   8.449   7.876  -2.276
   53   1HB   PRO   8          HB1       PRO   8   6.977   5.575  -2.198
   54   2HB   PRO   8          HB2       PRO   8   8.547   5.683  -2.969
   55   1HG   PRO   8          HG1       PRO   8   7.833   4.439  -0.384
   56   2HG   PRO   8          HG2       PRO   8   9.268   4.196  -1.360
   57   1HD   PRO   8          HD1       PRO   8   9.065   5.762   1.035
   58   2HD   PRO   8          HD2       PRO   8  10.469   5.612  -0.004
   59    H    GLY   9           H        GLY   9   7.799   9.585  -0.450
   60   1HA   GLY   9          HA1       GLY   9   4.887   9.403  -0.463
   61   2HA   GLY   9          HA2       GLY   9   5.663   9.462   1.108
   62    H    GLU  10           H        GLU  10   7.870  11.178   0.592
   63    HA   GLU  10           HA       GLU  10   6.412  13.651   0.347
   64   1HB   GLU  10          HB1       GLU  10   9.357  13.517   0.988
   65   2HB   GLU  10          HB2       GLU  10   8.150  14.645   1.573
   66   1HG   GLU  10          HG1       GLU  10   7.094  12.380   2.616
   67   2HG   GLU  10          HG2       GLU  10   8.764  11.856   2.522
   68    H    ASP  11           H        ASP  11   6.308  12.729  -2.113
   69    HA   ASP  11           HA       ASP  11   8.436  14.179  -3.463
   70   1HB   ASP  11          HB1       ASP  11   8.112  12.403  -5.345
   71   2HB   ASP  11          HB2       ASP  11   9.071  11.957  -3.947
   72    H    ALA  12           H        ALA  12   5.265  12.422  -3.897
   73    HA   ALA  12           HA       ALA  12   3.776  14.644  -4.562
   74   1HB   ALA  12          HB1       ALA  12   5.386  13.529  -6.797
   75   2HB   ALA  12          HB2       ALA  12   3.662  13.792  -7.152
   76   3HB   ALA  12          HB3       ALA  12   4.673  15.147  -6.595
   77    HA   PRO  13           HA       PRO  13   0.828  11.497  -4.243
   78   1HB   PRO  13          HB1       PRO  13  -1.405  12.702  -5.259
   79   2HB   PRO  13          HB2       PRO  13  -0.818  12.987  -3.633
   80   1HG   PRO  13          HG1       PRO  13  -0.634  14.743  -6.004
   81   2HG   PRO  13          HG2       PRO  13  -0.449  15.160  -4.312
   82   1HD   PRO  13          HD1       PRO  13   1.651  14.836  -6.239
   83   2HD   PRO  13          HD2       PRO  13   1.840  15.138  -4.524
   84    H    ALA  14           H        ALA  14  -0.876  10.132  -5.398
   85    HA   ALA  14           HA       ALA  14  -1.548   9.044  -7.239
   86   1HB   ALA  14          HB1       ALA  14  -1.395  10.036  -9.277
   87   2HB   ALA  14          HB2       ALA  14  -0.708  11.403  -8.367
   88   3HB   ALA  14          HB3       ALA  14   0.371  10.229  -9.158
   89    H    GLU  15           H        GLU  15   2.003   9.799  -7.224
   90    HA   GLU  15           HA       GLU  15   2.540   7.084  -7.975
   91   1HB   GLU  15          HB1       GLU  15   3.813   9.257  -8.718
   92   2HB   GLU  15          HB2       GLU  15   4.631   9.128  -7.174
   93   1HG   GLU  15          HG1       GLU  15   5.655   7.066  -7.730
   94   2HG   GLU  15          HG2       GLU  15   4.464   6.687  -8.958
   95    H    ASP  16           H        ASP  16   1.734   8.645  -5.121
   96    HA   ASP  16           HA       ASP  16   3.529   6.990  -3.545
   97   1HB   ASP  16          HB1       ASP  16   1.703   9.311  -2.760
   98   2HB   ASP  16          HB2       ASP  16   2.685   8.410  -1.622
   99    H    LEU  17           H        LEU  17   0.209   7.519  -4.609
  100    HA   LEU  17           HA       LEU  17  -0.876   5.812  -2.521
  101   1HB   LEU  17          HB1       LEU  17  -1.830   8.043  -3.752
  102   2HB   LEU  17          HB2       LEU  17  -2.611   6.789  -4.694
  103    HG   LEU  17           HG       LEU  17  -3.955   7.666  -2.777
  104   1HD1  LEU  17          HD1       LEU  17  -3.299   4.760  -3.114
  105   2HD1  LEU  17          HD1       LEU  17  -4.437   5.268  -1.843
  106   3HD1  LEU  17          HD1       LEU  17  -4.774   5.658  -3.547
  107   1HD2  LEU  17          HD2       LEU  17  -3.146   7.815  -0.717
  108   2HD2  LEU  17          HD2       LEU  17  -2.736   6.084  -0.700
  109   3HD2  LEU  17          HD2       LEU  17  -1.570   7.268  -1.337
  110    H    ALA  18           H        ALA  18  -0.168   5.882  -6.035
  111    HA   ALA  18           HA       ALA  18  -1.486   3.487  -6.657
  112   1HB   ALA  18          HB1       ALA  18   0.946   4.758  -7.976
  113   2HB   ALA  18          HB2       ALA  18  -0.189   3.606  -8.721
  114   3HB   ALA  18          HB3       ALA  18  -0.741   5.239  -8.276
  115    H    ARG  19           H        ARG  19   1.945   4.234  -5.756
  116    HA   ARG  19           HA       ARG  19   2.873   1.672  -6.020
  117   1HB   ARG  19          HB1       ARG  19   4.768   2.406  -4.663
  118   2HB   ARG  19          HB2       ARG  19   4.262   3.757  -5.658
  119   1HG   ARG  19          HG1       ARG  19   4.006   5.004  -3.784
  120   2HG   ARG  19          HG2       ARG  19   2.699   3.948  -3.288
  121   1HD   ARG  19          HD1       ARG  19   5.525   3.004  -2.801
  122   2HD   ARG  19          HD2       ARG  19   4.903   4.279  -1.773
  123    HE   ARG  19           HE       ARG  19   2.863   2.387  -1.779
  124   1HH1  ARG  19          HH1       ARG  19   4.053   0.123   0.595
  125   2HH1  ARG  19          HH1       ARG  19   2.655   0.708  -0.243
  126   1HH2  ARG  19          HH2       ARG  19   6.137   1.046   0.160
  127   2HH2  ARG  19          HH2       ARG  19   6.295   2.319  -1.004
  128    H    TYR  20           H        TYR  20   0.757   3.100  -3.626
  129    HA   TYR  20           HA       TYR  20   1.300   0.998  -1.684
  130   1HB   TYR  20          HB1       TYR  20   0.967   3.140  -0.667
  131   2HB   TYR  20          HB2       TYR  20  -0.148   3.658  -1.916
  132    HD1  TYR  20           HD1      TYR  20  -2.465   3.612  -1.532
  133    HD2  TYR  20           HD2      TYR  20   0.123   1.335   1.001
  134    HE1  TYR  20           HE1      TYR  20  -4.421   3.084   0.004
  135    HE2  TYR  20           HE2      TYR  20  -1.841   0.815   2.529
  136    HH   TYR  20           HH       TYR  20  -4.627   0.751   1.919
  137    H    TYR  21           H        TYR  21  -0.691   1.578  -4.422
  138    HA   TYR  21           HA       TYR  21  -2.838  -0.107  -3.368
  139   1HB   TYR  21          HB1       TYR  21  -2.426   2.092  -5.304
  140   2HB   TYR  21          HB2       TYR  21  -3.215   0.742  -6.096
  141    HD1  TYR  21           HD1      TYR  21  -5.502   1.034  -6.271
  142    HD2  TYR  21           HD2      TYR  21  -3.529   2.362  -2.715
  143    HE1  TYR  21           HE1      TYR  21  -7.732   1.776  -5.301
  144    HE2  TYR  21           HE2      TYR  21  -5.765   3.100  -1.757
  145    HH   TYR  21           HH       TYR  21  -8.654   2.084  -2.941
  146    H    SER  22           H        SER  22  -0.115  -0.032  -5.644
  147    HA   SER  22           HA       SER  22  -1.033  -2.347  -7.026
  148   1HB   SER  22          HB1       SER  22   0.341  -0.574  -8.125
  149   2HB   SER  22          HB2       SER  22   1.681  -0.953  -7.062
  150    HG   SER  22           HG       SER  22   1.633  -1.980  -9.291
  151    H    ALA  23           H        ALA  23   1.131  -1.527  -4.313
  152    HA   ALA  23           HA       ALA  23   2.272  -4.170  -4.222
  153   1HB   ALA  23          HB1       ALA  23   2.997  -1.610  -3.349
  154   2HB   ALA  23          HB2       ALA  23   2.619  -2.494  -1.851
  155   3HB   ALA  23          HB3       ALA  23   3.839  -3.134  -2.979
  156    H    LEU  24           H        LEU  24  -0.535  -2.457  -3.006
  157    HA   LEU  24           HA       LEU  24  -0.959  -3.943  -0.672
  158   1HB   LEU  24          HB1       LEU  24  -2.537  -2.429  -0.466
  159   2HB   LEU  24          HB2       LEU  24  -2.190  -1.850  -2.083
  160    HG   LEU  24           HG       LEU  24  -4.532  -2.262  -1.936
  161   1HD1  LEU  24          HD1       LEU  24  -4.498  -3.002  -4.023
  162   2HD1  LEU  24          HD1       LEU  24  -2.856  -3.645  -3.782
  163   3HD1  LEU  24          HD1       LEU  24  -4.272  -4.667  -3.436
  164   1HD2  LEU  24          HD2       LEU  24  -5.429  -3.779  -0.592
  165   2HD2  LEU  24          HD2       LEU  24  -4.692  -5.097  -1.534
  166   3HD2  LEU  24          HD2       LEU  24  -3.796  -4.358  -0.185
  167    H    ARG  25           H        ARG  25  -0.960  -4.870  -3.974
  168    HA   ARG  25           HA       ARG  25  -2.972  -6.860  -3.662
  169   1HB   ARG  25          HB1       ARG  25  -2.216  -5.587  -5.846
  170   2HB   ARG  25          HB2       ARG  25  -0.923  -6.767  -5.910
  171   1HG   ARG  25          HG1       ARG  25  -2.469  -7.979  -7.109
  172   2HG   ARG  25          HG2       ARG  25  -3.003  -8.469  -5.514
  173   1HD   ARG  25          HD1       ARG  25  -5.012  -7.445  -5.801
  174   2HD   ARG  25          HD2       ARG  25  -4.238  -5.921  -6.185
  175    HE   ARG  25           HE       ARG  25  -5.296  -7.861  -8.091
  176   1HH1  ARG  25          HH1       ARG  25  -4.145  -6.092 -10.870
  177   2HH1  ARG  25          HH1       ARG  25  -5.189  -7.359 -10.318
  178   1HH2  ARG  25          HH2       ARG  25  -2.856  -4.905  -9.348
  179   2HH2  ARG  25          HH2       ARG  25  -2.937  -5.286  -7.660
  180    H    HIS  26           H        HIS  26   0.603  -6.893  -4.392
  181    HA   HIS  26           HA       HIS  26   0.900  -9.627  -3.998
  182   1HB   HIS  26          HB1       HIS  26   2.459  -7.601  -4.931
  183   2HB   HIS  26          HB2       HIS  26   3.212  -7.881  -3.373
  184    HD1  HIS  26           HD1      HIS  26   4.220 -10.320  -2.947
  185    HD2  HIS  26           HD2      HIS  26   2.952  -9.544  -6.870
  186    HE1  HIS  26           HE1      HIS  26   5.251 -12.142  -4.406
  187    H    TYR  27           H        TYR  27   0.467  -6.983  -1.755
  188    HA   TYR  27           HA       TYR  27   1.694  -8.359   0.457
  189   1HB   TYR  27          HB1       TYR  27   1.742  -5.977   0.617
  190   2HB   TYR  27          HB2       TYR  27   0.209  -5.801  -0.212
  191    HD1  TYR  27           HD1      TYR  27   1.318  -7.510   2.951
  192    HD2  TYR  27           HD2      TYR  27  -1.395  -4.771   1.096
  193    HE1  TYR  27           HE1      TYR  27   0.148  -7.149   5.179
  194    HE2  TYR  27           HE2      TYR  27  -2.556  -4.419   3.330
  195    HH   TYR  27           HH       TYR  27  -2.653  -6.197   5.608
  196    H    ILE  28           H        ILE  28  -1.627  -7.679  -0.782
  197    HA   ILE  28           HA       ILE  28  -2.833  -8.981   1.469
  198    HB   ILE  28           HB       ILE  28  -3.858  -7.804  -1.104
  199   1HG1  ILE  28          1HG1      ILE  28  -3.122  -6.240   0.648
  200   2HG1  ILE  28          2HG1      ILE  28  -4.843  -6.131   0.337
  201   1HG2  ILE  28          1HG2      ILE  28  -6.112  -8.207   0.356
  202   2HG2  ILE  28          2HG2      ILE  28  -5.554  -9.271  -0.958
  203   3HG2  ILE  28          3HG2      ILE  28  -5.195  -9.685   0.736
  204   1HD1  ILE  28          1HD1      ILE  28  -4.950  -7.964   2.310
  205   2HD1  ILE  28          2HD1      ILE  28  -3.408  -7.193   2.754
  206   3HD1  ILE  28          3HD1      ILE  28  -4.894  -6.218   2.653
  207    H    ASN  29           H        ASN  29  -1.340  -9.948  -1.496
  208    HA   ASN  29           HA       ASN  29  -2.859 -12.065  -2.263
  209   1HB   ASN  29          HB1       ASN  29  -0.479 -11.023  -3.075
  210   2HB   ASN  29          HB2       ASN  29   0.138 -12.420  -2.216
  211   1HD2  ASN  29          HD2       ASN  29   0.889 -13.220  -4.211
  212   2HD2  ASN  29          HD2       ASN  29  -0.158 -14.023  -5.332
  213    H    LEU  30           H        LEU  30  -0.976 -11.561   0.645
  214    HA   LEU  30           HA       LEU  30  -0.734 -14.399   1.199
  215   1HB   LEU  30          HB1       LEU  30   0.158 -11.940   2.710
  216   2HB   LEU  30          HB2       LEU  30   0.418 -13.587   3.250
  217    HG   LEU  30           HG       LEU  30   1.754 -12.058   1.068
  218   1HD1  LEU  30          HD1       LEU  30   2.487 -13.085   3.552
  219   2HD1  LEU  30          HD1       LEU  30   3.255 -14.175   2.373
  220   3HD1  LEU  30          HD1       LEU  30   3.568 -12.424   2.301
  221   1HD2  LEU  30          HD2       LEU  30   2.489 -14.054  -0.097
  222   2HD2  LEU  30          HD2       LEU  30   1.504 -15.077   0.976
  223   3HD2  LEU  30          HD2       LEU  30   0.713 -13.937  -0.140
  224    H    ALA  31           H        ALA  31  -3.348 -12.680   0.986
  225    HA   ALA  31           HA       ALA  31  -4.345 -13.071   3.697
  226   1HB   ALA  31          HB1       ALA  31  -6.132 -11.649   3.052
  227   2HB   ALA  31          HB2       ALA  31  -4.692 -10.948   2.275
  228   3HB   ALA  31          HB3       ALA  31  -5.834 -11.921   1.318
  229   1HN   AIB  32          1HN       AIB  32  -3.647 -15.229   1.558
  230   1HB1  AIB  32          1HB1      AIB  32  -4.632 -18.316   0.089
  231   2HB1  AIB  32          2HB1      AIB  32  -3.660 -18.149   1.576
  232   3HB1  AIB  32          3HB1      AIB  32  -3.386 -17.043   0.218
  233   1HB2  AIB  32          1HB2      AIB  32  -6.597 -17.269  -0.299
  234   2HB2  AIB  32          2HB2      AIB  32  -6.112 -15.568  -0.397
  235   3HB2  AIB  32          3HB2      AIB  32  -7.300 -16.081   0.832
  236    H    ARG  33           H        ARG  33  -4.681 -16.156   3.876
  237    HA   ARG  33           HA       ARG  33  -6.664 -18.131   4.683
  238   1HB   ARG  33          HB1       ARG  33  -3.848 -17.795   5.414
  239   2HB   ARG  33          HB2       ARG  33  -4.855 -17.698   6.845
  240   1HG   ARG  33          HG1       ARG  33  -5.495 -19.907   6.718
  241   2HG   ARG  33          HG2       ARG  33  -5.607 -19.886   4.969
  242   1HD   ARG  33          HD1       ARG  33  -2.844 -19.544   5.510
  243   2HD   ARG  33          HD2       ARG  33  -3.375 -20.747   6.668
  244    HE   ARG  33           HE       ARG  33  -4.323 -21.196   3.914
  245   1HH1  ARG  33          HH1       ARG  33  -2.303 -24.017   3.541
  246   2HH1  ARG  33          HH1       ARG  33  -3.606 -23.096   2.867
  247   1HH2  ARG  33          HH2       ARG  33  -1.286 -23.321   5.508
  248   2HH2  ARG  33          HH2       ARG  33  -1.830 -21.880   6.301
  249    H    GLN  34           H        GLN  34  -5.085 -14.964   5.320
  250    HA   GLN  34           HA       GLN  34  -6.460 -14.317   7.615
  251   1HB   GLN  34          HB1       GLN  34  -4.584 -13.092   5.917
  252   2HB   GLN  34          HB2       GLN  34  -5.961 -12.010   5.862
  253   1HG   GLN  34          HG1       GLN  34  -4.703 -13.049   8.445
  254   2HG   GLN  34          HG2       GLN  34  -4.329 -11.494   7.727
  255   1HE2  GLN  34          1HE2      GLN  34  -5.192 -11.373  10.181
  256   2HE2  GLN  34          2HE2      GLN  34  -6.832 -10.835  10.317
  257    H    ARG  35           H        ARG  35  -7.283 -13.805   4.135
  258    HA   ARG  35           HA       ARG  35  -9.793 -12.656   4.955
  259   1HB   ARG  35          HB1       ARG  35  -8.133 -12.682   2.488
  260   2HB   ARG  35          HB2       ARG  35  -9.850 -12.832   2.169
  261   1HG   ARG  35          HG1       ARG  35  -9.673 -10.514   2.233
  262   2HG   ARG  35          HG2       ARG  35 -10.043 -10.822   3.918
  263   1HD   ARG  35          HD1       ARG  35  -7.398 -11.026   4.170
  264   2HD   ARG  35          HD2       ARG  35  -7.372 -10.130   2.664
  265    HE   ARG  35           HE       ARG  35  -8.159  -9.106   5.288
  266   1HH1  ARG  35          HH1       ARG  35  -9.019  -5.967   4.030
  267   2HH1  ARG  35          HH1       ARG  35  -8.694  -6.891   5.459
  268   1HH2  ARG  35          HH2       ARG  35  -8.911  -6.978   1.944
  269   2HH2  ARG  35          HH2       ARG  35  -8.506  -8.657   1.816
  270    H    TYR  36           H        TYR  36  -9.201 -15.510   5.510
  271    HA   TYR  36           HA       TYR  36 -11.360 -16.684   3.903
  272   1HB   TYR  36          HB1       TYR  36  -9.572 -17.937   3.040
  273   2HB   TYR  36          HB2       TYR  36  -8.491 -17.407   4.313
  274    HD1  TYR  36           HD1      TYR  36 -11.208 -19.835   3.538
  275    HD2  TYR  36           HD2      TYR  36  -7.965 -18.825   6.139
  276    HE1  TYR  36           HE1      TYR  36 -11.364 -22.124   4.633
  277    HE2  TYR  36           HE2      TYR  36  -8.132 -21.117   7.226
  278    HH   TYR  36           HH       TYR  36  -9.245 -22.968   7.354
  279   1HN   NH2  37          HN1       NH2 237  -9.282 -17.033   6.785
  280   2HN   NH2  37          HN2       NH2 237 -10.514 -17.623   7.851
  Start of MODEL   18
    1    H    TYR   1           H        TYR   1  -4.796  24.443 -19.112
    2    HA   TYR   1           HA       TYR   1  -3.032  22.268 -19.501
    3   1HB   TYR   1          HB1       TYR   1  -2.180  24.969 -20.673
    4   2HB   TYR   1          HB2       TYR   1  -1.410  23.416 -20.928
    5    HD1  TYR   1           HD1      TYR   1  -3.189  21.592 -21.991
    6    HD2  TYR   1           HD2      TYR   1  -3.287  25.838 -22.507
    7    HE1  TYR   1           HE1      TYR   1  -4.496  21.307 -24.153
    8    HE2  TYR   1           HE2      TYR   1  -4.594  25.538 -24.667
    9    HH   TYR   1           HH       TYR   1  -4.663  23.086 -26.403
   10    HA   PRO   2           HA       PRO   2  -2.227  24.651 -15.815
   11   1HB   PRO   2          HB1       PRO   2  -1.875  22.522 -14.138
   12   2HB   PRO   2          HB2       PRO   2  -3.426  23.299 -14.388
   13   1HG   PRO   2          HG1       PRO   2  -2.463  20.705 -15.429
   14   2HG   PRO   2          HG2       PRO   2  -4.108  21.296 -15.306
   15   1HD   PRO   2          HD1       PRO   2  -2.510  21.153 -17.683
   16   2HD   PRO   2          HD2       PRO   2  -4.111  21.849 -17.537
   17    H    SER   3           H        SER   3  -0.482  21.629 -16.400
   18    HA   SER   3           HA       SER   3   1.921  23.234 -16.473
   19   1HB   SER   3          HB1       SER   3   3.072  21.472 -15.008
   20   2HB   SER   3          HB2       SER   3   1.986  22.573 -14.184
   21    HG   SER   3           HG       SER   3   0.911  20.118 -15.181
   22    H    LYS   4           H        LYS   4   3.869  21.667 -17.133
   23    HA   LYS   4           HA       LYS   4   2.842  20.090 -19.354
   24   1HB   LYS   4          HB1       LYS   4   5.753  20.657 -18.896
   25   2HB   LYS   4          HB2       LYS   4   4.881  20.443 -20.401
   26   1HG   LYS   4          HG1       LYS   4   4.838  22.714 -20.538
   27   2HG   LYS   4          HG2       LYS   4   3.600  22.659 -19.299
   28   1HD   LYS   4          HD1       LYS   4   5.619  22.588 -17.606
   29   2HD   LYS   4          HD2       LYS   4   6.577  23.151 -18.961
   30   1HE   LYS   4          HE1       LYS   4   4.272  24.800 -18.989
   31   2HE   LYS   4          HE2       LYS   4   4.677  24.640 -17.291
   32   1HZ   LYS   4          HZ1       LYS   4   5.819  26.433 -18.644
   33   2HZ   LYS   4          HZ2       LYS   4   6.751  25.539 -17.645
   34   3HZ   LYS   4          HZ3       LYS   4   6.757  25.242 -19.250
   35    HA   PRO   5           HA       PRO   5   3.848  16.332 -17.489
   36   1HB   PRO   5          HB1       PRO   5   4.400  14.739 -19.639
   37   2HB   PRO   5          HB2       PRO   5   2.770  15.131 -19.131
   38   1HG   PRO   5          HG1       PRO   5   4.297  16.184 -21.433
   39   2HG   PRO   5          HG2       PRO   5   2.568  16.226 -21.151
   40   1HD   PRO   5          HD1       PRO   5   4.412  18.401 -20.838
   41   2HD   PRO   5          HD2       PRO   5   2.704  18.410 -20.445
   42    H    ASP   6           H        ASP   6   5.470  15.693 -16.225
   43    HA   ASP   6           HA       ASP   6   7.503  15.286 -15.591
   44   1HB   ASP   6          HB1       ASP   6   7.521  13.840 -17.699
   45   2HB   ASP   6          HB2       ASP   6   8.287  15.173 -18.540
   46    H    ASN   7           H        ASN   7   8.745  16.941 -14.700
   47    HA   ASN   7           HA       ASN   7  10.516  18.463 -15.966
   48   1HB   ASN   7          HB1       ASN   7   7.859  19.426 -16.623
   49   2HB   ASN   7          HB2       ASN   7   8.634  20.633 -15.615
   50   1HD2  ASN   7          HD2       ASN   7   7.932  20.653 -18.458
   51   2HD2  ASN   7          HD2       ASN   7   9.382  20.994 -19.342
   52    HA   PRO   8           HA       PRO   8   9.089  20.365 -11.818
   53   1HB   PRO   8          HB1       PRO   8   6.719  19.577 -10.708
   54   2HB   PRO   8          HB2       PRO   8   6.885  21.020 -11.688
   55   1HG   PRO   8          HG1       PRO   8   5.677  18.419 -12.407
   56   2HG   PRO   8          HG2       PRO   8   5.480  19.975 -13.189
   57   1HD   PRO   8          HD1       PRO   8   7.097  17.788 -14.100
   58   2HD   PRO   8          HD2       PRO   8   6.990  19.383 -14.818
   59    H    GLY   9           H        GLY   9   8.624  19.593  -9.377
   60   1HA   GLY   9          HA1       GLY   9   8.861  16.847  -8.876
   61   2HA   GLY   9          HA2       GLY   9  10.476  17.516  -8.986
   62    H    GLU  10           H        GLU  10   7.273  18.564  -7.596
   63    HA   GLU  10           HA       GLU  10   8.689  18.969  -5.089
   64   1HB   GLU  10          HB1       GLU  10   6.542  20.929  -5.893
   65   2HB   GLU  10          HB2       GLU  10   7.876  21.147  -4.778
   66   1HG   GLU  10          HG1       GLU  10   8.122  20.918  -7.816
   67   2HG   GLU  10          HG2       GLU  10   8.245  22.404  -6.894
   68    H    ASP  11           H        ASP  11   7.729  16.879  -4.510
   69    HA   ASP  11           HA       ASP  11   6.238  15.610  -3.581
   70   1HB   ASP  11          HB1       ASP  11   5.002  18.324  -3.008
   71   2HB   ASP  11          HB2       ASP  11   4.176  16.862  -2.508
   72    H    ALA  12           H        ALA  12   5.201  14.318  -5.126
   73    HA   ALA  12           HA       ALA  12   2.886  15.517  -6.481
   74   1HB   ALA  12          HB1       ALA  12   4.980  15.217  -7.927
   75   2HB   ALA  12          HB2       ALA  12   4.750  13.464  -7.718
   76   3HB   ALA  12          HB3       ALA  12   3.494  14.437  -8.520
   77    HA   PRO  13           HA       PRO  13   1.545  11.898  -4.194
   78   1HB   PRO  13          HB1       PRO  13  -0.779  12.964  -3.229
   79   2HB   PRO  13          HB2       PRO  13   0.735  13.008  -2.346
   80   1HG   PRO  13          HG1       PRO  13  -0.632  15.195  -3.791
   81   2HG   PRO  13          HG2       PRO  13   0.623  15.301  -2.573
   82   1HD   PRO  13          HD1       PRO  13   0.945  15.638  -5.403
   83   2HD   PRO  13          HD2       PRO  13   2.217  15.628  -4.197
   84    H    ALA  14           H        ALA  14  -0.764  10.765  -4.161
   85    HA   ALA  14           HA       ALA  14  -2.518  10.046  -5.359
   86   1HB   ALA  14          HB1       ALA  14  -3.443  11.319  -7.030
   87   2HB   ALA  14          HB2       ALA  14  -2.334  12.542  -6.365
   88   3HB   ALA  14          HB3       ALA  14  -1.876  11.620  -7.817
   89    H    GLU  15           H        GLU  15   0.434  10.724  -7.359
   90    HA   GLU  15           HA       GLU  15   0.085   8.219  -8.693
   91   1HB   GLU  15          HB1       GLU  15   1.329  10.663  -9.311
   92   2HB   GLU  15          HB2       GLU  15   2.672   9.557  -9.099
   93   1HG   GLU  15          HG1       GLU  15   0.326   8.571 -10.708
   94   2HG   GLU  15          HG2       GLU  15   1.343   9.792 -11.446
   95    H    ASP  16           H        ASP  16   1.303   9.190  -5.698
   96    HA   ASP  16           HA       ASP  16   3.439   7.244  -5.727
   97   1HB   ASP  16          HB1       ASP  16   3.204   9.714  -4.526
   98   2HB   ASP  16          HB2       ASP  16   2.724   8.672  -3.202
   99    H    LEU  17           H        LEU  17   0.123   7.831  -4.656
  100    HA   LEU  17           HA       LEU  17   0.050   5.967  -2.543
  101   1HB   LEU  17          HB1       LEU  17  -1.568   7.931  -3.437
  102   2HB   LEU  17          HB2       LEU  17  -2.408   6.539  -4.091
  103    HG   LEU  17           HG       LEU  17  -1.755   5.955  -1.371
  104   1HD1  LEU  17          HD1       LEU  17  -1.512   8.363  -1.028
  105   2HD1  LEU  17          HD1       LEU  17  -3.131   8.633  -1.717
  106   3HD1  LEU  17          HD1       LEU  17  -2.952   7.732  -0.192
  107   1HD2  LEU  17          HD2       LEU  17  -4.532   6.686  -2.145
  108   2HD2  LEU  17          HD2       LEU  17  -3.749   5.370  -3.053
  109   3HD2  LEU  17          HD2       LEU  17  -3.911   5.257  -1.284
  110    H    ALA  18           H        ALA  18   0.061   5.697  -6.040
  111    HA   ALA  18           HA       ALA  18  -1.297   3.270  -6.298
  112   1HB   ALA  18          HB1       ALA  18   1.041   4.187  -8.000
  113   2HB   ALA  18          HB2       ALA  18  -0.388   3.247  -8.493
  114   3HB   ALA  18          HB3       ALA  18  -0.555   4.971  -8.082
  115    H    ARG  19           H        ARG  19   2.184   4.062  -5.709
  116    HA   ARG  19           HA       ARG  19   3.110   1.492  -5.873
  117   1HB   ARG  19          HB1       ARG  19   4.078   3.811  -4.127
  118   2HB   ARG  19          HB2       ARG  19   5.007   2.351  -4.405
  119   1HG   ARG  19          HG1       ARG  19   4.092   3.408  -6.959
  120   2HG   ARG  19          HG2       ARG  19   4.884   4.684  -6.055
  121   1HD   ARG  19          HD1       ARG  19   6.235   1.989  -6.109
  122   2HD   ARG  19          HD2       ARG  19   6.270   2.935  -7.584
  123    HE   ARG  19           HE       ARG  19   7.007   4.478  -5.202
  124   1HH1  ARG  19          HH1       ARG  19  10.380   4.574  -6.089
  125   2HH1  ARG  19          HH1       ARG  19   9.160   5.227  -5.047
  126   1HH2  ARG  19          HH2       ARG  19   9.827   2.940  -7.642
  127   2HH2  ARG  19          HH2       ARG  19   8.195   2.373  -7.759
  128    H    TYR  20           H        TYR  20   1.178   3.087  -3.416
  129    HA   TYR  20           HA       TYR  20   1.848   1.109  -1.391
  130   1HB   TYR  20          HB1       TYR  20   1.545   3.311  -0.501
  131   2HB   TYR  20          HB2       TYR  20   0.348   3.731  -1.710
  132    HD1  TYR  20           HD1      TYR  20  -1.938   3.697  -1.174
  133    HD2  TYR  20           HD2      TYR  20   0.829   1.601   1.327
  134    HE1  TYR  20           HE1      TYR  20  -3.788   3.252   0.512
  135    HE2  TYR  20           HE2      TYR  20  -1.030   1.163   3.004
  136    HH   TYR  20           HH       TYR  20  -4.286   1.626   2.247
  137    H    TYR  21           H        TYR  21  -0.334   1.506  -4.024
  138    HA   TYR  21           HA       TYR  21  -2.367  -0.156  -2.731
  139   1HB   TYR  21          HB1       TYR  21  -2.144   1.952  -4.795
  140   2HB   TYR  21          HB2       TYR  21  -2.961   0.552  -5.461
  141    HD1  TYR  21           HD1      TYR  21  -5.140  -0.182  -4.567
  142    HD2  TYR  21           HD2      TYR  21  -3.178   3.309  -3.059
  143    HE1  TYR  21           HE1      TYR  21  -7.308   0.573  -3.474
  144    HE2  TYR  21           HE2      TYR  21  -5.353   4.051  -1.970
  145    HH   TYR  21           HH       TYR  21  -7.683   2.285  -1.216
  146    H    SER  22           H        SER  22   0.177  -0.147  -5.207
  147    HA   SER  22           HA       SER  22  -0.788  -2.506  -6.451
  148   1HB   SER  22          HB1       SER  22   1.232  -0.514  -6.944
  149   2HB   SER  22          HB2       SER  22   2.018  -2.080  -6.969
  150    HG   SER  22           HG       SER  22   0.881  -1.123  -9.016
  151    H    ALA  23           H        ALA  23   1.534  -1.633  -3.874
  152    HA   ALA  23           HA       ALA  23   2.621  -4.289  -3.731
  153   1HB   ALA  23          HB1       ALA  23   2.898  -2.121  -1.640
  154   2HB   ALA  23          HB2       ALA  23   4.064  -3.381  -2.110
  155   3HB   ALA  23          HB3       ALA  23   3.754  -2.005  -3.196
  156    H    LEU  24           H        LEU  24  -0.064  -2.446  -2.371
  157    HA   LEU  24           HA       LEU  24  -0.418  -4.004  -0.053
  158   1HB   LEU  24          HB1       LEU  24  -1.710  -2.259   0.315
  159   2HB   LEU  24          HB2       LEU  24  -1.659  -1.786  -1.372
  160    HG   LEU  24           HG       LEU  24  -3.948  -2.037  -0.668
  161   1HD1  LEU  24          HD1       LEU  24  -4.142  -4.421  -2.211
  162   2HD1  LEU  24          HD1       LEU  24  -4.403  -2.736  -2.720
  163   3HD1  LEU  24          HD1       LEU  24  -2.783  -3.463  -2.846
  164   1HD2  LEU  24          HD2       LEU  24  -2.936  -4.307   0.773
  165   2HD2  LEU  24          HD2       LEU  24  -4.511  -3.489   0.909
  166   3HD2  LEU  24          HD2       LEU  24  -4.293  -4.810  -0.263
  167    H    ARG  25           H        ARG  25  -0.790  -4.699  -3.402
  168    HA   ARG  25           HA       ARG  25  -2.912  -6.562  -2.990
  169   1HB   ARG  25          HB1       ARG  25  -1.324  -5.525  -5.314
  170   2HB   ARG  25          HB2       ARG  25  -1.950  -7.152  -5.494
  171   1HG   ARG  25          HG1       ARG  25  -4.088  -5.622  -4.386
  172   2HG   ARG  25          HG2       ARG  25  -3.380  -4.612  -5.631
  173   1HD   ARG  25          HD1       ARG  25  -4.926  -5.877  -6.875
  174   2HD   ARG  25          HD2       ARG  25  -3.452  -6.794  -7.117
  175    HE   ARG  25           HE       ARG  25  -4.365  -8.551  -5.866
  176   1HH1  ARG  25          HH1       ARG  25  -7.305  -8.721  -3.994
  177   2HH1  ARG  25          HH1       ARG  25  -5.983  -9.621  -4.658
  178   1HH2  ARG  25          HH2       ARG  25  -7.434  -6.428  -4.333
  179   2HH2  ARG  25          HH2       ARG  25  -6.207  -5.618  -5.249
  180    H    HIS  26           H        HIS  26   0.541  -6.752  -4.152
  181    HA   HIS  26           HA       HIS  26   0.711  -9.509  -4.055
  182   1HB   HIS  26          HB1       HIS  26   2.355  -7.372  -4.752
  183   2HB   HIS  26          HB2       HIS  26   3.216  -8.137  -3.432
  184    HD1  HIS  26           HD1      HIS  26   4.063  -8.175  -6.530
  185    HD2  HIS  26           HD2      HIS  26   2.220 -11.290  -4.409
  186    HE1  HIS  26           HE1      HIS  26   4.633 -10.325  -7.779
  187    H    TYR  27           H        TYR  27   0.608  -7.132  -1.501
  188    HA   TYR  27           HA       TYR  27   1.904  -8.848   0.426
  189   1HB   TYR  27          HB1       TYR  27   2.192  -6.502   0.812
  190   2HB   TYR  27          HB2       TYR  27   0.599  -6.114   0.195
  191    HD1  TYR  27           HD1      TYR  27  -0.485  -4.909   1.873
  192    HD2  TYR  27           HD2      TYR  27   1.621  -8.484   2.915
  193    HE1  TYR  27           HE1      TYR  27  -1.360  -4.740   4.253
  194    HE2  TYR  27           HE2      TYR  27   0.739  -8.303   5.292
  195    HH   TYR  27           HH       TYR  27  -0.114  -6.023   6.725
  196    H    ILE  28           H        ILE  28  -1.428  -7.658  -0.338
  197    HA   ILE  28           HA       ILE  28  -2.542  -9.200   1.810
  198    HB   ILE  28           HB       ILE  28  -3.708  -7.510  -0.395
  199   1HG1  ILE  28          1HG1      ILE  28  -2.554  -6.292   1.383
  200   2HG1  ILE  28          2HG1      ILE  28  -4.279  -5.988   1.414
  201   1HG2  ILE  28          1HG2      ILE  28  -5.275  -9.315   0.027
  202   2HG2  ILE  28          2HG2      ILE  28  -5.182  -9.020   1.780
  203   3HG2  ILE  28          3HG2      ILE  28  -5.892  -7.790   0.707
  204   1HD1  ILE  28          1HD1      ILE  28  -2.614  -7.052   3.512
  205   2HD1  ILE  28          2HD1      ILE  28  -4.353  -6.675   3.567
  206   3HD1  ILE  28          3HD1      ILE  28  -3.808  -8.292   3.060
  207    H    ASN  29           H        ASN  29  -1.364  -9.874  -1.317
  208    HA   ASN  29           HA       ASN  29  -3.167 -11.521  -2.432
  209   1HB   ASN  29          HB1       ASN  29  -0.971 -11.000  -3.454
  210   2HB   ASN  29          HB2       ASN  29  -0.136 -11.898  -2.203
  211   1HD2  ASN  29          HD2       ASN  29  -0.275 -14.149  -2.120
  212   2HD2  ASN  29          HD2       ASN  29  -0.733 -15.108  -3.488
  213    H    LEU  30           H        LEU  30  -0.917 -12.122   0.318
  214    HA   LEU  30           HA       LEU  30  -1.142 -14.856   0.528
  215   1HB   LEU  30          HB1       LEU  30   0.327 -14.352   2.086
  216   2HB   LEU  30          HB2       LEU  30  -0.152 -12.667   2.064
  217    HG   LEU  30           HG       LEU  30  -2.017 -13.271   3.667
  218   1HD1  LEU  30          HD1       LEU  30  -2.449 -15.384   4.172
  219   2HD1  LEU  30          HD1       LEU  30  -1.145 -15.907   3.078
  220   3HD1  LEU  30          HD1       LEU  30  -0.796 -15.597   4.796
  221   1HD2  LEU  30          HD2       LEU  30   0.801 -13.769   4.663
  222   2HD2  LEU  30          HD2       LEU  30   0.094 -12.167   4.342
  223   3HD2  LEU  30          HD2       LEU  30  -0.592 -13.204   5.616
  224    H    ALA  31           H        ALA  31  -3.550 -12.378   0.985
  225    HA   ALA  31           HA       ALA  31  -5.194 -13.959   2.728
  226   1HB   ALA  31          HB1       ALA  31  -5.977 -11.518   1.100
  227   2HB   ALA  31          HB2       ALA  31  -6.691 -12.102   2.622
  228   3HB   ALA  31          HB3       ALA  31  -5.053 -11.406   2.617
  229   1HN   AIB  32          1HN       AIB  32  -7.561 -12.944   0.912
  230   1HB1  AIB  32          1HB1      AIB  32  -6.234 -14.297  -1.808
  231   2HB1  AIB  32          2HB1      AIB  32  -7.662 -14.873  -2.709
  232   3HB1  AIB  32          3HB1      AIB  32  -6.832 -15.966  -1.588
  233   1HB2  AIB  32          1HB2      AIB  32 -10.090 -13.920  -1.240
  234   2HB2  AIB  32          2HB2      AIB  32  -8.838 -12.958  -2.044
  235   3HB2  AIB  32          3HB2      AIB  32  -9.260 -12.617  -0.344
  236    H    ARG  33           H        ARG  33  -7.303 -15.759   1.573
  237    HA   ARG  33           HA       ARG  33  -9.117 -17.882   1.054
  238   1HB   ARG  33          HB1       ARG  33  -7.335 -18.856   2.127
  239   2HB   ARG  33          HB2       ARG  33  -6.834 -17.343   2.856
  240   1HG   ARG  33          HG1       ARG  33  -7.521 -18.977   4.591
  241   2HG   ARG  33          HG2       ARG  33  -8.565 -17.570   4.610
  242   1HD   ARG  33          HD1       ARG  33  -9.839 -19.271   2.778
  243   2HD   ARG  33          HD2       ARG  33  -9.225 -20.383   3.985
  244    HE   ARG  33           HE       ARG  33 -10.415 -18.187   5.360
  245   1HH1  ARG  33          HH1       ARG  33 -13.612 -19.551   5.674
  246   2HH1  ARG  33          HH1       ARG  33 -12.511 -18.349   6.257
  247   1HH2  ARG  33          HH2       ARG  33 -12.959 -20.999   3.981
  248   2HH2  ARG  33          HH2       ARG  33 -11.370 -20.876   3.301
  249    H    GLN  34           H        GLN  34  -8.709 -15.246   3.504
  250    HA   GLN  34           HA       GLN  34 -10.669 -15.908   5.232
  251   1HB   GLN  34          HB1       GLN  34  -9.636 -13.235   4.252
  252   2HB   GLN  34          HB2       GLN  34 -10.928 -13.292   5.434
  253   1HG   GLN  34          HG1       GLN  34  -8.421 -14.941   5.874
  254   2HG   GLN  34          HG2       GLN  34  -8.405 -13.227   6.240
  255   1HE2  GLN  34          1HE2      GLN  34  -9.965 -12.378   7.729
