*HEADER    ELECTRON TRANSPORT                      11-JUL-02   1M60              
*TITLE     SOLUTION STRUCTURE OF ZINC-SUBSTITUTED CYTOCHROME C                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZINC-SUBSTITUTED CYTOCHROME C;                             
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS;                                 
*SOURCE   3 ORGANISM_COMMON: HORSE;                                              
*SOURCE   4 TISSUE: HEART                                                        
*KEYWDS    SIX-COORDINATED ZINC CYT C                                            
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    Q.CHENGMIN, Y.YONG, T.YUFENG, W.JINGENG, T.WENXIA                     
*REVDAT   1   07-AUG-02 1M60    0                                                
1   GLY   H1    2     ASP-    HN      4.00    
1   GLY   H1    93    ASP-    HA      4.30    
1   GLY   H1    96    ALA     QB      5.70    
1   GLY   HA2   2     ASP-    HN      3.60    
1   GLY   HA2   93    ASP-    HA      4.00    
1   GLY   HA2   96    ALA     QB      5.40    
1   GLY   HA3   2     ASP-    HN      3.60    
1   GLY   HA3   93    ASP-    HA      4.00    
1   GLY   HA3   96    ALA     QB      5.40    
1   GLY   QA    2     ASP-    QB      5.55    
1   GLY   QA    93    ASP-    HA      3.65    
1   GLY   QA    93    ASP-    QB      7.75    
1   GLY   QA    96    ALA     HN      5.08    
1   GLY   QA    96    ALA     QB      5.08    
2   ASP-  HN    2     ASP-    HB2     3.60    
2   ASP-  HN    2     ASP-    HB3     3.60    
2   ASP-  HN    2     ASP-    QB      3.39    
2   ASP-  HN    3     VAL     HN      4.80    
2   ASP-  HN    4     GLU-    HN      5.40    
2   ASP-  HN    5     LYS+    QB      6.90    
2   ASP-  HN    6     GLY     HN      6.00    
2   ASP-  HN    93    ASP-    HN      5.50    
2   ASP-  HN    93    ASP-    HA      3.10    
2   ASP-  HN    93    ASP-    QB      6.88    
2   ASP-  HN    96    ALA     QB      6.00    
2   ASP-  HA    3     VAL     HN      3.30    
2   ASP-  HA    3     VAL     QG1     6.60    
2   ASP-  HA    4     GLU-    HN      4.40    
2   ASP-  HB2   3     VAL     HN      4.50    
2   ASP-  HB2   5     LYS+    HN      4.80    
2   ASP-  HB2   5     LYS+    HA      5.50    
2   ASP-  HB2   5     LYS+    QB      5.60    
2   ASP-  HB3   3     VAL     HN      4.50    
2   ASP-  HB3   5     LYS+    HN      4.80    
2   ASP-  HB3   5     LYS+    HA      5.50    
2   ASP-  HB3   5     LYS+    QB      5.60    
2   ASP-  QB    3     VAL     HN      4.21    
2   ASP-  QB    4     GLU-    HN      6.48    
2   ASP-  QB    5     LYS+    HN      4.47    
2   ASP-  QB    5     LYS+    QB      5.43    
2   ASP-  QB    5     LYS+    QD      7.88    
2   ASP-  QB    6     GLY     HN      6.88    
2   ASP-  QB    96    ALA     QB      6.28    
3   VAL   HN    3     VAL     HB      3.50    
3   VAL   HN    3     VAL     QG1     4.30    
3   VAL   HN    3     VAL     QG2     4.40    
3   VAL   HN    4     GLU-    HN      3.40    
3   VAL   HN    96    ALA     QB      6.90    
3   VAL   HN    97    TYR     HA      4.90    