  256   2HE2  GLN  34          2HE2      GLN  34 -10.598 -13.358   9.008
  257    H    ARG  35           H        ARG  35 -10.982 -14.244   2.051
  258    HA   ARG  35           HA       ARG  35 -13.834 -14.133   2.445
  259   1HB   ARG  35          HB1       ARG  35 -11.862 -12.887   0.539
  260   2HB   ARG  35          HB2       ARG  35 -13.495 -13.114  -0.055
  261   1HG   ARG  35          HG1       ARG  35 -14.439 -11.694   1.602
  262   2HG   ARG  35          HG2       ARG  35 -13.055 -11.849   2.665
  263   1HD   ARG  35          HD1       ARG  35 -12.312 -10.717   0.040
  264   2HD   ARG  35          HD2       ARG  35 -13.524  -9.749   0.856
  265    HE   ARG  35           HE       ARG  35 -11.295 -10.570   2.587
  266   1HH1  ARG  35          HH1       ARG  35 -10.010  -7.329   2.729
  267   2HH1  ARG  35          HH1       ARG  35  -9.940  -8.922   3.405
  268   1HH2  ARG  35          HH2       ARG  35 -11.479  -6.868   0.993
  269   2HH2  ARG  35          HH2       ARG  35 -12.506  -8.118   0.372
  270    H    TYR  36           H        TYR  36 -12.180 -16.690   2.014
  271    HA   TYR  36           HA       TYR  36 -12.320 -18.601   0.899
  272   1HB   TYR  36          HB1       TYR  36 -14.632 -18.865   1.206
  273   2HB   TYR  36          HB2       TYR  36 -14.959 -17.210   0.732
  274    HD1  TYR  36           HD1      TYR  36 -14.044 -20.533  -0.737
  275    HD2  TYR  36           HD2      TYR  36 -16.006 -16.775  -1.314
  276    HE1  TYR  36           HE1      TYR  36 -14.958 -21.344  -2.966
  277    HE2  TYR  36           HE2      TYR  36 -16.913 -17.599  -3.541
  278    HH   TYR  36           HH       TYR  36 -15.959 -19.505  -5.278
  279   1HN   NH2  37          HN1       NH2 237 -10.868 -18.819  -0.647
  280   2HN   NH2  37          HN2       NH2 237 -10.975 -18.200  -2.260
  Start of MODEL   19
    1    H    TYR   1           H        TYR   1  18.852  11.152 -29.171
    2    HA   TYR   1           HA       TYR   1  16.892   9.827 -28.593
    3   1HB   TYR   1          HB1       TYR   1  17.652   7.913 -27.465
    4   2HB   TYR   1          HB2       TYR   1  19.102   8.726 -26.911
    5    HD1  TYR   1           HD1      TYR   1  19.269   9.573 -24.692
    6    HD2  TYR   1           HD2      TYR   1  15.485   8.249 -26.186
    7    HE1  TYR   1           HE1      TYR   1  18.289   9.710 -22.350
    8    HE2  TYR   1           HE2      TYR   1  14.517   8.390 -23.839
    9    HH   TYR   1           HH       TYR   1  16.541   9.460 -21.117
   10    HA   PRO   2           HA       PRO   2  16.487  13.614 -26.341
   11   1HB   PRO   2          HB1       PRO   2  13.995  14.253 -27.263
   12   2HB   PRO   2          HB2       PRO   2  15.470  14.737 -28.076
   13   1HG   PRO   2          HG1       PRO   2  13.552  12.616 -28.824
   14   2HG   PRO   2          HG2       PRO   2  14.771  13.392 -29.815
   15   1HD   PRO   2          HD1       PRO   2  14.920  10.777 -28.645
   16   2HD   PRO   2          HD2       PRO   2  16.184  11.600 -29.538
   17    H    SER   3           H        SER   3  13.185  12.579 -26.622
   18    HA   SER   3           HA       SER   3  11.721  12.307 -25.005
   19   1HB   SER   3          HB1       SER   3  13.808  10.167 -24.533
   20   2HB   SER   3          HB2       SER   3  12.408  10.250 -23.482
   21    HG   SER   3           HG       SER   3  12.368   9.983 -26.368
   22    H    LYS   4           H        LYS   4  12.065  14.426 -23.964
   23    HA   LYS   4           HA       LYS   4  13.933  14.685 -21.850
   24   1HB   LYS   4          HB1       LYS   4  11.527  16.456 -22.143
   25   2HB   LYS   4          HB2       LYS   4  13.163  16.866 -21.668
   26   1HG   LYS   4          HG1       LYS   4  13.548  15.844 -24.229
   27   2HG   LYS   4          HG2       LYS   4  11.991  16.631 -24.385
   28   1HD   LYS   4          HD1       LYS   4  13.699  18.391 -22.871
   29   2HD   LYS   4          HD2       LYS   4  14.612  17.845 -24.263
   30   1HE   LYS   4          HE1       LYS   4  11.766  18.659 -24.774
   31   2HE   LYS   4          HE2       LYS   4  12.881  19.946 -24.359
   32   1HZ   LYS   4          HZ1       LYS   4  13.508  17.970 -26.430
   33   2HZ   LYS   4          HZ2       LYS   4  12.701  19.350 -26.763
   34   3HZ   LYS   4          HZ3       LYS   4  14.223  19.415 -26.172
   35    HA   PRO   5           HA       PRO   5  11.429  12.530 -18.976
   36   1HB   PRO   5          HB1       PRO   5  13.310  12.321 -17.004
   37   2HB   PRO   5          HB2       PRO   5  13.164  11.167 -18.315
   38   1HG   PRO   5          HG1       PRO   5  15.186  13.289 -17.931
   39   2HG   PRO   5          HG2       PRO   5  15.255  11.882 -18.974
   40   1HD   PRO   5          HD1       PRO   5  14.737  14.588 -19.774
   41   2HD   PRO   5          HD2       PRO   5  14.693  13.165 -20.797
   42    H    ASP   6           H        ASP   6  10.028  14.429 -18.947
   43    HA   ASP   6           HA       ASP   6  10.755  16.343 -16.957
   44   1HB   ASP   6          HB1       ASP   6   9.574  17.141 -18.923
   45   2HB   ASP   6          HB2       ASP   6   8.312  15.940 -18.731
   46    H    ASN   7           H        ASN   7  10.089  16.227 -14.794
   47    HA   ASN   7           HA       ASN   7   9.203  15.450 -12.972
   48   1HB   ASN   7          HB1       ASN   7   6.832  15.372 -14.866
   49   2HB   ASN   7          HB2       ASN   7   6.635  14.733 -13.246
   50   1HD2  ASN   7          HD2       ASN   7   7.310  17.547 -15.192
   51   2HD2  ASN   7          HD2       ASN   7   7.034  18.759 -13.986
   52    HA   PRO   8           HA       PRO   8   9.815  11.094 -13.931
   53   1HB   PRO   8          HB1       PRO   8  11.420  10.515 -11.797
   54   2HB   PRO   8          HB2       PRO   8  12.041  11.055 -13.344
   55   1HG   PRO   8          HG1       PRO   8  11.792  12.568 -10.817
   56   2HG   PRO   8          HG2       PRO   8  12.775  12.931 -12.222
   57   1HD   PRO   8          HD1       PRO   8  10.305  14.190 -11.483
   58   2HD   PRO   8          HD2       PRO   8  11.228  14.471 -12.946
   59    H    GLY   9           H        GLY   9   9.467  12.086 -10.551
   60   1HA   GLY   9          HA1       GLY   9   7.053  11.510  -9.854
   61   2HA   GLY   9          HA2       GLY   9   7.556   9.872 -10.220
   62    H    GLU  10           H        GLU  10   8.968  12.759  -8.500
   63    HA   GLU  10           HA       GLU  10  10.056  10.920  -6.558
   64   1HB   GLU  10          HB1       GLU  10  10.458  13.908  -6.429
   65   2HB   GLU  10          HB2       GLU  10  11.559  12.626  -5.966
   66   1HG   GLU  10          HG1       GLU  10  11.280  12.089  -8.652
   67   2HG   GLU  10          HG2       GLU  10  11.072  13.829  -8.656
   68    H    ASP  11           H        ASP  11   8.089  13.980  -6.641
   69    HA   ASP  11           HA       ASP  11   6.761  12.977  -4.258
   70   1HB   ASP  11          HB1       ASP  11   8.532  14.916  -3.937
   71   2HB   ASP  11          HB2       ASP  11   7.304  15.936  -4.660
   72    H    ALA  12           H        ALA  12   4.718  12.548  -5.163
   73    HA   ALA  12           HA       ALA  12   3.062  14.660  -5.923
   74   1HB   ALA  12          HB1       ALA  12   2.879  14.430  -8.276
   75   2HB   ALA  12          HB2       ALA  12   4.631  14.462  -7.961
   76   3HB   ALA  12          HB3       ALA  12   3.814  12.915  -8.286
   77    HA   PRO  13           HA       PRO  13   0.265  11.463  -5.118
   78   1HB   PRO  13          HB1       PRO  13  -2.041  12.394  -6.251
   79   2HB   PRO  13          HB2       PRO  13  -1.446  12.945  -4.698
   80   1HG   PRO  13          HG1       PRO  13  -1.387  14.337  -7.306
   81   2HG   PRO  13          HG2       PRO  13  -1.199  15.009  -5.698
   82   1HD   PRO  13          HD1       PRO  13   0.886  14.505  -7.602
   83   2HD   PRO  13          HD2       PRO  13   1.085  15.068  -5.955
   84    H    ALA  14           H        ALA  14  -1.355   9.841  -6.008
   85    HA   ALA  14           HA       ALA  14  -1.997   8.455  -7.648
   86   1HB   ALA  14          HB1       ALA  14  -1.345  10.670  -9.134
   87   2HB   ALA  14          HB2       ALA  14  -0.208   9.463  -9.782
   88   3HB   ALA  14          HB3       ALA  14  -1.958   9.142  -9.812
   89    H    GLU  15           H        GLU  15   1.496   9.423  -7.865
   90    HA   GLU  15           HA       GLU  15   2.193   6.665  -8.230
   91   1HB   GLU  15          HB1       GLU  15   3.298   8.805  -9.307
   92   2HB   GLU  15          HB2       GLU  15   4.180   8.909  -7.796
   93   1HG   GLU  15          HG1       GLU  15   4.158   6.168  -8.900
   94   2HG   GLU  15          HG2       GLU  15   4.875   7.326 -10.003
   95    H    ASP  16           H        ASP  16   1.356   8.578  -5.608
   96    HA   ASP  16           HA       ASP  16   3.299   7.298  -3.870
   97   1HB   ASP  16          HB1       ASP  16   1.573   9.759  -3.705
   98   2HB   ASP  16          HB2       ASP  16   1.931   8.940  -2.198
   99    H    LEU  17           H        LEU  17  -0.050   7.368  -4.928
  100    HA   LEU  17           HA       LEU  17  -0.917   5.849  -2.587
  101   1HB   LEU  17          HB1       LEU  17  -2.084   7.930  -3.905
  102   2HB   LEU  17          HB2       LEU  17  -2.862   6.564  -4.680
  103    HG   LEU  17           HG       LEU  17  -4.158   7.451  -2.787
  104   1HD1  LEU  17          HD1       LEU  17  -4.005   5.083  -1.450
  105   2HD1  LEU  17          HD1       LEU  17  -4.887   5.337  -2.975
  106   3HD1  LEU  17          HD1       LEU  17  -3.242   4.658  -3.002
  107   1HD2  LEU  17          HD2       LEU  17  -1.960   6.452  -0.966
  108   2HD2  LEU  17          HD2       LEU  17  -2.135   8.154  -1.454
  109   3HD2  LEU  17          HD2       LEU  17  -3.430   7.356  -0.530
  110    H    ALA  18           H        ALA  18  -0.402   5.687  -6.123
  111    HA   ALA  18           HA       ALA  18  -1.646   3.196  -6.495
  112   1HB   ALA  18          HB1       ALA  18  -0.293   3.201  -8.609
  113   2HB   ALA  18          HB2       ALA  18  -1.194   4.712  -8.341
  114   3HB   ALA  18          HB3       ALA  18   0.555   4.649  -8.016
  115    H    ARG  19           H        ARG  19   1.780   4.174  -5.835
  116    HA   ARG  19           HA       ARG  19   2.837   1.654  -5.990
  117   1HB   ARG  19          HB1       ARG  19   4.729   2.576  -4.686
  118   2HB   ARG  19          HB2       ARG  19   4.178   3.756  -5.859
  119   1HG   ARG  19          HG1       ARG  19   4.007   5.221  -4.128
  120   2HG   ARG  19          HG2       ARG  19   2.587   4.324  -3.629
  121   1HD   ARG  19          HD1       ARG  19   4.289   2.729  -2.407
  122   2HD   ARG  19          HD2       ARG  19   5.440   4.034  -2.619
  123    HE   ARG  19           HE       ARG  19   2.900   4.940  -1.485
  124   1HH1  ARG  19          HH1       ARG  19   4.241   5.333   1.713
  125   2HH1  ARG  19          HH1       ARG  19   2.897   5.681   0.677
  126   1HH2  ARG  19          HH2       ARG  19   6.044   4.115   0.905
  127   2HH2  ARG  19          HH2       ARG  19   6.045   3.554  -0.734
  128    H    TYR  20           H        TYR  20   0.808   3.155  -3.547
  129    HA   TYR  20           HA       TYR  20   1.551   1.210  -1.517
  130   1HB   TYR  20          HB1       TYR  20   1.122   3.393  -0.633
  131   2HB   TYR  20          HB2       TYR  20  -0.081   3.749  -1.856
  132    HD1  TYR  20           HD1      TYR  20  -2.377   3.544  -1.374
  133    HD2  TYR  20           HD2      TYR  20   0.486   1.699   1.215
  134    HE1  TYR  20           HE1      TYR  20  -4.221   3.002   0.291
  135    HE2  TYR  20           HE2      TYR  20  -1.367   1.163   2.871
  136    HH   TYR  20           HH       TYR  20  -4.491   1.123   2.126
  137    H    TYR  21           H        TYR  21  -0.623   1.497  -4.173
  138    HA   TYR  21           HA       TYR  21  -2.578  -0.272  -2.905
  139   1HB   TYR  21          HB1       TYR  21  -2.443   1.846  -4.965
  140   2HB   TYR  21          HB2       TYR  21  -3.178   0.406  -5.641
  141    HD1  TYR  21           HD1      TYR  21  -3.412   2.042  -2.264
  142    HD2  TYR  21           HD2      TYR  21  -5.479   0.660  -5.745
  143    HE1  TYR  21           HE1      TYR  21  -5.635   2.672  -1.203
  144    HE2  TYR  21           HE2      TYR  21  -7.695   1.295  -4.672
  145    HH   TYR  21           HH       TYR  21  -8.576   1.583  -2.403
  146    H    SER  22           H        SER  22  -0.012  -0.126  -5.354
  147    HA   SER  22           HA       SER  22  -0.836  -2.528  -6.613
  148   1HB   SER  22          HB1       SER  22   1.002  -0.423  -7.142
  149   2HB   SER  22          HB2       SER  22   1.976  -1.875  -7.024
  150    HG   SER  22           HG       SER  22   0.983  -2.760  -8.773
  151    H    ALA  23           H        ALA  23   1.403  -1.548  -4.002
  152    HA   ALA  23           HA       ALA  23   2.615  -4.150  -3.848
  153   1HB   ALA  23          HB1       ALA  23   2.762  -1.606  -2.194
  154   2HB   ALA  23          HB2       ALA  23   3.645  -3.091  -1.766
  155   3HB   ALA  23          HB3       ALA  23   3.986  -2.265  -3.305
  156    H    LEU  24           H        LEU  24  -0.190  -2.459  -2.554
  157    HA   LEU  24           HA       LEU  24  -0.488  -4.045  -0.235
  158   1HB   LEU  24          HB1       LEU  24  -1.822  -2.332   0.142
  159   2HB   LEU  24          HB2       LEU  24  -1.813  -1.861  -1.546
  160    HG   LEU  24           HG       LEU  24  -4.081  -2.203  -0.799
  161   1HD1  LEU  24          HD1       LEU  24  -2.898  -3.549  -3.012
  162   2HD1  LEU  24          HD1       LEU  24  -4.193  -4.584  -2.363
  163   3HD1  LEU  24          HD1       LEU  24  -4.551  -2.909  -2.846
  164   1HD2  LEU  24          HD2       LEU  24  -2.953  -4.458   0.591
  165   2HD2  LEU  24          HD2       LEU  24  -4.544  -3.684   0.785
  166   3HD2  LEU  24          HD2       LEU  24  -4.326  -4.982  -0.413
  167    H    ARG  25           H        ARG  25  -0.810  -4.702  -3.595
  168    HA   ARG  25           HA       ARG  25  -2.883  -6.624  -3.249
  169   1HB   ARG  25          HB1       ARG  25  -1.199  -5.607  -5.535
  170   2HB   ARG  25          HB2       ARG  25  -1.920  -7.194  -5.722
  171   1HG   ARG  25          HG1       ARG  25  -4.117  -5.914  -4.834
  172   2HG   ARG  25          HG2       ARG  25  -3.273  -4.511  -5.458
  173   1HD   ARG  25          HD1       ARG  25  -4.559  -5.273  -7.311
  174   2HD   ARG  25          HD2       ARG  25  -2.947  -5.871  -7.649
  175    HE   ARG  25           HE       ARG  25  -4.560  -7.773  -6.120
  176   1HH1  ARG  25          HH1       ARG  25  -5.060  -9.863  -8.869
  177   2HH1  ARG  25          HH1       ARG  25  -5.184  -9.716  -7.148
  178   1HH2  ARG  25          HH2       ARG  25  -4.260  -8.087 -10.131
  179   2HH2  ARG  25          HH2       ARG  25  -3.787  -6.614  -9.352
  180    H    HIS  26           H        HIS  26   0.603  -6.737  -4.320
  181    HA   HIS  26           HA       HIS  26   0.823  -9.493  -4.217
  182   1HB   HIS  26          HB1       HIS  26   2.421  -7.364  -4.946
  183   2HB   HIS  26          HB2       HIS  26   3.269  -8.003  -3.552
  184    HD1  HIS  26           HD1      HIS  26   5.152  -9.361  -4.484
  185    HD2  HIS  26           HD2      HIS  26   1.537 -10.084  -6.485
  186    HE1  HIS  26           HE1      HIS  26   5.620 -11.237  -6.150
  187    H    TYR  27           H        TYR  27   0.678  -7.091  -1.674
  188    HA   TYR  27           HA       TYR  27   1.949  -8.786   0.281
  189   1HB   TYR  27          HB1       TYR  27   2.194  -6.424   0.637
  190   2HB   TYR  27          HB2       TYR  27   0.587  -6.078   0.032
  191    HD1  TYR  27           HD1      TYR  27  -0.506  -4.890   1.718
  192    HD2  TYR  27           HD2      TYR  27   1.683  -8.419   2.748
  193    HE1  TYR  27           HE1      TYR  27  -1.366  -4.736   4.105
  194    HE2  TYR  27           HE2      TYR  27   0.816  -8.252   5.132
  195    HH   TYR  27           HH       TYR  27  -1.576  -6.980   6.091
  196    H    ILE  28           H        ILE  28  -1.381  -7.715  -0.614
  197    HA   ILE  28           HA       ILE  28  -2.504  -9.265   1.542
  198    HB   ILE  28           HB       ILE  28  -3.633  -7.512  -0.626
  199   1HG1  ILE  28          1HG1      ILE  28  -2.613  -6.325   1.216
  200   2HG1  ILE  28          2HG1      ILE  28  -4.354  -6.138   1.286
  201   1HG2  ILE  28          1HG2      ILE  28  -5.404  -8.936  -0.556
  202   2HG2  ILE  28          2HG2      ILE  28  -5.019  -9.524   1.079
  203   3HG2  ILE  28          3HG2      ILE  28  -5.801  -7.939   0.864
  204   1HD1  ILE  28          1HD1      ILE  28  -4.213  -6.834   3.443
  205   2HD1  ILE  28          2HD1      ILE  28  -3.900  -8.461   2.793
  206   3HD1  ILE  28          3HD1      ILE  28  -2.539  -7.397   3.222
  207    H    ASN  29           H        ASN  29  -1.202  -9.940  -1.497
  208    HA   ASN  29           HA       ASN  29  -3.056 -11.618  -2.615
  209   1HB   ASN  29          HB1       ASN  29  -0.914 -10.872  -3.703
  210   2HB   ASN  29          HB2       ASN  29  -0.002 -11.886  -2.603
  211   1HD2  ASN  29          HD2       ASN  29   0.200 -14.017  -2.956
  212   2HD2  ASN  29          HD2       ASN  29  -0.455 -14.876  -4.309
  213    H    LEU  30           H        LEU  30  -1.234 -11.879   0.329
  214    HA   LEU  30           HA       LEU  30  -1.378 -14.789   0.360
  215   1HB   LEU  30          HB1       LEU  30   0.620 -14.436   1.257
  216   2HB   LEU  30          HB2       LEU  30   0.289 -12.747   1.586
  217    HG   LEU  30           HG       LEU  30  -0.983 -13.466   3.637
  218   1HD1  LEU  30          HD1       LEU  30  -0.679 -16.033   2.491
  219   2HD1  LEU  30          HD1       LEU  30   0.283 -16.018   3.988
  220   3HD1  LEU  30          HD1       LEU  30  -1.446 -15.597   4.037
  221   1HD2  LEU  30          HD2       LEU  30   1.680 -14.554   4.178
  222   2HD2  LEU  30          HD2       LEU  30   1.710 -13.032   3.256
  223   3HD2  LEU  30          HD2       LEU  30   0.872 -13.106   4.824
  224    H    ALA  31           H        ALA  31  -3.151 -11.974   1.302
  225    HA   ALA  31           HA       ALA  31  -4.739 -13.641   3.134
  226   1HB   ALA  31          HB1       ALA  31  -5.333 -11.075   3.862
  227   2HB   ALA  31          HB2       ALA  31  -4.074 -12.066   4.639
  228   3HB   ALA  31          HB3       ALA  31  -3.631 -10.895   3.373
  229   1HN   AIB  32          1HN       AIB  32  -5.370 -14.013   0.571
  230   1HB1  AIB  32          1HB1      AIB  32  -6.125 -14.342  -1.717
  231   2HB1  AIB  32          2HB1      AIB  32  -7.856 -14.086  -2.059
  232   3HB1  AIB  32          3HB1      AIB  32  -7.372 -15.197  -0.766
  233   1HB2  AIB  32          1HB2      AIB  32  -6.211 -11.722  -1.758
  234   2HB2  AIB  32          2HB2      AIB  32  -6.686 -10.895  -0.265
  235   3HB2  AIB  32          3HB2      AIB  32  -7.939 -11.422  -1.421
  236    H    ARG  33           H        ARG  33  -7.767 -14.559   1.835
  237    HA   ARG  33           HA       ARG  33 -10.450 -14.451   1.708
  238   1HB   ARG  33          HB1       ARG  33  -9.881 -15.885   3.408
  239   2HB   ARG  33          HB2       ARG  33  -8.424 -14.992   3.795
  240   1HG   ARG  33          HG1       ARG  33  -9.731 -13.327   5.071
  241   2HG   ARG  33          HG2       ARG  33 -11.233 -14.096   4.597
  242   1HD   ARG  33          HD1       ARG  33 -10.161 -16.264   5.696
  243   2HD   ARG  33          HD2       ARG  33  -9.106 -15.121   6.501
  244    HE   ARG  33           HE       ARG  33 -11.898 -15.586   7.099
  245   1HH1  ARG  33          HH1       ARG  33 -12.226 -12.806   9.183
  246   2HH1  ARG  33          HH1       ARG  33 -12.930 -14.310   8.690
  247   1HH2  ARG  33          HH2       ARG  33 -10.237 -12.087   8.229
  248   2HH2  ARG  33          HH2       ARG  33  -9.455 -13.054   7.023
  249    H    GLN  34           H        GLN  34  -8.195 -11.918   2.655
  250    HA   GLN  34           HA       GLN  34  -9.735 -10.412   4.325
  251   1HB   GLN  34          HB1       GLN  34  -7.280 -10.098   3.544
  252   2HB   GLN  34          HB2       GLN  34  -7.941  -9.213   2.184
  253   1HG   GLN  34          HG1       GLN  34  -8.314  -7.367   3.456
  254   2HG   GLN  34          HG2       GLN  34  -9.178  -8.295   4.666
  255   1HE2  GLN  34          1HE2      GLN  34  -7.106  -6.123   4.756
  256   2HE2  GLN  34          2HE2      GLN  34  -5.867  -6.693   5.824
  257    H    ARG  35           H        ARG  35 -10.201 -11.130   0.948
  258    HA   ARG  35           HA       ARG  35 -11.838  -8.799   0.561
  259   1HB   ARG  35          HB1       ARG  35 -10.590 -10.886  -1.161
  260   2HB   ARG  35          HB2       ARG  35 -12.181 -10.386  -1.698
  261   1HG   ARG  35          HG1       ARG  35 -11.516  -8.102  -1.949
  262   2HG   ARG  35          HG2       ARG  35 -10.091  -8.311  -0.951
  263   1HD   ARG  35          HD1       ARG  35  -8.882  -9.413  -2.655
  264   2HD   ARG  35          HD2       ARG  35 -10.331  -9.946  -3.486
  265    HE   ARG  35           HE       ARG  35 -10.321  -7.947  -4.687
  266   1HH1  ARG  35          HH1       ARG  35  -8.639  -4.937  -4.151
  267   2HH1  ARG  35          HH1       ARG  35  -9.652  -5.832  -5.234
  268   1HH2  ARG  35          HH2       ARG  35  -7.962  -5.886  -2.145
  269   2HH2  ARG  35          HH2       ARG  35  -8.469  -7.489  -1.730
  270    H    TYR  36           H        TYR  36 -12.466 -11.106   2.505
  271    HA   TYR  36           HA       TYR  36 -15.234 -11.336   1.783
  272   1HB   TYR  36          HB1       TYR  36 -13.574 -13.867   2.269
  273   2HB   TYR  36          HB2       TYR  36 -15.186 -13.774   1.587
  274    HD1  TYR  36           HD1      TYR  36 -11.608 -13.014   0.878
  275    HD2  TYR  36           HD2      TYR  36 -15.515 -13.626  -0.756
  276    HE1  TYR  36           HE1      TYR  36 -10.627 -13.069  -1.467
  277    HE2  TYR  36           HE2      TYR  36 -14.520 -13.678  -3.095
  278    HH   TYR  36           HH       TYR  36 -12.248 -14.264  -4.070
  279   1HN   NH2  37          HN1       NH2 237 -12.728 -12.937   3.774
  280   2HN   NH2  37          HN2       NH2 237 -13.499 -12.684   5.304
  Start of MODEL   20
    1    H    TYR   1           H        TYR   1  -9.260   1.207 -13.469
    2    HA   TYR   1           HA       TYR   1  -6.662   0.745 -12.379
    3   1HB   TYR   1          HB1       TYR   1  -7.788  -0.146 -15.086
    4   2HB   TYR   1          HB2       TYR   1  -6.721  -1.054 -14.033
    5    HD1  TYR   1           HD1      TYR   1  -7.656  -1.968 -11.839
    6    HD2  TYR   1           HD2      TYR   1 -10.143  -0.384 -14.940
    7    HE1  TYR   1           HE1      TYR   1  -9.666  -3.173 -10.853
    8    HE2  TYR   1           HE2      TYR   1 -12.144  -1.593 -13.943
    9    HH   TYR   1           HH       TYR   1 -11.776  -3.575 -11.012
   10    HA   PRO   2           HA       PRO   2  -5.178   3.931 -15.164
   11   1HB   PRO   2          HB1       PRO   2  -3.286   4.970 -13.488
   12   2HB   PRO   2          HB2       PRO   2  -4.922   5.588 -13.586
   13   1HG   PRO   2          HG1       PRO   2  -3.695   3.916 -11.479
   14   2HG   PRO   2          HG2       PRO   2  -5.155   4.882 -11.402
   15   1HD   PRO   2          HD1       PRO   2  -4.996   2.032 -11.675
   16   2HD   PRO   2          HD2       PRO   2  -6.450   3.009 -11.715
   17    H    SER   3           H        SER   3  -2.745   4.558 -15.757
   18    HA   SER   3           HA       SER   3  -1.164   2.163 -15.514
   19   1HB   SER   3          HB1       SER   3  -2.307   1.620 -17.546
   20   2HB   SER   3          HB2       SER   3  -2.201   3.262 -18.147
   21    HG   SER   3           HG       SER   3  -0.331   2.771 -19.048
   22    H    LYS   4           H        LYS   4  -1.409   5.332 -17.298
   23    HA   LYS   4           HA       LYS   4   0.184   6.829 -17.773
   24   1HB   LYS   4          HB1       LYS   4   0.954   6.756 -14.874
   25   2HB   LYS   4          HB2       LYS   4   0.697   8.133 -15.926
   26   1HG   LYS   4          HG1       LYS   4  -1.802   6.959 -15.996
   27   2HG   LYS   4          HG2       LYS   4  -1.288   6.538 -14.375
   28   1HD   LYS   4          HD1       LYS   4  -0.703   9.356 -15.111
   29   2HD   LYS   4          HD2       LYS   4  -2.413   8.970 -15.118
   30   1HE   LYS   4          HE1       LYS   4  -2.497   8.661 -12.833
   31   2HE   LYS   4          HE2       LYS   4  -0.921   7.897 -12.770
   32   1HZ   LYS   4          HZ1       LYS   4   0.069   9.848 -12.432
   33   2HZ   LYS   4          HZ2       LYS   4  -0.877  10.674 -13.477
   34   3HZ   LYS   4          HZ3       LYS   4  -1.405  10.370 -11.962
   35    HA   PRO   5           HA       PRO   5   3.700   4.111 -18.122
   36   1HB   PRO   5          HB1       PRO   5   4.246   4.646 -20.746
   37   2HB   PRO   5          HB2       PRO   5   3.202   3.335 -20.232
   38   1HG   PRO   5          HG1       PRO   5   2.460   5.936 -21.426
   39   2HG   PRO   5          HG2       PRO   5   1.504   4.472 -21.302
   40   1HD   PRO   5          HD1       PRO   5   1.252   6.828 -19.685
   41   2HD   PRO   5          HD2       PRO   5   0.377   5.323 -19.487
   42    H    ASP   6           H        ASP   6   4.375   5.813 -16.490
   43    HA   ASP   6           HA       ASP   6   5.893   7.218 -15.846
   44   1HB   ASP   6          HB1       ASP   6   7.170   6.546 -18.535
   45   2HB   ASP   6          HB2       ASP   6   7.964   7.540 -17.330
   46    H    ASN   7           H        ASN   7   6.742   9.512 -16.219
   47    HA   ASN   7           HA       ASN   7   6.142  10.866 -18.573
   48   1HB   ASN   7          HB1       ASN   7   3.786  10.672 -17.861
   49   2HB   ASN   7          HB2       ASN   7   4.181  11.243 -16.252
   50   1HD2  ASN   7          HD2       ASN   7   2.752  12.119 -18.983
   51   2HD2  ASN   7          HD2       ASN   7   3.040  13.826 -19.029
   52    HA   PRO   8           HA       PRO   8   8.897  13.362 -16.210
   53   1HB   PRO   8          HB1       PRO   8   9.390  15.318 -18.054
   54   2HB   PRO   8          HB2       PRO   8  10.223  13.776 -18.046
   55   1HG   PRO   8          HG1       PRO   8   8.081  14.716 -19.854
   56   2HG   PRO   8          HG2       PRO   8   9.203  13.388 -20.078
   57   1HD   PRO   8          HD1       PRO   8   6.441  13.193 -19.332
   58   2HD   PRO   8          HD2       PRO   8   7.592  11.877 -19.444
   59    H    GLY   9           H        GLY   9   8.274  14.408 -14.437
   60   1HA   GLY   9          HA1       GLY   9   7.287  17.026 -14.619
   61   2HA   GLY   9          HA2       GLY   9   5.924  15.946 -14.402
   62    H    GLU  10           H        GLU  10   6.598  14.020 -12.676
   63    HA   GLU  10           HA       GLU  10   7.000  13.511 -10.604
   64   1HB   GLU  10          HB1       GLU  10   8.868  15.832 -10.136
   65   2HB   GLU  10          HB2       GLU  10   8.992  14.181  -9.562
   66   1HG   GLU  10          HG1       GLU  10   9.117  13.738 -12.262
   67   2HG   GLU  10          HG2       GLU  10   9.815  15.344 -12.195
   68    H    ASP  11           H        ASP  11   4.657  14.645 -10.805
   69    HA   ASP  11           HA       ASP  11   4.220  15.824  -8.360
   70   1HB   ASP  11          HB1       ASP  11   3.402  18.103  -9.219
   71   2HB   ASP  11          HB2       ASP  11   5.139  17.896  -9.114
   72    H    ALA  12           H        ALA  12   2.549  14.161  -8.512
   73    HA   ALA  12           HA       ALA  12   0.083  15.035  -9.485
   74   1HB   ALA  12          HB1       ALA  12  -0.274  13.607 -11.387
   75   2HB   ALA  12          HB2       ALA  12   1.240  14.495 -11.680
   76   3HB   ALA  12          HB3       ALA  12   1.293  12.797 -11.150
   77    HA   PRO  13           HA       PRO  13  -1.018  11.847  -6.781
   78   1HB   PRO  13          HB1       PRO  13  -3.607  11.327  -7.486
   79   2HB   PRO  13          HB2       PRO  13  -3.140  12.696  -6.498
   80   1HG   PRO  13          HG1       PRO  13  -3.946  12.653  -9.341
   81   2HG   PRO  13          HG2       PRO  13  -3.890  14.012  -8.237
   82   1HD   PRO  13          HD1       PRO  13  -1.999  13.404 -10.306
   83   2HD   PRO  13          HD2       PRO  13  -1.884  14.695  -9.127
   84    H    ALA  14           H        ALA  14  -2.532   9.618  -6.819
   85    HA   ALA  14           HA       ALA  14  -2.162   7.460  -7.264
   86   1HB   ALA  14          HB1       ALA  14  -3.736   7.426  -8.899
   87   2HB   ALA  14          HB2       ALA  14  -3.059   8.856  -9.713
   88   3HB   ALA  14          HB3       ALA  14  -2.350   7.250 -10.001
   89    H    GLU  15           H        GLU  15   0.277   9.234  -7.152
   90    HA   GLU  15           HA       GLU  15   1.979   7.527  -8.798
   91   1HB   GLU  15          HB1       GLU  15   1.744  10.230  -9.112
   92   2HB   GLU  15          HB2       GLU  15   3.029  10.186  -7.922
   93   1HG   GLU  15          HG1       GLU  15   4.354   8.662  -9.366
   94   2HG   GLU  15          HG2       GLU  15   3.052   8.608 -10.538
   95    H    ASP  16           H        ASP  16   1.161   8.819  -5.646
   96    HA   ASP  16           HA       ASP  16   3.604   7.647  -4.579
   97   1HB   ASP  16          HB1       ASP  16   2.975  10.118  -4.112
   98   2HB   ASP  16          HB2       ASP  16   1.664   9.497  -3.130
   99    H    LEU  17           H        LEU  17   0.028   7.771  -4.524
  100    HA   LEU  17           HA       LEU  17  -0.120   5.877  -2.339
  101   1HB   LEU  17          HB1       LEU  17  -1.671   7.953  -3.010
  102   2HB   LEU  17          HB2       LEU  17  -2.511   6.697  -3.898
  103    HG   LEU  17           HG       LEU  17  -1.973   5.753  -1.233
  104   1HD1  LEU  17          HD1       LEU  17  -1.889   8.274  -0.827
  105   2HD1  LEU  17          HD1       LEU  17  -3.625   8.278  -1.218
  106   3HD1  LEU  17          HD1       LEU  17  -3.025   7.322   0.159
  107   1HD2  LEU  17          HD2       LEU  17  -4.258   5.216  -1.229
  108   2HD2  LEU  17          HD2       LEU  17  -4.658   6.513  -2.380
  109   3HD2  LEU  17          HD2       LEU  17  -3.759   5.080  -2.932
  110    H    ALA  18           H        ALA  18   0.285   5.868  -5.752
  111    HA   ALA  18           HA       ALA  18  -1.223   3.554  -6.354
  112   1HB   ALA  18          HB1       ALA  18  -0.746   4.502  -8.345
  113   2HB   ALA  18          HB2       ALA  18   0.626   5.413  -7.668
  114   3HB   ALA  18          HB3       ALA  18   0.854   3.733  -8.209
  115    H    ARG  19           H        ARG  19   2.262   4.165  -5.568
  116    HA   ARG  19           HA       ARG  19   3.085   1.573  -5.879
  117   1HB   ARG  19          HB1       ARG  19   4.094   3.715  -3.939
  118   2HB   ARG  19          HB2       ARG  19   4.972   2.246  -4.314
  119   1HG   ARG  19          HG1       ARG  19   4.139   3.596  -6.776
  120   2HG   ARG  19          HG2       ARG  19   5.041   4.694  -5.750
  121   1HD   ARG  19          HD1       ARG  19   7.010   3.483  -5.938
  122   2HD   ARG  19          HD2       ARG  19   6.186   1.938  -5.997
  123    HE   ARG  19           HE       ARG  19   6.076   2.102  -8.334
  124   1HH1  ARG  19          HH1       ARG  19   6.980   4.719 -10.459
  125   2HH1  ARG  19          HH1       ARG  19   6.506   3.056 -10.366
  126   1HH2  ARG  19          HH2       ARG  19   7.179   5.979  -8.519
  127   2HH2  ARG  19          HH2       ARG  19   6.853   5.255  -6.980
  128    H    TYR  20           H        TYR  20   1.079   3.044  -3.427
  129    HA   TYR  20           HA       TYR  20   1.614   0.911  -1.511
  130   1HB   TYR  20          HB1       TYR  20   1.398   3.054  -0.467
  131   2HB   TYR  20          HB2       TYR  20   0.264   3.627  -1.674
  132    HD1  TYR  20           HD1      TYR  20   0.548   1.295   1.232
  133    HD2  TYR  20           HD2      TYR  20  -2.048   3.637  -1.233
  134    HE1  TYR  20           HE1      TYR  20  -1.385   0.836   2.819
  135    HE2  TYR  20           HE2      TYR  20  -3.972   3.170   0.361
  136    HH   TYR  20           HH       TYR  20  -4.234   0.885   2.245
  137    H    TYR  21           H        TYR  21  -0.438   1.591  -4.180
  138    HA   TYR  21           HA       TYR  21  -2.615  -0.018  -3.070
  139   1HB   TYR  21          HB1       TYR  21  -2.179   2.180  -5.002
  140   2HB   TYR  21          HB2       TYR  21  -3.044   0.869  -5.779
  141    HD1  TYR  21           HD1      TYR  21  -3.201   2.393  -2.344
  142    HD2  TYR  21           HD2      TYR  21  -5.309   1.328  -5.911
  143    HE1  TYR  21           HE1      TYR  21  -5.375   3.209  -1.310
  144    HE2  TYR  21           HE2      TYR  21  -7.477   2.147  -4.865
  145    HH   TYR  21           HH       TYR  21  -8.310   2.384  -2.404
  146    H    SER  22           H        SER  22   0.039  -0.031  -5.427
  147    HA   SER  22           HA       SER  22  -1.013  -2.296  -6.798
  148   1HB   SER  22          HB1       SER  22   0.961  -0.317  -7.295
  149   2HB   SER  22          HB2       SER  22   1.839  -1.832  -7.224
  150    HG   SER  22           HG       SER  22   0.127  -2.674  -8.749
  151    H    ALA  23           H        ALA  23   1.270  -1.582  -4.152
  152    HA   ALA  23           HA       ALA  23   2.307  -4.270  -4.116
  153   1HB   ALA  23          HB1       ALA  23   3.978  -2.987  -3.288
  154   2HB   ALA  23          HB2       ALA  23   2.871  -1.658  -2.870
  155   3HB   ALA  23          HB3       ALA  23   3.067  -3.034  -1.760
  156    H    LEU  24           H        LEU  24  -0.397  -2.466  -2.811
  157    HA   LEU  24           HA       LEU  24  -0.800  -3.947  -0.467
  158   1HB   LEU  24          HB1       LEU  24  -2.312  -2.377  -0.201
  159   2HB   LEU  24          HB2       LEU  24  -1.992  -1.797  -1.823
  160    HG   LEU  24           HG       LEU  24  -4.341  -2.118  -1.612
  161   1HD1  LEU  24          HD1       LEU  24  -4.216  -4.525  -3.129
  162   2HD1  LEU  24          HD1       LEU  24  -4.403  -2.850  -3.702
  163   3HD1  LEU  24          HD1       LEU  24  -2.777  -3.552  -3.515
  164   1HD2  LEU  24          HD2       LEU  24  -3.620  -4.293   0.077
  165   2HD2  LEU  24          HD2       LEU  24  -5.228  -3.586  -0.209
  166   3HD2  LEU  24          HD2       LEU  24  -4.652  -4.927  -1.228
  167    H    ARG  25           H        ARG  25  -0.936  -4.854  -3.771
  168    HA   ARG  25           HA       ARG  25  -3.006  -6.778  -3.387
  169   1HB   ARG  25          HB1       ARG  25  -2.341  -5.500  -5.591
  170   2HB   ARG  25          HB2       ARG  25  -1.071  -6.698  -5.737
  171   1HG   ARG  25          HG1       ARG  25  -2.560  -8.148  -6.636
  172   2HG   ARG  25          HG2       ARG  25  -3.448  -8.157  -5.125
  173   1HD   ARG  25          HD1       ARG  25  -4.397  -5.818  -6.094
  174   2HD   ARG  25          HD2       ARG  25  -3.969  -6.555  -7.626
  175    HE   ARG  25           HE       ARG  25  -6.121  -7.396  -5.823
  176   1HH1  ARG  25          HH1       ARG  25  -7.042 -10.065  -7.875
  177   2HH1  ARG  25          HH1       ARG  25  -7.499  -9.078  -6.527
  178   1HH2  ARG  25          HH2       ARG  25  -5.030  -9.680  -8.966
  179   2HH2  ARG  25          HH2       ARG  25  -3.986  -8.405  -8.432