3   VAL   HA    3     VAL     QG2     3.70    
3   VAL   HA    5     LYS+    HN      4.60    
3   VAL   HA    6     GLY     HN      4.00    
3   VAL   HA    6     GLY     QA      4.78    
3   VAL   HA    7     LYS+    HN      4.00    
3   VAL   HA    96    ALA     QB      5.40    
3   VAL   HA    97    TYR     HA      3.90    
3   VAL   HA    97    TYR     HD1     4.70    
3   VAL   HB    4     GLU-    HN      3.50    
3   VAL   HB    4     GLU-    HA      4.50    
3   VAL   HB    6     GLY     HN      5.40    
3   VAL   HB    97    TYR     HA      4.30    
3   VAL   HB    97    TYR     HD1     4.70    
3   VAL   QG1   4     GLU-    HN      4.60    
3   VAL   QG1   4     GLU-    HA      6.30    
3   VAL   QG1   4     GLU-    QB      6.38    
3   VAL   QG1   96    ALA     QB      6.30    
3   VAL   QG1   97    TYR     HN      7.00    
3   VAL   QG1   97    TYR     HA      5.20    
3   VAL   QG1   97    TYR     HB2     6.00    
3   VAL   QG1   97    TYR     HD1     5.80    
3   VAL   QG2   4     GLU-    HN      5.10    
3   VAL   QG2   4     GLU-    HA      6.50    
3   VAL   QG2   96    ALA     QB      6.60    
3   VAL   QG2   97    TYR     HN      6.50    
3   VAL   QG2   97    TYR     HA      4.30    
3   VAL   QG2   97    TYR     HB2     5.30    
3   VAL   QG2   97    TYR     HD1     5.00    
3   VAL   QG2   97    TYR     HD2     6.90    
3   VAL   QG2   97    TYR     HE1     6.80    
4   GLU-  HN    4     GLU-    HB2     3.50    
4   GLU-  HN    4     GLU-    HB3     3.50    
4   GLU-  HN    4     GLU-    QB      3.24    
4   GLU-  HN    4     GLU-    HG2     3.40    
4   GLU-  HN    4     GLU-    HG3     3.40    
4   GLU-  HN    4     GLU-    QG      3.13    
4   GLU-  HN    6     GLY     HN      3.90    
4   GLU-  HA    4     GLU-    HB2     3.00    
4   GLU-  HA    4     GLU-    HB3     3.00    
4   GLU-  HA    4     GLU-    HG2     3.00    
4   GLU-  HA    4     GLU-    HG3     3.00    
4   GLU-  HA    5     LYS+    HN      3.60    
4   GLU-  HA    6     GLY     HN      5.90    
4   GLU-  HA    7     LYS+    HN      3.90    
4   GLU-  HA    7     LYS+    QB      5.00    
4   GLU-  HA    7     LYS+    QG      5.78    
4   GLU-  HA    8     LYS+    HN      4.90    
4   GLU-  HB2   5     LYS+    HN      3.60    
4   GLU-  HB3   5     LYS+    HN      3.60    
4   GLU-  QB    5     LYS+    HA      5.08    
4   GLU-  QB    5     LYS+    QB      7.18    
4   GLU-  QG    5     LYS+    HN      5.68    
5   LYS+  HN    5     LYS+    QB      3.90    
5   LYS+  HN    5     LYS+    HG2     3.20    
5   LYS+  HN    5     LYS+    HG3     3.20    
5   LYS+  HN    5     LYS+    QG      2.93    
5   LYS+  HN    5     LYS+    QD      5.20    
5   LYS+  HN    6     GLY     HN      3.20    
5   LYS+  HN    8     LYS+    QB      6.10    
5   LYS+  HN    8     LYS+    QG      6.10    
5   LYS+  HA    5     LYS+    HG2     3.10    
5   LYS+  HA    5     LYS+    HG3     3.10    
5   LYS+  HA    5     LYS+    QG      2.77    
5   LYS+  HA    5     LYS+    QD      5.40    
5   LYS+  HA    5     LYS+    QE      6.40    
5   LYS+  HA    7     LYS+    HN      5.20    