  180    H    HIS  26           H        HIS  26   0.535  -6.877  -4.257
  181    HA   HIS  26           HA       HIS  26   0.789  -9.625  -3.959
  182   1HB   HIS  26          HB1       HIS  26   2.375  -7.551  -4.813
  183   2HB   HIS  26          HB2       HIS  26   3.173  -8.010  -3.322
  184    HD1  HIS  26           HD1      HIS  26   3.766 -10.710  -3.149
  185    HD2  HIS  26           HD2      HIS  26   3.014  -9.131  -6.962
  186    HE1  HIS  26           HE1      HIS  26   4.738 -12.378  -4.817
  187    H    TYR  27           H        TYR  27   0.500  -7.042  -1.614
  188    HA   TYR  27           HA       TYR  27   1.732  -8.545   0.512
  189   1HB   TYR  27          HB1       TYR  27   1.891  -6.182   0.776
  190   2HB   TYR  27          HB2       TYR  27   0.365  -5.899  -0.037
  191    HD1  TYR  27           HD1      TYR  27   1.108  -8.036   2.950
  192    HD2  TYR  27           HD2      TYR  27  -0.886  -4.572   1.424
  193    HE1  TYR  27           HE1      TYR  27  -0.031  -7.694   5.197
  194    HE2  TYR  27           HE2      TYR  27  -2.019  -4.241   3.676
  195    HH   TYR  27           HH       TYR  27  -2.455  -6.394   5.806
  196    H    ILE  28           H        ILE  28  -1.593  -7.655  -0.585
  197    HA   ILE  28           HA       ILE  28  -2.780  -9.015   1.645
  198    HB   ILE  28           HB       ILE  28  -3.835  -7.632  -0.809
  199   1HG1  ILE  28          1HG1      ILE  28  -2.985  -6.186   0.958
  200   2HG1  ILE  28          2HG1      ILE  28  -4.726  -6.039   0.814
  201   1HG2  ILE  28          1HG2      ILE  28  -6.103  -7.963   0.408
  202   2HG2  ILE  28          2HG2      ILE  28  -5.454  -9.277  -0.602
  203   3HG2  ILE  28          3HG2      ILE  28  -5.300  -9.358   1.169
  204   1HD1  ILE  28          1HD1      ILE  28  -3.106  -7.044   3.073
  205   2HD1  ILE  28          2HD1      ILE  28  -4.761  -6.388   3.065
  206   3HD1  ILE  28          3HD1      ILE  28  -4.480  -8.100   2.664
  207    H    ASN  29           H        ASN  29  -1.464  -9.879  -1.436
  208    HA   ASN  29           HA       ASN  29  -3.104 -11.849  -2.288
  209   1HB   ASN  29          HB1       ASN  29  -0.980 -11.054  -3.414
  210   2HB   ASN  29          HB2       ASN  29  -0.041 -11.934  -2.224
  211   1HD2  ASN  29          HD2       ASN  29   0.798 -12.913  -4.224
  212   2HD2  ASN  29          HD2       ASN  29   0.011 -14.312  -4.873
  213    H    LEU  30           H        LEU  30  -1.006 -11.696   0.555
  214    HA   LEU  30           HA       LEU  30  -0.675 -14.451   0.986
  215   1HB   LEU  30          HB1       LEU  30  -0.280 -11.935   2.484
  216   2HB   LEU  30          HB2       LEU  30  -0.521 -13.368   3.464
  217    HG   LEU  30           HG       LEU  30   1.884 -12.612   2.775
  218   1HD1  LEU  30          HD1       LEU  30   1.163 -14.697   4.016
  219   2HD1  LEU  30          HD1       LEU  30   1.199 -15.538   2.447
  220   3HD1  LEU  30          HD1       LEU  30   2.687 -14.813   3.103
  221   1HD2  LEU  30          HD2       LEU  30   2.651 -12.992   0.695
  222   2HD2  LEU  30          HD2       LEU  30   1.673 -14.464   0.482
  223   3HD2  LEU  30          HD2       LEU  30   0.933 -12.862   0.248
  224    H    ALA  31           H        ALA  31  -3.455 -12.443   1.059
  225    HA   ALA  31           HA       ALA  31  -4.852 -13.565   3.207
  226   1HB   ALA  31          HB1       ALA  31  -5.676 -12.214   0.616
  227   2HB   ALA  31          HB2       ALA  31  -6.856 -12.727   1.846
  228   3HB   ALA  31          HB3       ALA  31  -5.616 -11.517   2.253
  229   1HN   AIB  32          1HN       AIB  32  -6.330 -14.070   0.052
  230   1HB1  AIB  32          1HB1      AIB  32  -4.968 -16.602  -1.556
  231   2HB1  AIB  32          2HB1      AIB  32  -5.608 -18.077  -0.784
  232   3HB1  AIB  32          3HB1      AIB  32  -4.513 -17.016   0.121
  233   1HB2  AIB  32          1HB2      AIB  32  -8.090 -16.781  -1.591
  234   2HB2  AIB  32          2HB2      AIB  32  -7.027 -15.477  -2.147
  235   3HB2  AIB  32          3HB2      AIB  32  -8.279 -15.136  -0.922
  236    H    ARG  33           H        ARG  33  -7.851 -15.298   2.013
  237    HA   ARG  33           HA       ARG  33  -8.990 -17.872   2.539
  238   1HB   ARG  33          HB1       ARG  33  -6.678 -16.853   4.020
  239   2HB   ARG  33          HB2       ARG  33  -8.048 -17.033   5.098
  240   1HG   ARG  33          HG1       ARG  33  -7.650 -19.308   3.211
  241   2HG   ARG  33          HG2       ARG  33  -6.352 -19.087   4.368
  242   1HD   ARG  33          HD1       ARG  33  -7.740 -20.397   5.680
  243   2HD   ARG  33          HD2       ARG  33  -8.421 -18.835   6.088
  244    HE   ARG  33           HE       ARG  33  -9.876 -19.506   3.863
  245   1HH1  ARG  33          HH1       ARG  33 -12.099 -21.915   5.060
  246   2HH1  ARG  33          HH1       ARG  33 -11.796 -20.744   3.820
  247   1HH2  ARG  33          HH2       ARG  33 -10.555 -22.225   6.765
  248   2HH2  ARG  33          HH2       ARG  33  -9.099 -21.287   6.797
  249    H    GLN  34           H        GLN  34  -8.376 -14.514   3.785
  250    HA   GLN  34           HA       GLN  34 -11.014 -14.492   4.937
  251   1HB   GLN  34          HB1       GLN  34  -8.605 -12.668   5.051
  252   2HB   GLN  34          HB2       GLN  34 -10.173 -12.044   5.521
  253   1HG   GLN  34          HG1       GLN  34  -9.162 -14.673   6.659
  254   2HG   GLN  34          HG2       GLN  34  -8.642 -13.150   7.351
  255   1HE2  GLN  34          1HE2      GLN  34  -9.804 -14.417   9.145
  256   2HE2  GLN  34          2HE2      GLN  34 -11.470 -14.025   9.412
  257    H    ARG  35           H        ARG  35  -9.343 -13.525   2.025
  258    HA   ARG  35           HA       ARG  35 -11.465 -11.664   1.388
  259   1HB   ARG  35          HB1       ARG  35  -8.652 -12.101   0.466
  260   2HB   ARG  35          HB2       ARG  35  -9.770 -11.615  -0.792
  261   1HG   ARG  35          HG1       ARG  35  -9.224 -10.137   1.823
  262   2HG   ARG  35          HG2       ARG  35  -8.766  -9.615   0.214
  263   1HD   ARG  35          HD1       ARG  35 -11.483  -9.969  -0.124
  264   2HD   ARG  35          HD2       ARG  35 -11.428  -9.489   1.560
  265    HE   ARG  35           HE       ARG  35 -10.950  -7.325   0.849
  266   1HH1  ARG  35          HH1       ARG  35  -9.583  -6.094  -2.116
  267   2HH1  ARG  35          HH1       ARG  35 -10.274  -5.678  -0.583
  268   1HH2  ARG  35          HH2       ARG  35  -9.345  -8.323  -2.715
  269   2HH2  ARG  35          HH2       ARG  35  -9.857  -9.571  -1.629
  270    H    TYR  36           H        TYR  36 -12.002 -14.550   1.545
  271    HA   TYR  36           HA       TYR  36 -13.159 -14.888  -1.051
  272   1HB   TYR  36          HB1       TYR  36 -11.240 -16.028  -1.780
  273   2HB   TYR  36          HB2       TYR  36 -10.611 -16.161  -0.150
  274    HD1  TYR  36           HD1      TYR  36 -10.556 -18.249   0.898
  275    HD2  TYR  36           HD2      TYR  36 -13.237 -17.636  -2.379
  276    HE1  TYR  36           HE1      TYR  36 -11.161 -20.718   0.923
  277    HE2  TYR  36           HE2      TYR  36 -13.834 -20.107  -2.343
  278    HH   TYR  36           HH       TYR  36 -12.444 -22.261   0.114
  279   1HN   NH2  37          HN1       NH2 237 -12.163 -16.513   1.964
  280   2HN   NH2  37          HN2       NH2 237 -13.692 -17.250   2.311
  Start of MODEL   21
    1    H    TYR   1           H        TYR   1  13.181   5.623   7.144
    2    HA   TYR   1           HA       TYR   1  13.330   8.391   7.474
    3   1HB   TYR   1          HB1       TYR   1  12.036   7.500   4.844
    4   2HB   TYR   1          HB2       TYR   1  12.498   9.128   5.300
    5    HD1  TYR   1           HD1      TYR   1  13.381   6.360   3.332
    6    HD2  TYR   1           HD2      TYR   1  15.126   9.442   5.732
    7    HE1  TYR   1           HE1      TYR   1  15.584   6.089   2.092
    8    HE2  TYR   1           HE2      TYR   1  17.323   9.160   4.484
    9    HH   TYR   1           HH       TYR   1  17.863   6.502   2.365
   10    HA   PRO   2           HA       PRO   2   9.530   6.454   8.850
   11   1HB   PRO   2          HB1       PRO   2   9.526   7.508  11.372
   12   2HB   PRO   2          HB2       PRO   2  10.232   5.952  10.985
   13   1HG   PRO   2          HG1       PRO   2  11.592   8.515  11.548
   14   2HG   PRO   2          HG2       PRO   2  12.252   6.892  11.581
   15   1HD   PRO   2          HD1       PRO   2  12.627   8.856   9.524
   16   2HD   PRO   2          HD2       PRO   2  13.189   7.196   9.504
   17    H    SER   3           H        SER   3  10.602   9.616   8.430
   18    HA   SER   3           HA       SER   3   9.586  11.520   8.160
   19   1HB   SER   3          HB1       SER   3   8.259   9.633   6.567
   20   2HB   SER   3          HB2       SER   3   6.945  10.496   7.342
   21    HG   SER   3           HG       SER   3   7.321  11.821   5.655
   22    H    LYS   4           H        LYS   4   6.826  12.354   8.382
   23    HA   LYS   4           HA       LYS   4   6.216  11.676  11.168
   24   1HB   LYS   4          HB1       LYS   4   5.876  14.492  10.188
   25   2HB   LYS   4          HB2       LYS   4   6.049  13.893  11.826
   26   1HG   LYS   4          HG1       LYS   4   8.432  13.298  11.363
   27   2HG   LYS   4          HG2       LYS   4   8.262  13.879   9.718
   28   1HD   LYS   4          HD1       LYS   4   7.338  15.921  11.588
   29   2HD   LYS   4          HD2       LYS   4   8.951  15.400  12.029
   30   1HE   LYS   4          HE1       LYS   4   8.336  16.001   9.123
   31   2HE   LYS   4          HE2       LYS   4   8.615  17.330  10.231
   32   1HZ   LYS   4          HZ1       LYS   4  10.510  15.149  10.308
   33   2HZ   LYS   4          HZ2       LYS   4  10.557  16.119   8.995
   34   3HZ   LYS   4          HZ3       LYS   4  10.761  16.753  10.486
   35    HA   PRO   5           HA       PRO   5   2.158  11.326   9.743
   36   1HB   PRO   5          HB1       PRO   5   0.657  12.067  11.903
   37   2HB   PRO   5          HB2       PRO   5   1.413  10.493  11.757
   38   1HG   PRO   5          HG1       PRO   5   2.220  12.788  13.436
   39   2HG   PRO   5          HG2       PRO   5   2.684  11.105  13.582
   40   1HD   PRO   5          HD1       PRO   5   4.277  13.238  12.513
   41   2HD   PRO   5          HD2       PRO   5   4.694  11.537  12.553
   42    H    ASP   6           H        ASP   6   2.291  12.816   8.008
   43    HA   ASP   6           HA       ASP   6   0.367  14.854   8.386
   44   1HB   ASP   6          HB1       ASP   6   3.281  15.489   8.401
   45   2HB   ASP   6          HB2       ASP   6   2.338  16.455   7.283
   46    H    ASN   7           H        ASN   7  -0.523  15.400   6.314
   47    HA   ASN   7           HA       ASN   7   0.964  14.368   4.034
   48   1HB   ASN   7          HB1       ASN   7  -1.309  13.739   3.040
   49   2HB   ASN   7          HB2       ASN   7  -0.823  12.763   4.412
   50   1HD2  ASN   7          HD2       ASN   7  -3.398  12.770   3.783
   51   2HD2  ASN   7          HD2       ASN   7  -4.359  13.668   4.911
   52    HA   PRO   8           HA       PRO   8  -0.286  18.686   3.366
   53   1HB   PRO   8          HB1       PRO   8   2.077  19.570   2.315
   54   2HB   PRO   8          HB2       PRO   8   1.690  19.671   4.021
   55   1HG   PRO   8          HG1       PRO   8   3.518  17.802   2.642
   56   2HG   PRO   8          HG2       PRO   8   3.437  18.201   4.347
   57   1HD   PRO   8          HD1       PRO   8   2.453  15.816   3.095
   58   2HD   PRO   8          HD2       PRO   8   2.269  16.268   4.778
   59    H    GLY   9           H        GLY   9   1.981  17.293   1.031
   60   1HA   GLY   9          HA1       GLY   9  -0.121  17.107  -0.940
   61   2HA   GLY   9          HA2       GLY   9   1.028  18.395  -1.244
   62    H    GLU  10           H        GLU  10   3.488  17.561  -0.708
   63    HA   GLU  10           HA       GLU  10   5.143  16.413  -1.525
   64   1HB   GLU  10          HB1       GLU  10   3.645  13.809  -1.295
   65   2HB   GLU  10          HB2       GLU  10   5.302  14.173  -0.859
   66   1HG   GLU  10          HG1       GLU  10   4.378  15.673   1.007
   67   2HG   GLU  10          HG2       GLU  10   2.787  15.039   0.636
   68    H    ASP  11           H        ASP  11   4.328  17.527  -3.636
   69    HA   ASP  11           HA       ASP  11   4.013  17.475  -5.781
   70   1HB   ASP  11          HB1       ASP  11   5.466  14.975  -5.189
   71   2HB   ASP  11          HB2       ASP  11   4.530  14.852  -6.666
   72    H    ALA  12           H        ALA  12   2.766  16.191  -7.680
   73    HA   ALA  12           HA       ALA  12   0.164  15.990  -7.163
   74   1HB   ALA  12          HB1       ALA  12   2.013  14.925  -9.189
   75   2HB   ALA  12          HB2       ALA  12   0.517  13.973  -9.035
   76   3HB   ALA  12          HB3       ALA  12   0.430  15.715  -9.391
   77    HA   PRO  13           HA       PRO  13   0.244  12.544  -4.370
   78   1HB   PRO  13          HB1       PRO  13  -1.986  13.246  -2.955
   79   2HB   PRO  13          HB2       PRO  13  -0.371  13.775  -2.525
   80   1HG   PRO  13          HG1       PRO  13  -2.546  15.314  -3.806
   81   2HG   PRO  13          HG2       PRO  13  -1.112  15.909  -2.993
   82   1HD   PRO  13          HD1       PRO  13  -1.551  15.780  -5.825
   83   2HD   PRO  13          HD2       PRO  13  -0.075  16.266  -5.014
   84    H    ALA  14           H        ALA  14  -0.072  10.838  -5.730
   85    HA   ALA  14           HA       ALA  14  -2.554   9.659  -5.686
   86   1HB   ALA  14          HB1       ALA  14  -2.587  11.861  -7.432
   87   2HB   ALA  14          HB2       ALA  14  -2.404  10.442  -8.492
   88   3HB   ALA  14          HB3       ALA  14  -3.775  10.537  -7.361
   89    H    GLU  15           H        GLU  15   0.402  10.347  -7.624
   90    HA   GLU  15           HA       GLU  15   0.438   7.700  -8.660
   91   1HB   GLU  15          HB1       GLU  15   1.348   9.710  -9.876
   92   2HB   GLU  15          HB2       GLU  15   2.624   9.828  -8.682
   93   1HG   GLU  15          HG1       GLU  15   3.488   8.614 -10.615
   94   2HG   GLU  15          HG2       GLU  15   3.367   7.498  -9.270
   95    H    ASP  16           H        ASP  16   1.352   9.215  -5.700
   96    HA   ASP  16           HA       ASP  16   3.529   7.448  -5.180
   97   1HB   ASP  16          HB1       ASP  16   2.157   9.725  -3.820
   98   2HB   ASP  16          HB2       ASP  16   2.836   8.528  -2.734
   99    H    LEU  17           H        LEU  17   0.095   7.969  -4.139
  100    HA   LEU  17           HA       LEU  17   0.021   5.918  -2.240
  101   1HB   LEU  17          HB1       LEU  17  -1.616   7.936  -3.010
  102   2HB   LEU  17          HB2       LEU  17  -2.454   6.568  -3.714
  103    HG   LEU  17           HG       LEU  17  -1.798   5.789  -1.079
  104   1HD1  LEU  17          HD1       LEU  17  -3.137   7.675   0.108
  105   2HD1  LEU  17          HD1       LEU  17  -1.402   7.901  -0.219
  106   3HD1  LEU  17          HD1       LEU  17  -2.613   8.675  -1.268
  107   1HD2  LEU  17          HD2       LEU  17  -4.419   6.696  -2.300
  108   2HD2  LEU  17          HD2       LEU  17  -3.750   5.046  -2.305
  109   3HD2  LEU  17          HD2       LEU  17  -4.247   5.800  -0.771
  110    H    ALA  18           H        ALA  18   0.306   5.842  -5.673
  111    HA   ALA  18           HA       ALA  18  -1.154   3.494  -6.198
  112   1HB   ALA  18          HB1       ALA  18  -0.674   4.341  -8.228
  113   2HB   ALA  18          HB2       ALA  18   0.638   5.346  -7.567
  114   3HB   ALA  18          HB3       ALA  18   0.960   3.661  -8.040
  115    H    ARG  19           H        ARG  19   2.285   4.157  -5.307
  116    HA   ARG  19           HA       ARG  19   3.187   1.591  -5.615
  117   1HB   ARG  19          HB1       ARG  19   4.039   3.781  -3.659
  118   2HB   ARG  19          HB2       ARG  19   4.950   2.301  -3.883
  119   1HG   ARG  19          HG1       ARG  19   4.402   3.366  -6.500
  120   2HG   ARG  19          HG2       ARG  19   4.975   4.694  -5.511
  121   1HD   ARG  19          HD1       ARG  19   6.442   2.038  -5.448
  122   2HD   ARG  19          HD2       ARG  19   6.721   3.151  -6.773
  123    HE   ARG  19           HE       ARG  19   6.970   4.753  -4.516
  124   1HH1  ARG  19          HH1       ARG  19  10.232   4.013  -3.523
  125   2HH1  ARG  19          HH1       ARG  19   8.936   5.157  -3.424
  126   1HH2  ARG  19          HH2       ARG  19   9.973   2.071  -4.767
  127   2HH2  ARG  19          HH2       ARG  19   8.483   1.765  -5.595
  128    H    TYR  20           H        TYR  20   1.051   2.987  -3.223
  129    HA   TYR  20           HA       TYR  20   1.545   0.836  -1.320
  130   1HB   TYR  20          HB1       TYR  20   1.225   2.958  -0.259
  131   2HB   TYR  20          HB2       TYR  20   0.133   3.518  -1.510
  132    HD1  TYR  20           HD1      TYR  20   0.384   2.147   1.784
  133    HD2  TYR  20           HD2      TYR  20  -2.236   2.471  -1.583
  134    HE1  TYR  20           HE1      TYR  20  -1.607   1.613   3.272
  135    HE2  TYR  20           HE2      TYR  20  -4.218   1.936  -0.083
  136    HH   TYR  20           HH       TYR  20  -3.907   1.864   3.356
  137    H    TYR  21           H        TYR  21  -0.402   1.504  -4.069
  138    HA   TYR  21           HA       TYR  21  -2.584  -0.177  -3.082
  139   1HB   TYR  21          HB1       TYR  21  -2.118   2.058  -4.963
  140   2HB   TYR  21          HB2       TYR  21  -2.913   0.737  -5.796
  141    HD1  TYR  21           HD1      TYR  21  -5.164  -0.038  -5.061
  142    HD2  TYR  21           HD2      TYR  21  -3.282   3.385  -3.317
  143    HE1  TYR  21           HE1      TYR  21  -7.398   0.714  -4.109
  144    HE2  TYR  21           HE2      TYR  21  -5.522   4.126  -2.371
  145    HH   TYR  21           HH       TYR  21  -7.642   3.062  -1.726
  146    H    SER  22           H        SER  22   0.181  -0.096  -5.302
  147    HA   SER  22           HA       SER  22  -0.748  -2.358  -6.763
  148   1HB   SER  22          HB1       SER  22   1.012  -0.333  -7.319
  149   2HB   SER  22          HB2       SER  22   2.139  -1.597  -6.868
  150    HG   SER  22           HG       SER  22   1.202  -2.981  -8.478
  151    H    ALA  23           H        ALA  23   1.407  -1.643  -4.004
  152    HA   ALA  23           HA       ALA  23   2.480  -4.312  -3.949
  153   1HB   ALA  23          HB1       ALA  23   4.084  -3.136  -2.901
  154   2HB   ALA  23          HB2       ALA  23   3.021  -1.715  -2.765
  155   3HB   ALA  23          HB3       ALA  23   2.984  -2.978  -1.510
  156    H    LEU  24           H        LEU  24  -0.316  -2.573  -2.740
  157    HA   LEU  24           HA       LEU  24  -0.813  -4.117  -0.458
  158   1HB   LEU  24          HB1       LEU  24  -2.347  -2.561  -0.232
  159   2HB   LEU  24          HB2       LEU  24  -1.977  -1.958  -1.836
  160    HG   LEU  24           HG       LEU  24  -4.329  -2.320  -1.706
  161   1HD1  LEU  24          HD1       LEU  24  -2.674  -3.689  -3.579
  162   2HD1  LEU  24          HD1       LEU  24  -4.107  -4.696  -3.261
  163   3HD1  LEU  24          HD1       LEU  24  -4.305  -3.014  -3.810
  164   1HD2  LEU  24          HD2       LEU  24  -5.241  -3.832  -0.369
  165   2HD2  LEU  24          HD2       LEU  24  -4.592  -5.144  -1.382
  166   3HD2  LEU  24          HD2       LEU  24  -3.630  -4.506  -0.027
  167    H    ARG  25           H        ARG  25  -0.775  -4.944  -3.785
  168    HA   ARG  25           HA       ARG  25  -2.833  -6.904  -3.551
  169   1HB   ARG  25          HB1       ARG  25  -1.927  -5.534  -5.683
  170   2HB   ARG  25          HB2       ARG  25  -0.824  -6.889  -5.813
  171   1HG   ARG  25          HG1       ARG  25  -2.464  -8.078  -6.828
  172   2HG   ARG  25          HG2       ARG  25  -3.369  -8.056  -5.328
  173   1HD   ARG  25          HD1       ARG  25  -4.273  -5.754  -6.022
  174   2HD   ARG  25          HD2       ARG  25  -3.525  -6.007  -7.586
  175    HE   ARG  25           HE       ARG  25  -5.921  -7.345  -6.558
  176   1HH1  ARG  25          HH1       ARG  25  -6.286  -9.295  -9.429
  177   2HH1  ARG  25          HH1       ARG  25  -7.043  -8.748  -7.970
  178   1HH2  ARG  25          HH2       ARG  25  -4.133  -8.602  -9.949
  179   2HH2  ARG  25          HH2       ARG  25  -3.283  -7.538  -8.879
  180    H    HIS  26           H        HIS  26   0.742  -6.954  -4.277
  181    HA   HIS  26           HA       HIS  26   1.021  -9.697  -4.021
  182   1HB   HIS  26          HB1       HIS  26   2.613  -7.622  -4.784
  183   2HB   HIS  26          HB2       HIS  26   3.327  -8.014  -3.232
  184    HD1  HIS  26           HD1      HIS  26   3.159 -11.082  -3.216
  185    HD2  HIS  26           HD2      HIS  26   4.286  -8.835  -6.574
  186    HE1  HIS  26           HE1      HIS  26   4.523 -12.648  -4.699
  187    H    TYR  27           H        TYR  27   0.584  -7.179  -1.627
  188    HA   TYR  27           HA       TYR  27   1.717  -8.736   0.518
  189   1HB   TYR  27          HB1       TYR  27   1.862  -6.378   0.843
  190   2HB   TYR  27          HB2       TYR  27   0.369  -6.077  -0.024
  191    HD1  TYR  27           HD1      TYR  27   1.116  -8.195   2.987
  192    HD2  TYR  27           HD2      TYR  27  -1.064  -4.889   1.366
  193    HE1  TYR  27           HE1      TYR  27  -0.115  -7.916   5.194
  194    HE2  TYR  27           HE2      TYR  27  -2.288  -4.621   3.579
  195    HH   TYR  27           HH       TYR  27  -2.875  -5.951   5.481
  196    H    ILE  28           H        ILE  28  -1.545  -7.832  -0.736
  197    HA   ILE  28           HA       ILE  28  -2.821  -9.297   1.393
  198    HB   ILE  28           HB       ILE  28  -3.825  -7.768  -1.002
  199   1HG1  ILE  28          1HG1      ILE  28  -2.918  -6.394   0.793
  200   2HG1  ILE  28          2HG1      ILE  28  -4.656  -6.198   0.675
  201   1HG2  ILE  28          1HG2      ILE  28  -5.243  -9.664   0.788
  202   2HG2  ILE  28          2HG2      ILE  28  -6.054  -8.114   0.458
  203   3HG2  ILE  28          3HG2      ILE  28  -5.588  -9.180  -0.890
  204   1HD1  ILE  28          1HD1      ILE  28  -4.375  -6.463   2.986
  205   2HD1  ILE  28          2HD1      ILE  28  -4.728  -8.134   2.486
  206   3HD1  ILE  28          3HD1      ILE  28  -3.048  -7.633   2.793
  207    H    ASN  29           H        ASN  29  -1.210 -10.100  -1.462
  208    HA   ASN  29           HA       ASN  29  -2.898 -11.920  -2.630
  209   1HB   ASN  29          HB1       ASN  29  -0.564 -11.053  -3.402
  210   2HB   ASN  29          HB2       ASN  29   0.124 -12.289  -2.368
  211   1HD2  ASN  29          HD2       ASN  29   0.934 -12.724  -4.676
  212   2HD2  ASN  29          HD2       ASN  29   0.061 -13.908  -5.591
  213    H    LEU  30           H        LEU  30  -1.339 -11.920   0.468
  214    HA   LEU  30           HA       LEU  30  -1.414 -14.833   0.666
  215   1HB   LEU  30          HB1       LEU  30   0.554 -14.373   1.596
  216   2HB   LEU  30          HB2       LEU  30   0.159 -12.687   1.866
  217    HG   LEU  30           HG       LEU  30  -1.133 -13.346   3.895
  218   1HD1  LEU  30          HD1       LEU  30  -1.082 -15.884   2.837
  219   2HD1  LEU  30          HD1       LEU  30   0.128 -15.981   4.139
  220   3HD1  LEU  30          HD1       LEU  30  -1.534 -15.458   4.505
  221   1HD2  LEU  30          HD2       LEU  30   1.803 -13.717   3.574
  222   2HD2  LEU  30          HD2       LEU  30   0.887 -12.551   4.559
  223   3HD2  LEU  30          HD2       LEU  30   1.071 -14.233   5.113
  224    H    ALA  31           H        ALA  31  -3.245 -11.978   1.343
  225    HA   ALA  31           HA       ALA  31  -4.824 -13.468   3.324
  226   1HB   ALA  31          HB1       ALA  31  -5.033 -10.493   2.913
  227   2HB   ALA  31          HB2       ALA  31  -5.298 -11.456   4.386
  228   3HB   ALA  31          HB3       ALA  31  -3.642 -11.150   3.808
  229   1HN   AIB  32          1HN       AIB  32  -5.326 -14.377   0.873
  230   1HB1  AIB  32          1HB1      AIB  32  -7.462 -15.782  -0.885
  231   2HB1  AIB  32          2HB1      AIB  32  -5.762 -15.268  -1.047
  232   3HB1  AIB  32          3HB1      AIB  32  -6.978 -14.646  -2.176
  233   1HB2  AIB  32          1HB2      AIB  32  -7.657 -12.552  -1.923
  234   2HB2  AIB  32          2HB2      AIB  32  -6.296 -11.886  -1.006
  235   3HB2  AIB  32          3HB2      AIB  32  -7.951 -11.757  -0.352
  236    H    ARG  33           H        ARG  33  -7.545 -15.544   1.750
  237    HA   ARG  33           HA       ARG  33 -10.114 -16.020   1.626
  238   1HB   ARG  33          HB1       ARG  33  -8.119 -15.968   3.769
  239   2HB   ARG  33          HB2       ARG  33  -9.703 -15.590   4.417
  240   1HG   ARG  33          HG1       ARG  33  -9.536 -17.891   2.486
  241   2HG   ARG  33          HG2       ARG  33  -8.834 -18.137   4.073
  242   1HD   ARG  33          HD1       ARG  33 -10.914 -18.528   4.894
  243   2HD   ARG  33          HD2       ARG  33 -11.336 -16.862   4.552
  244    HE   ARG  33           HE       ARG  33 -12.437 -17.543   2.570
  245   1HH1  ARG  33          HH1       ARG  33 -12.992 -20.783   1.398
  246   2HH1  ARG  33          HH1       ARG  33 -13.424 -19.114   1.236
  247   1HH2  ARG  33          HH2       ARG  33 -11.410 -21.424   2.971
  248   2HH2  ARG  33          HH2       ARG  33 -10.662 -20.233   3.982
  249    H    GLN  34           H        GLN  34  -8.635 -12.962   2.679
  250    HA   GLN  34           HA       GLN  34 -10.511 -11.772   4.130
  251   1HB   GLN  34          HB1       GLN  34  -8.832 -10.654   1.857
  252   2HB   GLN  34          HB2       GLN  34  -9.841  -9.616   2.845
  253   1HG   GLN  34          HG1       GLN  34  -8.122 -11.510   4.381
  254   2HG   GLN  34          HG2       GLN  34  -7.243 -10.306   3.461
  255   1HE2  GLN  34          1HE2      GLN  34  -8.695 -10.978   6.337
  256   2HE2  GLN  34          2HE2      GLN  34  -8.961  -9.383   6.961
  257    H    ARG  35           H        ARG  35 -10.442 -11.400   0.505
  258    HA   ARG  35           HA       ARG  35 -13.343 -11.210   0.675
  259   1HB   ARG  35          HB1       ARG  35 -11.372  -9.454  -0.549
  260   2HB   ARG  35          HB2       ARG  35 -12.416 -10.091  -1.804
  261   1HG   ARG  35          HG1       ARG  35 -14.253  -9.471   0.186
  262   2HG   ARG  35          HG2       ARG  35 -13.053  -8.213   0.410
  263   1HD   ARG  35          HD1       ARG  35 -13.455  -8.451  -2.420
  264   2HD   ARG  35          HD2       ARG  35 -15.048  -8.465  -1.691
  265    HE   ARG  35           HE       ARG  35 -13.788  -6.393  -0.363
  266   1HH1  ARG  35          HH1       ARG  35 -13.980  -3.814  -2.706
  267   2HH1  ARG  35          HH1       ARG  35 -13.783  -4.208  -1.031
  268   1HH2  ARG  35          HH2       ARG  35 -14.250  -5.506  -4.272
  269   2HH2  ARG  35          HH2       ARG  35 -14.254  -7.162  -3.765
  270    H    TYR  36           H        TYR  36 -11.315 -13.536   0.231
  271    HA   TYR  36           HA       TYR  36 -12.813 -14.788  -1.865
  272   1HB   TYR  36          HB1       TYR  36  -9.769 -14.538  -2.131
  273   2HB   TYR  36          HB2       TYR  36 -10.900 -15.045  -3.370
  274    HD1  TYR  36           HD1      TYR  36  -9.725 -12.097  -1.427
  275    HD2  TYR  36           HD2      TYR  36 -11.885 -13.469  -4.856
  276    HE1  TYR  36           HE1      TYR  36  -9.798  -9.725  -2.340
  277    HE2  TYR  36           HE2      TYR  36 -11.950 -11.093  -5.757
  278    HH   TYR  36           HH       TYR  36 -11.676  -8.953  -5.206
  279   1HN   NH2  37          HN1       NH2 237 -13.225 -15.949   0.158
  280   2HN   NH2  37          HN2       NH2 237 -12.128 -17.190   0.663
  Start of MODEL   22
    1    H    TYR   1           H        TYR   1 -12.408  -8.418 -11.692
    2    HA   TYR   1           HA       TYR   1 -10.185  -8.961 -13.418
    3   1HB   TYR   1          HB1       TYR   1 -13.145  -8.662 -14.146
    4   2HB   TYR   1          HB2       TYR   1 -11.991  -9.787 -14.836
    5    HD1  TYR   1           HD1      TYR   1 -11.171 -11.732 -13.393
    6    HD2  TYR   1           HD2      TYR   1 -14.510  -9.286 -12.312
    7    HE1  TYR   1           HE1      TYR   1 -11.983 -13.534 -11.795
    8    HE2  TYR   1           HE2      TYR   1 -15.311 -11.096 -10.717
    9    HH   TYR   1           HH       TYR   1 -14.044 -13.022  -9.400
   10    HA   PRO   2           HA       PRO   2 -10.735  -4.590 -14.546
   11   1HB   PRO   2          HB1       PRO   2  -8.152  -3.769 -14.198
   12   2HB   PRO   2          HB2       PRO   2  -9.390  -3.585 -12.971
   13   1HG   PRO   2          HG1       PRO   2  -7.164  -5.527 -13.081
   14   2HG   PRO   2          HG2       PRO   2  -8.134  -5.046 -11.703
   15   1HD   PRO   2          HD1       PRO   2  -8.364  -7.484 -13.197
   16   2HD   PRO   2          HD2       PRO   2  -9.407  -6.950 -11.894
   17    H    SER   3           H        SER   3  -9.708  -3.261 -16.325
   18    HA   SER   3           HA       SER   3  -7.890  -4.434 -17.997
   19   1HB   SER   3          HB1       SER   3  -9.441  -5.143 -19.895
   20   2HB   SER   3          HB2       SER   3  -9.391  -6.225 -18.518
   21    HG   SER   3           HG       SER   3 -11.359  -4.153 -18.521
   22    H    LYS   4           H        LYS   4  -8.306  -1.876 -17.022
   23    HA   LYS   4           HA       LYS   4  -9.112  -0.448 -19.455
   24   1HB   LYS   4          HB1       LYS   4  -9.567   0.790 -16.763
   25   2HB   LYS   4          HB2       LYS   4 -10.353   1.120 -18.293
   26   1HG   LYS   4          HG1       LYS   4 -11.539  -1.047 -18.201
   27   2HG   LYS   4          HG2       LYS   4 -10.679  -1.490 -16.740
   28   1HD   LYS   4          HD1       LYS   4 -11.873   0.023 -15.400
   29   2HD   LYS   4          HD2       LYS   4 -12.214   1.107 -16.734
   30   1HE   LYS   4          HE1       LYS   4 -13.707  -0.778 -17.701
   31   2HE   LYS   4          HE2       LYS   4 -13.532  -1.580 -16.153
   32   1HZ   LYS   4          HZ1       LYS   4 -14.738   0.010 -15.117
   33   2HZ   LYS   4          HZ2       LYS   4 -14.323   1.209 -16.146
   34   3HZ   LYS   4          HZ3       LYS   4 -15.439   0.102 -16.589
   35    HA   PRO   5           HA       PRO   5  -4.873   0.582 -18.385
   36   1HB   PRO   5          HB1       PRO   5  -3.825   0.337 -20.897
   37   2HB   PRO   5          HB2       PRO   5  -3.824  -0.968 -19.727
   38   1HG   PRO   5          HG1       PRO   5  -5.535  -0.619 -22.113
   39   2HG   PRO   5          HG2       PRO   5  -5.221  -2.076 -21.191
   40   1HD   PRO   5          HD1       PRO   5  -7.590  -0.461 -21.095
   41   2HD   PRO   5          HD2       PRO   5  -7.227  -1.851 -20.091
   42    H    ASP   6           H        ASP   6  -3.714   2.510 -18.524
   43    HA   ASP   6           HA       ASP   6  -4.858   4.364 -20.430
   44   1HB   ASP   6          HB1       ASP   6  -5.094   6.116 -18.735
   45   2HB   ASP   6          HB2       ASP   6  -6.036   4.719 -18.255
   46    H    ASN   7           H        ASN   7  -3.414   6.555 -20.227
   47    HA   ASN   7           HA       ASN   7  -0.699   5.618 -20.325
   48   1HB   ASN   7          HB1       ASN   7  -0.232   7.826 -21.367
   49   2HB   ASN   7          HB2       ASN   7  -1.595   7.060 -22.160
   50   1HD2  ASN   7          HD2       ASN   7  -0.484   9.888 -21.044
   51   2HD2  ASN   7          HD2       ASN   7  -1.951  10.728 -20.665
   52    HA   PRO   8           HA       PRO   8   0.259   7.538 -16.497
   53   1HB   PRO   8          HB1       PRO   8   2.972   7.791 -16.700
   54   2HB   PRO   8          HB2       PRO   8   2.180   6.291 -16.258
   55   1HG   PRO   8          HG1       PRO   8   3.435   7.037 -18.828
   56   2HG   PRO   8          HG2       PRO   8   3.028   5.442 -18.227
   57   1HD   PRO   8          HD1       PRO   8   1.591   6.952 -20.198
   58   2HD   PRO   8          HD2       PRO   8   1.122   5.409 -19.512
   59    H    GLY   9           H        GLY   9   0.195   9.494 -15.516
   60   1HA   GLY   9          HA1       GLY   9   1.366  11.721 -15.703
   61   2HA   GLY   9          HA2       GLY   9   0.783  11.732 -17.355
   62    H    GLU  10           H        GLU  10  -0.399  11.319 -13.946
   63    HA   GLU  10           HA       GLU  10  -2.580  13.081 -14.634
   64   1HB   GLU  10          HB1       GLU  10  -3.995  11.309 -14.841
   65   2HB   GLU  10          HB2       GLU  10  -2.863  10.194 -14.102
   66   1HG   GLU  10          HG1       GLU  10  -3.634  10.624 -11.924
   67   2HG   GLU  10          HG2       GLU  10  -4.203  12.233 -12.324
   68    H    ASP  11           H        ASP  11  -1.631  14.677 -13.292
   69    HA   ASP  11           HA       ASP  11  -0.424  14.360 -10.939
   70   1HB   ASP  11          HB1       ASP  11  -1.474  16.492 -12.392
   71   2HB   ASP  11          HB2       ASP  11  -2.400  16.580 -10.907
   72    H    ALA  12           H        ALA  12  -1.121  13.133  -9.176
   73    HA   ALA  12           HA       ALA  12  -3.419  13.840  -7.745
   74   1HB   ALA  12          HB1       ALA  12  -3.772  11.091  -8.900
   75   2HB   ALA  12          HB2       ALA  12  -4.992  12.237  -8.293
   76   3HB   ALA  12          HB3       ALA  12  -4.249  12.491  -9.891
   77    HA   PRO  13           HA       PRO  13  -1.239  11.498  -4.836
   78   1HB   PRO  13          HB1       PRO  13  -3.159  10.662  -3.080
   79   2HB   PRO  13          HB2       PRO  13  -2.504  12.287  -3.081
   80   1HG   PRO  13          HG1       PRO  13  -5.131  11.347  -4.057
   81   2HG   PRO  13          HG2       PRO  13  -4.627  12.978  -3.659
   82   1HD   PRO  13          HD1       PRO  13  -4.923  11.867  -6.287
   83   2HD   PRO  13          HD2       PRO  13  -4.309  13.459  -5.884
   84    H    ALA  14           H        ALA  14  -3.496   9.958  -6.790
   85    HA   ALA  14           HA       ALA  14  -3.078   7.337  -5.757
   86   1HB   ALA  14          HB1       ALA  14  -4.680   8.680  -7.772
   87   2HB   ALA  14          HB2       ALA  14  -3.945   7.205  -8.445
   88   3HB   ALA  14          HB3       ALA  14  -4.950   7.109  -6.979
   89    H    GLU  15           H        GLU  15  -1.210   9.550  -7.640
   90    HA   GLU  15           HA       GLU  15   0.111   7.552  -9.169
   91   1HB   GLU  15          HB1       GLU  15  -0.146   9.891  -9.971
   92   2HB   GLU  15          HB2       GLU  15   0.836  10.468  -8.639
   93   1HG   GLU  15          HG1       GLU  15   2.431   8.460  -9.776
   94   2HG   GLU  15          HG2       GLU  15   1.673   9.199 -11.173
   95    H    ASP  16           H        ASP  16   0.427   8.997  -5.976
   96    HA   ASP  16           HA       ASP  16   3.122   7.967  -5.747
   97   1HB   ASP  16          HB1       ASP  16   2.704   9.042  -3.325
   98   2HB   ASP  16          HB2       ASP  16   3.152  10.031  -4.701
   99    H    LEU  17           H        LEU  17  -0.178   7.828  -4.236
  100    HA   LEU  17           HA       LEU  17   0.492   5.865  -2.332
  101   1HB   LEU  17          HB1       LEU  17  -1.659   7.527  -2.900
  102   2HB   LEU  17          HB2       LEU  17  -2.297   5.917  -3.168
  103    HG   LEU  17           HG       LEU  17  -0.963   5.631  -0.764
  104   1HD1  LEU  17          HD1       LEU  17  -1.641   8.461  -1.126
  105   2HD1  LEU  17          HD1       LEU  17  -2.321   7.742   0.353
  106   3HD1  LEU  17          HD1       LEU  17  -0.568   7.673   0.055
  107   1HD2  LEU  17          HD2       LEU  17  -3.276   4.870  -1.562
  108   2HD2  LEU  17          HD2       LEU  17  -3.081   5.257   0.164
  109   3HD2  LEU  17          HD2       LEU  17  -3.869   6.423  -0.926
  110    H    ALA  18           H        ALA  18   0.222   5.751  -5.739
  111    HA   ALA  18           HA       ALA  18  -1.017   3.322  -6.184
  112   1HB   ALA  18          HB1       ALA  18   1.092   3.543  -8.039
  113   2HB   ALA  18          HB2       ALA  18  -0.575   4.134  -8.235
  114   3HB   ALA  18          HB3       ALA  18   0.683   5.218  -7.595
  115    H    ARG  19           H        ARG  19   2.456   4.075  -5.468
  116    HA   ARG  19           HA       ARG  19   3.357   1.500  -5.685
  117   1HB   ARG  19          HB1       ARG  19   5.338   2.276  -4.562
  118   2HB   ARG  19          HB2       ARG  19   4.709   3.676  -5.407
  119   1HG   ARG  19          HG1       ARG  19   3.502   4.332  -3.249
  120   2HG   ARG  19          HG2       ARG  19   4.354   3.029  -2.445
  121   1HD   ARG  19          HD1       ARG  19   6.535   4.133  -3.394
  122   2HD   ARG  19          HD2       ARG  19   5.532   5.534  -3.708
  123    HE   ARG  19           HE       ARG  19   6.337   4.506  -1.065
  124   1HH1  ARG  19          HH1       ARG  19   4.779   7.158   0.585
  125   2HH1  ARG  19          HH1       ARG  19   5.863   5.816   0.746
  126   1HH2  ARG  19          HH2       ARG  19   3.808   7.624  -1.471
  127   2HH2  ARG  19          HH2       ARG  19   4.168   6.631  -2.844
  128    H    TYR  20           H        TYR  20   1.406   3.055  -3.214
  129    HA   TYR  20           HA       TYR  20   2.016   1.015  -1.235
  130   1HB   TYR  20          HB1       TYR  20   1.720   3.195  -0.292
  131   2HB   TYR  20          HB2       TYR  20   0.549   3.660  -1.510
  132    HD1  TYR  20           HD1      TYR  20  -1.828   2.952  -1.304
  133    HD2  TYR  20           HD2      TYR  20   1.036   2.130   1.766
  134    HE1  TYR  20           HE1      TYR  20  -3.712   2.484   0.338
  135    HE2  TYR  20           HE2      TYR  20  -0.857   1.665   3.398
  136    HH   TYR  20           HH       TYR  20  -3.401   0.831   3.011
  137    H    TYR  21           H        TYR  21  -0.116   1.507  -3.892
  138    HA   TYR  21           HA       TYR  21  -2.188  -0.169  -2.681
  139   1HB   TYR  21          HB1       TYR  21  -1.908   1.992  -4.682
  140   2HB   TYR  21          HB2       TYR  21  -2.727   0.619  -5.400
  141    HD1  TYR  21           HD1      TYR  21  -4.706  -0.392  -3.921
  142    HD2  TYR  21           HD2      TYR  21  -3.180   3.589  -3.569
  143    HE1  TYR  21           HE1      TYR  21  -6.886   0.357  -2.846
  144    HE2  TYR  21           HE2      TYR  21  -5.364   4.324  -2.496
  145    HH   TYR  21           HH       TYR  21  -7.230   3.615  -1.551
  146    H    SER  22           H        SER  22   0.399  -0.119  -5.112
  147    HA   SER  22           HA       SER  22  -0.568  -2.430  -6.440
  148   1HB   SER  22          HB1       SER  22   0.950  -0.552  -7.382
  149   2HB   SER  22          HB2       SER  22   2.269  -1.338  -6.538
  150    HG   SER  22           HG       SER  22   2.316  -2.913  -8.004
  151    H    ALA  23           H        ALA  23   1.715  -1.661  -3.795
  152    HA   ALA  23           HA       ALA  23   2.763  -4.336  -3.706
  153   1HB   ALA  23          HB1       ALA  23   4.039  -2.230  -3.124
  154   2HB   ALA  23          HB2       ALA  23   3.013  -2.083  -1.677
  155   3HB   ALA  23          HB3       ALA  23   4.083  -3.493  -1.871
  156    H    LEU  24           H        LEU  24   0.072  -2.498  -2.355
  157    HA   LEU  24           HA       LEU  24  -0.344  -4.121  -0.087
  158   1HB   LEU  24          HB1       LEU  24  -1.594  -2.354   0.317
  159   2HB   LEU  24          HB2       LEU  24  -1.528  -1.839  -1.357
  160    HG   LEU  24           HG       LEU  24  -3.825  -2.069  -0.663
  161   1HD1  LEU  24          HD1       LEU  24  -2.678  -3.439  -2.883
  162   2HD1  LEU  24          HD1       LEU  24  -4.050  -4.400  -2.283
  163   3HD1  LEU  24          HD1       LEU  24  -4.288  -2.695  -2.736
  164   1HD2  LEU  24          HD2       LEU  24  -4.231  -4.840  -0.347
  165   2HD2  LEU  24          HD2       LEU  24  -2.854  -4.413   0.697
  166   3HD2  LEU  24          HD2       LEU  24  -4.405  -3.557   0.875
  167    H    ARG  25           H        ARG  25  -0.675  -4.692  -3.464
  168    HA   ARG  25           HA       ARG  25  -2.852  -6.505  -3.171
  169   1HB   ARG  25          HB1       ARG  25  -1.128  -5.488  -5.413
  170   2HB   ARG  25          HB2       ARG  25  -1.838  -7.072  -5.650
  171   1HG   ARG  25          HG1       ARG  25  -4.076  -5.903  -4.843
  172   2HG   ARG  25          HG2       ARG  25  -3.241  -4.416  -5.246
  173   1HD   ARG  25          HD1       ARG  25  -2.753  -5.451  -7.557
  174   2HD   ARG  25          HD2       ARG  25  -3.852  -6.745  -7.121
  175    HE   ARG  25           HE       ARG  25  -5.682  -5.254  -7.291
  176   1HH1  ARG  25          HH1       ARG  25  -5.683  -1.927  -8.344
  177   2HH1  ARG  25          HH1       ARG  25  -6.660  -3.316  -8.005
  178   1HH2  ARG  25          HH2       ARG  25  -3.380  -2.035  -8.075
  179   2HH2  ARG  25          HH2       ARG  25  -2.639  -3.504  -7.534
  180    H    HIS  26           H        HIS  26   0.628  -6.795  -4.231
  181    HA   HIS  26           HA       HIS  26   0.696  -9.558  -4.174
  182   1HB   HIS  26          HB1       HIS  26   2.412  -7.513  -4.861
  183   2HB   HIS  26          HB2       HIS  26   3.215  -8.211  -3.468
  184    HD1  HIS  26           HD1      HIS  26   4.414 -10.436  -3.782
  185    HD2  HIS  26           HD2      HIS  26   2.016  -9.384  -7.059
  186    HE1  HIS  26           HE1      HIS  26   4.963 -12.103  -5.634
  187    H    TYR  27           H        TYR  27   0.659  -7.200  -1.587
  188    HA   TYR  27           HA       TYR  27   1.825  -8.997   0.343
  189   1HB   TYR  27          HB1       TYR  27   2.194  -6.660   0.748
  190   2HB   TYR  27          HB2       TYR  27   0.614  -6.214   0.134
  191    HD1  TYR  27           HD1      TYR  27  -0.564  -5.092   1.788
  192    HD2  TYR  27           HD2      TYR  27   1.687  -8.568   2.860
  193    HE1  TYR  27           HE1      TYR  27  -1.439  -4.932   4.169
  194    HE2  TYR  27           HE2      TYR  27   0.804  -8.397   5.238
  195    HH   TYR  27           HH       TYR  27  -0.251  -7.119   6.676
  196    H    ILE  28           H        ILE  28  -1.437  -7.727  -0.546
  197    HA   ILE  28           HA       ILE  28  -2.658  -9.247   1.574
  198    HB   ILE  28           HB       ILE  28  -3.671  -7.410  -0.582
  199   1HG1  ILE  28          1HG1      ILE  28  -2.613  -6.312   1.297
  200   2HG1  ILE  28          2HG1      ILE  28  -4.341  -6.026   1.336
  201   1HG2  ILE  28          1HG2      ILE  28  -5.281  -9.112   1.333
  202   2HG2  ILE  28          2HG2      ILE  28  -5.923  -7.675   0.501
  203   3HG2  ILE  28          3HG2      ILE  28  -5.367  -9.077  -0.444
  204   1HD1  ILE  28          1HD1      ILE  28  -2.718  -7.920   3.074
  205   2HD1  ILE  28          2HD1      ILE  28  -3.768  -6.576   3.584
  206   3HD1  ILE  28          3HD1      ILE  28  -4.487  -8.067   2.932
  207    H    ASN  29           H        ASN  29  -1.385  -9.935  -1.485
  208    HA   ASN  29           HA       ASN  29  -3.295 -11.498  -2.644
  209   1HB   ASN  29          HB1       ASN  29  -1.162 -10.928  -3.756
  210   2HB   ASN  29          HB2       ASN  29  -0.252 -11.837  -2.566
  211   1HD2  ASN  29          HD2       ASN  29   0.592 -12.879  -4.501
  212   2HD2  ASN  29          HD2       ASN  29  -0.239 -14.238  -5.181
  213    H    LEU  30           H        LEU  30  -1.341 -11.974   0.247
  214    HA   LEU  30           HA       LEU  30  -1.608 -14.834   0.268
  215   1HB   LEU  30          HB1       LEU  30   0.223 -14.525   1.458
  216   2HB   LEU  30          HB2       LEU  30  -0.094 -12.811   1.647
  217    HG   LEU  30           HG       LEU  30  -1.658 -13.413   3.553
  218   1HD1  LEU  30          HD1       LEU  30  -0.355 -15.936   4.143
  219   2HD1  LEU  30          HD1       LEU  30  -2.085 -15.518   4.122
  220   3HD1  LEU  30          HD1       LEU  30  -1.270 -16.015   2.619
  221   1HD2  LEU  30          HD2       LEU  30   0.154 -12.565   4.547
  222   2HD2  LEU  30          HD2       LEU  30   0.578 -14.255   4.914
  223   3HD2  LEU  30          HD2       LEU  30   1.273 -13.453   3.484
  224    H    ALA  31           H        ALA  31  -3.577 -12.105   1.036
  225    HA   ALA  31           HA       ALA  31  -5.068 -13.506   3.084
  226   1HB   ALA  31          HB1       ALA  31  -5.447 -11.381   3.702
  227   2HB   ALA  31          HB2       ALA  31  -4.650 -10.782   2.227
  228   3HB   ALA  31          HB3       ALA  31  -6.393 -11.142   2.213
  229   1HN   AIB  32          1HN       AIB  32  -5.320 -15.282   1.259
  230   1HB1  AIB  32          1HB1      AIB  32  -5.456 -16.884  -0.098
  231   2HB1  AIB  32          2HB1      AIB  32  -6.205 -16.549  -1.681
  232   3HB1  AIB  32          3HB1      AIB  32  -7.061 -17.556  -0.501
  233   1HB2  AIB  32          1HB2      AIB  32  -7.858 -14.921  -1.997
  234   2HB2  AIB  32          2HB2      AIB  32  -6.698 -13.728  -1.389
  235   3HB2  AIB  32          3HB2      AIB  32  -8.344 -13.792  -0.702
  236    H    ARG  33           H        ARG  33  -7.122 -16.660   2.335
  237    HA   ARG  33           HA       ARG  33 -10.027 -16.467   2.350
  238   1HB   ARG  33          HB1       ARG  33  -8.634 -18.748   3.760
  239   2HB   ARG  33          HB2       ARG  33 -10.246 -18.700   3.077
  240   1HG   ARG  33          HG1       ARG  33  -7.688 -18.660   1.408
  241   2HG   ARG  33          HG2       ARG  33  -8.602 -20.113   1.760
  242   1HD   ARG  33          HD1       ARG  33  -9.925 -17.694   0.467
  243   2HD   ARG  33          HD2       ARG  33  -9.084 -18.892  -0.496
  244    HE   ARG  33           HE       ARG  33 -11.062 -20.002   1.386
  245   1HH1  ARG  33          HH1       ARG  33 -13.178 -20.977  -1.212
  246   2HH1  ARG  33          HH1       ARG  33 -12.847 -21.107   0.483
  247   1HH2  ARG  33          HH2       ARG  33 -11.809 -19.680  -2.566
  248   2HH2  ARG  33          HH2       ARG  33 -10.456 -18.842  -1.880
  249    H    GLN  34           H        GLN  34  -6.943 -16.667   4.200
  250    HA   GLN  34           HA       GLN  34  -7.897 -16.504   6.729
  251   1HB   GLN  34          HB1       GLN  34  -5.460 -16.676   5.816
  252   2HB   GLN  34          HB2       GLN  34  -5.467 -14.924   5.824
  253   1HG   GLN  34          HG1       GLN  34  -4.697 -15.238   7.977
  254   2HG   GLN  34          HG2       GLN  34  -6.412 -15.316   8.328
  255   1HE2  GLN  34          1HE2      GLN  34  -6.035 -16.597  10.129
  256   2HE2  GLN  34          2HE2      GLN  34  -5.651 -18.283  10.026
  257    H    ARG  35           H        ARG  35  -8.105 -14.134   4.181
  258    HA   ARG  35           HA       ARG  35  -8.439 -11.966   6.022
  259   1HB   ARG  35          HB1       ARG  35  -7.616 -12.161   3.355
  260   2HB   ARG  35          HB2       ARG  35  -9.240 -11.519   3.197
  261   1HG   ARG  35          HG1       ARG  35  -7.962 -10.116   5.367
  262   2HG   ARG  35          HG2       ARG  35  -6.838 -10.140   4.023
  263   1HD   ARG  35          HD1       ARG  35  -8.135  -8.738   2.747
  264   2HD   ARG  35          HD2       ARG  35  -9.624  -9.546   3.194
  265    HE   ARG  35           HE       ARG  35  -8.476  -8.015   5.403
  266   1HH1  ARG  35          HH1       ARG  35 -10.829  -5.453   5.124
  267   2HH1  ARG  35          HH1       ARG  35  -9.594  -6.154   6.116
  268   1HH2  ARG  35          HH2       ARG  35 -11.349  -6.405   3.072
  269   2HH2  ARG  35          HH2       ARG  35 -10.501  -7.815   2.532
  270    H    TYR  36           H        TYR  36 -10.306 -14.440   5.809
  271    HA   TYR  36           HA       TYR  36 -12.744 -12.955   6.055
  272   1HB   TYR  36          HB1       TYR  36 -12.559 -15.225   4.003
  273   2HB   TYR  36          HB2       TYR  36 -13.846 -14.047   4.162
  274    HD1  TYR  36           HD1      TYR  36 -13.688 -11.864   3.129
  275    HD2  TYR  36           HD2      TYR  36 -10.403 -14.599   2.941
  276    HE1  TYR  36           HE1      TYR  36 -12.590 -10.434   1.336
  277    HE2  TYR  36           HE2      TYR  36  -9.317 -13.160   1.149
  278    HH   TYR  36           HH       TYR  36 -10.136 -11.531  -0.591
  279   1HN   NH2  37          HN1       NH2 237 -11.453 -16.227   5.406
  280   2HN   NH2  37          HN2       NH2 237 -12.215 -17.011   6.750
  Start of MODEL   23
    1    H    TYR   1           H        TYR   1   0.625  29.050  -2.464
    2    HA   TYR   1           HA       TYR   1   1.010  28.038  -4.827
    3   1HB   TYR   1          HB1       TYR   1  -1.268  30.045  -5.238
    4   2HB   TYR   1          HB2       TYR   1  -0.684  28.854  -6.383
    5    HD1  TYR   1           HD1      TYR   1  -2.794  29.402  -3.416
    6    HD2  TYR   1           HD2      TYR   1  -1.430  26.533  -6.283
    7    HE1  TYR   1           HE1      TYR   1  -4.629  27.797  -2.694
    8    HE2  TYR   1           HE2      TYR   1  -3.269  24.938  -5.551
    9    HH   TYR   1           HH       TYR   1  -5.775  25.518  -4.333
   10    HA   PRO   2           HA       PRO   2   3.035  31.978  -4.151
   11   1HB   PRO   2          HB1       PRO   2   5.599  31.071  -4.413
   12   2HB   PRO   2          HB2       PRO   2   4.773  31.178  -2.871
   13   1HG   PRO   2          HG1       PRO   2   5.364  28.779  -4.495
   14   2HG   PRO   2          HG2       PRO   2   4.937  28.878  -2.798
   15   1HD   PRO   2          HD1       PRO   2   3.221  28.088  -4.956
   16   2HD   PRO   2          HD2       PRO   2   2.764  28.299  -3.278
   17    H    SER   3           H        SER   3   4.526  29.713  -6.427
   18    HA   SER   3           HA       SER   3   3.578  31.100  -8.633
   19   1HB   SER   3          HB1       SER   3   5.140  32.875  -7.901
   20   2HB   SER   3          HB2       SER   3   6.466  31.729  -7.877
   21    HG   SER   3           HG       SER   3   5.122  32.905 -10.102
   22    H    LYS   4           H        LYS   4   6.234  29.164  -7.159
   23    HA   LYS   4           HA       LYS   4   5.791  26.851  -8.430
   24   1HB   LYS   4          HB1       LYS   4   6.084  27.256 -10.617
   25   2HB   LYS   4          HB2       LYS   4   6.894  28.784 -10.335
   26   1HG   LYS   4          HG1       LYS   4   9.026  27.744 -10.039
   27   2HG   LYS   4          HG2       LYS   4   8.320  26.165  -9.757
   28   1HD   LYS   4          HD1       LYS   4   7.816  25.828 -12.052
   29   2HD   LYS   4          HD2       LYS   4   7.863  27.541 -12.418
   30   1HE   LYS   4          HE1       LYS   4   9.878  26.448 -13.315
   31   2HE   LYS   4          HE2       LYS   4  10.332  27.565 -12.044
   32   1HZ   LYS   4          HZ1       LYS   4  10.448  24.696 -12.065
   33   2HZ   LYS   4          HZ2       LYS   4  11.407  25.773 -11.298
   34   3HZ   LYS   4          HZ3       LYS   4   9.966  25.357 -10.651
   35    HA   PRO   5           HA       PRO   5  10.245  27.179  -6.896
   36   1HB   PRO   5          HB1       PRO   5  11.342  29.620  -6.339
   37   2HB   PRO   5          HB2       PRO   5  11.576  28.790  -7.865
   38   1HG   PRO   5          HG1       PRO   5   9.851  31.114  -7.265
   39   2HG   PRO   5          HG2       PRO   5  10.423  30.544  -8.820
   40   1HD   PRO   5          HD1       PRO   5   7.794  30.198  -7.726
   41   2HD   PRO   5          HD2       PRO   5   8.400  29.530  -9.228
   42    H    ASP   6           H        ASP   6   8.989  26.174  -5.231
   43    HA   ASP   6           HA       ASP   6   9.651  27.263  -2.773
   44   1HB   ASP   6          HB1       ASP   6   7.559  28.677  -3.686
   45   2HB   ASP   6          HB2       ASP   6   6.650  27.286  -3.130
   46    H    ASN   7           H        ASN   7   6.897  25.517  -4.416
   47    HA   ASN   7           HA       ASN   7   5.910  23.619  -3.964
   48   1HB   ASN   7          HB1       ASN   7   7.936  22.822  -5.173
   49   2HB   ASN   7          HB2       ASN   7   8.828  22.733  -3.667
   50   1HD2  ASN   7          HD2       ASN   7   8.823  20.532  -5.068
   51   2HD2  ASN   7          HD2       ASN   7   7.776  19.307  -4.431
   52    HA   PRO   8           HA       PRO   8   6.226  23.765   0.545
   53   1HB   PRO   8          HB1       PRO   8   3.544  23.851   1.063
   54   2HB   PRO   8          HB2       PRO   8   4.530  25.288   0.870
   55   1HG   PRO   8          HG1       PRO   8   2.592  24.102  -1.021
   56   2HG   PRO   8          HG2       PRO   8   3.255  25.724  -1.002
   57   1HD   PRO   8          HD1       PRO   8   4.012  23.581  -2.752
   58   2HD   PRO   8          HD2       PRO   8   4.753  25.165  -2.654
   59    H    GLY   9           H        GLY   9   3.954  21.820  -1.301
   60   1HA   GLY   9          HA1       GLY   9   4.967  19.378  -0.576
   61   2HA   GLY   9          HA2       GLY   9   3.833  19.776   0.699
   62    H    GLU  10           H        GLU  10   3.938  20.178  -2.922
   63    HA   GLU  10           HA       GLU  10   1.297  18.935  -2.938
   64   1HB   GLU  10          HB1       GLU  10   2.113  20.896  -5.081
   65   2HB   GLU  10          HB2       GLU  10   0.506  20.477  -4.522
   66   1HG   GLU  10          HG1       GLU  10   1.566  21.515  -2.208
   67   2HG   GLU  10          HG2       GLU  10   2.454  22.446  -3.398
   68    H    ASP  11           H        ASP  11   2.728  16.934  -3.140
   69    HA   ASP  11           HA       ASP  11   4.057  16.715  -5.673
   70   1HB   ASP  11          HB1       ASP  11   4.033  15.293  -3.098
   71   2HB   ASP  11          HB2       ASP  11   3.951  14.170  -4.441
   72    H    ALA  12           H        ALA  12   3.119  15.699  -7.478
   73    HA   ALA  12           HA       ALA  12   0.509  15.325  -7.836
   74   1HB   ALA  12          HB1       ALA  12   2.935  14.581  -9.147
   75   2HB   ALA  12          HB2       ALA  12   1.848  13.172  -9.197
   76   3HB   ALA  12          HB3       ALA  12   1.307  14.737  -9.850
   77    HA   PRO  13           HA       PRO  13  -0.161  12.053  -4.916
   78   1HB   PRO  13          HB1       PRO  13  -2.772  12.655  -4.378
   79   2HB   PRO  13          HB2       PRO  13  -1.427  13.331  -3.480
   80   1HG   PRO  13          HG1       PRO  13  -3.128  14.623  -5.524
   81   2HG   PRO  13          HG2       PRO  13  -2.084  15.372  -4.331
   82   1HD   PRO  13          HD1       PRO  13  -1.540  15.055  -7.129
   83   2HD   PRO  13          HD2       PRO  13  -0.451  15.698  -5.916
   84    H    ALA  14           H        ALA  14   0.092  10.256  -6.168
   85    HA   ALA  14           HA       ALA  14  -2.191   8.891  -6.856
   86   1HB   ALA  14          HB1       ALA  14  -1.191   9.483  -9.514
   87   2HB   ALA  14          HB2       ALA  14  -2.846   9.629  -8.875
   88   3HB   ALA  14          HB3       ALA  14  -1.703  10.982  -8.701
   89    H    GLU  15           H        GLU  15   1.201   9.702  -7.756
   90    HA   GLU  15           HA       GLU  15   1.727   7.010  -8.506
   91   1HB   GLU  15          HB1       GLU  15   2.862   9.057  -9.493
   92   2HB   GLU  15          HB2       GLU  15   3.708   9.265  -7.973
   93   1HG   GLU  15          HG1       GLU  15   4.332   6.673  -8.375
   94   2HG   GLU  15          HG2       GLU  15   4.033   7.102 -10.048
   95    H    ASP  16           H        ASP  16   1.509   8.758  -5.546
   96    HA   ASP  16           HA       ASP  16   3.424   7.054  -4.229
   97   1HB   ASP  16          HB1       ASP  16   1.591   9.200  -3.063
   98   2HB   ASP  16          HB2       ASP  16   2.942   8.445  -2.240
   99    H    LEU  17           H        LEU  17  -0.060   7.579  -4.720
  100    HA   LEU  17           HA       LEU  17  -0.827   5.862  -2.542
  101   1HB   LEU  17          HB1       LEU  17  -2.013   7.924  -3.947
  102   2HB   LEU  17          HB2       LEU  17  -2.846   6.507  -4.555
  103    HG   LEU  17           HG       LEU  17  -3.965   7.625  -2.628
  104   1HD1  LEU  17          HD1       LEU  17  -3.273   4.765  -2.811
  105   2HD1  LEU  17          HD1       LEU  17  -3.895   5.290  -1.227
  106   3HD1  LEU  17          HD1       LEU  17  -4.859   5.567  -2.698
  107   1HD2  LEU  17          HD2       LEU  17  -1.842   6.467  -0.835
  108   2HD2  LEU  17          HD2       LEU  17  -1.699   8.115  -1.492
  109   3HD2  LEU  17          HD2       LEU  17  -3.092   7.681  -0.473
  110    H    ALA  18           H        ALA  18  -0.360   5.698  -6.086
  111    HA   ALA  18           HA       ALA  18  -1.609   3.211  -6.446
  112   1HB   ALA  18          HB1       ALA  18  -1.007   4.920  -8.208
  113   2HB   ALA  18          HB2       ALA  18   0.690   4.415  -8.033
  114   3HB   ALA  18          HB3       ALA  18  -0.530   3.252  -8.605
  115    H    ARG  19           H        ARG  19   1.824   4.177  -5.804
  116    HA   ARG  19           HA       ARG  19   2.872   1.654  -5.968
  117   1HB   ARG  19          HB1       ARG  19   4.733   2.587  -4.532
  118   2HB   ARG  19          HB2       ARG  19   4.304   3.635  -5.869
  119   1HG   ARG  19          HG1       ARG  19   3.012   5.102  -4.420
  120   2HG   ARG  19          HG2       ARG  19   3.107   3.971  -3.085
  121   1HD   ARG  19          HD1       ARG  19   4.780   5.548  -2.537
  122   2HD   ARG  19          HD2       ARG  19   5.707   4.262  -3.284
  123    HE   ARG  19           HE       ARG  19   4.962   5.986  -5.386
  124   1HH1  ARG  19          HH1       ARG  19   7.610   8.251  -5.189
  125   2HH1  ARG  19          HH1       ARG  19   6.344   7.620  -6.189
  126   1HH2  ARG  19          HH2       ARG  19   7.903   7.437  -3.036
  127   2HH2  ARG  19          HH2       ARG  19   6.855   6.199  -2.428
  128    H    TYR  20           H        TYR  20   0.867   3.162  -3.507
  129    HA   TYR  20           HA       TYR  20   1.612   1.211  -1.486
  130   1HB   TYR  20          HB1       TYR  20   1.194   3.394  -0.596
  131   2HB   TYR  20          HB2       TYR  20  -0.015   3.755  -1.813
  132    HD1  TYR  20           HD1      TYR  20   0.505   1.459   1.112
  133    HD2  TYR  20           HD2      TYR  20  -2.252   3.795  -1.179
  134    HE1  TYR  20           HE1      TYR  20  -1.340   0.927   2.778
  135    HE2  TYR  20           HE2      TYR  20  -4.088   3.255   0.494
  136    HH   TYR  20           HH       TYR  20  -4.607   1.547   2.105
  137    H    TYR  21           H        TYR  21  -0.577   1.510  -4.129
  138    HA   TYR  21           HA       TYR  21  -2.532  -0.254  -2.852
  139   1HB   TYR  21          HB1       TYR  21  -2.396   1.860  -4.917
  140   2HB   TYR  21          HB2       TYR  21  -3.139   0.422  -5.588
  141    HD1  TYR  21           HD1      TYR  21  -5.442   0.646  -5.668
  142    HD2  TYR  21           HD2      TYR  21  -3.352   2.104  -2.231
  143    HE1  TYR  21           HE1      TYR  21  -7.652   1.291  -4.588
  144    HE2  TYR  21           HE2      TYR  21  -5.569   2.744  -1.163
  145    HH   TYR  21           HH       TYR  21  -8.012   3.372  -2.330
  146    H    SER  22           H        SER  22   0.023  -0.119  -5.316
  147    HA   SER  22           HA       SER  22  -0.814  -2.521  -6.566
  148   1HB   SER  22          HB1       SER  22   1.359  -0.531  -6.871
  149   2HB   SER  22          HB2       SER  22   1.856  -2.166  -7.258
  150    HG   SER  22           HG       SER  22   0.736  -2.069  -9.077
  151    H    ALA  23           H        ALA  23   1.445  -1.544  -3.970
  152    HA   ALA  23           HA       ALA  23   2.645  -4.151  -3.815
  153   1HB   ALA  23          HB1       ALA  23   3.609  -3.040  -1.671
  154   2HB   ALA  23          HB2       ALA  23   4.085  -2.372  -3.251
  155   3HB   ALA  23          HB3       ALA  23   2.842  -1.552  -2.275
  156    H    LEU  24           H        LEU  24  -0.161  -2.463  -2.539
  157    HA   LEU  24           HA       LEU  24  -0.447  -4.040  -0.204
  158   1HB   LEU  24          HB1       LEU  24  -1.759  -2.311   0.182
  159   2HB   LEU  24          HB2       LEU  24  -1.769  -1.846  -1.508
  160    HG   LEU  24           HG       LEU  24  -4.029  -2.172  -0.726
  161   1HD1  LEU  24          HD1       LEU  24  -4.531  -2.873  -2.766
  162   2HD1  LEU  24          HD1       LEU  24  -2.886  -3.526  -2.955
  163   3HD1  LEU  24          HD1       LEU  24  -4.179  -4.551  -2.288
  164   1HD2  LEU  24          HD2       LEU  24  -4.292  -4.947  -0.337
  165   2HD2  LEU  24          HD2       LEU  24  -2.894  -4.440   0.642
  166   3HD2  LEU  24          HD2       LEU  24  -4.472  -3.649   0.868
  167    H    ARG  25           H        ARG  25  -0.798  -4.685  -3.565
  168    HA   ARG  25           HA       ARG  25  -2.884  -6.593  -3.207
  169   1HB   ARG  25          HB1       ARG  25  -1.191  -5.612  -5.510
  170   2HB   ARG  25          HB2       ARG  25  -1.981  -7.166  -5.687
  171   1HG   ARG  25          HG1       ARG  25  -3.422  -4.584  -4.916
  172   2HG   ARG  25          HG2       ARG  25  -3.356  -5.227  -6.545
  173   1HD   ARG  25          HD1       ARG  25  -4.296  -7.445  -5.407
  174   2HD   ARG  25          HD2       ARG  25  -4.785  -6.356  -4.124
  175    HE   ARG  25           HE       ARG  25  -6.448  -5.491  -5.525
  176   1HH1  ARG  25          HH1       ARG  25  -7.043  -5.980  -8.928
  177   2HH1  ARG  25          HH1       ARG  25  -7.659  -5.311  -7.454
  178   1HH2  ARG  25          HH2       ARG  25  -4.988  -7.058  -8.944
  179   2HH2  ARG  25          HH2       ARG  25  -4.070  -7.194  -7.481
  180    H    HIS  26           H        HIS  26   0.596  -6.724  -4.297
  181    HA   HIS  26           HA       HIS  26   0.795  -9.484  -4.206
  182   1HB   HIS  26          HB1       HIS  26   2.398  -7.375  -4.958
  183   2HB   HIS  26          HB2       HIS  26   3.255  -7.999  -3.563
  184    HD1  HIS  26           HD1      HIS  26   2.431  -8.770  -7.116
  185    HD2  HIS  26           HD2      HIS  26   4.200 -10.707  -3.843
  186    HE1  HIS  26           HE1      HIS  26   3.614 -10.826  -8.056
  187    H    TYR  27           H        TYR  27   0.678  -7.089  -1.658
  188    HA   TYR  27           HA       TYR  27   1.965  -8.787   0.284
  189   1HB   TYR  27          HB1       TYR  27   2.210  -6.424   0.638
  190   2HB   TYR  27          HB2       TYR  27   0.594  -6.080   0.052
  191    HD1  TYR  27           HD1      TYR  27  -0.476  -4.895   1.755
  192    HD2  TYR  27           HD2      TYR  27   1.722  -8.428   2.749
  193    HE1  TYR  27           HE1      TYR  27  -1.309  -4.748   4.152
  194    HE2  TYR  27           HE2      TYR  27   0.882  -8.269   5.143
  195    HH   TYR  27           HH       TYR  27  -0.108  -5.803   6.543
  196    H    ILE  28           H        ILE  28  -1.375  -7.704  -0.569
  197    HA   ILE  28           HA       ILE  28  -2.485  -9.244   1.593
  198    HB   ILE  28           HB       ILE  28  -3.612  -7.515  -0.592
  199   1HG1  ILE  28          1HG1      ILE  28  -2.629  -6.325   1.268
  200   2HG1  ILE  28          2HG1      ILE  28  -4.372  -6.150   1.310
  201   1HG2  ILE  28          1HG2      ILE  28  -5.176  -9.336  -0.395
  202   2HG2  ILE  28          2HG2      ILE  28  -5.152  -9.222   1.381
  203   3HG2  ILE  28          3HG2      ILE  28  -5.849  -7.900   0.414
  204   1HD1  ILE  28          1HD1      ILE  28  -4.023  -8.435   2.834
  205   2HD1  ILE  28          2HD1      ILE  28  -2.564  -7.497   3.234
  206   3HD1  ILE  28          3HD1      ILE  28  -4.177  -6.788   3.493
  207    H    ASN  29           H        ASN  29  -1.228  -9.921  -1.486
  208    HA   ASN  29           HA       ASN  29  -3.051 -11.631  -2.567
  209   1HB   ASN  29          HB1       ASN  29  -0.873 -10.890  -3.620
  210   2HB   ASN  29          HB2       ASN  29  -0.002 -11.950  -2.528
  211   1HD2  ASN  29          HD2       ASN  29   0.738 -12.721  -4.688
  212   2HD2  ASN  29          HD2       ASN  29  -0.137 -14.011  -5.445
  213    H    LEU  30           H        LEU  30  -1.182 -11.874   0.369
  214    HA   LEU  30           HA       LEU  30  -1.226 -14.761   0.446
  215   1HB   LEU  30          HB1       LEU  30   0.558 -14.393   1.676
  216   2HB   LEU  30          HB2       LEU  30   0.261 -12.666   1.666
  217    HG   LEU  30           HG       LEU  30  -1.381 -13.132   3.613
  218   1HD1  LEU  30          HD1       LEU  30   0.213 -15.409   4.498
  219   2HD1  LEU  30          HD1       LEU  30  -1.550 -15.161   4.516
  220   3HD1  LEU  30          HD1       LEU  30  -0.751 -15.768   3.045
  221   1HD2  LEU  30          HD2       LEU  30   1.599 -13.474   4.047
  222   2HD2  LEU  30          HD2       LEU  30   0.749 -11.926   3.823
  223   3HD2  LEU  30          HD2       LEU  30   0.406 -12.931   5.251
  224    H    ALA  31           H        ALA  31  -3.312 -12.104   1.192
  225    HA   ALA  31           HA       ALA  31  -5.092 -13.971   2.560
  226   1HB   ALA  31          HB1       ALA  31  -5.027 -12.874   4.522
  227   2HB   ALA  31          HB2       ALA  31  -3.627 -11.967   3.900
  228   3HB   ALA  31          HB3       ALA  31  -5.270 -11.307   3.713
  229   1HN   AIB  32          1HN       AIB  32  -6.066 -13.978   0.382
  230   1HB1  AIB  32          1HB1      AIB  32  -6.409 -10.703  -1.165
  231   2HB1  AIB  32          2HB1      AIB  32  -7.359 -11.531  -2.427
  232   3HB1  AIB  32          3HB1      AIB  32  -5.790 -12.191  -1.935
  233   1HB2  AIB  32          1HB2      AIB  32  -8.064 -10.643   0.523
  234   2HB2  AIB  32          2HB2      AIB  32  -8.670 -12.110   1.310
  235   3HB2  AIB  32          3HB2      AIB  32  -9.363 -11.593  -0.251
  236    H    ARG  33           H        ARG  33  -7.589 -15.000   0.439
  237    HA   ARG  33           HA       ARG  33  -9.658 -15.673  -1.376
  238   1HB   ARG  33          HB1       ARG  33  -8.247 -16.352  -3.057
  239   2HB   ARG  33          HB2       ARG  33  -6.843 -16.328  -2.008
  240   1HG   ARG  33          HG1       ARG  33  -7.283 -18.538  -1.174
  241   2HG   ARG  33          HG2       ARG  33  -8.930 -18.529  -1.775
  242   1HD   ARG  33          HD1       ARG  33  -7.394 -18.083  -4.090
  243   2HD   ARG  33          HD2       ARG  33  -6.432 -19.233  -3.182
  244    HE   ARG  33           HE       ARG  33  -9.039 -19.728  -4.413
  245   1HH1  ARG  33          HH1       ARG  33  -9.217 -22.993  -3.194
  246   2HH1  ARG  33          HH1       ARG  33  -9.889 -21.846  -4.305
  247   1HH2  ARG  33          HH2       ARG  33  -7.453 -22.378  -1.817
  248   2HH2  ARG  33          HH2       ARG  33  -6.810 -20.772  -1.899
  249    H    GLN  34           H        GLN  34  -7.036 -16.806   0.846
  250    HA   GLN  34           HA       GLN  34  -8.082 -19.206   1.556
  251   1HB   GLN  34          HB1       GLN  34  -5.865 -17.972   2.248
  252   2HB   GLN  34          HB2       GLN  34  -6.796 -17.390   3.614
  253   1HG   GLN  34          HG1       GLN  34  -7.471 -19.996   3.800
  254   2HG   GLN  34          HG2       GLN  34  -5.954 -20.207   2.949
  255   1HE2  GLN  34          1HE2      GLN  34  -7.007 -20.646   5.787
  256   2HE2  GLN  34          2HE2      GLN  34  -5.787 -19.984   6.823
  257    H    ARG  35           H        ARG  35  -9.330 -16.013   2.198
  258    HA   ARG  35           HA       ARG  35 -10.880 -16.942   4.431
  259   1HB   ARG  35          HB1       ARG  35  -9.817 -14.468   3.752
  260   2HB   ARG  35          HB2       ARG  35 -11.487 -14.265   3.262
  261   1HG   ARG  35          HG1       ARG  35 -12.309 -14.759   5.479
  262   2HG   ARG  35          HG2       ARG  35 -10.756 -15.383   5.999
  263   1HD   ARG  35          HD1       ARG  35 -10.693 -13.238   6.936
  264   2HD   ARG  35          HD2       ARG  35  -9.878 -12.946   5.412
  265    HE   ARG  35           HE       ARG  35 -11.717 -11.680   4.678
  266   1HH1  ARG  35          HH1       ARG  35 -14.762 -11.035   6.256
  267   2HH1  ARG  35          HH1       ARG  35 -13.719 -10.610   4.940
  268   1HH2  ARG  35          HH2       ARG  35 -14.127 -12.692   7.751
  269   2HH2  ARG  35          HH2       ARG  35 -12.610 -13.504   7.552
  270    H    TYR  36           H        TYR  36 -11.185 -17.945   1.535
  271    HA   TYR  36           HA       TYR  36 -14.054 -17.844   1.501
  272   1HB   TYR  36          HB1       TYR  36 -12.473 -16.954  -0.969
  273   2HB   TYR  36          HB2       TYR  36 -14.186 -16.733  -0.671
  274    HD1  TYR  36           HD1      TYR  36 -15.010 -14.797   0.464
  275    HD2  TYR  36           HD2      TYR  36 -10.802 -15.546   0.289
  276    HE1  TYR  36           HE1      TYR  36 -14.550 -12.453   1.334
  277    HE2  TYR  36           HE2      TYR  36 -10.355 -13.199   1.159
  278    HH   TYR  36           HH       TYR  36 -11.994 -10.871   0.980
  279   1HN   NH2  37          HN1       NH2 237 -11.250 -18.463  -0.634
  280   2HN   NH2  37          HN2       NH2 237 -11.648 -20.106  -1.011
  Start of MODEL   24
    1    H    TYR   1           H        TYR   1  -4.742  10.485 -14.274
    2    HA   TYR   1           HA       TYR   1  -6.839   9.515 -12.456
    3   1HB   TYR   1          HB1       TYR   1  -5.774   8.017 -14.899
    4   2HB   TYR   1          HB2       TYR   1  -7.316   7.793 -14.098
    5    HD1  TYR   1           HD1      TYR   1  -9.094   9.623 -14.350
    6    HD2  TYR   1           HD2      TYR   1  -5.575   9.444 -16.777
    7    HE1  TYR   1           HE1      TYR   1 -10.202  11.121 -16.080
    8    HE2  TYR   1           HE2      TYR   1  -6.695  10.942 -18.499
    9    HH   TYR   1           HH       TYR   1  -8.467  12.038 -19.046
   10    HA   PRO   2           HA       PRO   2  -3.654   7.204 -10.663
   11   1HB   PRO   2          HB1       PRO   2  -5.002   5.073  -9.610
   12   2HB   PRO   2          HB2       PRO   2  -4.960   6.651  -8.849
   13   1HG   PRO   2          HG1       PRO   2  -7.165   5.374 -10.348
   14   2HG   PRO   2          HG2       PRO   2  -7.232   6.729  -9.239
   15   1HD   PRO   2          HD1       PRO   2  -7.343   6.848 -12.103
   16   2HD   PRO   2          HD2       PRO   2  -7.293   8.208 -10.998
   17    H    SER   3           H        SER   3  -2.688   4.865 -10.398
   18    HA   SER   3           HA       SER   3  -1.920   3.070 -11.369
   19   1HB   SER   3          HB1       SER   3  -4.477   3.315 -12.624
   20   2HB   SER   3          HB2       SER   3  -3.335   2.941 -13.901
   21    HG   SER   3           HG       SER   3  -3.405   1.455 -11.424
   22    H    LYS   4           H        LYS   4  -2.885   5.367 -14.032
   23    HA   LYS   4           HA       LYS   4  -0.735   4.912 -15.674
   24   1HB   LYS   4          HB1       LYS   4  -2.188   6.194 -16.803
   25   2HB   LYS   4          HB2       LYS   4  -2.814   6.949 -15.351
   26   1HG   LYS   4          HG1       LYS   4  -1.135   8.626 -15.335