5   LYS+  HA    8     LYS+    HN      4.30    
5   LYS+  HA    8     LYS+    QB      5.00    
5   LYS+  HA    8     LYS+    QG      6.10    
5   LYS+  QB    5     LYS+    QE      6.40    
5   LYS+  QB    6     GLY     HN      4.90    
5   LYS+  HG2   5     LYS+    QE      4.00    
5   LYS+  HG2   9     ILE     HG12    6.65    
5   LYS+  HG2   9     ILE     HG13    6.65    
5   LYS+  HG3   5     LYS+    QE      4.00    
5   LYS+  HG3   9     ILE     HG12    6.65    
5   LYS+  HG3   9     ILE     HG13    6.65    
5   LYS+  QG    9     ILE     QG1     5.61    
6   GLY   HN    7     LYS+    HN      3.50    
6   GLY   HN    93    ASP-    HB2     6.00    
6   GLY   HN    93    ASP-    HB3     6.00    
6   GLY   HN    93    ASP-    QB      5.45    
6   GLY   HN    94    LEU     HA      5.00    
6   GLY   HN    96    ALA     QB      7.00    
6   GLY   QA    9     ILE     HN      6.18    
6   GLY   QA    93    ASP-    QB      6.95    
6   GLY   QA    94    LEU     HA      4.68    
6   GLY   QA    94    LEU     QQD     8.05    
6   GLY   QA    96    ALA     HN      5.58    
7   LYS+  HN    7     LYS+    HG2     3.70    
7   LYS+  HN    7     LYS+    HG3     3.70    
7   LYS+  HN    7     LYS+    QG      3.35    
7   LYS+  HN    7     LYS+    HD2     5.90    
7   LYS+  HN    7     LYS+    HD3     5.90    
7   LYS+  HN    7     LYS+    QD      5.40    
7   LYS+  HN    8     LYS+    HN      3.60    
7   LYS+  HN    9     ILE     HN      6.00    
7   LYS+  HN    97    TYR     HB2     4.70    
7   LYS+  HN    97    TYR     HB3     5.40    
7   LYS+  HN    97    TYR     HD1     5.40    
7   LYS+  HA    7     LYS+    HG2     3.40    
7   LYS+  HA    7     LYS+    HG3     3.40    
7   LYS+  HA    7     LYS+    QG      3.08    
7   LYS+  HA    7     LYS+    HD2     3.20    
7   LYS+  HA    7     LYS+    HD3     3.20    
7   LYS+  HA    9     ILE     HN      6.00    
7   LYS+  HA    10    PHE     HN      4.20    
7   LYS+  HA    10    PHE     QB      4.58    
7   LYS+  HA    11    VAL     HN      4.90    
7   LYS+  HA    97    TYR     HD1     4.90    
7   LYS+  HA    97    TYR     HD2     4.60    
7   LYS+  HA    97    TYR     HE1     5.50    
7   LYS+  HA    97    TYR     HE2     5.50    
7   LYS+  QB    8     LYS+    HN      5.20    
7   LYS+  QB    97    TYR     HD1     6.40    
7   LYS+  QB    97    TYR     HE1     7.00    
7   LYS+  HG2   97    TYR     HE1     5.20    
7   LYS+  HG3   97    TYR     HE1     5.20    
7   LYS+  QG    8     LYS+    HN      6.08    
7   LYS+  QG    97    TYR     HD1     5.28    
7   LYS+  QG    97    TYR     HE1     4.60    
7   LYS+  QD    8     LYS+    HN      6.88    
7   LYS+  QD    97    TYR     HE1     5.68    
8   LYS+  HN    8     LYS+    QB      3.90    
8   LYS+  HN    8     LYS+    QG      4.90    
8   LYS+  HN    8     LYS+    QD      4.50    
8   LYS+  HN    9     ILE     HN      3.40    
8   LYS+  HN    9     ILE     QG1     5.88    
8   LYS+  HN    10    PHE     HN      4.50    
8   LYS+  HN    10    PHE     HB2     6.00    
8   LYS+  HN    10    PHE     HB3     6.00    
8   LYS+  HN    10    PHE     QB      5.74    