   27   2HG   LYS   4          HG2       LYS   4  -0.042   7.685 -16.330
   28   1HD   LYS   4          HD1       LYS   4  -1.207   8.176 -18.325
   29   2HD   LYS   4          HD2       LYS   4  -2.709   8.517 -17.489
   30   1HE   LYS   4          HE1       LYS   4  -1.904  10.651 -16.692
   31   2HE   LYS   4          HE2       LYS   4  -0.246  10.269 -17.111
   32   1HZ   LYS   4          HZ1       LYS   4  -2.381  11.166 -18.800
   33   2HZ   LYS   4          HZ2       LYS   4  -0.771  11.401 -18.941
   34   3HZ   LYS   4          HZ3       LYS   4  -1.440  10.003 -19.455
   35    HA   PRO   5           HA       PRO   5   2.620   6.628 -13.559
   36   1HB   PRO   5          HB1       PRO   5   4.416   6.853 -15.607
   37   2HB   PRO   5          HB2       PRO   5   4.112   5.349 -14.759
   38   1HG   PRO   5          HG1       PRO   5   3.224   6.167 -17.457
   39   2HG   PRO   5          HG2       PRO   5   3.304   4.557 -16.768
   40   1HD   PRO   5          HD1       PRO   5   0.948   6.153 -17.135
   41   2HD   PRO   5          HD2       PRO   5   1.045   4.593 -16.342
   42    H    ASP   6           H        ASP   6   2.512   8.569 -12.630
   43    HA   ASP   6           HA       ASP   6   1.859  10.757 -14.314
   44   1HB   ASP   6          HB1       ASP   6   2.287  10.266 -11.389
   45   2HB   ASP   6          HB2       ASP   6   2.578  11.907 -11.932
   46    H    ASN   7           H        ASN   7   3.280  12.565 -14.819
   47    HA   ASN   7           HA       ASN   7   5.991  11.837 -15.031
   48   1HB   ASN   7          HB1       ASN   7   4.240  13.732 -16.222
   49   2HB   ASN   7          HB2       ASN   7   5.447  14.707 -15.409
   50   1HD2  ASN   7          HD2       ASN   7   6.631  15.413 -17.059
   51   2HD2  ASN   7          HD2       ASN   7   7.515  14.425 -18.174
   52    HA   PRO   8           HA       PRO   8   6.320  15.285 -11.736
   53   1HB   PRO   8          HB1       PRO   8   4.053  16.267 -10.568
   54   2HB   PRO   8          HB2       PRO   8   4.843  17.040 -11.928
   55   1HG   PRO   8          HG1       PRO   8   2.355  15.444 -11.893
   56   2HG   PRO   8          HG2       PRO   8   2.926  16.559 -13.118
   57   1HD   PRO   8          HD1       PRO   8   3.000  13.694 -13.237
   58   2HD   PRO   8          HD2       PRO   8   3.675  14.809 -14.408
   59    H    GLY   9           H        GLY   9   6.060  15.550  -9.244
   60   1HA   GLY   9          HA1       GLY   9   5.272  12.889  -8.220
   61   2HA   GLY   9          HA2       GLY   9   6.782  13.657  -7.771
   62    H    GLU  10           H        GLU  10   5.995  16.368  -7.483
   63    HA   GLU  10           HA       GLU  10   4.765  16.188  -4.948
   64   1HB   GLU  10          HB1       GLU  10   5.173  18.816  -6.372
   65   2HB   GLU  10          HB2       GLU  10   5.394  18.434  -4.676
   66   1HG   GLU  10          HG1       GLU  10   7.617  18.294  -5.157
   67   2HG   GLU  10          HG2       GLU  10   7.242  16.741  -5.876
   68    H    ASP  11           H        ASP  11   3.865  17.827  -8.070
   69    HA   ASP  11           HA       ASP  11   1.191  18.125  -7.030
   70   1HB   ASP  11          HB1       ASP  11   0.817  19.485  -9.084
   71   2HB   ASP  11          HB2       ASP  11   2.190  20.061  -8.161
   72    H    ALA  12           H        ALA  12   1.267  15.538  -7.194
   73    HA   ALA  12           HA       ALA  12  -0.359  14.791  -9.355
   74   1HB   ALA  12          HB1       ALA  12   1.091  14.079 -10.915
   75   2HB   ALA  12          HB2       ALA  12   2.411  14.795  -9.960
   76   3HB   ALA  12          HB3       ALA  12   1.958  13.091  -9.715
   77    HA   PRO  13           HA       PRO  13  -0.378  12.272  -5.590
   78   1HB   PRO  13          HB1       PRO  13  -2.975  12.714  -4.864
   79   2HB   PRO  13          HB2       PRO  13  -1.631  13.641  -4.227
   80   1HG   PRO  13          HG1       PRO  13  -3.643  14.438  -6.241
   81   2HG   PRO  13          HG2       PRO  13  -2.577  15.455  -5.292
   82   1HD   PRO  13          HD1       PRO  13  -2.268  14.753  -8.056
   83   2HD   PRO  13          HD2       PRO  13  -1.144  15.674  -7.077
   84    H    ALA  14           H        ALA  14  -0.069  10.315  -6.539
   85    HA   ALA  14           HA       ALA  14  -2.266   8.682  -6.795
   86   1HB   ALA  14          HB1       ALA  14  -1.826  10.395  -9.126
   87   2HB   ALA  14          HB2       ALA  14  -1.734   8.667  -9.542
   88   3HB   ALA  14          HB3       ALA  14  -3.190   9.316  -8.750
   89    H    GLU  15           H        GLU  15   0.986   9.604  -8.003
   90    HA   GLU  15           HA       GLU  15   1.704   6.891  -8.448
   91   1HB   GLU  15          HB1       GLU  15   2.652   8.830  -9.739
   92   2HB   GLU  15          HB2       GLU  15   3.468   9.376  -8.287
   93   1HG   GLU  15          HG1       GLU  15   4.074   6.576  -8.628
   94   2HG   GLU  15          HG2       GLU  15   4.324   7.364 -10.173
   95    H    ASP  16           H        ASP  16   1.493   8.996  -5.710
   96    HA   ASP  16           HA       ASP  16   3.598   7.681  -4.283
   97   1HB   ASP  16          HB1       ASP  16   2.424  10.172  -4.107
   98   2HB   ASP  16          HB2       ASP  16   1.594   9.335  -2.810
   99    H    LEU  17           H        LEU  17   0.036   7.687  -4.625
  100    HA   LEU  17           HA       LEU  17  -0.257   5.857  -2.384
  101   1HB   LEU  17          HB1       LEU  17  -1.770   7.933  -3.229
  102   2HB   LEU  17          HB2       LEU  17  -2.578   6.614  -4.052
  103    HG   LEU  17           HG       LEU  17  -2.125   5.819  -1.338
  104   1HD1  LEU  17          HD1       LEU  17  -2.893   8.664  -1.688
  105   2HD1  LEU  17          HD1       LEU  17  -3.845   7.716  -0.520
  106   3HD1  LEU  17          HD1       LEU  17  -2.079   7.844  -0.334
  107   1HD2  LEU  17          HD2       LEU  17  -4.782   6.120  -1.477
  108   2HD2  LEU  17          HD2       LEU  17  -4.401   6.189  -3.214
  109   3HD2  LEU  17          HD2       LEU  17  -3.915   4.773  -2.251
  110    H    ALA  18           H        ALA  18   0.186   5.878  -5.831
  111    HA   ALA  18           HA       ALA  18  -1.232   3.530  -6.454
  112   1HB   ALA  18          HB1       ALA  18   0.489   3.577  -8.420
  113   2HB   ALA  18          HB2       ALA  18  -0.676   4.914  -8.266
  114   3HB   ALA  18          HB3       ALA  18   1.002   5.129  -7.715
  115    H    ARG  19           H        ARG  19   2.234   4.180  -5.605
  116    HA   ARG  19           HA       ARG  19   3.079   1.590  -5.870
  117   1HB   ARG  19          HB1       ARG  19   4.923   2.302  -4.251
  118   2HB   ARG  19          HB2       ARG  19   4.698   3.375  -5.619
  119   1HG   ARG  19          HG1       ARG  19   3.418   4.957  -4.263
  120   2HG   ARG  19          HG2       ARG  19   3.365   3.840  -2.913
  121   1HD   ARG  19          HD1       ARG  19   5.943   3.938  -2.883
  122   2HD   ARG  19          HD2       ARG  19   5.827   5.258  -4.029
  123    HE   ARG  19           HE       ARG  19   4.959   6.661  -2.333
  124   1HH1  ARG  19          HH1       ARG  19   4.553   5.969   1.063
  125   2HH1  ARG  19          HH1       ARG  19   4.587   7.209  -0.146
  126   1HH2  ARG  19          HH2       ARG  19   4.884   3.752   0.461
  127   2HH2  ARG  19          HH2       ARG  19   5.166   3.337  -1.197
  128    H    TYR  20           H        TYR  20   1.026   3.078  -3.468
  129    HA   TYR  20           HA       TYR  20   1.545   0.973  -1.517
  130   1HB   TYR  20          HB1       TYR  20   1.298   3.128  -0.503
  131   2HB   TYR  20          HB2       TYR  20   0.180   3.678  -1.735
  132    HD1  TYR  20           HD1      TYR  20  -2.136   3.691  -1.323
  133    HD2  TYR  20           HD2      TYR  20   0.430   1.374   1.197
  134    HE1  TYR  20           HE1      TYR  20  -4.082   3.231   0.247
  135    HE2  TYR  20           HE2      TYR  20  -1.525   0.922   2.759
  136    HH   TYR  20           HH       TYR  20  -4.757   1.693   1.870
  137    H    TYR  21           H        TYR  21  -0.467   1.603  -4.227
  138    HA   TYR  21           HA       TYR  21  -2.650  -0.009  -3.130
  139   1HB   TYR  21          HB1       TYR  21  -2.205   2.174  -5.076
  140   2HB   TYR  21          HB2       TYR  21  -3.049   0.849  -5.852
  141    HD1  TYR  21           HD1      TYR  21  -3.285   2.299  -2.394
  142    HD2  TYR  21           HD2      TYR  21  -5.295   1.394  -6.060
  143    HE1  TYR  21           HE1      TYR  21  -5.481   3.107  -1.398
  144    HE2  TYR  21           HE2      TYR  21  -7.484   2.205  -5.052
  145    HH   TYR  21           HH       TYR  21  -8.480   2.514  -2.931
  146    H    SER  22           H        SER  22   0.030  -0.019  -5.459
  147    HA   SER  22           HA       SER  22  -0.983  -2.307  -6.818
  148   1HB   SER  22          HB1       SER  22   0.497  -0.476  -7.829
  149   2HB   SER  22          HB2       SER  22   1.835  -1.155  -6.924
  150    HG   SER  22           HG       SER  22   0.892  -3.275  -8.088
  151    H    ALA  23           H        ALA  23   1.241  -1.552  -4.139
  152    HA   ALA  23           HA       ALA  23   2.307  -4.229  -4.068
  153   1HB   ALA  23          HB1       ALA  23   3.588  -3.380  -2.173
  154   2HB   ALA  23          HB2       ALA  23   3.644  -2.195  -3.500
  155   3HB   ALA  23          HB3       ALA  23   2.575  -1.918  -2.104
  156    H    LEU  24           H        LEU  24  -0.424  -2.429  -2.807
  157    HA   LEU  24           HA       LEU  24  -0.849  -3.906  -0.464
  158   1HB   LEU  24          HB1       LEU  24  -2.359  -2.331  -0.218
  159   2HB   LEU  24          HB2       LEU  24  -2.035  -1.764  -1.844
  160    HG   LEU  24           HG       LEU  24  -4.385  -2.090  -1.633
  161   1HD1  LEU  24          HD1       LEU  24  -2.812  -3.530  -3.524
  162   2HD1  LEU  24          HD1       LEU  24  -4.251  -4.504  -3.138
  163   3HD1  LEU  24          HD1       LEU  24  -4.437  -2.832  -3.720
  164   1HD2  LEU  24          HD2       LEU  24  -5.270  -3.555  -0.226
  165   2HD2  LEU  24          HD2       LEU  24  -4.685  -4.899  -1.235
  166   3HD2  LEU  24          HD2       LEU  24  -3.659  -4.253   0.069
  167    H    ARG  25           H        ARG  25  -0.941  -4.822  -3.764
  168    HA   ARG  25           HA       ARG  25  -3.010  -6.754  -3.392
  169   1HB   ARG  25          HB1       ARG  25  -2.179  -5.433  -5.596
  170   2HB   ARG  25          HB2       ARG  25  -1.125  -6.824  -5.753
  171   1HG   ARG  25          HG1       ARG  25  -2.882  -8.301  -6.142
  172   2HG   ARG  25          HG2       ARG  25  -4.008  -7.400  -5.146
  173   1HD   ARG  25          HD1       ARG  25  -4.245  -5.668  -6.886
  174   2HD   ARG  25          HD2       ARG  25  -2.993  -6.418  -7.857
  175    HE   ARG  25           HE       ARG  25  -4.526  -8.061  -8.557
  176   1HH1  ARG  25          HH1       ARG  25  -7.876  -8.495  -7.682
  177   2HH1  ARG  25          HH1       ARG  25  -6.614  -8.967  -8.769
  178   1HH2  ARG  25          HH2       ARG  25  -7.449  -6.944  -6.009
  179   2HH2  ARG  25          HH2       ARG  25  -5.866  -6.258  -5.848
  180    H    HIS  26           H        HIS  26   0.529  -6.835  -4.274
  181    HA   HIS  26           HA       HIS  26   0.808  -9.576  -3.987
  182   1HB   HIS  26          HB1       HIS  26   2.382  -7.477  -4.806
  183   2HB   HIS  26          HB2       HIS  26   3.174  -7.951  -3.317
  184    HD1  HIS  26           HD1      HIS  26   3.897 -10.584  -3.176
  185    HD2  HIS  26           HD2      HIS  26   2.932  -9.088  -6.974
  186    HE1  HIS  26           HE1      HIS  26   4.859 -12.240  -4.862
  187    H    TYR  27           H        TYR  27   0.463  -7.024  -1.620
  188    HA   TYR  27           HA       TYR  27   1.695  -8.540   0.501
  189   1HB   TYR  27          HB1       TYR  27   1.845  -6.181   0.794
  190   2HB   TYR  27          HB2       TYR  27   0.328  -5.892  -0.034
  191    HD1  TYR  27           HD1      TYR  27   1.068  -8.036   2.951
  192    HD2  TYR  27           HD2      TYR  27  -0.971  -4.604   1.414
  193    HE1  TYR  27           HE1      TYR  27  -0.099  -7.719   5.188
  194    HE2  TYR  27           HE2      TYR  27  -2.131  -4.298   3.655
  195    HH   TYR  27           HH       TYR  27  -1.632  -6.634   6.277
  196    H    ILE  28           H        ILE  28  -1.629  -7.621  -0.585
  197    HA   ILE  28           HA       ILE  28  -2.828  -9.011   1.613
  198    HB   ILE  28           HB       ILE  28  -3.881  -7.642  -0.853
  199   1HG1  ILE  28          1HG1      ILE  28  -3.014  -6.173   0.889
  200   2HG1  ILE  28          2HG1      ILE  28  -4.754  -6.021   0.748
  201   1HG2  ILE  28          1HG2      ILE  28  -5.420  -9.163   1.263
  202   2HG2  ILE  28          2HG2      ILE  28  -6.150  -7.963   0.170
  203   3HG2  ILE  28          3HG2      ILE  28  -5.408  -9.438  -0.496
  204   1HD1  ILE  28          1HD1      ILE  28  -4.850  -7.833   2.647
  205   2HD1  ILE  28          2HD1      ILE  28  -3.148  -7.391   2.923
  206   3HD1  ILE  28          3HD1      ILE  28  -4.424  -6.161   3.082
  207    H    ASN  29           H        ASN  29  -1.538  -9.829  -1.510
  208    HA   ASN  29           HA       ASN  29  -3.172 -11.836  -2.313
  209   1HB   ASN  29          HB1       ASN  29  -1.127 -10.968  -3.531
  210   2HB   ASN  29          HB2       ASN  29  -0.107 -11.828  -2.394
  211   1HD2  ASN  29          HD2       ASN  29  -1.569 -11.943  -5.347
  212   2HD2  ASN  29          HD2       ASN  29  -1.566 -13.647  -5.655
  213    H    LEU  30           H        LEU  30  -1.078 -11.607   0.495
  214    HA   LEU  30           HA       LEU  30  -0.614 -14.374   0.867
  215   1HB   LEU  30          HB1       LEU  30  -0.430 -11.960   2.661
  216   2HB   LEU  30          HB2       LEU  30  -0.069 -13.580   3.222
  217    HG   LEU  30           HG       LEU  30   1.335 -12.277   0.877
  218   1HD1  LEU  30          HD1       LEU  30   2.142 -12.354   3.795
  219   2HD1  LEU  30          HD1       LEU  30   3.227 -11.914   2.454
  220   3HD1  LEU  30          HD1       LEU  30   1.794 -10.918   2.803
  221   1HD2  LEU  30          HD2       LEU  30   2.965 -14.032   1.107
  222   2HD2  LEU  30          HD2       LEU  30   2.141 -14.670   2.551
  223   3HD2  LEU  30          HD2       LEU  30   1.347 -14.761   0.960
  224    H    ALA  31           H        ALA  31  -3.410 -12.391   1.115
  225    HA   ALA  31           HA       ALA  31  -4.700 -13.437   3.322
  226   1HB   ALA  31          HB1       ALA  31  -5.652 -11.551   2.275
  227   2HB   ALA  31          HB2       ALA  31  -5.612 -12.310   0.665
  228   3HB   ALA  31          HB3       ALA  31  -6.785 -12.867   1.882
  229   1HN   AIB  32          1HN       AIB  32  -6.251 -14.305   0.284
  230   1HB1  AIB  32          1HB1      AIB  32  -4.250 -16.853  -0.003
  231   2HB1  AIB  32          2HB1      AIB  32  -5.299 -18.243  -0.388
  232   3HB1  AIB  32          3HB1      AIB  32  -4.962 -17.840   1.305
  233   1HB2  AIB  32          1HB2      AIB  32  -6.822 -17.209  -1.702
  234   2HB2  AIB  32          2HB2      AIB  32  -6.639 -15.448  -1.630
  235   3HB2  AIB  32          3HB2      AIB  32  -8.110 -16.213  -0.971
  236    H    ARG  33           H        ARG  33  -7.300 -15.315   2.528
  237    HA   ARG  33           HA       ARG  33  -9.062 -17.596   2.944
  238   1HB   ARG  33          HB1       ARG  33  -7.819 -17.902   4.851
  239   2HB   ARG  33          HB2       ARG  33  -7.093 -16.311   4.742
  240   1HG   ARG  33          HG1       ARG  33  -8.486 -16.508   6.784
  241   2HG   ARG  33          HG2       ARG  33  -9.121 -15.276   5.712
  242   1HD   ARG  33          HD1       ARG  33 -10.418 -17.611   4.838
  243   2HD   ARG  33          HD2       ARG  33 -10.353 -17.817   6.577
  244    HE   ARG  33           HE       ARG  33 -11.234 -15.147   5.698
  245   1HH1  ARG  33          HH1       ARG  33 -14.491 -15.706   6.818
  246   2HH1  ARG  33          HH1       ARG  33 -13.365 -14.524   6.240
  247   1HH2  ARG  33          HH2       ARG  33 -13.837 -17.921   7.040
  248   2HH2  ARG  33          HH2       ARG  33 -12.222 -18.393   6.629
  249    H    GLN  34           H        GLN  34  -8.458 -14.070   3.490
  250    HA   GLN  34           HA       GLN  34 -10.872 -13.425   4.588
  251   1HB   GLN  34          HB1       GLN  34  -8.601 -12.057   3.758
  252   2HB   GLN  34          HB2       GLN  34  -9.824 -11.418   2.678
  253   1HG   GLN  34          HG1       GLN  34 -10.962 -10.346   4.370
  254   2HG   GLN  34          HG2       GLN  34 -10.699 -11.646   5.516
  255   1HE2  GLN  34          1HE2      GLN  34  -8.371 -11.953   6.201
  256   2HE2  GLN  34          2HE2      GLN  34  -7.460 -10.533   6.591
  257    H    ARG  35           H        ARG  35  -9.936 -13.836   1.138
  258    HA   ARG  35           HA       ARG  35 -12.660 -13.207   0.401
  259   1HB   ARG  35          HB1       ARG  35 -10.011 -13.221  -0.986
  260   2HB   ARG  35          HB2       ARG  35 -11.355 -13.756  -1.975
  261   1HG   ARG  35          HG1       ARG  35 -11.412 -11.442  -2.346
  262   2HG   ARG  35          HG2       ARG  35 -12.582 -11.608  -1.052
  263   1HD   ARG  35          HD1       ARG  35 -11.349 -10.208   0.240
  264   2HD   ARG  35          HD2       ARG  35 -10.018 -11.347   0.207
  265    HE   ARG  35           HE       ARG  35  -9.790 -10.088  -2.239
  266   1HH1  ARG  35          HH1       ARG  35  -8.299  -7.056  -1.368
  267   2HH1  ARG  35          HH1       ARG  35  -8.587  -8.189  -2.646
  268   1HH2  ARG  35          HH2       ARG  35  -9.136  -7.467   0.757
  269   2HH2  ARG  35          HH2       ARG  35 -10.048  -8.907   1.065
  270    H    TYR  36           H        TYR  36 -11.949 -15.697   1.869
  271    HA   TYR  36           HA       TYR  36 -12.290 -17.888   1.809
  272   1HB   TYR  36          HB1       TYR  36 -14.539 -17.701   1.159
  273   2HB   TYR  36          HB2       TYR  36 -14.155 -16.551  -0.105
  274    HD1  TYR  36           HD1      TYR  36 -14.037 -20.203   0.685
  275    HD2  TYR  36           HD2      TYR  36 -14.202 -17.206  -2.363
  276    HE1  TYR  36           HE1      TYR  36 -14.410 -22.002  -1.073
  277    HE2  TYR  36           HE2      TYR  36 -14.574 -19.014  -4.111
  278    HH   TYR  36           HH       TYR  36 -14.275 -21.270  -4.455
  279   1HN   NH2  37          HN1       NH2 237 -10.523 -19.002   1.347
  280   2HN   NH2  37          HN2       NH2 237  -9.932 -19.380  -0.236
  Start of MODEL   25
    1    H    TYR   1           H        TYR   1 -18.325  15.904  -3.710
    2    HA   TYR   1           HA       TYR   1 -17.109  17.286  -1.463
    3   1HB   TYR   1          HB1       TYR   1 -15.989  15.005  -3.172
    4   2HB   TYR   1          HB2       TYR   1 -15.705  15.291  -1.467
    5    HD1  TYR   1           HD1      TYR   1 -17.964  15.221   0.019
    6    HD2  TYR   1           HD2      TYR   1 -17.403  13.259  -3.742
    7    HE1  TYR   1           HE1      TYR   1 -19.811  13.571   0.595
    8    HE2  TYR   1           HE2      TYR   1 -19.252  11.616  -3.153
    9    HH   TYR   1           HH       TYR   1 -21.453  11.957  -1.343
   10    HA   PRO   2           HA       PRO   2 -14.939  19.468  -4.720
   11   1HB   PRO   2          HB1       PRO   2 -14.821  21.890  -3.461
   12   2HB   PRO   2          HB2       PRO   2 -16.112  21.442  -4.557
   13   1HG   PRO   2          HG1       PRO   2 -16.162  21.610  -1.606
   14   2HG   PRO   2          HG2       PRO   2 -17.509  21.585  -2.727
   15   1HD   PRO   2          HD1       PRO   2 -16.588  19.408  -1.102
   16   2HD   PRO   2          HD2       PRO   2 -17.860  19.352  -2.307
   17    H    SER   3           H        SER   3 -12.801  19.398  -5.070
   18    HA   SER   3           HA       SER   3 -10.993  20.315  -3.245
   19   1HB   SER   3          HB1       SER   3 -11.988  17.667  -2.559
   20   2HB   SER   3          HB2       SER   3 -10.282  17.571  -2.947
   21    HG   SER   3           HG       SER   3 -10.570  18.045  -0.704
   22    H    LYS   4           H        LYS   4 -10.188  21.074  -5.299
   23    HA   LYS   4           HA       LYS   4  -9.657  19.402  -7.462
   24   1HB   LYS   4          HB1       LYS   4  -9.240  21.365  -8.416
   25   2HB   LYS   4          HB2       LYS   4  -9.491  22.135  -6.863
   26   1HG   LYS   4          HG1       LYS   4  -7.021  21.602  -6.338
   27   2HG   LYS   4          HG2       LYS   4  -6.850  21.147  -8.022
   28   1HD   LYS   4          HD1       LYS   4  -7.605  23.418  -8.726
   29   2HD   LYS   4          HD2       LYS   4  -7.818  23.877  -7.048
   30   1HE   LYS   4          HE1       LYS   4  -5.171  23.044  -8.332
   31   2HE   LYS   4          HE2       LYS   4  -5.639  24.689  -7.948
   32   1HZ   LYS   4          HZ1       LYS   4  -4.956  22.526  -6.131
   33   2HZ   LYS   4          HZ2       LYS   4  -4.461  24.082  -6.119
   34   3HZ   LYS   4          HZ3       LYS   4  -5.963  23.699  -5.607
   35    HA   PRO   5           HA       PRO   5  -5.995  17.415  -6.345
   36   1HB   PRO   5          HB1       PRO   5  -4.760  17.046  -8.755
   37   2HB   PRO   5          HB2       PRO   5  -6.076  16.038  -8.189
   38   1HG   PRO   5          HG1       PRO   5  -6.121  18.162 -10.244
   39   2HG   PRO   5          HG2       PRO   5  -7.282  16.879  -9.966
   40   1HD   PRO   5          HD1       PRO   5  -7.569  19.639  -9.241
   41   2HD   PRO   5          HD2       PRO   5  -8.676  18.335  -8.861
   42    H    ASP   6           H        ASP   6  -3.417  17.387  -7.228
   43    HA   ASP   6           HA       ASP   6  -2.516  20.031  -7.543
   44   1HB   ASP   6          HB1       ASP   6  -3.156  19.731  -4.998
   45   2HB   ASP   6          HB2       ASP   6  -1.702  18.757  -4.910
   46    H    ASN   7           H        ASN   7  -0.840  19.530  -8.967
   47    HA   ASN   7           HA       ASN   7   1.092  17.591  -8.072
   48   1HB   ASN   7          HB1       ASN   7  -0.578  16.360  -9.553
   49   2HB   ASN   7          HB2       ASN   7  -0.171  17.454 -10.861
   50   1HD2  ASN   7          HD2       ASN   7   0.673  15.947 -12.206
   51   2HD2  ASN   7          HD2       ASN   7   2.156  15.096 -11.928
   52    HA   PRO   8           HA       PRO   8   2.940  21.234 -10.005
   53   1HB   PRO   8          HB1       PRO   8   5.026  21.510  -8.262
   54   2HB   PRO   8          HB2       PRO   8   3.482  22.308  -8.042
   55   1HG   PRO   8          HG1       PRO   8   4.574  19.960  -6.617
   56   2HG   PRO   8          HG2       PRO   8   3.259  21.017  -6.144
   57   1HD   PRO   8          HD1       PRO   8   3.029  18.377  -7.241
   58   2HD   PRO   8          HD2       PRO   8   1.716  19.478  -6.877
   59    H    GLY   9           H        GLY   9   5.047  18.757  -8.607
   60   1HA   GLY   9          HA1       GLY   9   5.879  17.329 -10.608
   61   2HA   GLY   9          HA2       GLY   9   6.619  18.844 -11.086
   62    H    GLU  10           H        GLU  10   6.179  17.029  -7.956
   63    HA   GLU  10           HA       GLU  10   8.867  16.447  -7.694
   64   1HB   GLU  10          HB1       GLU  10   8.143  19.161  -6.877
   65   2HB   GLU  10          HB2       GLU  10   8.752  18.247  -5.512
   66   1HG   GLU  10          HG1       GLU  10  10.882  18.221  -6.332
   67   2HG   GLU  10          HG2       GLU  10  10.352  17.776  -7.941
   68    H    ASP  11           H        ASP  11   7.214  14.597  -7.345
   69    HA   ASP  11           HA       ASP  11   6.451  13.087  -5.983
   70   1HB   ASP  11          HB1       ASP  11   8.401  14.188  -4.455
   71   2HB   ASP  11          HB2       ASP  11   7.025  14.640  -3.468
   72    H    ALA  12           H        ALA  12   4.203  13.355  -6.411
   73    HA   ALA  12           HA       ALA  12   2.792  15.173  -4.580
   74   1HB   ALA  12          HB1       ALA  12   1.802  16.147  -6.347
   75   2HB   ALA  12          HB2       ALA  12   2.918  15.249  -7.402
   76   3HB   ALA  12          HB3       ALA  12   1.322  14.567  -7.010
   77    HA   PRO  13           HA       PRO  13   0.444  11.724  -3.443
   78   1HB   PRO  13          HB1       PRO  13  -2.026  12.771  -2.919
   79   2HB   PRO  13          HB2       PRO  13  -0.678  12.894  -1.807
   80   1HG   PRO  13          HG1       PRO  13  -1.832  14.977  -3.557
   81   2HG   PRO  13          HG2       PRO  13  -0.794  15.170  -2.159
   82   1HD   PRO  13          HD1       PRO  13  -0.022  15.390  -4.912
   83   2HD   PRO  13          HD2       PRO  13   1.036  15.467  -3.518
   84    H    ALA  14           H        ALA  14  -1.478  10.274  -3.815
   85    HA   ALA  14           HA       ALA  14  -2.980   9.359  -5.205
   86   1HB   ALA  14          HB1       ALA  14  -3.049  11.970  -6.078
   87   2HB   ALA  14          HB2       ALA  14  -2.539  11.107  -7.549
   88   3HB   ALA  14          HB3       ALA  14  -4.052  10.652  -6.729
   89    H    GLU  15           H        GLU  15  -0.074  10.712  -6.910
   90    HA   GLU  15           HA       GLU  15   0.140   8.277  -8.405
   91   1HB   GLU  15          HB1       GLU  15   0.706  10.801  -9.096
   92   2HB   GLU  15          HB2       GLU  15   2.274  10.407  -8.420
   93   1HG   GLU  15          HG1       GLU  15   2.389   8.385  -9.914
   94   2HG   GLU  15          HG2       GLU  15   0.845   8.830 -10.613
   95    H    ASP  16           H        ASP  16   0.946   9.240  -5.289
   96    HA   ASP  16           HA       ASP  16   3.419   7.724  -5.293
   97   1HB   ASP  16          HB1       ASP  16   3.592   9.866  -4.173
   98   2HB   ASP  16          HB2       ASP  16   2.103   9.600  -3.288
   99    H    LEU  17           H        LEU  17   0.019   7.732  -4.346
  100    HA   LEU  17           HA       LEU  17   0.278   5.713  -2.337
  101   1HB   LEU  17          HB1       LEU  17  -1.594   7.612  -2.999
  102   2HB   LEU  17          HB2       LEU  17  -2.354   6.136  -3.559
  103    HG   LEU  17           HG       LEU  17  -1.491   5.387  -1.062
  104   1HD1  LEU  17          HD1       LEU  17  -1.606   8.305  -1.110
  105   2HD1  LEU  17          HD1       LEU  17  -2.675   7.587   0.120
  106   3HD1  LEU  17          HD1       LEU  17  -0.939   7.198   0.114
  107   1HD2  LEU  17          HD2       LEU  17  -4.081   6.398  -0.677
  108   2HD2  LEU  17          HD2       LEU  17  -3.983   5.967  -2.401
  109   3HD2  LEU  17          HD2       LEU  17  -3.614   4.749  -1.157
  110    H    ALA  18           H        ALA  18   0.326   5.798  -5.782
  111    HA   ALA  18           HA       ALA  18  -1.010   3.446  -6.412
  112   1HB   ALA  18          HB1       ALA  18  -0.171   3.829  -8.509
  113   2HB   ALA  18          HB2       ALA  18   0.225   5.413  -7.799
  114   3HB   ALA  18          HB3       ALA  18   1.474   4.150  -7.910
  115    H    ARG  19           H        ARG  19   2.460   4.043  -5.543
  116    HA   ARG  19           HA       ARG  19   3.278   1.449  -5.848
  117   1HB   ARG  19          HB1       ARG  19   5.207   2.087  -4.457
  118   2HB   ARG  19          HB2       ARG  19   4.785   3.429  -5.503
  119   1HG   ARG  19          HG1       ARG  19   4.554   4.756  -3.682
  120   2HG   ARG  19          HG2       ARG  19   3.213   3.763  -3.144
  121   1HD   ARG  19          HD1       ARG  19   4.752   3.678  -1.329
  122   2HD   ARG  19          HD2       ARG  19   4.998   2.153  -2.157
  123    HE   ARG  19           HE       ARG  19   6.831   3.766  -3.407
  124   1HH1  ARG  19          HH1       ARG  19   9.388   4.034  -1.048
  125   2HH1  ARG  19          HH1       ARG  19   8.977   4.157  -2.726
  126   1HH2  ARG  19          HH2       ARG  19   7.760   3.471   0.508
  127   2HH2  ARG  19          HH2       ARG  19   6.134   3.174  -0.009
  128    H    TYR  20           H        TYR  20   1.247   2.929  -3.416
  129    HA   TYR  20           HA       TYR  20   1.732   0.785  -1.502
  130   1HB   TYR  20          HB1       TYR  20   1.503   2.926  -0.457
  131   2HB   TYR  20          HB2       TYR  20   0.394   3.506  -1.683
  132    HD1  TYR  20           HD1      TYR  20   0.634   1.234   1.265
  133    HD2  TYR  20           HD2      TYR  20  -1.944   3.455  -1.329
  134    HE1  TYR  20           HE1      TYR  20  -1.329   0.777   2.814
  135    HE2  TYR  20           HE2      TYR  20  -3.899   2.990   0.229
  136    HH   TYR  20           HH       TYR  20  -3.798   2.340   3.100
  137    H    TYR  21           H        TYR  21  -0.268   1.479  -4.206
  138    HA   TYR  21           HA       TYR  21  -2.471  -0.125  -3.142
  139   1HB   TYR  21          HB1       TYR  21  -1.991   2.075  -5.060
  140   2HB   TYR  21          HB2       TYR  21  -2.846   0.768  -5.856
  141    HD1  TYR  21           HD1      TYR  21  -4.915  -0.200  -4.429
  142    HD2  TYR  21           HD2      TYR  21  -3.254   3.722  -4.022
  143    HE1  TYR  21           HE1      TYR  21  -7.100   0.629  -3.428
  144    HE2  TYR  21           HE2      TYR  21  -5.444   4.537  -3.022
  145    HH   TYR  21           HH       TYR  21  -7.486   2.990  -1.656
  146    H    SER  22           H        SER  22   0.222  -0.139  -5.455
  147    HA   SER  22           HA       SER  22  -0.810  -2.400  -6.846
  148   1HB   SER  22          HB1       SER  22   0.892  -0.443  -7.582
  149   2HB   SER  22          HB2       SER  22   2.085  -1.599  -7.024
  150    HG   SER  22           HG       SER  22   0.058  -2.660  -8.689
  151    H    ALA  23           H        ALA  23   1.424  -1.697  -4.158
  152    HA   ALA  23           HA       ALA  23   2.457  -4.386  -4.110
  153   1HB   ALA  23          HB1       ALA  23   3.304  -3.294  -1.798
  154   2HB   ALA  23          HB2       ALA  23   4.084  -2.950  -3.360
  155   3HB   ALA  23          HB3       ALA  23   2.909  -1.799  -2.679
  156    H    LEU  24           H        LEU  24  -0.263  -2.576  -2.844
  157    HA   LEU  24           HA       LEU  24  -0.712  -4.059  -0.512
  158   1HB   LEU  24          HB1       LEU  24  -2.230  -2.490  -0.273
  159   2HB   LEU  24          HB2       LEU  24  -1.877  -1.909  -1.889
  160    HG   LEU  24           HG       LEU  24  -4.231  -2.228  -1.722
  161   1HD1  LEU  24          HD1       LEU  24  -4.082  -4.630  -3.243
  162   2HD1  LEU  24          HD1       LEU  24  -4.248  -2.953  -3.815
  163   3HD1  LEU  24          HD1       LEU  24  -2.630  -3.663  -3.596
  164   1HD2  LEU  24          HD2       LEU  24  -5.175  -3.719  -0.382
  165   2HD2  LEU  24          HD2       LEU  24  -4.499  -5.059  -1.340
  166   3HD2  LEU  24          HD2       LEU  24  -3.563  -4.366   0.006
  167    H    ARG  25           H        ARG  25  -0.793  -4.963  -3.820
  168    HA   ARG  25           HA       ARG  25  -2.880  -6.871  -3.497
  169   1HB   ARG  25          HB1       ARG  25  -2.153  -5.637  -5.683
  170   2HB   ARG  25          HB2       ARG  25  -0.835  -6.790  -5.758
  171   1HG   ARG  25          HG1       ARG  25  -2.387  -7.991  -6.981
  172   2HG   ARG  25          HG2       ARG  25  -2.838  -8.558  -5.385
  173   1HD   ARG  25          HD1       ARG  25  -4.724  -7.091  -5.258
  174   2HD   ARG  25          HD2       ARG  25  -4.122  -6.056  -6.537
  175    HE   ARG  25           HE       ARG  25  -5.649  -8.509  -6.873
  176   1HH1  ARG  25          HH1       ARG  25  -5.279  -8.561 -10.342
  177   2HH1  ARG  25          HH1       ARG  25  -6.148  -9.208  -8.991
  178   1HH2  ARG  25          HH2       ARG  25  -3.608  -6.987 -10.003
  179   2HH2  ARG  25          HH2       ARG  25  -3.230  -6.458  -8.397
  180    H    HIS  26           H        HIS  26   0.678  -7.064  -4.287
  181    HA   HIS  26           HA       HIS  26   0.871  -9.801  -3.909
  182   1HB   HIS  26          HB1       HIS  26   2.505  -7.846  -4.836
  183   2HB   HIS  26          HB2       HIS  26   3.242  -8.132  -3.272
  184    HD1  HIS  26           HD1      HIS  26   4.841  -8.858  -5.760
  185    HD2  HIS  26           HD2      HIS  26   2.291 -11.556  -3.808
  186    HE1  HIS  26           HE1      HIS  26   5.647 -11.193  -6.399
  187    H    TYR  27           H        TYR  27   0.605  -7.152  -1.628
  188    HA   TYR  27           HA       TYR  27   1.747  -8.632   0.559
  189   1HB   TYR  27          HB1       TYR  27   1.941  -6.261   0.750
  190   2HB   TYR  27          HB2       TYR  27   0.418  -5.980  -0.069
  191    HD1  TYR  27           HD1      TYR  27   0.954  -8.182   2.892
  192    HD2  TYR  27           HD2      TYR  27  -0.634  -4.486   1.435
  193    HE1  TYR  27           HE1      TYR  27  -0.181  -7.778   5.131
  194    HE2  TYR  27           HE2      TYR  27  -1.764  -4.095   3.679
  195    HH   TYR  27           HH       TYR  27  -0.931  -5.646   6.408
  196    H    ILE  28           H        ILE  28  -1.526  -7.764  -0.678
  197    HA   ILE  28           HA       ILE  28  -2.777  -9.074   1.564
  198    HB   ILE  28           HB       ILE  28  -3.761  -7.616  -0.874
  199   1HG1  ILE  28          1HG1      ILE  28  -2.880  -6.316   1.055
  200   2HG1  ILE  28          2HG1      ILE  28  -4.565  -5.995   0.695
  201   1HG2  ILE  28          1HG2      ILE  28  -6.067  -7.935   0.104
  202   2HG2  ILE  28          2HG2      ILE  28  -5.345  -9.368  -0.666
  203   3HG2  ILE  28          3HG2      ILE  28  -5.375  -9.231   1.108
  204   1HD1  ILE  28          1HD1      ILE  28  -3.483  -7.782   2.918
  205   2HD1  ILE  28          2HD1      ILE  28  -4.348  -6.237   3.103
  206   3HD1  ILE  28          3HD1      ILE  28  -5.208  -7.671   2.492
  207    H    ASN  29           H        ASN  29  -1.261 -10.052  -1.303
  208    HA   ASN  29           HA       ASN  29  -2.947 -11.894  -2.365
  209   1HB   ASN  29          HB1       ASN  29  -0.563 -11.195  -3.116
  210   2HB   ASN  29          HB2       ASN  29   0.048 -12.358  -1.956
  211   1HD2  ASN  29          HD2       ASN  29   0.575 -12.522  -4.657
  212   2HD2  ASN  29          HD2       ASN  29  -0.182 -13.923  -5.338
  213    H    LEU  30           H        LEU  30  -1.038 -11.929   0.644
  214    HA   LEU  30           HA       LEU  30  -1.185 -14.730   1.070
  215   1HB   LEU  30          HB1       LEU  30   0.467 -14.072   2.380
  216   2HB   LEU  30          HB2       LEU  30  -0.048 -12.397   2.333
  217    HG   LEU  30           HG       LEU  30  -1.732 -12.943   4.131
  218   1HD1  LEU  30          HD1       LEU  30  -0.280 -15.306   5.055
  219   2HD1  LEU  30          HD1       LEU  30  -2.030 -14.996   4.951
  220   3HD1  LEU  30          HD1       LEU  30  -1.141 -15.570   3.519
  221   1HD2  LEU  30          HD2       LEU  30   0.851 -12.155   4.321
  222   2HD2  LEU  30          HD2       LEU  30  -0.261 -12.292   5.705
  223   3HD2  LEU  30          HD2       LEU  30   0.880 -13.611   5.345
  224    H    ALA  31           H        ALA  31  -3.466 -12.149   1.235
  225    HA   ALA  31           HA       ALA  31  -5.066 -13.443   3.276
  226   1HB   ALA  31          HB1       ALA  31  -6.362 -11.269   1.857
  227   2HB   ALA  31          HB2       ALA  31  -5.856 -11.359   3.561
  228   3HB   ALA  31          HB3       ALA  31  -4.707 -10.805   2.320
  229   1HN   AIB  32          1HN       AIB  32  -4.901 -15.402   1.593
  230   1HB1  AIB  32          1HB1      AIB  32  -5.813 -17.882   0.528
  231   2HB1  AIB  32          2HB1      AIB  32  -4.571 -16.855  -0.237
  232   3HB1  AIB  32          3HB1      AIB  32  -5.935 -17.449  -1.201
  233   1HB2  AIB  32          1HB2      AIB  32  -7.054 -15.619  -1.921
  234   2HB2  AIB  32          2HB2      AIB  32  -6.143 -14.236  -1.292
  235   3HB2  AIB  32          3HB2      AIB  32  -7.846 -14.466  -0.811
  236    H    ARG  33           H        ARG  33  -6.731 -16.575   2.730
  237    HA   ARG  33           HA       ARG  33  -9.606 -16.783   2.397
  238   1HB   ARG  33          HB1       ARG  33  -8.187 -18.798   4.148
  239   2HB   ARG  33          HB2       ARG  33  -9.719 -18.955   3.310
  240   1HG   ARG  33          HG1       ARG  33  -7.023 -18.812   1.881
  241   2HG   ARG  33          HG2       ARG  33  -7.812 -20.317   2.311
  242   1HD   ARG  33          HD1       ARG  33  -9.502 -18.340   0.818
  243   2HD   ARG  33          HD2       ARG  33  -8.184 -19.057  -0.088
  244    HE   ARG  33           HE       ARG  33 -10.603 -20.404   0.801
  245   1HH1  ARG  33          HH1       ARG  33  -9.504 -23.570  -0.172
  246   2HH1  ARG  33          HH1       ARG  33 -10.870 -22.619   0.307
  247   1HH2  ARG  33          HH2       ARG  33  -7.403 -22.594  -0.313
  248   2HH2  ARG  33          HH2       ARG  33  -7.201 -20.915   0.061
  249    H    GLN  34           H        GLN  34  -6.752 -16.684   4.619
  250    HA   GLN  34           HA       GLN  34  -7.976 -16.339   6.985
  251   1HB   GLN  34          HB1       GLN  34  -5.443 -15.099   5.857
  252   2HB   GLN  34          HB2       GLN  34  -5.927 -14.816   7.517
  253   1HG   GLN  34          HG1       GLN  34  -5.514 -17.574   6.267
  254   2HG   GLN  34          HG2       GLN  34  -4.348 -16.754   7.286
  255   1HE2  GLN  34          1HE2      GLN  34  -6.385 -19.168   7.343
  256   2HE2  GLN  34          2HE2      GLN  34  -7.000 -19.131   8.962
  257    H    ARG  35           H        ARG  35  -7.967 -14.152   4.240
  258    HA   ARG  35           HA       ARG  35  -8.793 -11.944   5.882
  259   1HB   ARG  35          HB1       ARG  35  -7.499 -12.219   3.358
  260   2HB   ARG  35          HB2       ARG  35  -9.062 -11.514   2.994
  261   1HG   ARG  35          HG1       ARG  35  -7.344  -9.765   3.457
  262   2HG   ARG  35          HG2       ARG  35  -8.674  -9.686   4.595
  263   1HD   ARG  35          HD1       ARG  35  -6.846 -11.491   5.785
  264   2HD   ARG  35          HD2       ARG  35  -5.832 -10.236   5.100
  265    HE   ARG  35           HE       ARG  35  -7.838  -8.794   6.345
  266   1HH1  ARG  35          HH1       ARG  35  -6.832  -8.910   9.685
  267   2HH1  ARG  35          HH1       ARG  35  -7.786  -8.066   8.511
  268   1HH2  ARG  35          HH2       ARG  35  -5.608 -10.780   9.059
  269   2HH2  ARG  35          HH2       ARG  35  -5.648 -11.331   7.418
  270    H    TYR  36           H        TYR  36 -10.488 -14.359   5.791
  271    HA   TYR  36           HA       TYR  36 -12.946 -13.069   4.998
  272   1HB   TYR  36          HB1       TYR  36 -12.798 -14.195   2.944
  273   2HB   TYR  36          HB2       TYR  36 -11.508 -15.232   3.522
  274    HD1  TYR  36           HD1      TYR  36 -11.935 -17.502   3.819
  275    HD2  TYR  36           HD2      TYR  36 -15.209 -14.750   3.911
  276    HE1  TYR  36           HE1      TYR  36 -13.571 -19.443   3.970
  277    HE2  TYR  36           HE2      TYR  36 -16.834 -16.700   4.062
  278    HH   TYR  36           HH       TYR  36 -15.648 -20.046   3.967
  279   1HN   NH2  37          HN1       NH2 237 -11.513 -16.228   5.870
  280   2HN   NH2  37          HN2       NH2 237 -12.575 -16.569   7.195
  Start of MODEL   26
    1    H    TYR   1           H        TYR   1  17.898  27.102 -14.578
    2    HA   TYR   1           HA       TYR   1  16.889  26.157 -12.216
    3   1HB   TYR   1          HB1       TYR   1  14.684  27.368 -13.966
    4   2HB   TYR   1          HB2       TYR   1  14.538  26.823 -12.307
    5    HD1  TYR   1           HD1      TYR   1  16.485  28.158 -10.758
    6    HD2  TYR   1           HD2      TYR   1  14.398  29.652 -14.181
    7    HE1  TYR   1           HE1      TYR   1  16.850  30.541  -9.950
    8    HE2  TYR   1           HE2      TYR   1  14.770  32.030 -13.361
    9    HH   TYR   1           HH       TYR   1  16.211  33.245 -11.967
   10    HA   PRO   2           HA       PRO   2  16.145  22.848 -14.899
   11   1HB   PRO   2          HB1       PRO   2  14.501  21.247 -13.414
   12   2HB   PRO   2          HB2       PRO   2  16.236  21.319 -13.179
   13   1HG   PRO   2          HG1       PRO   2  14.090  22.492 -11.518
   14   2HG   PRO   2          HG2       PRO   2  15.763  22.185 -11.095
   15   1HD   PRO   2          HD1       PRO   2  14.596  24.722 -11.752
   16   2HD   PRO   2          HD2       PRO   2  16.290  24.396 -11.442
   17    H    SER   3           H        SER   3  14.137  21.201 -15.546
   18    HA   SER   3           HA       SER   3  12.526  23.023 -17.006
   19   1HB   SER   3          HB1       SER   3  13.441  20.609 -17.632
   20   2HB   SER   3          HB2       SER   3  11.976  20.054 -16.847
   21    HG   SER   3           HG       SER   3  11.191  22.045 -18.446
   22    H    LYS   4           H        LYS   4  10.066  22.834 -17.036
   23    HA   LYS   4           HA       LYS   4   8.159  23.132 -15.955
   24   1HB   LYS   4          HB1       LYS   4   8.732  20.798 -14.164
   25   2HB   LYS   4          HB2       LYS   4   7.247  21.242 -14.982
   26   1HG   LYS   4          HG1       LYS   4   9.772  20.203 -16.356
   27   2HG   LYS   4          HG2       LYS   4   8.335  19.253 -16.033
   28   1HD   LYS   4          HD1       LYS   4   7.706  21.769 -17.441
   29   2HD   LYS   4          HD2       LYS   4   8.834  20.776 -18.342
   30   1HE   LYS   4          HE1       LYS   4   7.290  19.087 -18.698
   31   2HE   LYS   4          HE2       LYS   4   6.523  19.307 -17.138
   32   1HZ   LYS   4          HZ1       LYS   4   6.239  21.201 -19.365
   33   2HZ   LYS   4          HZ2       LYS   4   5.166  20.015 -19.034
   34   3HZ   LYS   4          HZ3       LYS   4   5.412  21.218 -17.956
   35    HA   PRO   5           HA       PRO   5   9.893  25.373 -12.513
   36   1HB   PRO   5          HB1       PRO   5   8.666  27.756 -13.043
   37   2HB   PRO   5          HB2       PRO   5  10.255  27.340 -13.652
   38   1HG   PRO   5          HG1       PRO   5   7.678  27.419 -15.098
   39   2HG   PRO   5          HG2       PRO   5   9.304  27.427 -15.752
   40   1HD   PRO   5          HD1       PRO   5   7.494  25.202 -15.680
   41   2HD   PRO   5          HD2       PRO   5   9.159  25.182 -16.227
   42    H    ASP   6           H        ASP   6   6.582  25.265 -13.619
   43    HA   ASP   6           HA       ASP   6   5.395  26.157 -11.336
   44   1HB   ASP   6          HB1       ASP   6   4.532  25.166 -13.733
   45   2HB   ASP   6          HB2       ASP   6   4.148  23.797 -12.707
   46    H    ASN   7           H        ASN   7   6.092  22.723 -12.363
   47    HA   ASN   7           HA       ASN   7   6.154  22.053  -9.527
   48   1HB   ASN   7          HB1       ASN   7   5.320  19.737 -10.269
   49   2HB   ASN   7          HB2       ASN   7   4.139  21.026 -10.398
   50   1HD2  ASN   7          HD2       ASN   7   3.438  19.075 -11.840
   51   2HD2  ASN   7          HD2       ASN   7   3.798  19.227 -13.527
   52    HA   PRO   8           HA       PRO   8  10.114  20.842 -11.271
   53   1HB   PRO   8          HB1       PRO   8  11.580  21.148  -8.985
   54   2HB   PRO   8          HB2       PRO   8  11.327  22.440 -10.141
   55   1HG   PRO   8          HG1       PRO   8  10.080  22.055  -7.488
   56   2HG   PRO   8          HG2       PRO   8  10.173  23.513  -8.456
   57   1HD   PRO   8          HD1       PRO   8   7.884  21.816  -8.125
   58   2HD   PRO   8          HD2       PRO   8   8.013  23.207  -9.182
   59    H    GLY   9           H        GLY   9   9.279  19.834  -7.983
   60   1HA   GLY   9          HA1       GLY   9   8.630  17.314  -8.215
   61   2HA   GLY   9          HA2       GLY   9  10.329  17.173  -8.621
   62    H    GLU  10           H        GLU  10   8.184  18.716  -6.123
   63    HA   GLU  10           HA       GLU  10  10.334  18.363  -4.219
   64   1HB   GLU  10          HB1       GLU  10   7.694  19.647  -3.522
   65   2HB   GLU  10          HB2       GLU  10   9.294  20.008  -2.906
   66   1HG   GLU  10          HG1       GLU  10   9.165  21.793  -4.344
   67   2HG   GLU  10          HG2       GLU  10   9.695  20.621  -5.534
   68    H    ASP  11           H        ASP  11   6.741  17.786  -4.407
   69    HA   ASP  11           HA       ASP  11   7.209  15.258  -3.099
   70   1HB   ASP  11          HB1       ASP  11   5.398  15.657  -1.457
   71   2HB   ASP  11          HB2       ASP  11   6.699  16.811  -1.246
   72    H    ALA  12           H        ALA  12   5.536  13.701  -3.661
   73    HA   ALA  12           HA       ALA  12   3.176  14.601  -5.026
   74   1HB   ALA  12          HB1       ALA  12   5.536  13.426  -6.482
   75   2HB   ALA  12          HB2       ALA  12   3.889  13.023  -7.023
   76   3HB   ALA  12          HB3       ALA  12   4.424  14.721  -6.986
   77    HA   PRO  13           HA       PRO  13   2.715  10.795  -2.701
   78   1HB   PRO  13          HB1       PRO  13   0.397  11.475  -1.422
   79   2HB   PRO  13          HB2       PRO  13   1.986  11.750  -0.737
   80   1HG   PRO  13          HG1       PRO  13   0.122  13.706  -1.937
   81   2HG   PRO  13          HG2       PRO  13   1.492  13.998  -0.884
   82   1HD   PRO  13          HD1       PRO  13   1.391  14.403  -3.722
   83   2HD   PRO  13          HD2       PRO  13   2.793  14.585  -2.686
   84    H    ALA  14           H        ALA  14   0.953  12.410  -5.059
   85    HA   ALA  14           HA       ALA  14  -1.214  10.655  -5.299
   86   1HB   ALA  14          HB1       ALA  14   0.086  12.083  -7.625
   87   2HB   ALA  14          HB2       ALA  14  -1.642  11.807  -7.300
   88   3HB   ALA  14          HB3       ALA  14  -0.735  13.001  -6.341
   89    H    GLU  15           H        GLU  15   2.178  10.542  -6.420
   90    HA   GLU  15           HA       GLU  15   1.637   8.264  -8.060
   91   1HB   GLU  15          HB1       GLU  15   3.472  10.196  -8.298
   92   2HB   GLU  15          HB2       GLU  15   4.428   9.118  -7.301
   93   1HG   GLU  15          HG1       GLU  15   3.612   7.269  -9.049
   94   2HG   GLU  15          HG2       GLU  15   3.337   8.656 -10.084
   95    H    ASP  16           H        ASP  16   2.085   8.838  -4.735
   96    HA   ASP  16           HA       ASP  16   3.554   6.436  -4.238
   97   1HB   ASP  16          HB1       ASP  16   3.467   8.715  -2.871
   98   2HB   ASP  16          HB2       ASP  16   2.040   8.010  -2.136
   99    H    LEU  17           H        LEU  17   0.211   7.779  -3.866
  100    HA   LEU  17           HA       LEU  17  -1.022   5.838  -2.450
  101   1HB   LEU  17          HB1       LEU  17  -1.766   8.029  -3.943
  102   2HB   LEU  17          HB2       LEU  17  -2.567   6.713  -4.779
  103    HG   LEU  17           HG       LEU  17  -4.005   7.776  -3.095
  104   1HD1  LEU  17          HD1       LEU  17  -3.806   5.231  -1.740
  105   2HD1  LEU  17          HD1       LEU  17  -5.050   5.832  -2.862
  106   3HD1  LEU  17          HD1       LEU  17  -3.592   5.031  -3.495
  107   1HD2  LEU  17          HD2       LEU  17  -2.791   6.638  -0.720
  108   2HD2  LEU  17          HD2       LEU  17  -1.705   7.805  -1.512
  109   3HD2  LEU  17          HD2       LEU  17  -3.348   8.298  -1.038
  110    H    ALA  18           H        ALA  18  -0.464   5.826  -6.037
  111    HA   ALA  18           HA       ALA  18  -1.613   3.339  -6.493
  112   1HB   ALA  18          HB1       ALA  18   0.487   3.664  -8.339
  113   2HB   ALA  18          HB2       ALA  18  -1.206   4.176  -8.541
  114   3HB   ALA  18          HB3       ALA  18  -0.001   5.317  -7.897
  115    H    ARG  19           H        ARG  19   1.783   4.287  -5.678
  116    HA   ARG  19           HA       ARG  19   2.862   1.784  -5.929
  117   1HB   ARG  19          HB1       ARG  19   3.644   3.959  -3.921
  118   2HB   ARG  19          HB2       ARG  19   4.679   2.646  -4.445
  119   1HG   ARG  19          HG1       ARG  19   3.505   4.244  -6.669
  120   2HG   ARG  19          HG2       ARG  19   4.587   5.146  -5.626
  121   1HD   ARG  19          HD1       ARG  19   6.406   3.561  -6.006
  122   2HD   ARG  19          HD2       ARG  19   5.337   2.440  -6.825
  123    HE   ARG  19           HE       ARG  19   5.170   4.904  -8.224
  124   1HH1  ARG  19          HH1       ARG  19   7.765   4.344 -10.488
  125   2HH1  ARG  19          HH1       ARG  19   6.348   5.279 -10.145
  126   1HH2  ARG  19          HH2       ARG  19   8.467   2.711  -8.996
  127   2HH2  ARG  19          HH2       ARG  19   7.574   2.427  -7.539
  128    H    TYR  20           H        TYR  20   0.764   3.164  -3.459
  129    HA   TYR  20           HA       TYR  20   1.438   1.121  -1.513
  130   1HB   TYR  20          HB1       TYR  20   0.926   3.252  -0.548
  131   2HB   TYR  20          HB2       TYR  20  -0.233   3.641  -1.803
  132    HD1  TYR  20           HD1      TYR  20  -2.474   3.684  -1.212
  133    HD2  TYR  20           HD2      TYR  20   0.184   1.144   0.975
  134    HE1  TYR  20           HE1      TYR  20  -4.373   3.027   0.347
  135    HE2  TYR  20           HE2      TYR  20  -1.723   0.496   2.526
  136    HH   TYR  20           HH       TYR  20  -4.395   2.169   2.892
  137    H    TYR  21           H        TYR  21  -0.661   1.528  -4.227
  138    HA   TYR  21           HA       TYR  21  -2.604  -0.367  -3.133
  139   1HB   TYR  21          HB1       TYR  21  -2.467   1.884  -5.047
  140   2HB   TYR  21          HB2       TYR  21  -3.146   0.474  -5.836
  141    HD1  TYR  21           HD1      TYR  21  -4.752  -0.799  -3.754
  142    HD2  TYR  21           HD2      TYR  21  -4.211   3.359  -4.606
  143    HE1  TYR  21           HE1      TYR  21  -7.014  -0.284  -2.714
  144    HE2  TYR  21           HE2      TYR  21  -6.475   3.860  -3.564
  145    HH   TYR  21           HH       TYR  21  -8.076   1.712  -1.615
  146    H    SER  22           H        SER  22  -0.067   0.051  -5.615
  147    HA   SER  22           HA       SER  22  -0.750  -2.209  -7.094
  148   1HB   SER  22          HB1       SER  22   1.664  -0.437  -6.829
  149   2HB   SER  22          HB2       SER  22   1.888  -1.984  -7.621
  150    HG   SER  22           HG       SER  22   0.404   0.284  -8.458
  151    H    ALA  23           H        ALA  23   1.358  -1.637  -4.238
  152    HA   ALA  23           HA       ALA  23   2.343  -4.335  -4.250
  153   1HB   ALA  23          HB1       ALA  23   3.907  -3.434  -2.905
  154   2HB   ALA  23          HB2       ALA  23   3.121  -1.859  -3.168
  155   3HB   ALA  23          HB3       ALA  23   2.674  -2.852  -1.760
  156    H    LEU  24           H        LEU  24  -0.542  -2.721  -3.279
  157    HA   LEU  24           HA       LEU  24  -1.112  -4.250  -0.969
  158   1HB   LEU  24          HB1       LEU  24  -2.487  -2.306  -2.713
  159   2HB   LEU  24          HB2       LEU  24  -3.536  -3.448  -1.897
  160    HG   LEU  24           HG       LEU  24  -2.747  -1.082  -0.854
  161   1HD1  LEU  24          HD1       LEU  24  -3.417  -3.625   0.648
  162   2HD1  LEU  24          HD1       LEU  24  -3.447  -1.991   1.352
  163   3HD1  LEU  24          HD1       LEU  24  -4.553  -2.406   0.021
  164   1HD2  LEU  24          HD2       LEU  24  -0.951  -1.183   0.585
  165   2HD2  LEU  24          HD2       LEU  24  -0.977  -2.960   0.674
  166   3HD2  LEU  24          HD2       LEU  24  -0.363  -2.151  -0.788
  167    H    ARG  25           H        ARG  25  -0.837  -5.077  -4.262
  168    HA   ARG  25           HA       ARG  25  -2.874  -7.105  -4.069
  169   1HB   ARG  25          HB1       ARG  25  -2.482  -5.691  -6.178
  170   2HB   ARG  25          HB2       ARG  25  -0.964  -6.541  -6.390
  171   1HG   ARG  25          HG1       ARG  25  -2.161  -8.084  -7.561
  172   2HG   ARG  25          HG2       ARG  25  -2.748  -8.643  -6.007
  173   1HD   ARG  25          HD1       ARG  25  -4.675  -7.035  -6.170
  174   2HD   ARG  25          HD2       ARG  25  -4.095  -6.513  -7.739
  175    HE   ARG  25           HE       ARG  25  -4.489  -9.418  -7.524
  176   1HH1  ARG  25          HH1       ARG  25  -7.283  -9.349  -9.613
  177   2HH1  ARG  25          HH1       ARG  25  -6.111 -10.357  -8.831
  178   1HH2  ARG  25          HH2       ARG  25  -7.206  -7.047  -9.332
  179   2HH2  ARG  25          HH2       ARG  25  -5.977  -6.335  -8.341
  180    H    HIS  26           H        HIS  26   0.576  -6.622  -3.704
  181    HA   HIS  26           HA       HIS  26   1.124  -9.451  -4.048
  182   1HB   HIS  26          HB1       HIS  26   2.563  -7.143  -4.607
  183   2HB   HIS  26          HB2       HIS  26   3.326  -7.742  -3.148
  184    HD1  HIS  26           HD1      HIS  26   4.744  -9.883  -3.317
  185    HD2  HIS  26           HD2      HIS  26   2.745  -8.906  -6.874
  186    HE1  HIS  26           HE1      HIS  26   5.719 -11.397  -5.125
  187    H    TYR  27           H        TYR  27   0.584  -6.986  -1.579
  188    HA   TYR  27           HA       TYR  27   1.704  -8.618   0.522
  189   1HB   TYR  27          HB1       TYR  27   1.612  -6.009   0.261
  190   2HB   TYR  27          HB2       TYR  27  -0.107  -6.130   0.581
  191    HD1  TYR  27           HD1      TYR  27   3.199  -6.023   2.035
  192    HD2  TYR  27           HD2      TYR  27  -0.883  -7.030   2.824
  193    HE1  TYR  27           HE1      TYR  27   3.649  -5.919   4.536
  194    HE2  TYR  27           HE2      TYR  27  -0.420  -6.922   5.322
  195    HH   TYR  27           HH       TYR  27   1.314  -7.034   6.835
  196    H    ILE  28           H        ILE  28  -1.467  -7.890  -0.940
  197    HA   ILE  28           HA       ILE  28  -2.905  -9.089   1.235
  198    HB   ILE  28           HB       ILE  28  -3.714  -8.080  -1.490
  199   1HG1  ILE  28          1HG1      ILE  28  -4.218  -6.939   1.274
  200   2HG1  ILE  28          2HG1      ILE  28  -2.944  -6.403   0.196
  201   1HG2  ILE  28          1HG2      ILE  28  -5.175  -9.753   0.417
  202   2HG2  ILE  28          2HG2      ILE  28  -6.018  -8.239   0.011
  203   3HG2  ILE  28          3HG2      ILE  28  -5.531  -9.361  -1.282
  204   1HD1  ILE  28          1HD1      ILE  28  -4.457  -4.965  -0.693
  205   2HD1  ILE  28          2HD1      ILE  28  -5.242  -6.383  -1.430
  206   3HD1  ILE  28          3HD1      ILE  28  -5.806  -5.770   0.143
  207    H    ASN  29           H        ASN  29  -1.060 -10.212  -1.423
  208    HA   ASN  29           HA       ASN  29  -2.530 -12.316  -2.339
  209   1HB   ASN  29          HB1       ASN  29  -0.279 -11.516  -3.213
  210   2HB   ASN  29          HB2       ASN  29   0.493 -12.274  -1.835
  211   1HD2  ASN  29          HD2       ASN  29  -1.691 -12.914  -4.555
  212   2HD2  ASN  29          HD2       ASN  29  -1.192 -14.542  -4.869
  213    H    LEU  30           H        LEU  30  -1.125 -11.729   0.797
  214    HA   LEU  30           HA       LEU  30  -1.086 -14.566   1.472
  215   1HB   LEU  30          HB1       LEU  30   0.021 -12.072   2.715
  216   2HB   LEU  30          HB2       LEU  30  -0.225 -13.505   3.693
  217    HG   LEU  30           HG       LEU  30   1.618 -13.154   1.328
  218   1HD1  LEU  30          HD1       LEU  30   3.109 -12.747   2.918
  219   2HD1  LEU  30          HD1       LEU  30   1.918 -13.100   4.193
  220   3HD1  LEU  30          HD1       LEU  30   2.892 -14.416   3.496
  221   1HD2  LEU  30          HD2       LEU  30   0.481 -15.677   2.467
  222   2HD2  LEU  30          HD2       LEU  30   0.876 -15.253   0.784
  223   3HD2  LEU  30          HD2       LEU  30   2.177 -15.657   1.930
  224    H    ALA  31           H        ALA  31  -3.060 -11.699   1.656
  225    HA   ALA  31           HA       ALA  31  -4.560 -12.660   3.932
  226   1HB   ALA  31          HB1       ALA  31  -5.998 -10.582   3.006
  227   2HB   ALA  31          HB2       ALA  31  -4.531 -10.364   3.991
  228   3HB   ALA  31          HB3       ALA  31  -4.445 -10.209   2.220
  229   1HN   AIB  32          1HN       AIB  32  -6.229 -11.299   1.143
  230   1HB1  AIB  32          1HB1      AIB  32  -7.276 -15.026   0.834
  231   2HB1  AIB  32          2HB1      AIB  32  -5.961 -14.385  -0.186
  232   3HB1  AIB  32          3HB1      AIB  32  -7.561 -14.668  -0.893
  233   1HB2  AIB  32          1HB2      AIB  32  -8.178 -11.028  -0.535
  234   2HB2  AIB  32          2HB2      AIB  32  -8.452 -12.478  -1.515
  235   3HB2  AIB  32          3HB2      AIB  32  -6.803 -11.817  -1.355
  236    H    ARG  33           H        ARG  33  -7.713 -13.073   3.051
  237    HA   ARG  33           HA       ARG  33 -10.612 -13.128   2.771
  238   1HB   ARG  33          HB1       ARG  33  -9.239 -14.275   5.209
  239   2HB   ARG  33          HB2       ARG  33 -10.769 -14.738   4.490
  240   1HG   ARG  33          HG1       ARG  33  -8.453 -15.138   2.679
  241   2HG   ARG  33          HG2       ARG  33  -8.352 -16.084   4.151
  242   1HD   ARG  33          HD1       ARG  33  -9.586 -17.182   2.166
  243   2HD   ARG  33          HD2       ARG  33 -10.413 -17.220   3.711
  244    HE   ARG  33           HE       ARG  33 -11.390 -14.901   2.655
  245   1HH1  ARG  33          HH1       ARG  33 -13.616 -15.973   0.191
  246   2HH1  ARG  33          HH1       ARG  33 -13.177 -14.674   1.249
  247   1HH2  ARG  33          HH2       ARG  33 -12.391 -17.944   0.203
  248   2HH2  ARG  33          HH2       ARG  33 -11.037 -18.116   1.269
  249    H    GLN  34           H        GLN  34  -7.917 -12.415   5.121
  250    HA   GLN  34           HA       GLN  34  -9.178 -11.037   6.982
  251   1HB   GLN  34          HB1       GLN  34  -6.528 -11.304   6.149
  252   2HB   GLN  34          HB2       GLN  34  -6.776  -9.570   6.080
  253   1HG   GLN  34          HG1       GLN  34  -7.703 -11.123   8.515
  254   2HG   GLN  34          HG2       GLN  34  -6.011 -10.699   8.349
  255   1HE2  GLN  34          1HE2      GLN  34  -7.984  -9.811  10.287
  256   2HE2  GLN  34          2HE2      GLN  34  -8.065  -8.083  10.199
  257    H    ARG  35           H        ARG  35  -8.728 -10.027   3.617
  258    HA   ARG  35           HA       ARG  35  -9.978  -7.493   4.316
  259   1HB   ARG  35          HB1       ARG  35  -7.870  -8.263   2.349
  260   2HB   ARG  35          HB2       ARG  35  -9.077  -7.164   1.713
  261   1HG   ARG  35          HG1       ARG  35  -8.436  -5.424   3.099
  262   2HG   ARG  35          HG2       ARG  35  -8.040  -6.486   4.435
  263   1HD   ARG  35          HD1       ARG  35  -5.934  -7.166   3.326
  264   2HD   ARG  35          HD2       ARG  35  -6.346  -6.230   1.903
  265    HE   ARG  35           HE       ARG  35  -6.458  -4.321   3.868
  266   1HH1  ARG  35          HH1       ARG  35  -3.097  -3.684   4.555
  267   2HH1  ARG  35          HH1       ARG  35  -4.713  -3.066   4.642
  268   1HH2  ARG  35          HH2       ARG  35  -2.705  -5.786   3.652
  269   2HH2  ARG  35          HH2       ARG  35  -4.028  -6.737   3.065
  270    H    TYR  36           H        TYR  36 -11.880  -9.294   4.308
  271    HA   TYR  36           HA       TYR  36 -12.976 -10.627   2.397
  272   1HB   TYR  36          HB1       TYR  36 -14.527 -10.171   4.100
  273   2HB   TYR  36          HB2       TYR  36 -13.908  -8.548   4.329
  274    HD1  TYR  36           HD1      TYR  36 -15.965 -10.539   1.905
  275    HD2  TYR  36           HD2      TYR  36 -15.233  -6.731   3.713
  276    HE1  TYR  36           HE1      TYR  36 -18.017  -9.586   0.746
  277    HE2  TYR  36           HE2      TYR  36 -17.288  -5.791   2.548
  278    HH   TYR  36           HH       TYR  36 -19.417  -7.893   0.674
  279   1HN   NH2  37          HN1       NH2 237 -12.588 -10.376   0.289
  280   2HN   NH2  37          HN2       NH2 237 -13.037  -9.003  -0.666
  Start of MODEL   27
    1    H    TYR   1           H        TYR   1  -2.337  10.091 -32.595
    2    HA   TYR   1           HA       TYR   1  -2.433   7.864 -32.086
    3   1HB   TYR   1          HB1       TYR   1  -1.684   6.738 -34.006
    4   2HB   TYR   1          HB2       TYR   1  -0.483   7.968 -34.347
    5    HD1  TYR   1           HD1      TYR   1   1.760   7.382 -34.197
    6    HD2  TYR   1           HD2      TYR   1  -1.103   5.196 -31.889
    7    HE1  TYR   1           HE1      TYR   1   3.591   5.805 -33.407
    8    HE2  TYR   1           HE2      TYR   1   0.738   3.627 -31.106
    9    HH   TYR   1           HH       TYR   1   3.898   4.326 -31.286
   10    HA   PRO   2           HA       PRO   2   0.500   8.919 -28.946
   11   1HB   PRO   2          HB1       PRO   2  -0.984   8.029 -26.831
   12   2HB   PRO   2          HB2       PRO   2  -1.096   9.660 -27.462
   13   1HG   PRO   2          HG1       PRO   2  -2.988   7.412 -27.788
   14   2HG   PRO   2          HG2       PRO   2  -3.265   9.125 -28.033
   15   1HD   PRO   2          HD1       PRO   2  -2.875   7.141 -30.068
   16   2HD   PRO   2          HD2       PRO   2  -3.037   8.870 -30.307
   17    H    SER   3           H        SER   3   1.704   7.738 -27.198
   18    HA   SER   3           HA       SER   3   1.470   4.903 -27.464
   19   1HB   SER   3          HB1       SER   3   2.993   5.802 -29.384
   20   2HB   SER   3          HB2       SER   3   4.169   6.128 -28.126
   21    HG   SER   3           HG       SER   3   4.599   4.027 -27.928
   22    H    LYS   4           H        LYS   4   0.975   5.124 -25.177
   23    HA   LYS   4           HA       LYS   4   1.423   5.240 -23.017
   24   1HB   LYS   4          HB1       LYS   4   4.352   4.822 -23.510
   25   2HB   LYS   4          HB2       LYS   4   3.320   4.138 -22.271
   26   1HG   LYS   4          HG1       LYS   4   2.107   3.163 -24.556
   27   2HG   LYS   4          HG2       LYS   4   3.781   3.222 -25.069
   28   1HD   LYS   4          HD1       LYS   4   4.453   1.902 -23.058
   29   2HD   LYS   4          HD2       LYS   4   2.786   1.861 -22.520
   30   1HE   LYS   4          HE1       LYS   4   2.140   0.327 -24.153
   31   2HE   LYS   4          HE2       LYS   4   3.314   0.904 -25.319
   32   1HZ   LYS   4          HZ1       LYS   4   3.632  -1.049 -23.240
   33   2HZ   LYS   4          HZ2       LYS   4   4.366  -0.947 -24.695
   34   3HZ   LYS   4          HZ3       LYS   4   4.906  -0.048 -23.443
   35    HA   PRO   5           HA       PRO   5   2.671   9.519 -23.097
   36   1HB   PRO   5          HB1       PRO   5   0.589  10.478 -21.610
   37   2HB   PRO   5          HB2       PRO   5   0.557  10.391 -23.360
   38   1HG   PRO   5          HG1       PRO   5  -0.812   8.660 -21.392
   39   2HG   PRO   5          HG2       PRO   5  -1.153   8.865 -23.098
   40   1HD   PRO   5          HD1       PRO   5   0.201   6.653 -21.872
   41   2HD   PRO   5          HD2       PRO   5  -0.039   6.915 -23.589
   42    H    ASP   6           H        ASP   6   4.440   9.932 -21.943
   43    HA   ASP   6           HA       ASP   6   4.268   9.094 -19.174
   44   1HB   ASP   6          HB1       ASP   6   6.793   9.607 -19.249
   45   2HB   ASP   6          HB2       ASP   6   6.241   8.244 -20.202
   46    H    ASN   7           H        ASN   7   5.486  11.834 -21.255
   47    HA   ASN   7           HA       ASN   7   5.559  13.981 -20.965
   48   1HB   ASN   7          HB1       ASN   7   3.135  13.830 -20.382
   49   2HB   ASN   7          HB2       ASN   7   3.540  13.505 -18.709
   50   1HD2  ASN   7          HD2       ASN   7   3.329  15.864 -21.232
   51   2HD2  ASN   7          HD2       ASN   7   3.591  17.289 -20.283
   52    HA   PRO   8           HA       PRO   8   8.497  14.258 -17.694
   53   1HB   PRO   8          HB1       PRO   8   9.484  16.752 -18.216
   54   2HB   PRO   8          HB2       PRO   8  10.029  15.312 -19.053
   55   1HG   PRO   8          HG1       PRO   8   8.249  17.462 -20.029
   56   2HG   PRO   8          HG2       PRO   8   9.135  16.265 -20.953
   57   1HD   PRO   8          HD1       PRO   8   6.327  16.248 -20.367
   58   2HD   PRO   8          HD2       PRO   8   7.233  14.995 -21.191
   59    H    GLY   9           H        GLY   9   6.718  14.090 -16.139
   60   1HA   GLY   9          HA1       GLY   9   6.444  16.706 -14.792
   61   2HA   GLY   9          HA2       GLY   9   5.070  15.648 -15.041
   62    H    GLU  10           H        GLU  10   5.369  13.287 -14.215
   63    HA   GLU  10           HA       GLU  10   5.377  12.163 -12.315
   64   1HB   GLU  10          HB1       GLU  10   7.270  11.037 -12.894
   65   2HB   GLU  10          HB2       GLU  10   8.129  12.504 -13.316
   66   1HG   GLU  10          HG1       GLU  10   8.932  12.839 -11.133
   67   2HG   GLU  10          HG2       GLU  10   7.604  11.967 -10.393
   68    H    ASP  11           H        ASP  11   4.261  13.458 -10.788
   69    HA   ASP  11           HA       ASP  11   5.630  14.098  -8.519
   70   1HB   ASP  11          HB1       ASP  11   5.468  16.606  -8.529
   71   2HB   ASP  11          HB2       ASP  11   6.638  15.987  -9.677
   72    H    ALA  12           H        ALA  12   3.728  13.089  -7.631
   73    HA   ALA  12           HA       ALA  12   1.585  14.760  -7.016
   74   1HB   ALA  12          HB1       ALA  12   0.970  12.688  -9.163
   75   2HB   ALA  12          HB2       ALA  12  -0.209  13.738  -8.341
   76   3HB   ALA  12          HB3       ALA  12   1.018  14.449  -9.417
   77    HA   PRO  13           HA       PRO  13   1.150  11.532  -4.173
   78   1HB   PRO  13          HB1       PRO  13  -1.396  11.889  -3.247
   79   2HB   PRO  13          HB2       PRO  13  -0.037  12.857  -2.712
   80   1HG   PRO  13          HG1       PRO  13  -2.223  13.592  -4.561
   81   2HG   PRO  13          HG2       PRO  13  -1.120  14.642  -3.693
   82   1HD   PRO  13          HD1       PRO  13  -1.003  13.955  -6.476
   83   2HD   PRO  13          HD2       PRO  13   0.163  14.909  -5.582
   84    H    ALA  14           H        ALA  14  -0.716  11.584  -6.965
   85    HA   ALA  14           HA       ALA  14  -2.203   9.234  -6.493
   86   1HB   ALA  14          HB1       ALA  14  -1.408  10.878  -8.899
   87   2HB   ALA  14          HB2       ALA  14  -2.236   9.316  -9.111
   88   3HB   ALA  14          HB3       ALA  14  -3.022  10.623  -8.192
   89    H    GLU  15           H        GLU  15   1.092   9.943  -7.680
   90    HA   GLU  15           HA       GLU  15   1.478   7.247  -8.520
   91   1HB   GLU  15          HB1       GLU  15   2.584   9.407  -9.469
   92   2HB   GLU  15          HB2       GLU  15   3.661   9.316  -8.089
   93   1HG   GLU  15          HG1       GLU  15   3.232   6.916  -9.910
   94   2HG   GLU  15          HG2       GLU  15   4.407   8.155 -10.305
   95    H    ASP  16           H        ASP  16   1.581   8.989  -5.539
   96    HA   ASP  16           HA       ASP  16   3.609   7.355  -4.375
   97   1HB   ASP  16          HB1       ASP  16   1.945   9.689  -3.606
   98   2HB   ASP  16          HB2       ASP  16   2.229   8.579  -2.280
   99    H    LEU  17           H        LEU  17   0.013   7.835  -4.163
  100    HA   LEU  17           HA       LEU  17  -0.387   5.782  -2.268
  101   1HB   LEU  17          HB1       LEU  17  -1.843   7.856  -3.198
  102   2HB   LEU  17          HB2       LEU  17  -2.582   6.548  -4.100
  103    HG   LEU  17           HG       LEU  17  -2.326   5.732  -1.359
  104   1HD1  LEU  17          HD1       LEU  17  -3.433   8.505  -1.783
  105   2HD1  LEU  17          HD1       LEU  17  -3.975   7.466  -0.443
  106   3HD1  LEU  17          HD1       LEU  17  -2.262   7.935  -0.569
  107   1HD2  LEU  17          HD2       LEU  17  -4.882   5.741  -1.586
  108   2HD2  LEU  17          HD2       LEU  17  -4.602   6.254  -3.267
  109   3HD2  LEU  17          HD2       LEU  17  -3.950   4.701  -2.690
  110    H    ALA  18           H        ALA  18   0.064   5.879  -5.762
  111    HA   ALA  18           HA       ALA  18  -1.218   3.498  -6.434
  112   1HB   ALA  18          HB1       ALA  18   0.928   3.704  -8.166
  113   2HB   ALA  18          HB2       ALA  18  -0.634   4.536  -8.359
  114   3HB   ALA  18          HB3       ALA  18   0.736   5.378  -7.595
  115    H    ARG  19           H        ARG  19   2.189   4.186  -5.404
  116    HA   ARG  19           HA       ARG  19   3.092   1.615  -5.667
  117   1HB   ARG  19          HB1       ARG  19   3.911   3.783  -3.670
  118   2HB   ARG  19          HB2       ARG  19   4.842   2.326  -3.954
  119   1HG   ARG  19          HG1       ARG  19   4.143   3.721  -6.464
  120   2HG   ARG  19          HG2       ARG  19   5.073   4.732  -5.376
  121   1HD   ARG  19          HD1       ARG  19   6.766   3.610  -6.575
  122   2HD   ARG  19          HD2       ARG  19   6.648   2.641  -5.120
  123    HE   ARG  19           HE       ARG  19   4.828   1.683  -7.173
  124   1HH1  ARG  19          HH1       ARG  19   6.881  -0.974  -8.122
  125   2HH1  ARG  19          HH1       ARG  19   5.289  -0.297  -8.215
  126   1HH2  ARG  19          HH2       ARG  19   8.545   0.130  -6.940
  127   2HH2  ARG  19          HH2       ARG  19   8.195   1.632  -6.149
  128    H    TYR  20           H        TYR  20   0.898   3.033  -3.345
  129    HA   TYR  20           HA       TYR  20   1.346   0.900  -1.409
  130   1HB   TYR  20          HB1       TYR  20   1.009   3.032  -0.373
  131   2HB   TYR  20          HB2       TYR  20  -0.052   3.585  -1.654
  132    HD1  TYR  20           HD1      TYR  20  -2.344   3.711  -1.250
  133    HD2  TYR  20           HD2      TYR  20   0.039   1.077   1.134
  134    HE1  TYR  20           HE1      TYR  20  -4.362   3.191   0.206
  135    HE2  TYR  20           HE2      TYR  20  -1.987   0.566   2.582
  136    HH   TYR  20           HH       TYR  20  -5.168   1.683   1.688
  137    H    TYR  21           H        TYR  21  -0.527   1.539  -4.212
  138    HA   TYR  21           HA       TYR  21  -2.741  -0.122  -3.259
  139   1HB   TYR  21          HB1       TYR  21  -2.223   2.093  -5.151
  140   2HB   TYR  21          HB2       TYR  21  -3.002   0.765  -5.989
  141    HD1  TYR  21           HD1      TYR  21  -5.240   1.284  -6.317
  142    HD2  TYR  21           HD2      TYR  21  -3.453   2.161  -2.530
  143    HE1  TYR  21           HE1      TYR  21  -7.493   2.049  -5.422
  144    HE2  TYR  21           HE2      TYR  21  -5.712   2.923  -1.648
  145    HH   TYR  21           HH       TYR  21  -8.592   2.242  -3.245
  146    H    SER  22           H        SER  22   0.061  -0.058  -5.441
  147    HA   SER  22           HA       SER  22  -0.838  -2.346  -6.878
  148   1HB   SER  22          HB1       SER  22   1.063  -0.310  -7.289
  149   2HB   SER  22          HB2       SER  22   2.034  -1.752  -7.071
  150    HG   SER  22           HG       SER  22   0.590  -0.997  -9.251
  151    H    ALA  23           H        ALA  23   1.233  -1.586  -4.079
  152    HA   ALA  23           HA       ALA  23   2.338  -4.246  -3.980
  153   1HB   ALA  23          HB1       ALA  23   3.883  -2.759  -3.154