8   LYS+  HN    11    VAL     QG1     6.40    
8   LYS+  HA    8     LYS+    QG      3.90    
8   LYS+  HA    8     LYS+    QD      4.80    
8   LYS+  HA    11    VAL     HN      3.90    
8   LYS+  HA    11    VAL     HB      3.20    
8   LYS+  HA    11    VAL     QG1     4.60    
8   LYS+  HA    11    VAL     QG2     5.10    
8   LYS+  HA    12    GLN     HN      4.70    
8   LYS+  QB    9     ILE     HN      4.30    
8   LYS+  QB    10    PHE     HN      6.20    
9   ILE   HN    9     ILE     HB      3.40    
9   ILE   HN    9     ILE     HG12    3.80    
9   ILE   HN    9     ILE     HG13    3.80    
9   ILE   HN    9     ILE     QG1     3.45    
9   ILE   HN    9     ILE     QD1     4.30    
9   ILE   HN    10    PHE     HN      3.40    
9   ILE   HN    11    VAL     HN      6.00    
9   ILE   HA    9     ILE     QG2     3.70    
9   ILE   HA    9     ILE     HG12    3.70    
9   ILE   HA    9     ILE     HG13    3.70    
9   ILE   HA    9     ILE     QG1     3.30    
9   ILE   HA    9     ILE     QD1     4.10    
9   ILE   HA    11    VAL     HN      4.90    
9   ILE   HA    12    GLN     HN      3.80    
9   ILE   HA    12    GLN     HB2     4.10    
9   ILE   HA    12    GLN     HB3     3.90    
9   ILE   HA    13    LYS+    HN      4.60    
9   ILE   HB    10    PHE     HN      3.40    
9   ILE   QG2   10    PHE     HN      5.90    
9   ILE   QG2   13    LYS+    HN      7.00    
9   ILE   QG2   13    LYS+    QB      8.00    
9   ILE   QG2   13    LYS+    QG      7.30    
9   ILE   QG2   13    LYS+    QD      7.30    
9   ILE   QG2   94    LEU     HA      7.00    
9   ILE   QG2   94    LEU     HG      4.60    
9   ILE   QG2   94    LEU     QQD     6.97    
9   ILE   QG1   10    PHE     HN      5.88    
9   ILE   QD1   94    LEU     QQD     8.47    
10  PHE   HN    10    PHE     HB2     3.40    
10  PHE   HN    10    PHE     HB3     3.40    
10  PHE   HN    10    PHE     HD1     6.00    
10  PHE   HN    11    VAL     HN      4.00    
10  PHE   HN    12    GLN     HN      5.60    
10  PHE   HN    94    LEU     HG      5.20    
10  PHE   HN    94    LEU     QD1     6.20    
10  PHE   HN    94    LEU     QD2     6.20    
10  PHE   HN    94    LEU     QQD     5.55    
10  PHE   HA    10    PHE     HD2     5.00    
10  PHE   HA    13    LYS+    HN      4.80    
10  PHE   HA    14    CYSS    HN      4.10    
10  PHE   HA    94    LEU     QQD     6.47    
10  PHE   HB2   11    VAL     HN      4.70    
10  PHE   HB2   94    LEU     QD1     7.74    
10  PHE   HB2   94    LEU     QD2     7.74    
10  PHE   HB3   11    VAL     HN      4.70    
10  PHE   HB3   94    LEU     QD1     7.74    
10  PHE   HB3   94    LEU     QD2     7.74    
10  PHE   QB    11    VAL     HN      4.18    
10  PHE   QB    94    LEU     HA      6.88    
10  PHE   QB    94    LEU     QQD     5.81    
10  PHE   QB    97    TYR     HD1     6.58    
10  PHE   QB    97    TYR     HD2     6.88    
10  PHE   HD1   20    VAL     QQG     8.56    
10  PHE   HD1   32    LEU     QD1     6.50    
10  PHE   HD1   98    LEU     QD1     5.60    
10  PHE   HE1   32    LEU     QD1     6.90    