  154   2HB   ALA  23          HB2       ALA  23   2.642  -1.651  -2.521
  155   3HB   ALA  23          HB3       ALA  23   3.044  -3.140  -1.631
  156    H    LEU  24           H        LEU  24  -0.496  -2.519  -2.862
  157    HA   LEU  24           HA       LEU  24  -1.017  -4.025  -0.555
  158   1HB   LEU  24          HB1       LEU  24  -2.573  -2.486  -0.376
  159   2HB   LEU  24          HB2       LEU  24  -2.164  -1.889  -1.973
  160    HG   LEU  24           HG       LEU  24  -4.514  -2.260  -1.914
  161   1HD1  LEU  24          HD1       LEU  24  -4.243  -4.660  -3.424
  162   2HD1  LEU  24          HD1       LEU  24  -4.430  -2.988  -4.004
  163   3HD1  LEU  24          HD1       LEU  24  -2.804  -3.654  -3.717
  164   1HD2  LEU  24          HD2       LEU  24  -5.443  -3.739  -0.551
  165   2HD2  LEU  24          HD2       LEU  24  -4.817  -5.064  -1.561
  166   3HD2  LEU  24          HD2       LEU  24  -3.847  -4.446  -0.202
  167    H    ARG  25           H        ARG  25  -0.907  -4.908  -3.863
  168    HA   ARG  25           HA       ARG  25  -2.942  -6.903  -3.596
  169   1HB   ARG  25          HB1       ARG  25  -2.065  -5.502  -5.750
  170   2HB   ARG  25          HB2       ARG  25  -1.013  -6.894  -5.913
  171   1HG   ARG  25          HG1       ARG  25  -2.798  -7.768  -7.069
  172   2HG   ARG  25          HG2       ARG  25  -3.360  -8.197  -5.466
  173   1HD   ARG  25          HD1       ARG  25  -5.051  -6.632  -5.492
  174   2HD   ARG  25          HD2       ARG  25  -4.060  -5.421  -6.281
  175    HE   ARG  25           HE       ARG  25  -4.763  -7.657  -8.040
  176   1HH1  ARG  25          HH1       ARG  25  -7.048  -5.746  -9.858
  177   2HH1  ARG  25          HH1       ARG  25  -6.148  -7.225  -9.806
  178   1HH2  ARG  25          HH2       ARG  25  -6.847  -4.203  -8.136
  179   2HH2  ARG  25          HH2       ARG  25  -5.797  -4.531  -6.798
  180    H    HIS  26           H        HIS  26   0.639  -6.781  -4.257
  181    HA   HIS  26           HA       HIS  26   1.013  -9.536  -4.076
  182   1HB   HIS  26          HB1       HIS  26   2.549  -7.268  -4.658
  183   2HB   HIS  26          HB2       HIS  26   3.328  -7.970  -3.253
  184    HD1  HIS  26           HD1      HIS  26   2.081  -9.123  -6.694
  185    HD2  HIS  26           HD2      HIS  26   5.039 -10.017  -3.857
  186    HE1  HIS  26           HE1      HIS  26   3.561 -10.916  -7.745
  187    H    TYR  27           H        TYR  27   0.408  -7.096  -1.662
  188    HA   TYR  27           HA       TYR  27   1.636  -8.608   0.471
  189   1HB   TYR  27          HB1       TYR  27   1.666  -6.266   0.864
  190   2HB   TYR  27          HB2       TYR  27   0.203  -6.002  -0.064
  191    HD1  TYR  27           HD1      TYR  27   0.631  -8.342   2.813
  192    HD2  TYR  27           HD2      TYR  27  -1.072  -4.674   1.415
  193    HE1  TYR  27           HE1      TYR  27  -0.703  -8.132   4.967
  194    HE2  TYR  27           HE2      TYR  27  -2.400  -4.477   3.573
  195    HH   TYR  27           HH       TYR  27  -2.295  -7.056   5.997
  196    H    ILE  28           H        ILE  28  -1.686  -7.762  -0.693
  197    HA   ILE  28           HA       ILE  28  -2.921  -9.260   1.397
  198    HB   ILE  28           HB       ILE  28  -3.961  -8.005  -1.142
  199   1HG1  ILE  28          1HG1      ILE  28  -3.055  -6.489   0.639
  200   2HG1  ILE  28          2HG1      ILE  28  -4.739  -6.230   0.231
  201   1HG2  ILE  28          1HG2      ILE  28  -5.354  -9.608   0.981
  202   2HG2  ILE  28          2HG2      ILE  28  -6.203  -8.281   0.154
  203   3HG2  ILE  28          3HG2      ILE  28  -5.551  -9.643  -0.788
  204   1HD1  ILE  28          1HD1      ILE  28  -3.536  -7.193   2.768
  205   2HD1  ILE  28          2HD1      ILE  28  -5.073  -6.339   2.490
  206   3HD1  ILE  28          3HD1      ILE  28  -4.976  -8.100   2.248
  207    H    ASN  29           H        ASN  29  -1.375 -10.015  -1.604
  208    HA   ASN  29           HA       ASN  29  -2.862 -12.061  -2.566
  209   1HB   ASN  29          HB1       ASN  29  -0.844 -11.265  -3.715
  210   2HB   ASN  29          HB2       ASN  29   0.176 -11.750  -2.375
  211   1HD2  ASN  29          HD2       ASN  29  -1.269 -12.642  -5.299
  212   2HD2  ASN  29          HD2       ASN  29  -0.844 -14.321  -5.340
  213    H    LEU  30           H        LEU  30  -1.102 -11.790   0.448
  214    HA   LEU  30           HA       LEU  30  -0.950 -14.671   0.809
  215   1HB   LEU  30          HB1       LEU  30   0.006 -12.349   2.487
  216   2HB   LEU  30          HB2       LEU  30   0.181 -14.033   2.937
  217    HG   LEU  30           HG       LEU  30   1.717 -12.410   1.016
  218   1HD1  LEU  30          HD1       LEU  30   2.279 -13.809   3.280
  219   2HD1  LEU  30          HD1       LEU  30   2.775 -14.971   2.026
  220   3HD1  LEU  30          HD1       LEU  30   3.479 -13.336   2.054
  221   1HD2  LEU  30          HD2       LEU  30   0.633 -13.780  -0.630
  222   2HD2  LEU  30          HD2       LEU  30   2.298 -14.369  -0.410
  223   3HD2  LEU  30          HD2       LEU  30   0.938 -15.253   0.321
  224    H    ALA  31           H        ALA  31  -2.973 -11.904   1.544
  225    HA   ALA  31           HA       ALA  31  -4.428 -13.519   3.517
  226   1HB   ALA  31          HB1       ALA  31  -3.473 -11.146   4.020
  227   2HB   ALA  31          HB2       ALA  31  -4.818 -10.562   3.010
  228   3HB   ALA  31          HB3       ALA  31  -5.155 -11.502   4.483
  229   1HN   AIB  32          1HN       AIB  32  -4.803 -14.454   1.003
  230   1HB1  AIB  32          1HB1      AIB  32  -6.114 -15.041  -1.851
  231   2HB1  AIB  32          2HB1      AIB  32  -7.210 -16.014  -0.834
  232   3HB1  AIB  32          3HB1      AIB  32  -5.496 -15.882  -0.400
  233   1HB2  AIB  32          1HB2      AIB  32  -6.015 -12.739  -1.643
  234   2HB2  AIB  32          2HB2      AIB  32  -6.782 -11.867  -0.306
  235   3HB2  AIB  32          3HB2      AIB  32  -7.783 -12.841  -1.416
  236    H    ARG  33           H        ARG  33  -6.996 -14.804   2.530
  237    HA   ARG  33           HA       ARG  33  -9.837 -14.306   2.350
  238   1HB   ARG  33          HB1       ARG  33  -8.943 -16.826   3.759
  239   2HB   ARG  33          HB2       ARG  33 -10.493 -16.469   3.022
  240   1HG   ARG  33          HG1       ARG  33  -9.055 -16.387   0.770
  241   2HG   ARG  33          HG2       ARG  33  -7.920 -17.347   1.697
  242   1HD   ARG  33          HD1       ARG  33  -9.368 -18.913   0.565
  243   2HD   ARG  33          HD2       ARG  33  -9.840 -18.940   2.253
  244    HE   ARG  33           HE       ARG  33 -11.883 -17.876   1.703
  245   1HH1  ARG  33          HH1       ARG  33 -13.128 -17.070  -1.455
  246   2HH1  ARG  33          HH1       ARG  33 -13.508 -17.249   0.225
  247   1HH2  ARG  33          HH2       ARG  33 -10.968 -17.468  -2.205
  248   2HH2  ARG  33          HH2       ARG  33  -9.736 -17.943  -1.084
  249    H    GLN  34           H        GLN  34  -6.984 -15.256   4.365
  250    HA   GLN  34           HA       GLN  34  -7.979 -14.891   6.832
  251   1HB   GLN  34          HB1       GLN  34  -5.397 -15.042   5.619
  252   2HB   GLN  34          HB2       GLN  34  -5.346 -13.678   6.717
  253   1HG   GLN  34          HG1       GLN  34  -6.594 -15.404   8.364
  254   2HG   GLN  34          HG2       GLN  34  -5.827 -16.592   7.328
  255   1HE2  GLN  34          1HE2      GLN  34  -5.407 -14.131   9.710
  256   2HE2  GLN  34          2HE2      GLN  34  -3.717 -14.348  10.023
  257    H    ARG  35           H        ARG  35  -7.467 -12.464   4.350
  258    HA   ARG  35           HA       ARG  35  -7.579 -10.336   6.276
  259   1HB   ARG  35          HB1       ARG  35  -6.551 -10.643   3.624
  260   2HB   ARG  35          HB2       ARG  35  -7.842  -9.465   3.499
  261   1HG   ARG  35          HG1       ARG  35  -6.110  -9.031   5.863
  262   2HG   ARG  35          HG2       ARG  35  -5.233  -8.938   4.348
  263   1HD   ARG  35          HD1       ARG  35  -6.001  -6.798   4.189
  264   2HD   ARG  35          HD2       ARG  35  -7.558  -7.492   3.782
  265    HE   ARG  35           HE       ARG  35  -7.375  -7.518   6.610
  266   1HH1  ARG  35          HH1       ARG  35  -8.714  -4.353   7.216
  267   2HH1  ARG  35          HH1       ARG  35  -8.349  -5.902   7.899
  268   1HH2  ARG  35          HH2       ARG  35  -8.216  -3.919   4.991
  269   2HH2  ARG  35          HH2       ARG  35  -7.477  -5.144   4.014
  270    H    TYR  36           H        TYR  36  -9.880 -12.193   6.013
  271    HA   TYR  36           HA       TYR  36 -11.915 -10.188   5.551
  272   1HB   TYR  36          HB1       TYR  36 -12.171 -11.079   3.393
  273   2HB   TYR  36          HB2       TYR  36 -11.198 -12.484   3.778
  274    HD1  TYR  36           HD1      TYR  36 -12.289 -14.500   3.490
  275    HD2  TYR  36           HD2      TYR  36 -14.535 -11.131   4.870
  276    HE1  TYR  36           HE1      TYR  36 -14.392 -15.927   3.573
  277    HE2  TYR  36           HE2      TYR  36 -16.630 -12.569   4.949
  278    HH   TYR  36           HH       TYR  36 -17.113 -15.133   3.394
  279   1HN   NH2  37          HN1       NH2 237 -11.378 -13.694   6.017
  280   2HN   NH2  37          HN2       NH2 237 -12.437 -13.878   7.375
  Start of MODEL   28
    1    H    TYR   1           H        TYR   1   4.615  -6.414 -15.044
    2    HA   TYR   1           HA       TYR   1   4.291  -5.291 -16.928
    3   1HB   TYR   1          HB1       TYR   1   2.540  -3.355 -15.338
    4   2HB   TYR   1          HB2       TYR   1   2.231  -4.011 -16.933
    5    HD1  TYR   1           HD1      TYR   1   2.416  -6.884 -16.623
    6    HD2  TYR   1           HD2      TYR   1   0.820  -3.984 -13.912
    7    HE1  TYR   1           HE1      TYR   1   0.914  -8.660 -15.595
    8    HE2  TYR   1           HE2      TYR   1  -0.677  -5.769 -12.895
    9    HH   TYR   1           HH       TYR   1  -1.389  -8.563 -14.344
   10    HA   PRO   2           HA       PRO   2   6.730  -1.720 -16.998
   11   1HB   PRO   2          HB1       PRO   2   6.087  -0.602 -19.407
   12   2HB   PRO   2          HB2       PRO   2   7.180  -1.962 -19.243
   13   1HG   PRO   2          HG1       PRO   2   4.381  -1.939 -20.193
   14   2HG   PRO   2          HG2       PRO   2   5.606  -3.172 -20.416
   15   1HD   PRO   2          HD1       PRO   2   3.412  -3.246 -18.571
   16   2HD   PRO   2          HD2       PRO   2   4.701  -4.424 -18.713
   17    H    SER   3           H        SER   3   6.910   0.632 -16.912
   18    HA   SER   3           HA       SER   3   4.364   1.936 -16.749
   19   1HB   SER   3          HB1       SER   3   6.133   1.473 -14.327
   20   2HB   SER   3          HB2       SER   3   5.084   2.874 -14.408
   21    HG   SER   3           HG       SER   3   4.362   0.087 -14.378
   22    H    LYS   4           H        LYS   4   7.831   2.313 -15.679
   23    HA   LYS   4           HA       LYS   4   9.388   3.776 -16.252
   24   1HB   LYS   4          HB1       LYS   4   9.392   3.723 -18.494
   25   2HB   LYS   4          HB2       LYS   4   7.645   3.785 -18.606
   26   1HG   LYS   4          HG1       LYS   4   8.483   5.824 -19.599
   27   2HG   LYS   4          HG2       LYS   4   7.756   6.267 -18.068
   28   1HD   LYS   4          HD1       LYS   4   9.929   6.422 -16.981
   29   2HD   LYS   4          HD2       LYS   4  10.737   5.688 -18.352
   30   1HE   LYS   4          HE1       LYS   4  10.342   7.623 -19.751
   31   2HE   LYS   4          HE2       LYS   4   9.188   8.299 -18.619
   32   1HZ   LYS   4          HZ1       LYS   4  11.957   7.814 -17.816
   33   2HZ   LYS   4          HZ2       LYS   4  11.536   9.187 -18.593
   34   3HZ   LYS   4          HZ3       LYS   4  10.868   8.830 -17.147
   35    HA   PRO   5           HA       PRO   5   7.749   7.073 -13.906
   36   1HB   PRO   5          HB1       PRO   5  10.125   8.006 -12.929
   37   2HB   PRO   5          HB2       PRO   5   9.226   6.703 -12.178
   38   1HG   PRO   5          HG1       PRO   5  11.686   6.557 -13.810
   39   2HG   PRO   5          HG2       PRO   5  11.021   5.359 -12.716
   40   1HD   PRO   5          HD1       PRO   5  10.901   5.321 -15.582
   41   2HD   PRO   5          HD2       PRO   5  10.137   4.187 -14.485
   42    H    ASP   6           H        ASP   6   9.013   9.512 -13.473
   43    HA   ASP   6           HA       ASP   6   9.682  10.452 -16.091
   44   1HB   ASP   6          HB1       ASP   6   7.013  10.807 -14.916
   45   2HB   ASP   6          HB2       ASP   6   7.776  12.356 -15.214
   46    H    ASN   7           H        ASN   7  10.809  12.528 -15.940
   47    HA   ASN   7           HA       ASN   7  11.927  12.990 -13.400
   48   1HB   ASN   7          HB1       ASN   7  12.468  13.706 -16.140
   49   2HB   ASN   7          HB2       ASN   7  12.388  15.203 -15.233
   50   1HD2  ASN   7          HD2       ASN   7  14.595  15.525 -15.541
   51   2HD2  ASN   7          HD2       ASN   7  15.802  14.677 -14.632
   52    HA   PRO   8           HA       PRO   8   9.274  16.942 -13.849
   53   1HB   PRO   8          HB1       PRO   8   7.448  17.127 -15.874
   54   2HB   PRO   8          HB2       PRO   8   9.061  17.805 -15.973
   55   1HG   PRO   8          HG1       PRO   8   7.992  15.370 -17.264
   56   2HG   PRO   8          HG2       PRO   8   9.428  16.287 -17.670
   57   1HD   PRO   8          HD1       PRO   8   9.328  13.787 -16.269
   58   2HD   PRO   8          HD2       PRO   8  10.753  14.761 -16.574
   59    H    GLY   9           H        GLY   9   7.837  17.195 -12.255
   60   1HA   GLY   9          HA1       GLY   9   5.260  16.439 -12.226
   61   2HA   GLY   9          HA2       GLY   9   6.069  14.948 -11.787
   62    H    GLU  10           H        GLU  10   8.371  16.326 -10.449
   63    HA   GLU  10           HA       GLU  10   8.954  17.138  -8.517
   64   1HB   GLU  10          HB1       GLU  10   6.237  18.303  -7.908
   65   2HB   GLU  10          HB2       GLU  10   7.823  18.954  -7.545
   66   1HG   GLU  10          HG1       GLU  10   7.600  20.251  -9.396
   67   2HG   GLU  10          HG2       GLU  10   7.831  18.797 -10.346
   68    H    ASP  11           H        ASP  11   5.462  16.137  -8.260
   69    HA   ASP  11           HA       ASP  11   6.100  13.875  -6.778
   70   1HB   ASP  11          HB1       ASP  11   5.332  16.371  -5.257
   71   2HB   ASP  11          HB2       ASP  11   4.719  14.833  -4.685
   72    H    ALA  12           H        ALA  12   3.451  16.226  -6.023
   73    HA   ALA  12           HA       ALA  12   1.275  16.215  -6.416
   74   1HB   ALA  12          HB1       ALA  12   0.608  14.930  -8.649
   75   2HB   ALA  12          HB2       ALA  12   1.495  16.472  -8.707
   76   3HB   ALA  12          HB3       ALA  12   2.370  14.935  -8.905
   77    HA   PRO  13           HA       PRO  13  -0.221  12.544  -4.689
   78   1HB   PRO  13          HB1       PRO  13  -2.920  12.807  -5.031
   79   2HB   PRO  13          HB2       PRO  13  -2.031  13.622  -3.759
   80   1HG   PRO  13          HG1       PRO  13  -3.130  14.744  -6.264
   81   2HG   PRO  13          HG2       PRO  13  -2.628  15.586  -4.811
   82   1HD   PRO  13          HD1       PRO  13  -1.177  15.407  -7.279
   83   2HD   PRO  13          HD2       PRO  13  -0.626  16.149  -5.790
   84    H    ALA  14           H        ALA  14  -2.171  10.773  -5.139
   85    HA   ALA  14           HA       ALA  14  -2.369   8.885  -6.318
   86   1HB   ALA  14          HB1       ALA  14  -3.885   9.278  -7.960
   87   2HB   ALA  14          HB2       ALA  14  -3.693  10.988  -7.503
   88   3HB   ALA  14          HB3       ALA  14  -2.770  10.323  -8.872
   89    H    GLU  15           H        GLU  15   0.403  10.068  -6.154
   90    HA   GLU  15           HA       GLU  15   1.425   8.801  -8.577
   91   1HB   GLU  15          HB1       GLU  15   1.885  11.450  -7.595
   92   2HB   GLU  15          HB2       GLU  15   3.382  10.567  -7.374
   93   1HG   GLU  15          HG1       GLU  15   3.794  10.952  -9.576
   94   2HG   GLU  15          HG2       GLU  15   2.566   9.750  -9.921
   95    H    ASP  16           H        ASP  16   1.370   9.006  -5.079
   96    HA   ASP  16           HA       ASP  16   3.607   7.144  -4.976
   97   1HB   ASP  16          HB1       ASP  16   3.605   9.354  -3.613
   98   2HB   ASP  16          HB2       ASP  16   2.344   8.630  -2.635
   99    H    LEU  17           H        LEU  17   0.191   7.817  -4.148
  100    HA   LEU  17           HA       LEU  17  -0.289   5.716  -2.408
  101   1HB   LEU  17          HB1       LEU  17  -1.709   7.786  -3.445
  102   2HB   LEU  17          HB2       LEU  17  -2.440   6.439  -4.295
  103    HG   LEU  17           HG       LEU  17  -2.253   5.688  -1.555
  104   1HD1  LEU  17          HD1       LEU  17  -3.724   7.493  -0.577
  105   2HD1  LEU  17          HD1       LEU  17  -2.021   7.937  -0.842
  106   3HD1  LEU  17          HD1       LEU  17  -3.275   8.503  -1.971
  107   1HD2  LEU  17          HD2       LEU  17  -4.435   6.262  -3.530
  108   2HD2  LEU  17          HD2       LEU  17  -3.969   4.729  -2.754
  109   3HD2  LEU  17          HD2       LEU  17  -4.841   5.970  -1.822
  110    H    ALA  18           H        ALA  18   0.082   5.817  -5.944
  111    HA   ALA  18           HA       ALA  18  -1.123   3.417  -6.594
  112   1HB   ALA  18          HB1       ALA  18   0.284   3.519  -8.594
  113   2HB   ALA  18          HB2       ALA  18  -0.298   5.150  -8.182
  114   3HB   ALA  18          HB3       ALA  18   1.375   4.678  -7.797
  115    H    ARG  19           H        ARG  19   2.287   4.110  -5.568
  116    HA   ARG  19           HA       ARG  19   3.176   1.531  -5.788
  117   1HB   ARG  19          HB1       ARG  19   4.021   3.691  -3.789
  118   2HB   ARG  19          HB2       ARG  19   4.957   2.253  -4.145
  119   1HG   ARG  19          HG1       ARG  19   4.176   3.696  -6.597
  120   2HG   ARG  19          HG2       ARG  19   5.102   4.708  -5.507
  121   1HD   ARG  19          HD1       ARG  19   6.302   2.050  -5.632
  122   2HD   ARG  19          HD2       ARG  19   6.097   2.682  -7.254
  123    HE   ARG  19           HE       ARG  19   7.192   4.695  -5.467
  124   1HH1  ARG  19          HH1       ARG  19  10.463   4.316  -6.623
  125   2HH1  ARG  19          HH1       ARG  19   9.377   5.317  -5.718
  126   1HH2  ARG  19          HH2       ARG  19   9.699   2.344  -7.580
  127   2HH2  ARG  19          HH2       ARG  19   8.043   1.873  -7.389
  128    H    TYR  20           H        TYR  20   0.997   3.002  -3.484
  129    HA   TYR  20           HA       TYR  20   1.440   0.902  -1.511
  130   1HB   TYR  20          HB1       TYR  20   1.113   3.054  -0.515
  131   2HB   TYR  20          HB2       TYR  20   0.051   3.587  -1.803
  132    HD1  TYR  20           HD1      TYR  20   0.209   1.410   1.215
  133    HD2  TYR  20           HD2      TYR  20  -2.307   3.449  -1.581
  134    HE1  TYR  20           HE1      TYR  20  -1.816   0.933   2.678
  135    HE2  TYR  20           HE2      TYR  20  -4.323   2.964  -0.110
  136    HH   TYR  20           HH       TYR  20  -4.353   2.417   2.779
  137    H    TYR  21           H        TYR  21  -0.445   1.506  -4.318
  138    HA   TYR  21           HA       TYR  21  -2.658  -0.134  -3.331
  139   1HB   TYR  21          HB1       TYR  21  -2.141   2.049  -5.259
  140   2HB   TYR  21          HB2       TYR  21  -2.927   0.711  -6.073
  141    HD1  TYR  21           HD1      TYR  21  -4.937  -0.332  -4.435
  142    HD2  TYR  21           HD2      TYR  21  -3.589   3.725  -4.601
  143    HE1  TYR  21           HE1      TYR  21  -7.185   0.459  -3.550
  144    HE2  TYR  21           HE2      TYR  21  -5.842   4.502  -3.715
  145    HH   TYR  21           HH       TYR  21  -7.709   3.838  -2.722
  146    H    SER  22           H        SER  22   0.143  -0.121  -5.510
  147    HA   SER  22           HA       SER  22  -0.770  -2.420  -6.920
  148   1HB   SER  22          HB1       SER  22   0.837  -0.492  -7.715
  149   2HB   SER  22          HB2       SER  22   2.089  -1.412  -6.904
  150    HG   SER  22           HG       SER  22   0.854  -3.250  -8.315
  151    H    ALA  23           H        ALA  23   1.323  -1.638  -4.138
  152    HA   ALA  23           HA       ALA  23   2.397  -4.306  -3.997
  153   1HB   ALA  23          HB1       ALA  23   2.689  -1.709  -2.518
  154   2HB   ALA  23          HB2       ALA  23   3.146  -3.212  -1.682
  155   3HB   ALA  23          HB3       ALA  23   3.937  -2.770  -3.214
  156    H    LEU  24           H        LEU  24  -0.415  -2.529  -2.883
  157    HA   LEU  24           HA       LEU  24  -0.955  -4.012  -0.569
  158   1HB   LEU  24          HB1       LEU  24  -2.489  -2.448  -0.409
  159   2HB   LEU  24          HB2       LEU  24  -2.087  -1.884  -2.019
  160    HG   LEU  24           HG       LEU  24  -4.442  -2.235  -1.926
  161   1HD1  LEU  24          HD1       LEU  24  -4.379  -2.979  -4.011
  162   2HD1  LEU  24          HD1       LEU  24  -2.757  -3.659  -3.732
  163   3HD1  LEU  24          HD1       LEU  24  -4.204  -4.648  -3.418
  164   1HD2  LEU  24          HD2       LEU  24  -4.691  -5.062  -1.530
  165   2HD2  LEU  24          HD2       LEU  24  -3.796  -4.356  -0.163
  166   3HD2  LEU  24          HD2       LEU  24  -5.403  -3.725  -0.595
  167    H    ARG  25           H        ARG  25  -0.862  -4.925  -3.873
  168    HA   ARG  25           HA       ARG  25  -2.935  -6.866  -3.632
  169   1HB   ARG  25          HB1       ARG  25  -1.989  -5.569  -5.779
  170   2HB   ARG  25          HB2       ARG  25  -0.858  -6.907  -5.838
  171   1HG   ARG  25          HG1       ARG  25  -2.466  -8.067  -6.949
  172   2HG   ARG  25          HG2       ARG  25  -3.308  -8.193  -5.417
  173   1HD   ARG  25          HD1       ARG  25  -3.686  -5.636  -6.956
  174   2HD   ARG  25          HD2       ARG  25  -4.437  -7.073  -7.620
  175    HE   ARG  25           HE       ARG  25  -5.338  -5.621  -5.317
  176   1HH1  ARG  25          HH1       ARG  25  -7.394  -8.143  -4.057
  177   2HH1  ARG  25          HH1       ARG  25  -7.014  -6.454  -4.006
  178   1HH2  ARG  25          HH2       ARG  25  -6.201  -9.560  -5.455
  179   2HH2  ARG  25          HH2       ARG  25  -4.931  -8.928  -6.448
  180    H    HIS  26           H        HIS  26   0.659  -6.961  -4.255
  181    HA   HIS  26           HA       HIS  26   0.893  -9.705  -3.895
  182   1HB   HIS  26          HB1       HIS  26   2.523  -7.670  -4.718
  183   2HB   HIS  26          HB2       HIS  26   3.224  -8.043  -3.156
  184    HD1  HIS  26           HD1      HIS  26   4.560  -8.643  -6.004
  185    HD2  HIS  26           HD2      HIS  26   2.602 -11.421  -3.545
  186    HE1  HIS  26           HE1      HIS  26   5.465 -10.938  -6.656
  187    H    TYR  27           H        TYR  27   0.435  -7.088  -1.625
  188    HA   TYR  27           HA       TYR  27   1.557  -8.529   0.603
  189   1HB   TYR  27          HB1       TYR  27   1.661  -6.153   0.809
  190   2HB   TYR  27          HB2       TYR  27   0.165  -5.922  -0.074
  191    HD1  TYR  27           HD1      TYR  27   1.039  -7.787   3.073
  192    HD2  TYR  27           HD2      TYR  27  -1.389  -4.792   1.219
  193    HE1  TYR  27           HE1      TYR  27  -0.204  -7.429   5.262
  194    HE2  TYR  27           HE2      TYR  27  -2.624  -4.444   3.414
  195    HH   TYR  27           HH       TYR  27  -2.895  -6.366   5.650
  196    H    ILE  28           H        ILE  28  -1.705  -7.732  -0.725
  197    HA   ILE  28           HA       ILE  28  -3.011  -9.056   1.459
  198    HB   ILE  28           HB       ILE  28  -3.935  -7.778  -1.105
  199   1HG1  ILE  28          1HG1      ILE  28  -3.179  -6.292   0.716
  200   2HG1  ILE  28          2HG1      ILE  28  -4.880  -6.099   0.343
  201   1HG2  ILE  28          1HG2      ILE  28  -6.231  -8.142   0.305
  202   2HG2  ILE  28          2HG2      ILE  28  -5.685  -9.186  -1.030
  203   3HG2  ILE  28          3HG2      ILE  28  -5.371  -9.661   0.657
  204   1HD1  ILE  28          1HD1      ILE  28  -3.585  -7.225   2.797
  205   2HD1  ILE  28          2HD1      ILE  28  -5.074  -6.262   2.636
  206   3HD1  ILE  28          3HD1      ILE  28  -5.097  -8.003   2.269
  207    H    ASN  29           H        ASN  29  -1.520  -9.956  -1.547
  208    HA   ASN  29           HA       ASN  29  -3.084 -12.024  -2.361
  209   1HB   ASN  29          HB1       ASN  29  -1.045 -11.168  -3.558
  210   2HB   ASN  29          HB2       ASN  29  -0.022 -11.883  -2.328
  211   1HD2  ASN  29          HD2       ASN  29   0.135 -14.130  -2.131
  212   2HD2  ASN  29          HD2       ASN  29  -0.269 -15.208  -3.425
  213    H    LEU  30           H        LEU  30  -1.142 -11.639   0.529
  214    HA   LEU  30           HA       LEU  30  -0.933 -14.495   0.992
  215   1HB   LEU  30          HB1       LEU  30  -0.074 -12.221   2.777
  216   2HB   LEU  30          HB2       LEU  30   0.400 -13.904   2.888
  217    HG   LEU  30           HG       LEU  30   1.143 -11.980   0.667
  218   1HD1  LEU  30          HD1       LEU  30   3.151 -11.644   1.660
  219   2HD1  LEU  30          HD1       LEU  30   2.205 -11.986   3.128
  220   3HD1  LEU  30          HD1       LEU  30   3.194 -13.267   2.389
  221   1HD2  LEU  30          HD2       LEU  30   2.747 -14.314   0.594
  222   2HD2  LEU  30          HD2       LEU  30   1.049 -14.845   0.667
  223   3HD2  LEU  30          HD2       LEU  30   1.580 -13.733  -0.618
  224    H    ALA  31           H        ALA  31  -3.523 -12.716   0.881
  225    HA   ALA  31           HA       ALA  31  -4.493 -13.038   3.585
  226   1HB   ALA  31          HB1       ALA  31  -6.441 -11.870   2.770
  227   2HB   ALA  31          HB2       ALA  31  -5.007 -11.058   2.097
  228   3HB   ALA  31          HB3       ALA  31  -5.970 -12.153   1.077
  229   1HN   AIB  32          1HN       AIB  32  -4.052 -15.038   0.899
  230   1HB1  AIB  32          1HB1      AIB  32  -3.471 -16.931   0.207
  231   2HB1  AIB  32          2HB1      AIB  32  -4.775 -17.712  -0.726
  232   3HB1  AIB  32          3HB1      AIB  32  -4.203 -18.458   0.776
  233   1HB2  AIB  32          1HB2      AIB  32  -6.939 -17.296  -0.403
  234   2HB2  AIB  32          2HB2      AIB  32  -6.804 -15.537  -0.239
  235   3HB2  AIB  32          3HB2      AIB  32  -7.619 -16.485   1.035
  236    H    ARG  33           H        ARG  33  -3.996 -16.672   3.311
  237    HA   ARG  33           HA       ARG  33  -4.785 -18.899   4.512
  238   1HB   ARG  33          HB1       ARG  33  -3.230 -17.882   5.863
  239   2HB   ARG  33          HB2       ARG  33  -3.757 -16.273   5.410
  240   1HG   ARG  33          HG1       ARG  33  -5.478 -17.973   7.243
  241   2HG   ARG  33          HG2       ARG  33  -4.105 -17.099   7.893
  242   1HD   ARG  33          HD1       ARG  33  -5.133 -15.052   7.670
  243   2HD   ARG  33          HD2       ARG  33  -5.824 -15.453   6.110
  244    HE   ARG  33           HE       ARG  33  -7.287 -17.041   7.817
  245   1HH1  ARG  33          HH1       ARG  33  -9.513 -14.768   9.252
  246   2HH1  ARG  33          HH1       ARG  33  -9.211 -16.435   8.892
  247   1HH2  ARG  33          HH2       ARG  33  -7.964 -13.151   8.643
  248   2HH2  ARG  33          HH2       ARG  33  -6.506 -13.610   7.828
  249    H    GLN  34           H        GLN  34  -6.682 -15.952   4.055
  250    HA   GLN  34           HA       GLN  34  -8.478 -16.073   6.061
  251   1HB   GLN  34          HB1       GLN  34  -8.413 -14.297   4.346
  252   2HB   GLN  34          HB2       GLN  34  -8.992 -15.415   3.127
  253   1HG   GLN  34          HG1       GLN  34 -11.166 -15.290   3.855
  254   2HG   GLN  34          HG2       GLN  34 -10.709 -15.318   5.547
  255   1HE2  GLN  34          1HE2      GLN  34 -10.551 -13.256   2.654
  256   2HE2  GLN  34          2HE2      GLN  34 -10.835 -11.741   3.444
  257    H    ARG  35           H        ARG  35  -8.939 -17.615   2.790
  258    HA   ARG  35           HA       ARG  35 -10.984 -19.255   3.965
  259   1HB   ARG  35          HB1       ARG  35 -11.606 -19.809   1.712
  260   2HB   ARG  35          HB2       ARG  35 -11.162 -18.115   1.657
  261   1HG   ARG  35          HG1       ARG  35  -8.765 -18.963   1.033
  262   2HG   ARG  35          HG2       ARG  35  -9.533 -20.506   0.719
  263   1HD   ARG  35          HD1       ARG  35 -11.106 -18.417  -0.543
  264   2HD   ARG  35          HD2       ARG  35  -9.428 -18.207  -1.001
  265    HE   ARG  35           HE       ARG  35  -9.776 -20.915  -1.333
  266   1HH1  ARG  35          HH1       ARG  35 -11.552 -21.100  -4.332
  267   2HH1  ARG  35          HH1       ARG  35 -10.523 -21.951  -3.228
  268   1HH2  ARG  35          HH2       ARG  35 -12.172 -18.908  -3.885
  269   2HH2  ARG  35          HH2       ARG  35 -11.606 -18.124  -2.448
  270    H    TYR  36           H        TYR  36  -7.788 -19.411   4.194
  271    HA   TYR  36           HA       TYR  36  -6.244 -20.991   4.390
  272   1HB   TYR  36          HB1       TYR  36  -7.455 -22.261   5.949
  273   2HB   TYR  36          HB2       TYR  36  -8.919 -22.176   4.991
  274    HD1  TYR  36           HD1      TYR  36  -5.592 -23.898   5.069
  275    HD2  TYR  36           HD2      TYR  36  -9.707 -24.095   3.914
  276    HE1  TYR  36           HE1      TYR  36  -5.290 -26.327   4.380
  277    HE2  TYR  36           HE2      TYR  36  -9.390 -26.523   3.229
  278    HH   TYR  36           HH       TYR  36  -6.273 -28.144   3.724
  279   1HN   NH2  37          HN1       NH2 237  -5.094 -21.202   2.594
  280   2HN   NH2  37          HN2       NH2 237  -5.483 -22.211   1.241
  Start of MODEL   29
    1    H    TYR   1           H        TYR   1  14.985  20.407   9.076
    2    HA   TYR   1           HA       TYR   1  15.574  18.140   8.550
    3   1HB   TYR   1          HB1       TYR   1  15.597  18.449  11.600
    4   2HB   TYR   1          HB2       TYR   1  16.864  17.771  10.595
    5    HD1  TYR   1           HD1      TYR   1  16.132  20.471  12.583
    6    HD2  TYR   1           HD2      TYR   1  17.659  19.621   8.678
    7    HE1  TYR   1           HE1      TYR   1  17.317  22.720  12.549
    8    HE2  TYR   1           HE2      TYR   1  18.839  21.873   8.657
    9    HH   TYR   1           HH       TYR   1  18.940  23.858   9.645
   10    HA   PRO   2           HA       PRO   2  11.898  15.902   9.983
   11   1HB   PRO   2          HB1       PRO   2  11.061  14.961   7.558
   12   2HB   PRO   2          HB2       PRO   2  10.435  16.428   8.284
   13   1HG   PRO   2          HG1       PRO   2  12.340  16.137   6.043
   14   2HG   PRO   2          HG2       PRO   2  11.389  17.536   6.500
   15   1HD   PRO   2          HD1       PRO   2  14.189  17.135   6.976
   16   2HD   PRO   2          HD2       PRO   2  13.213  18.479   7.534
   17    H    SER   3           H        SER   3  13.822  14.722   7.257
   18    HA   SER   3           HA       SER   3  15.158  12.857   8.747
   19   1HB   SER   3          HB1       SER   3  12.437  12.045   8.175
   20   2HB   SER   3          HB2       SER   3  13.531  11.000   7.290
   21    HG   SER   3           HG       SER   3  14.410  10.233   9.158
   22    H    LYS   4           H        LYS   4  13.302  12.518   5.629
   23    HA   LYS   4           HA       LYS   4  15.788  12.950   4.178
   24   1HB   LYS   4          HB1       LYS   4  14.134  10.569   3.410
   25   2HB   LYS   4          HB2       LYS   4  15.818  10.915   3.074
   26   1HG   LYS   4          HG1       LYS   4  16.365  10.601   5.499
   27   2HG   LYS   4          HG2       LYS   4  14.680  10.250   5.831
   28   1HD   LYS   4          HD1       LYS   4  15.070   8.074   5.335
   29   2HD   LYS   4          HD2       LYS   4  15.387   8.535   3.674
   30   1HE   LYS   4          HE1       LYS   4  17.794   9.199   4.688
   31   2HE   LYS   4          HE2       LYS   4  17.346   8.029   5.913
   32   1HZ   LYS   4          HZ1       LYS   4  18.523   7.176   3.887
   33   2HZ   LYS   4          HZ2       LYS   4  17.173   6.366   4.322
   34   3HZ   LYS   4          HZ3       LYS   4  17.132   7.404   3.062
   35    HA   PRO   5           HA       PRO   5  12.382  15.119   2.284
   36   1HB   PRO   5          HB1       PRO   5  13.763  17.397   1.676
   37   2HB   PRO   5          HB2       PRO   5  12.875  17.185   3.172
   38   1HG   PRO   5          HG1       PRO   5  15.796  17.102   2.723
   39   2HG   PRO   5          HG2       PRO   5  14.922  17.317   4.226
   40   1HD   PRO   5          HD1       PRO   5  16.216  14.923   3.321
   41   2HD   PRO   5          HD2       PRO   5  15.245  15.106   4.768
   42    H    ASP   6           H        ASP   6  11.699  15.286   0.171
   43    HA   ASP   6           HA       ASP   6  13.464  15.576  -1.904
   44   1HB   ASP   6          HB1       ASP   6  14.327  13.342  -1.256
   45   2HB   ASP   6          HB2       ASP   6  12.709  12.673  -1.329
   46    H    ASN   7           H        ASN   7  10.652  13.484  -0.892
   47    HA   ASN   7           HA       ASN   7   8.921  15.053  -2.526
   48   1HB   ASN   7          HB1       ASN   7   9.936  13.215  -4.054
   49   2HB   ASN   7          HB2       ASN   7   9.082  12.047  -3.065
   50   1HD2  ASN   7          HD2       ASN   7   6.855  11.931  -3.094
   51   2HD2  ASN   7          HD2       ASN   7   5.876  12.667  -4.318
   52    HA   PRO   8           HA       PRO   8   6.925  13.423   1.152
   53   1HB   PRO   8          HB1       PRO   8   5.295  15.568   1.613
   54   2HB   PRO   8          HB2       PRO   8   6.912  15.433   2.276
   55   1HG   PRO   8          HG1       PRO   8   5.962  17.111   0.035
   56   2HG   PRO   8          HG2       PRO   8   7.432  17.266   0.977
   57   1HD   PRO   8          HD1       PRO   8   7.197  16.204  -1.677
   58   2HD   PRO   8          HD2       PRO   8   8.646  16.253  -0.692
   59    H    GLY   9           H        GLY   9   5.193  15.092  -1.422
   60   1HA   GLY   9          HA1       GLY   9   3.780  13.383  -2.657
   61   2HA   GLY   9          HA2       GLY   9   3.036  13.102  -1.096
   62    H    GLU  10           H        GLU  10   3.973  15.921  -3.203
   63    HA   GLU  10           HA       GLU  10   1.340  17.011  -2.576
   64   1HB   GLU  10          HB1       GLU  10   2.496  18.681  -1.548
   65   2HB   GLU  10          HB2       GLU  10   4.016  18.210  -2.280
   66   1HG   GLU  10          HG1       GLU  10   3.413  19.355  -4.383
   67   2HG   GLU  10          HG2       GLU  10   1.818  19.728  -3.761
   68    H    ASP  11           H        ASP  11   4.122  17.043  -4.907
   69    HA   ASP  11           HA       ASP  11   2.967  18.334  -6.956
   70   1HB   ASP  11          HB1       ASP  11   4.350  16.632  -8.415
   71   2HB   ASP  11          HB2       ASP  11   5.194  17.711  -7.323
   72    H    ALA  12           H        ALA  12   2.926  14.741  -6.321
   73    HA   ALA  12           HA       ALA  12   0.246  14.543  -7.307
   74   1HB   ALA  12          HB1       ALA  12   2.582  13.897  -9.024
   75   2HB   ALA  12          HB2       ALA  12   1.328  12.638  -8.940
   76   3HB   ALA  12          HB3       ALA  12   0.904  14.283  -9.472