10  PHE   HE1   98    LEU     QD1     7.00    
10  PHE   HZ    15    ALA     HA      4.90    
10  PHE   HZ    15    ALA     QB      7.00    
10  PHE   HZ    18    HES     HB2     4.50    
10  PHE   HZ    18    HES     HB3     4.50    
10  PHE   HZ    19    THR     HA      5.90    
10  PHE   HZ    20    VAL     QG1     7.00    
10  PHE   HZ    20    VAL     QG2     7.00    
10  PHE   HZ    20    VAL     QQG     5.88    
10  PHE   HZ    32    LEU     QD1     5.60    
10  PHE   HZ    98    LEU     QD1     7.00    
11  VAL   HN    11    VAL     HB      3.00    
11  VAL   HN    11    VAL     QG1     3.90    
11  VAL   HN    11    VAL     QG2     4.40    
11  VAL   HN    12    GLN     HN      3.50    
11  VAL   HN    15    ALA     QB      5.80    
11  VAL   HA    11    VAL     QG1     3.70    
11  VAL   HA    11    VAL     QG2     3.70    
11  VAL   HA    12    GLN     HA      4.70    
11  VAL   HA    14    CYSS    HN      5.60    
11  VAL   HA    15    ALA     HN      4.30    
11  VAL   HA    15    ALA     QB      3.50    
11  VAL   HB    12    GLN     HN      3.70    
11  VAL   HB    15    ALA     QB      6.40    
11  VAL   QG1   12    GLN     HN      6.10    
11  VAL   QG1   15    ALA     HA      6.50    
11  VAL   QG2   12    GLN     HN      5.80    
11  VAL   QG2   12    GLN     HA      6.30    
11  VAL   QG2   15    ALA     QB      6.20    
12  GLN   HN    12    GLN     HB2     3.40    
12  GLN   HN    12    GLN     HB3     3.50    
12  GLN   HN    12    GLN     HG2     4.20    
12  GLN   HN    12    GLN     HG3     4.20    
12  GLN   HN    12    GLN     QG      3.86    
12  GLN   HN    13    LYS+    HN      3.40    
12  GLN   HN    13    LYS+    QG      6.90    
12  GLN   HN    14    CYSS    HN      5.00    
12  GLN   HA    12    GLN     HG2     3.30    
12  GLN   HA    12    GLN     HG3     3.30    
12  GLN   HA    13    LYS+    QG      7.00    
12  GLN   HA    14    CYSS    HN      5.30    
12  GLN   HA    15    ALA     HN      5.90    
12  GLN   HB2   13    LYS+    HN      4.30    
12  GLN   HB2   13    LYS+    QG      6.60    
12  GLN   HB3   13    LYS+    HN      4.20    
12  GLN   HB3   13    LYS+    QG      7.00    
12  GLN   HG2   12    GLN     HE22    3.70    
12  GLN   HG3   12    GLN     HE22    3.70    
13  LYS+  HN    13    LYS+    QG      4.60    
13  LYS+  HN    13    LYS+    QD      4.60    
13  LYS+  HN    14    CYSS    HN      3.20    
13  LYS+  HN    15    ALA     HN      4.50    
13  LYS+  HA    13    LYS+    QG      3.90    
13  LYS+  HA    13    LYS+    QD      4.40    
13  LYS+  QB    14    CYSS    HN      6.00    
13  LYS+  QB    82    PHE     QE      9.00    
13  LYS+  QB    18    HES     QT2     8.00    
13  LYS+  QG    14    CYSS    HN      7.00    
13  LYS+  QG    82    PHE     HZ      7.00    
13  LYS+  QG    18    HES     QT2     8.00    
13  LYS+  QD    14    CYSS    HN      7.00    
13  LYS+  QD    82    PHE     QE      8.80    
13  LYS+  QD    82    PHE     HZ      7.00    
13  LYS+  QD    18    HES     QT2     7.50    
14  CYSS  HN    14    CYSS    HB2     4.00    
14  CYSS  HN    15    ALA     HN      3.20    
14  CYSS  HN    15    ALA     QB      4.90    