   77    HA   PRO  13           HA       PRO  13   1.257  11.572  -4.140
   78   1HB   PRO  13          HB1       PRO  13  -1.102  11.763  -2.772
   79   2HB   PRO  13          HB2       PRO  13   0.301  12.746  -2.405
   80   1HG   PRO  13          HG1       PRO  13  -2.189  13.517  -3.798
   81   2HG   PRO  13          HG2       PRO  13  -0.983  14.548  -3.053
   82   1HD   PRO  13          HD1       PRO  13  -1.327  14.058  -5.859
   83   2HD   PRO  13          HD2       PRO  13  -0.051  14.996  -5.107
   84    H    ALA  14           H        ALA  14  -1.061  11.740  -6.564
   85    HA   ALA  14           HA       ALA  14  -2.428   9.349  -6.040
   86   1HB   ALA  14          HB1       ALA  14  -2.149  11.331  -8.197
   87   2HB   ALA  14          HB2       ALA  14  -2.434   9.679  -8.797
   88   3HB   ALA  14          HB3       ALA  14  -3.583  10.424  -7.659
   89    H    GLU  15           H        GLU  15   0.697  10.126  -7.590
   90    HA   GLU  15           HA       GLU  15   0.981   7.471  -8.585
   91   1HB   GLU  15          HB1       GLU  15   2.039   9.870  -9.331
   92   2HB   GLU  15          HB2       GLU  15   3.364   9.267  -8.356
   93   1HG   GLU  15          HG1       GLU  15   2.183   7.268 -10.231
   94   2HG   GLU  15          HG2       GLU  15   2.967   8.628 -11.009
   95    H    ASP  16           H        ASP  16   1.430   9.075  -5.562
   96    HA   ASP  16           HA       ASP  16   3.582   7.393  -4.726
   97   1HB   ASP  16          HB1       ASP  16   3.073   9.817  -3.947
   98   2HB   ASP  16          HB2       ASP  16   1.786   9.127  -2.978
   99    H    LEU  17           H        LEU  17   0.052   7.904  -4.017
  100    HA   LEU  17           HA       LEU  17  -0.171   5.833  -2.147
  101   1HB   LEU  17          HB1       LEU  17  -1.741   7.872  -3.046
  102   2HB   LEU  17          HB2       LEU  17  -2.541   6.490  -3.769
  103    HG   LEU  17           HG       LEU  17  -2.009   5.802  -1.062
  104   1HD1  LEU  17          HD1       LEU  17  -1.726   8.039  -0.382
  105   2HD1  LEU  17          HD1       LEU  17  -3.064   8.611  -1.407
  106   3HD1  LEU  17          HD1       LEU  17  -3.406   7.625   0.035
  107   1HD2  LEU  17          HD2       LEU  17  -4.366   6.213  -2.830
  108   2HD2  LEU  17          HD2       LEU  17  -3.868   4.792  -1.882
  109   3HD2  LEU  17          HD2       LEU  17  -4.655   6.169  -1.074
  110    H    ALA  18           H        ALA  18  -0.093   5.914  -5.685
  111    HA   ALA  18           HA       ALA  18  -1.351   3.490  -6.202
  112   1HB   ALA  18          HB1       ALA  18   0.626   3.740  -8.131
  113   2HB   ALA  18          HB2       ALA  18  -0.983   4.499  -8.192
  114   3HB   ALA  18          HB3       ALA  18   0.409   5.415  -7.567
  115    H    ARG  19           H        ARG  19   2.112   4.277  -5.488
  116    HA   ARG  19           HA       ARG  19   3.067   1.736  -5.832
  117   1HB   ARG  19          HB1       ARG  19   3.993   3.920  -3.900
  118   2HB   ARG  19          HB2       ARG  19   4.941   2.499  -4.290
  119   1HG   ARG  19          HG1       ARG  19   3.935   3.976  -6.670
  120   2HG   ARG  19          HG2       ARG  19   5.042   4.899  -5.673
  121   1HD   ARG  19          HD1       ARG  19   6.364   3.695  -7.326
  122   2HD   ARG  19          HD2       ARG  19   6.675   2.965  -5.764
  123    HE   ARG  19           HE       ARG  19   5.625   0.995  -6.489
  124   1HH1  ARG  19          HH1       ARG  19   3.951   0.302  -9.472
  125   2HH1  ARG  19          HH1       ARG  19   4.621  -0.370  -8.023
  126   1HH2  ARG  19          HH2       ARG  19   4.072   2.588  -9.855
  127   2HH2  ARG  19          HH2       ARG  19   4.833   3.622  -8.692
  128    H    TYR  20           H        TYR  20   1.136   3.154  -3.251
  129    HA   TYR  20           HA       TYR  20   1.797   1.044  -1.373
  130   1HB   TYR  20          HB1       TYR  20   1.416   3.175  -0.349
  131   2HB   TYR  20          HB2       TYR  20   0.226   3.638  -1.548
  132    HD1  TYR  20           HD1      TYR  20  -2.026   3.650  -0.953
  133    HD2  TYR  20           HD2      TYR  20   0.686   1.183   1.252
  134    HE1  TYR  20           HE1      TYR  20  -3.887   3.041   0.669
  135    HE2  TYR  20           HE2      TYR  20  -1.184   0.583   2.867
  136    HH   TYR  20           HH       TYR  20  -4.473   1.824   2.357
  137    H    TYR  21           H        TYR  21  -0.396   1.602  -3.987
  138    HA   TYR  21           HA       TYR  21  -2.369  -0.237  -2.852
  139   1HB   TYR  21          HB1       TYR  21  -2.217   2.050  -4.722
  140   2HB   TYR  21          HB2       TYR  21  -2.988   0.688  -5.511
  141    HD1  TYR  21           HD1      TYR  21  -3.162   2.732  -2.378
  142    HD2  TYR  21           HD2      TYR  21  -5.273   0.289  -5.186
  143    HE1  TYR  21           HE1      TYR  21  -5.359   3.305  -1.235
  144    HE2  TYR  21           HE2      TYR  21  -7.463   0.870  -4.033
  145    HH   TYR  21           HH       TYR  21  -7.693   3.394  -1.768
  146    H    SER  22           H        SER  22   0.077   0.133  -5.432
  147    HA   SER  22           HA       SER  22  -0.763  -2.060  -6.930
  148   1HB   SER  22          HB1       SER  22   1.513  -0.206  -6.856
  149   2HB   SER  22          HB2       SER  22   2.021  -1.823  -7.302
  150    HG   SER  22           HG       SER  22   1.008  -1.658  -9.195
  151    H    ALA  23           H        ALA  23   1.477  -1.649  -4.147
  152    HA   ALA  23           HA       ALA  23   2.344  -4.385  -4.261
  153   1HB   ALA  23          HB1       ALA  23   2.825  -1.980  -2.508
  154   2HB   ALA  23          HB2       ALA  23   3.288  -3.598  -1.928
  155   3HB   ALA  23          HB3       ALA  23   3.990  -2.958  -3.433
  156    H    LEU  24           H        LEU  24  -0.422  -2.666  -3.126
  157    HA   LEU  24           HA       LEU  24  -0.969  -4.227  -0.835
  158   1HB   LEU  24          HB1       LEU  24  -2.330  -2.189  -2.480
  159   2HB   LEU  24          HB2       LEU  24  -3.389  -3.301  -1.637
  160    HG   LEU  24           HG       LEU  24  -2.444  -0.990  -0.592
  161   1HD1  LEU  24          HD1       LEU  24  -3.227  -1.777   1.553
  162   2HD1  LEU  24          HD1       LEU  24  -4.274  -2.418   0.265
  163   3HD1  LEU  24          HD1       LEU  24  -3.062  -3.471   1.033
  164   1HD2  LEU  24          HD2       LEU  24  -0.124  -2.281  -0.632
  165   2HD2  LEU  24          HD2       LEU  24  -0.564  -1.167   0.685
  166   3HD2  LEU  24          HD2       LEU  24  -0.740  -2.924   0.910
  167    H    ARG  25           H        ARG  25  -0.849  -4.995  -4.147
  168    HA   ARG  25           HA       ARG  25  -2.971  -6.931  -3.923
  169   1HB   ARG  25          HB1       ARG  25  -2.588  -5.490  -6.016
  170   2HB   ARG  25          HB2       ARG  25  -1.120  -6.404  -6.299
  171   1HG   ARG  25          HG1       ARG  25  -2.436  -7.852  -7.467
  172   2HG   ARG  25          HG2       ARG  25  -2.968  -8.437  -5.903
  173   1HD   ARG  25          HD1       ARG  25  -4.841  -6.762  -5.922
  174   2HD   ARG  25          HD2       ARG  25  -4.315  -6.201  -7.497
  175    HE   ARG  25           HE       ARG  25  -5.828  -8.615  -6.947
  176   1HH1  ARG  25          HH1       ARG  25  -5.554  -9.854 -10.198
  177   2HH1  ARG  25          HH1       ARG  25  -6.387  -9.990  -8.685
  178   1HH2  ARG  25          HH2       ARG  25  -3.872  -8.276 -10.459
  179   2HH2  ARG  25          HH2       ARG  25  -3.449  -7.234  -9.141
  180    H    HIS  26           H        HIS  26   0.511  -6.612  -3.683
  181    HA   HIS  26           HA       HIS  26   0.889  -9.470  -4.061
  182   1HB   HIS  26          HB1       HIS  26   2.385  -7.365  -4.884
  183   2HB   HIS  26          HB2       HIS  26   3.175  -7.709  -3.358
  184    HD1  HIS  26           HD1      HIS  26   4.840  -9.602  -3.337
  185    HD2  HIS  26           HD2      HIS  26   2.321  -9.713  -6.690
  186    HE1  HIS  26           HE1      HIS  26   5.741 -11.451  -4.847
  187    H    TYR  27           H        TYR  27   0.544  -6.995  -1.597
  188    HA   TYR  27           HA       TYR  27   1.743  -8.660   0.450
  189   1HB   TYR  27          HB1       TYR  27   2.005  -6.169   0.415
  190   2HB   TYR  27          HB2       TYR  27   0.268  -5.960   0.308
  191    HD1  TYR  27           HD1      TYR  27  -1.037  -5.734   2.257
  192    HD2  TYR  27           HD2      TYR  27   2.953  -7.249   2.561
  193    HE1  TYR  27           HE1      TYR  27  -1.170  -5.596   4.792
  194    HE2  TYR  27           HE2      TYR  27   2.807  -7.106   5.095
  195    HH   TYR  27           HH       TYR  27  -0.183  -5.998   6.668
  196    H    ILE  28           H        ILE  28  -1.402  -7.991  -0.977
  197    HA   ILE  28           HA       ILE  28  -2.799  -8.999   1.353
  198    HB   ILE  28           HB       ILE  28  -3.666  -7.872  -1.301
  199   1HG1  ILE  28          1HG1      ILE  28  -2.860  -6.264   0.367
  200   2HG1  ILE  28          2HG1      ILE  28  -4.571  -6.065   0.041
  201   1HG2  ILE  28          1HG2      ILE  28  -5.280  -9.547  -0.911
  202   2HG2  ILE  28          2HG2      ILE  28  -5.332  -9.209   0.836
  203   3HG2  ILE  28          3HG2      ILE  28  -6.004  -8.033  -0.319
  204   1HD1  ILE  28          1HD1      ILE  28  -3.229  -6.771   2.553
  205   2HD1  ILE  28          2HD1      ILE  28  -4.891  -6.191   2.284
  206   3HD1  ILE  28          3HD1      ILE  28  -4.520  -7.927   2.146
  207    H    ASN  29           H        ASN  29  -1.122 -10.245  -1.329
  208    HA   ASN  29           HA       ASN  29  -2.724 -12.224  -2.261
  209   1HB   ASN  29          HB1       ASN  29  -0.513 -11.774  -3.229
  210   2HB   ASN  29          HB2       ASN  29   0.289 -12.203  -1.731
  211   1HD2  ASN  29          HD2       ASN  29   0.062 -13.235  -4.658
  212   2HD2  ASN  29          HD2       ASN  29  -0.048 -14.955  -4.490
  213    H    LEU  30           H        LEU  30  -0.858 -11.954   0.784
  214    HA   LEU  30           HA       LEU  30  -1.027 -14.677   1.508
  215   1HB   LEU  30          HB1       LEU  30   0.571 -13.833   2.785
  216   2HB   LEU  30          HB2       LEU  30  -0.009 -12.191   2.589
  217    HG   LEU  30           HG       LEU  30  -1.763 -12.729   4.361
  218   1HD1  LEU  30          HD1       LEU  30  -0.583 -15.325   4.105
  219   2HD1  LEU  30          HD1       LEU  30  -0.313 -14.724   5.759
  220   3HD1  LEU  30          HD1       LEU  30  -1.965 -14.808   5.100
  221   1HD2  LEU  30          HD2       LEU  30  -0.106 -12.465   6.234
  222   2HD2  LEU  30          HD2       LEU  30   1.188 -12.659   5.027
  223   3HD2  LEU  30          HD2       LEU  30   0.056 -11.291   4.905
  224    H    ALA  31           H        ALA  31  -3.357 -12.151   1.292
  225    HA   ALA  31           HA       ALA  31  -5.014 -13.187   3.419
  226   1HB   ALA  31          HB1       ALA  31  -6.293 -11.333   1.571
  227   2HB   ALA  31          HB2       ALA  31  -5.932 -11.136   3.302
  228   3HB   ALA  31          HB3       ALA  31  -4.699 -10.729   2.084
  229   1HN   AIB  32          1HN       AIB  32  -4.572 -15.349   1.932
  230   1HB1  AIB  32          1HB1      AIB  32  -5.657 -18.013  -0.291
  231   2HB1  AIB  32          2HB1      AIB  32  -5.059 -17.879   1.384
  232   3HB1  AIB  32          3HB1      AIB  32  -4.198 -17.050   0.075
  233   1HB2  AIB  32          1HB2      AIB  32  -7.524 -14.995  -0.668
  234   2HB2  AIB  32          2HB2      AIB  32  -6.583 -16.230  -1.521
  235   3HB2  AIB  32          3HB2      AIB  32  -5.799 -14.706  -1.027
  236    H    ARG  33           H        ARG  33  -6.394 -16.551   3.223
  237    HA   ARG  33           HA       ARG  33  -9.249 -16.930   2.852
  238   1HB   ARG  33          HB1       ARG  33  -7.791 -18.611   4.898
  239   2HB   ARG  33          HB2       ARG  33  -9.285 -18.961   4.051
  240   1HG   ARG  33          HG1       ARG  33  -6.559 -18.866   2.679
  241   2HG   ARG  33          HG2       ARG  33  -7.275 -20.340   3.300
  242   1HD   ARG  33          HD1       ARG  33  -8.971 -18.652   1.468
  243   2HD   ARG  33          HD2       ARG  33  -7.639 -19.531   0.744
  244    HE   ARG  33           HE       ARG  33 -10.082 -20.682   1.870
  245   1HH1  ARG  33          HH1       ARG  33  -9.038 -23.961   1.292
  246   2HH1  ARG  33          HH1       ARG  33 -10.378 -22.941   1.697
  247   1HH2  ARG  33          HH2       ARG  33  -6.943 -23.033   0.925
  248   2HH2  ARG  33          HH2       ARG  33  -6.719 -21.321   1.056
  249    H    GLN  34           H        GLN  34  -6.477 -16.375   5.109
  250    HA   GLN  34           HA       GLN  34  -7.784 -15.783   7.376
  251   1HB   GLN  34          HB1       GLN  34  -5.179 -15.422   6.345
  252   2HB   GLN  34          HB2       GLN  34  -5.654 -13.829   6.898
  253   1HG   GLN  34          HG1       GLN  34  -6.262 -14.761   9.125
  254   2HG   GLN  34          HG2       GLN  34  -5.849 -16.374   8.578
  255   1HE2  GLN  34          1HE2      GLN  34  -4.280 -16.643  10.126
  256   2HE2  GLN  34          2HE2      GLN  34  -2.740 -15.852  10.083
  257    H    ARG  35           H        ARG  35  -7.816 -13.988   4.359
  258    HA   ARG  35           HA       ARG  35  -8.812 -11.632   5.665
  259   1HB   ARG  35          HB1       ARG  35  -7.458 -12.189   3.208
  260   2HB   ARG  35          HB2       ARG  35  -9.039 -11.587   2.751
  261   1HG   ARG  35          HG1       ARG  35  -7.004 -10.205   4.556
  262   2HG   ARG  35          HG2       ARG  35  -7.524  -9.685   2.966
  263   1HD   ARG  35          HD1       ARG  35  -9.932  -9.921   4.425
  264   2HD   ARG  35          HD2       ARG  35  -8.803  -9.237   5.578
  265    HE   ARG  35           HE       ARG  35  -8.670  -7.271   4.282
  266   1HH1  ARG  35          HH1       ARG  35 -10.329  -6.466   1.319
  267   2HH1  ARG  35          HH1       ARG  35  -9.379  -5.857   2.633
  268   1HH2  ARG  35          HH2       ARG  35 -10.882  -8.719   1.234
  269   2HH2  ARG  35          HH2       ARG  35 -10.345  -9.790   2.484
  270    H    TYR  36           H        TYR  36 -10.371 -14.121   5.889
  271    HA   TYR  36           HA       TYR  36 -12.886 -13.096   4.975
  272   1HB   TYR  36          HB1       TYR  36 -12.661 -14.302   2.973
  273   2HB   TYR  36          HB2       TYR  36 -11.304 -15.221   3.593
  274    HD1  TYR  36           HD1      TYR  36 -15.010 -14.965   4.181
  275    HD2  TYR  36           HD2      TYR  36 -11.593 -17.510   3.785
  276    HE1  TYR  36           HE1      TYR  36 -16.497 -17.012   4.424
  277    HE2  TYR  36           HE2      TYR  36 -13.093 -19.549   4.029
  278    HH   TYR  36           HH       TYR  36 -16.605 -19.188   4.236
  279   1HN   NH2  37          HN1       NH2 237 -11.245 -16.112   5.979
  280   2HN   NH2  37          HN2       NH2 237 -12.280 -16.462   7.323
  Start of MODEL   30
    1    H    TYR   1           H        TYR   1   3.252   6.018 -20.169
    2    HA   TYR   1           HA       TYR   1   3.875   4.077 -19.286
    3   1HB   TYR   1          HB1       TYR   1   3.640   5.491 -16.577
    4   2HB   TYR   1          HB2       TYR   1   4.876   4.352 -17.074
    5    HD1  TYR   1           HD1      TYR   1   6.644   5.082 -18.726
    6    HD2  TYR   1           HD2      TYR   1   3.897   7.836 -16.945
    7    HE1  TYR   1           HE1      TYR   1   8.165   7.018 -19.357
    8    HE2  TYR   1           HE2      TYR   1   5.427   9.764 -17.583
    9    HH   TYR   1           HH       TYR   1   8.605   9.297 -18.547
   10    HA   PRO   2           HA       PRO   2  -0.281   3.099 -17.660
   11   1HB   PRO   2          HB1       PRO   2  -1.257   1.710 -19.801
   12   2HB   PRO   2          HB2       PRO   2  -1.590   3.409 -19.528
   13   1HG   PRO   2          HG1       PRO   2   0.248   2.172 -21.485
   14   2HG   PRO   2          HG2       PRO   2  -0.415   3.795 -21.475
   15   1HD   PRO   2          HD1       PRO   2   2.245   3.022 -20.729
   16   2HD   PRO   2          HD2       PRO   2   1.547   4.625 -20.609
   17    H    SER   3           H        SER   3  -0.754   1.350 -16.419
   18    HA   SER   3           HA       SER   3  -0.670  -0.756 -15.790
   19   1HB   SER   3          HB1       SER   3  -0.089  -1.125 -18.444
   20   2HB   SER   3          HB2       SER   3   1.398  -1.707 -17.723
   21    HG   SER   3           HG       SER   3   0.094  -3.145 -16.371
   22    H    LYS   4           H        LYS   4   2.611   0.012 -17.189
   23    HA   LYS   4           HA       LYS   4   3.798  -0.766 -14.655
   24   1HB   LYS   4          HB1       LYS   4   5.371   0.156 -17.038
   25   2HB   LYS   4          HB2       LYS   4   5.795  -1.016 -15.806
   26   1HG   LYS   4          HG1       LYS   4   3.757  -1.376 -18.049
   27   2HG   LYS   4          HG2       LYS   4   5.288  -2.212 -17.876
   28   1HD   LYS   4          HD1       LYS   4   4.499  -3.346 -15.837
   29   2HD   LYS   4          HD2       LYS   4   3.015  -2.415 -15.846
   30   1HE   LYS   4          HE1       LYS   4   2.082  -4.068 -17.094
   31   2HE   LYS   4          HE2       LYS   4   3.102  -3.555 -18.423
   32   1HZ   LYS   4          HZ1       LYS   4   4.841  -5.013 -17.340
   33   2HZ   LYS   4          HZ2       LYS   4   3.623  -5.666 -16.469
   34   3HZ   LYS   4          HZ3       LYS   4   3.608  -5.769 -18.099
   35    HA   PRO   5           HA       PRO   5   4.459   3.294 -13.352
   36   1HB   PRO   5          HB1       PRO   5   6.744   3.079 -11.869
   37   2HB   PRO   5          HB2       PRO   5   5.166   2.605 -11.272
   38   1HG   PRO   5          HG1       PRO   5   7.397   0.890 -12.181
   39   2HG   PRO   5          HG2       PRO   5   6.008   0.459 -11.203
   40   1HD   PRO   5          HD1       PRO   5   6.395  -0.122 -13.985
   41   2HD   PRO   5          HD2       PRO   5   4.959  -0.450 -13.035
   42    H    ASP   6           H        ASP   6   6.266   5.101 -13.038
   43    HA   ASP   6           HA       ASP   6   7.639   5.031 -15.609
   44   1HB   ASP   6          HB1       ASP   6   7.531   7.516 -15.543
   45   2HB   ASP   6          HB2       ASP   6   5.934   6.797 -15.495
   46    H    ASN   7           H        ASN   7   9.597   6.837 -15.439
   47    HA   ASN   7           HA       ASN   7  11.443   5.762 -13.729
   48   1HB   ASN   7          HB1       ASN   7  11.261   8.052 -15.582
   49   2HB   ASN   7          HB2       ASN   7  12.301   8.419 -14.221
   50   1HD2  ASN   7          HD2       ASN   7  12.101   7.027 -17.230
   51   2HD2  ASN   7          HD2       ASN   7  13.554   6.085 -17.248
   52    HA   PRO   8           HA       PRO   8  10.839   8.025 -10.020
   53   1HB   PRO   8          HB1       PRO   8  13.366   8.349  -9.032
   54   2HB   PRO   8          HB2       PRO   8  12.470   6.850  -8.896
   55   1HG   PRO   8          HG1       PRO   8  14.719   7.508 -10.698
   56   2HG   PRO   8          HG2       PRO   8  14.099   5.932 -10.246
   57   1HD   PRO   8          HD1       PRO   8  13.660   7.301 -12.728
   58   2HD   PRO   8          HD2       PRO   8  12.947   5.780 -12.230
   59    H    GLY   9           H        GLY   9  10.102  10.005  -9.605
   60   1HA   GLY   9          HA1       GLY   9  11.190  12.283  -9.239
   61   2HA   GLY   9          HA2       GLY   9  11.589  12.173 -10.942
   62    H    GLU  10           H        GLU  10   8.752  11.836  -8.697
   63    HA   GLU  10           HA       GLU  10   7.222  13.276 -10.714
   64   1HB   GLU  10          HB1       GLU  10   5.863  11.184  -9.020
   65   2HB   GLU  10          HB2       GLU  10   5.404  11.800 -10.595
   66   1HG   GLU  10          HG1       GLU  10   7.865  10.064 -10.079
   67   2HG   GLU  10          HG2       GLU  10   6.329   9.450 -10.659
   68    H    ASP  11           H        ASP  11   7.215  12.080  -7.277
   69    HA   ASP  11           HA       ASP  11   6.489  12.976  -5.434
   70   1HB   ASP  11          HB1       ASP  11   7.598  15.444  -6.831
   71   2HB   ASP  11          HB2       ASP  11   6.997  15.519  -5.186
   72    H    ALA  12           H        ALA  12   4.190  12.706  -5.545
   73    HA   ALA  12           HA       ALA  12   2.582  14.919  -5.462
   74   1HB   ALA  12          HB1       ALA  12   1.510  14.032  -7.904
   75   2HB   ALA  12          HB2       ALA  12   2.361  15.567  -7.606
   76   3HB   ALA  12          HB3       ALA  12   3.262  14.148  -8.191
   77    HA   PRO  13           HA       PRO  13  -0.151  11.781  -4.284
   78   1HB   PRO  13          HB1       PRO  13  -2.630  12.846  -4.719
   79   2HB   PRO  13          HB2       PRO  13  -1.636  13.265  -3.338
   80   1HG   PRO  13          HG1       PRO  13  -2.189  14.848  -5.772
   81   2HG   PRO  13          HG2       PRO  13  -1.569  15.393  -4.226
   82   1HD   PRO  13          HD1       PRO  13  -0.062  14.988  -6.634
   83   2HD   PRO  13          HD2       PRO  13   0.574  15.420  -5.059
   84    H    ALA  14           H        ALA  14  -1.794  10.134  -4.811
   85    HA   ALA  14           HA       ALA  14  -2.883   8.844  -6.286
   86   1HB   ALA  14          HB1       ALA  14  -3.591   9.705  -8.266
   87   2HB   ALA  14          HB2       ALA  14  -2.864  11.215  -7.667
   88   3HB   ALA  14          HB3       ALA  14  -1.945  10.161  -8.769
   89    H    GLU  15           H        GLU  15   0.298  10.087  -7.518
   90    HA   GLU  15           HA       GLU  15   0.956   7.446  -8.404
   91   1HB   GLU  15          HB1       GLU  15   1.756  10.091  -9.072
   92   2HB   GLU  15          HB2       GLU  15   3.190   9.317  -8.427
   93   1HG   GLU  15          HG1       GLU  15   3.178   8.837 -10.785
   94   2HG   GLU  15          HG2       GLU  15   2.730   7.344  -9.983
   95    H    ASP  16           H        ASP  16   0.948   9.038  -5.438
   96    HA   ASP  16           HA       ASP  16   3.393   7.762  -4.554
   97   1HB   ASP  16          HB1       ASP  16   1.624   9.974  -3.554
   98   2HB   ASP  16          HB2       ASP  16   2.440   9.021  -2.330
   99    H    LEU  17           H        LEU  17  -0.138   7.617  -4.461
  100    HA   LEU  17           HA       LEU  17  -0.128   5.768  -2.217
  101   1HB   LEU  17          HB1       LEU  17  -1.820   7.756  -2.889
  102   2HB   LEU  17          HB2       LEU  17  -2.620   6.413  -3.681
  103    HG   LEU  17           HG       LEU  17  -1.869   5.671  -0.985
  104   1HD1  LEU  17          HD1       LEU  17  -3.598   8.148  -1.231
  105   2HD1  LEU  17          HD1       LEU  17  -3.335   7.196   0.250
  106   3HD1  LEU  17          HD1       LEU  17  -1.975   8.061  -0.506
  107   1HD2  LEU  17          HD2       LEU  17  -4.695   6.051  -1.905
  108   2HD2  LEU  17          HD2       LEU  17  -3.682   4.806  -2.674
  109   3HD2  LEU  17          HD2       LEU  17  -3.974   4.755  -0.919
  110    H    ALA  18           H        ALA  18   0.058   5.809  -5.676
  111    HA   ALA  18           HA       ALA  18  -1.300   3.408  -6.219
  112   1HB   ALA  18          HB1       ALA  18  -0.812   4.044  -8.319
  113   2HB   ALA  18          HB2       ALA  18   0.049   5.442  -7.630
  114   3HB   ALA  18          HB3       ALA  18   0.936   3.944  -8.000
  115    H    ARG  19           H        ARG  19   2.168   4.195  -5.528
  116    HA   ARG  19           HA       ARG  19   3.119   1.653  -5.882
  117   1HB   ARG  19          HB1       ARG  19   5.030   2.403  -4.429
  118   2HB   ARG  19          HB2       ARG  19   4.605   3.597  -5.640
  119   1HG   ARG  19          HG1       ARG  19   4.051   5.139  -4.061
  120   2HG   ARG  19          HG2       ARG  19   3.028   4.002  -3.205
  121   1HD   ARG  19          HD1       ARG  19   5.862   3.323  -2.851
  122   2HD   ARG  19          HD2       ARG  19   5.553   4.978  -2.366
  123    HE   ARG  19           HE       ARG  19   3.552   3.101  -1.346
  124   1HH1  ARG  19          HH1       ARG  19   4.805   3.236   1.909
  125   2HH1  ARG  19          HH1       ARG  19   3.480   2.740   0.910
  126   1HH2  ARG  19          HH2       ARG  19   6.653   4.267   0.957
  127   2HH2  ARG  19          HH2       ARG  19   6.707   4.541  -0.752
  128    H    TYR  20           H        TYR  20   1.209   3.068  -3.284
  129    HA   TYR  20           HA       TYR  20   1.884   0.955  -1.415
  130   1HB   TYR  20          HB1       TYR  20   1.517   3.084  -0.383
  131   2HB   TYR  20          HB2       TYR  20   0.316   3.552  -1.571
  132    HD1  TYR  20           HD1      TYR  20  -1.986   3.352  -1.099
  133    HD2  TYR  20           HD2      TYR  20   0.853   1.307   1.363
  134    HE1  TYR  20           HE1      TYR  20  -3.833   2.745   0.539
  135    HE2  TYR  20           HE2      TYR  20  -1.004   0.707   2.993
  136    HH   TYR  20           HH       TYR  20  -4.060   0.672   2.307
  137    H    TYR  21           H        TYR  21  -0.324   1.515  -4.013
  138    HA   TYR  21           HA       TYR  21  -2.295  -0.317  -2.863
  139   1HB   TYR  21          HB1       TYR  21  -2.150   1.968  -4.736
  140   2HB   TYR  21          HB2       TYR  21  -2.930   0.607  -5.518
  141    HD1  TYR  21           HD1      TYR  21  -3.850   3.498  -4.266
  142    HD2  TYR  21           HD2      TYR  21  -4.440  -0.628  -3.298
  143    HE1  TYR  21           HE1      TYR  21  -6.036   4.075  -3.102
  144    HE2  TYR  21           HE2      TYR  21  -6.624  -0.036  -2.138
  145    HH   TYR  21           HH       TYR  21  -8.109   2.982  -2.525
  146    H    SER  22           H        SER  22   0.135   0.043  -5.458
  147    HA   SER  22           HA       SER  22  -0.722  -2.151  -6.946
  148   1HB   SER  22          HB1       SER  22   1.420  -0.221  -7.001
  149   2HB   SER  22          HB2       SER  22   2.127  -1.812  -7.199
  150    HG   SER  22           HG       SER  22   1.559  -1.097  -9.263
  151    H    ALA  23           H        ALA  23   1.549  -1.736  -4.189
  152    HA   ALA  23           HA       ALA  23   2.408  -4.474  -4.303
  153   1HB   ALA  23          HB1       ALA  23   4.097  -3.182  -3.436
  154   2HB   ALA  23          HB2       ALA  23   2.973  -2.022  -2.688
  155   3HB   ALA  23          HB3       ALA  23   3.279  -3.593  -1.909
  156    H    LEU  24           H        LEU  24  -0.349  -2.755  -3.156
  157    HA   LEU  24           HA       LEU  24  -0.876  -4.308  -0.852
  158   1HB   LEU  24          HB1       LEU  24  -2.244  -2.268  -2.487
  159   2HB   LEU  24          HB2       LEU  24  -3.303  -3.380  -1.643
  160    HG   LEU  24           HG       LEU  24  -2.359  -1.074  -0.594
  161   1HD1  LEU  24          HD1       LEU  24  -2.733  -2.444   1.694
  162   2HD1  LEU  24          HD1       LEU  24  -4.059  -1.921   0.628
  163   3HD1  LEU  24          HD1       LEU  24  -3.448  -3.590   0.535
  164   1HD2  LEU  24          HD2       LEU  24  -0.467  -1.243   0.665
  165   2HD2  LEU  24          HD2       LEU  24  -0.630  -3.002   0.888
  166   3HD2  LEU  24          HD2       LEU  24  -0.032  -2.352  -0.658
  167    H    ARG  25           H        ARG  25  -0.797  -5.075  -4.170
  168    HA   ARG  25           HA       ARG  25  -2.914  -7.013  -3.919
  169   1HB   ARG  25          HB1       ARG  25  -2.552  -5.573  -6.017
  170   2HB   ARG  25          HB2       ARG  25  -1.089  -6.489  -6.316
  171   1HG   ARG  25          HG1       ARG  25  -2.412  -7.948  -7.459
  172   2HG   ARG  25          HG2       ARG  25  -2.949  -8.514  -5.890
  173   1HD   ARG  25          HD1       ARG  25  -4.810  -6.831  -5.925
  174   2HD   ARG  25          HD2       ARG  25  -4.275  -6.275  -7.498
  175    HE   ARG  25           HE       ARG  25  -4.606  -9.042  -7.793
  176   1HH1  ARG  25          HH1       ARG  25  -8.033  -9.166  -8.444
  177   2HH1  ARG  25          HH1       ARG  25  -6.524 -10.004  -8.581
  178   1HH2  ARG  25          HH2       ARG  25  -8.107  -7.065  -7.460
  179   2HH2  ARG  25          HH2       ARG  25  -6.654  -6.336  -6.863
  180    H    HIS  26           H        HIS  26   0.571  -6.695  -3.720
  181    HA   HIS  26           HA       HIS  26   0.967  -9.540  -4.134
  182   1HB   HIS  26          HB1       HIS  26   2.457  -7.441  -4.911
  183   2HB   HIS  26          HB2       HIS  26   3.205  -7.733  -3.354
  184    HD1  HIS  26           HD1      HIS  26   3.228  -8.884  -6.824
  185    HD2  HIS  26           HD2      HIS  26   4.212 -10.516  -3.087
  186    HE1  HIS  26           HE1      HIS  26   4.686 -10.924  -7.297
  187    H    TYR  27           H        TYR  27   0.660  -7.099  -1.604
  188    HA   TYR  27           HA       TYR  27   1.802  -8.827   0.412
  189   1HB   TYR  27          HB1       TYR  27   2.088  -6.375   0.535
  190   2HB   TYR  27          HB2       TYR  27   0.381  -6.107   0.246
  191    HD1  TYR  27           HD1      TYR  27   2.619  -7.808   2.737
  192    HD2  TYR  27           HD2      TYR  27  -0.971  -5.582   2.061
  193    HE1  TYR  27           HE1      TYR  27   2.206  -7.699   5.244
  194    HE2  TYR  27           HE2      TYR  27  -1.372  -5.480   4.570
  195    HH   TYR  27           HH       TYR  27  -0.750  -6.817   6.545
  196    H    ILE  28           H        ILE  28  -1.390  -7.892  -0.875
  197    HA   ILE  28           HA       ILE  28  -2.779  -9.053   1.355
  198    HB   ILE  28           HB       ILE  28  -3.672  -7.914  -1.291
  199   1HG1  ILE  28          1HG1      ILE  28  -2.697  -6.369   0.450
  200   2HG1  ILE  28          2HG1      ILE  28  -4.324  -5.991  -0.082
  201   1HG2  ILE  28          1HG2      ILE  28  -5.137  -9.530   0.676
  202   2HG2  ILE  28          2HG2      ILE  28  -5.906  -7.971   0.294
  203   3HG2  ILE  28          3HG2      ILE  28  -5.534  -9.123  -1.011
  204   1HD1  ILE  28          1HD1      ILE  28  -3.468  -6.386   2.579
  205   2HD1  ILE  28          2HD1      ILE  28  -5.150  -6.244   2.013
  206   3HD1  ILE  28          3HD1      ILE  28  -4.399  -7.849   2.175
  207    H    ASN  29           H        ASN  29  -1.128 -10.226  -1.389
  208    HA   ASN  29           HA       ASN  29  -2.762 -12.189  -2.324
  209   1HB   ASN  29          HB1       ASN  29  -0.536 -11.606  -3.297
  210   2HB   ASN  29          HB2       ASN  29   0.271 -12.273  -1.891
  211   1HD2  ASN  29          HD2       ASN  29  -0.663 -12.855  -4.988
  212   2HD2  ASN  29          HD2       ASN  29  -0.661 -14.587  -5.023
  213    H    LEU  30           H        LEU  30  -1.243 -11.806   0.796
  214    HA   LEU  30           HA       LEU  30  -1.275 -14.635   1.406
  215   1HB   LEU  30          HB1       LEU  30   0.155 -14.137   3.029
  216   2HB   LEU  30          HB2       LEU  30   0.344 -12.620   2.172
  217    HG   LEU  30           HG       LEU  30   0.088 -11.979   4.393
  218   1HD1  LEU  30          HD1       LEU  30  -1.497 -10.438   4.110
  219   2HD1  LEU  30          HD1       LEU  30  -1.847 -11.239   2.560
  220   3HD1  LEU  30          HD1       LEU  30  -2.788 -11.659   4.011
  221   1HD2  LEU  30          HD2       LEU  30  -2.374 -13.215   5.238
  222   2HD2  LEU  30          HD2       LEU  30  -1.215 -14.455   4.702
  223   3HD2  LEU  30          HD2       LEU  30  -0.754 -13.294   5.969
  224    H    ALA  31           H        ALA  31  -3.389 -11.879   1.499
  225    HA   ALA  31           HA       ALA  31  -5.107 -13.265   3.437
  226   1HB   ALA  31          HB1       ALA  31  -4.250 -10.557   3.191
  227   2HB   ALA  31          HB2       ALA  31  -5.986 -10.596   2.798
  228   3HB   ALA  31          HB3       ALA  31  -5.412 -11.240   4.355
  229   1HN   AIB  32          1HN       AIB  32  -7.217 -13.819   2.822
  230   1HB1  AIB  32          1HB1      AIB  32  -8.285 -15.736  -0.120
  231   2HB1  AIB  32          2HB1      AIB  32  -6.611 -15.176   0.138
  232   3HB1  AIB  32          3HB1      AIB  32  -7.596 -14.440  -1.139
  233   1HB2  AIB  32          1HB2      AIB  32  -9.650 -12.210   0.535
  234   2HB2  AIB  32          2HB2      AIB  32  -8.684 -12.626  -0.891
  235   3HB2  AIB  32          3HB2      AIB  32  -7.944 -11.693   0.437
  236    H    ARG  33           H        ARG  33  -8.147 -15.328   3.072
  237    HA   ARG  33           HA       ARG  33 -11.030 -15.650   2.884
  238   1HB   ARG  33          HB1       ARG  33  -8.822 -17.481   3.478
  239   2HB   ARG  33          HB2       ARG  33  -9.976 -17.487   4.796
  240   1HG   ARG  33          HG1       ARG  33 -10.976 -17.667   1.941
  241   2HG   ARG  33          HG2       ARG  33 -10.327 -19.098   2.718
  242   1HD   ARG  33          HD1       ARG  33 -12.380 -19.405   3.648
  243   2HD   ARG  33          HD2       ARG  33 -12.043 -18.023   4.672
  244    HE   ARG  33           HE       ARG  33 -13.501 -16.723   3.374
  245   1HH1  ARG  33          HH1       ARG  33 -15.197 -17.497   0.423
  246   2HH1  ARG  33          HH1       ARG  33 -15.033 -16.357   1.718
  247   1HH2  ARG  33          HH2       ARG  33 -13.862 -19.394   0.371
  248   2HH2  ARG  33          HH2       ARG  33 -12.701 -19.672   1.627
  249    H    GLN  34           H        GLN  34  -8.255 -14.878   5.039
  250    HA   GLN  34           HA       GLN  34  -9.541 -14.760   7.427
  251   1HB   GLN  34          HB1       GLN  34  -7.105 -13.580   6.235
  252   2HB   GLN  34          HB2       GLN  34  -7.753 -12.629   7.556
  253   1HG   GLN  34          HG1       GLN  34  -6.170 -14.280   8.446
  254   2HG   GLN  34          HG2       GLN  34  -7.784 -14.663   9.011
  255   1HE2  GLN  34          1HE2      GLN  34  -8.447 -16.658   8.813
  256   2HE2  GLN  34          2HE2      GLN  34  -7.838 -17.864   7.730
  257    H    ARG  35           H        ARG  35  -9.412 -12.312   4.790
  258    HA   ARG  35           HA       ARG  35 -11.129 -10.620   6.388
  259   1HB   ARG  35          HB1       ARG  35  -9.277 -10.212   4.063
  260   2HB   ARG  35          HB2       ARG  35 -10.706  -9.197   4.077
  261   1HG   ARG  35          HG1       ARG  35 -10.016  -8.836   6.648
  262   2HG   ARG  35          HG2       ARG  35  -8.432  -9.302   6.060
  263   1HD   ARG  35          HD1       ARG  35  -8.614  -6.870   5.918
  264   2HD   ARG  35          HD2       ARG  35  -8.592  -7.512   4.288
  265    HE   ARG  35           HE       ARG  35 -11.313  -7.308   5.238
  266   1HH1  ARG  35          HH1       ARG  35 -11.972  -4.272   3.648
  267   2HH1  ARG  35          HH1       ARG  35 -12.666  -5.654   4.427
  268   1HH2  ARG  35          HH2       ARG  35  -9.668  -4.100   3.426
  269   2HH2  ARG  35          HH2       ARG  35  -8.643  -5.354   4.041
  270    H    TYR  36           H        TYR  36 -12.009 -13.208   5.124
  271    HA   TYR  36           HA       TYR  36 -13.574 -14.046   3.769
  272   1HB   TYR  36          HB1       TYR  36 -14.982 -11.367   4.258
  273   2HB   TYR  36          HB2       TYR  36 -15.721 -12.956   4.204
  274    HD1  TYR  36           HD1      TYR  36 -14.532 -10.385   6.327
  275    HD2  TYR  36           HD2      TYR  36 -14.958 -14.636   6.095
  276    HE1  TYR  36           HE1      TYR  36 -14.390 -10.545   8.860
  277    HE2  TYR  36           HE2      TYR  36 -14.814 -14.782   8.629
  278    HH   TYR  36           HH       TYR  36 -13.607 -13.055  10.464
  279   1HN   NH2  37          HN1       NH2 237 -12.580 -14.041   1.778
  280   2HN   NH2  37          HN2       NH2 237 -12.914 -12.871   0.544