14  CYSS  HN    16    GLN     HN      5.60    
14  CYSS  HN    18    HES     HT2A    5.70    
14  CYSS  HN    18    HES     HAM     6.00    
14  CYSS  HA    18    HES     HD2     5.10    
14  CYSS  HA    18    HES     HT2A    3.90    
14  CYSS  HA    18    HES     HAM     3.80    
14  CYSS  HA    18    HES     QM3     5.10    
14  CYSS  HB2   15    ALA     HN      4.70    
14  CYSS  HB2   18    HES     HB2     6.00    
14  CYSS  HB2   18    HES     HB3     5.30    
14  CYSS  HB2   18    HES     HD2     4.00    
14  CYSS  HB2   82    PHE     HZ      6.00    
14  CYSS  HB2   18    HES     HAM     5.40    
14  CYSS  HB2   18    HES     QM3     5.70    
14  CYSS  HB3   15    ALA     HN      4.40    
14  CYSS  HB3   18    HES     HD2     5.10    
14  CYSS  HB3   18    HES     QT2     6.20    
14  CYSS  HB3   18    HES     HAM     6.00    
14  CYSS  SG    18    HES     CAB     2.00    
15  ALA   HN    15    ALA     QB      3.50    
15  ALA   HN    16    GLN     HN      3.50    
15  ALA   HA    17    CYSS    HN      4.80    
15  ALA   HA    18    HES     HN      3.60    
15  ALA   QB    16    GLN     HN      3.80    
15  ALA   QB    16    GLN     HA      4.80    
15  ALA   QB    17    CYSS    HN      5.00    
15  ALA   QB    18    HES     HN      5.70    
16  GLN   HN    16    GLN     HB2     3.60    
16  GLN   HN    16    GLN     HB3     3.60    
16  GLN   HN    16    GLN     HG2     4.50    
16  GLN   HN    16    GLN     HG3     4.50    
16  GLN   HN    16    GLN     QG      3.93    
16  GLN   HN    17    CYSS    HN      3.80    
16  GLN   HN    18    HES     HN      5.40    
16  GLN   HA    16    GLN     HG2     3.40    
16  GLN   HA    16    GLN     HG3     3.40    
16  GLN   HA    16    GLN     QG      3.18    
16  GLN   HA    18    HES     HN      6.00    
16  GLN   HB2   17    CYSS    HN      3.90    
16  GLN   HB3   17    CYSS    HN      3.90    
16  GLN   HE21  18    HES     QM3     7.00    
16  GLN   HE21  18    HES     QT4     7.00    
16  GLN   HE22  18    HES     QM3     7.00    
16  GLN   HE22  18    HES     QT4     7.00    
17  CYSS  HN    17    CYSS    HB2     3.90    
17  CYSS  HN    17    CYSS    HB3     3.80    
17  CYSS  HN    18    HES     HN      3.20    
17  CYSS  HN    18    HES     HD2     6.00    
17  CYSS  HB2   18    HES     HN      6.00    
17  CYSS  HB2   18    HES     HD2     4.70    
17  CYSS  HB2   28    THR     HB      5.70    
17  CYSS  HB2   29    GLY     HN      5.60    
17  CYSS  HB2   18    HES     QM3     6.70    
17  CYSS  HB2   18    HES     HT4A    4.50    
17  CYSS  HB2   18    HES     QT4     5.60    
17  CYSS  HB2   18    HES     HBM     5.30    
17  CYSS  HB3   18    HES     HN      4.80    
17  CYSS  HB3   18    HES     HD2     4.50    
17  CYSS  HB3   28    THR     HB      6.00    
17  CYSS  HB3   29    GLY     HN      5.00    
17  CYSS  HB3   18    HES     QM3     5.90    
17  CYSS  HB3   18    HES     HT4A    4.60    
17  CYSS  HB3   18    HES     HBM     5.60    
17  CYSS  SG    18    HES     CAC     2.00    
18  HES   HN    18    HES     HB3     4.00    
18  HES   HN    18    HES     HD2     4.40    
18  HES   HA    18    HES     HND     3.90    
18  HES   HA    18    HES     HD2     6.00    
18  HES   HA    19    THR     HN      3.30    
18  HES   HA    19    THR     QG2     5.70    
18  HES   HB2   18    HES     HD2     3.80    
18  HES   HB2   19    THR     HN      4.70    
18  HES   HB2   32    LEU     QD1     5.70    
18  HES   HB3   18    HES     HD2     3.80    
18  HES   HB3   32    LEU     QD1     6.50    
18  HES   HND   19    THR     HN      6.00    
18  HES   HND   30    PRO     HG2     5.90    
18  HES   HND   30    PRO     HG3     5.90    
18  HES   HND   32    LEU     HG      4.30    
18  HES   HND   32    LEU     QD1     5.90    
18  HES   HND   32    LEU     QD2     5.60    
18  HES   NE2   18    HES     ZN      2.40    
18  HES   HD2   32    LEU     QD1     6.40    
18  HES   HD2   18    HES     QM1     6.00    
18  HES   HD2   18    HES     HAM     5.80    
18  HES   HD2   18    HES     QM3     6.00    
19  THR   HN    19    THR     QG2     4.80    
19  THR   HN    31    ASN     HA      5.00    
19  THR   HA    19    THR     QG2     3.80    
19  THR   HA    20    VAL     HN      3.10    
19  THR   HA    20    VAL     QG1     6.70    
19  THR   HA    20    VAL     QG2     6.70    
19  THR   HA    20    VAL     QQG     5.88    
19  THR   HA    24    GLY     QA      6.38    
19  THR   HA    25    LYS+    HN      5.80    
19  THR   QG2   20    VAL     HN      7.00    
19  THR   QG2   24    GLY     QA      7.88    
19  THR   QG2   25    LYS+    HN      5.60    
19  THR   QG2   25    LYS+    QB      5.08    
20  VAL   HN    20    VAL     QG1     4.70    
20  VAL   HN    20    VAL     QG2     4.70    
20  VAL   HN    20    VAL     QQG     3.98    
20  VAL   HA    20    VAL     HB      3.00    
20  VAL   HA    32    LEU     HN      4.10    
20  VAL   HA    32    LEU     QD1     7.00    
20  VAL   HA    33    HIS     HN      4.70    
20  VAL   HB    31    ASN     HD21    4.20    
20  VAL   HB    98    LEU     QD1     6.60    
20  VAL   HB    101   ALA     QB      6.10    
20  VAL   HB    102   THR     QG2     5.30    
20  VAL   QG1   97    TYR     HE2     7.00    
20  VAL   QG1   101   ALA     QB      6.50    
20  VAL   QG1   102   THR     QG2     6.60    
20  VAL   QG2   97    TYR     HE2     7.00    
20  VAL   QG2   101   ALA     QB      6.50    
20  VAL   QG2   102   THR     QG2     6.60    
20  VAL   QQG   21    GLU-    HN      7.36    
20  VAL   QQG   21    GLU-    HA      7.36    
20  VAL   QQG   22    LYS+    HN      7.46    
20  VAL   QQG   32    LEU     HN      8.56    
20  VAL   QQG   32    LEU     HB2     8.56    
20  VAL   QQG   32    LEU     HB3     8.46    
20  VAL   QQG   32    LEU     QD1     7.46    
20  VAL   QQG   32    LEU     QD2     9.56    
20  VAL   QQG   97    TYR     HE2     6.24    
20  VAL   QQG   98    LEU     QD1     7.46    
20  VAL   QQG   101   ALA     QB      6.06    
20  VAL   QQG   102   THR     QG2     6.21    
21  GLU-  HN    21    GLU-    QB      3.90    
21  GLU-  HN    22    LYS+    HN      3.40    
21  GLU-  HN    24    GLY     HN      5.90    
21  GLU-  HA    22    LYS+    HA      4.70    
21  GLU-  HA    22    LYS+    QB      5.40    
21  GLU-  HA    22    LYS+    QG      5.48    
21  GLU-  QB    22    LYS+    QG      7.88    
22  LYS+  HN    22    LYS+    HG2     4.70    
22  LYS+  HN    22    LYS+    HG3     4.70    
22  LYS+  HN    22    LYS+    QG      4.09    
22  LYS+  HN    22    LYS+    QD      5.90    
22  LYS+  HN    23    GLY     HN      5.90    
22  LYS+  HN    24    GLY     HN      6.00    
22  LYS+  HA    22    LYS+    HG2     3.30    
22  LYS+  HA    22    LYS+    HG3     3.30    
22  LYS+  HA    22    LYS+    QG      3.08    
22  LYS+  HA    22    LYS+    QD      4.80    
22  LYS+  HA    23    GLY     HN      3.30    
22  LYS+  HG2   23    GLY     HN      6.00    
22  LYS+  HG3   23    GLY     HN      6.00    
22  LYS+  QG    23    GLY     HN      5.64    
22  LYS+  QD    23    GLY     HN      7.00    
23  GLY   HN    24    GLY     HN      3.70    
24  GLY   HN    25    LYS+    HN      5.40    
24  GLY   HA2   25    LYS+    HN      3.30    
24  GLY   HA3   25    LYS+    HN      3.30    
25  LYS+  HN    25    LYS+    HB2     3.60    
25  LYS+  HN    25    LYS+    HB3     3.60    
25  LYS+  HN    25    LYS+    QB      3.39    
25  LYS+  HN    25    LYS+    QG      4.40    
25  LYS+  HN    25    LYS+    QD      5.00    
25  LYS+  HN    26    HIS     HN      6.00    
25  LYS+  HA    25    LYS+    QG      4.00    
25  LYS+  HA    25    LYS+    QD      4.40    
25  LYS+  HA    26    HIS     HN      3.10    
25  LYS+  HB2   26    HIS     HN      4.10    
25  LYS+  HB3   26    HIS     HN      4.10    
25  LYS+  QG    26    HIS     HN      7.00    
26  HIS   HN    26    HIS     HB2     3.90    
26  HIS   HN    26    HIS     HB3     3.90    
26  HIS   HN    26    HIS     HD1     4.10    
26  HIS   HN    26    HIS     HD2     4.50    
26  HIS   HN    27    LYS+    QB      6.00    
26  HIS   HA    26    HIS     HD1     5.60    
26  HIS   HA    26    HIS     HD2     4.90    
26  HIS   HA    27    LYS+    HN      3.50    
26  HIS   HA    31    ASN     HN      4.60    
26  HIS   HB2   26    HIS     HD2     3.90    
26  HIS   HB2   27    LYS+    HN      5.40    
26  HIS   HB2   46    PHE     HD2     6.00    
26  HIS   HB3   26    HIS     HD2     3.90    
26  HIS   HB3   27    LYS+    HN      5.40    
26  HIS   HB3   46    PHE     HD2     6.00    
26  HIS   QB    26    HIS     HD2     3.60    
26  HIS   QB    27    LYS+    HN      4.59    
26  HIS   QB    46    PHE     HD2     5.69    
26  HIS   HD1   30    PRO     HA      5.70    
26  HIS   HD1   30    PRO     HB2     4.90    
26  HIS   HD1   31    ASN     HN      4.90    
26  HIS   HD1   46    PHE     QB      6.88    
26  HIS   HD2   30    PRO     HA      6.00    
26  HIS   HD2   31    ASN     HN      4.60    
26  HIS   HD2   46    PHE     HB2     6.00    
26  HIS   HD2   46    PHE     HB3     6.00    
26  HIS   HD2   46    PHE     HD2     6.00    
27  LYS+  HN    27    LYS+    QG      5.20    
27  LYS+  HN    27    LYS+    QD      5.30    
27  LYS+  HA    27    LYS+    QD      4.80    
27  LYS+  QB    28    THR     HN      5.30    
28  THR   HN    28    THR     HB      3.70    
28  THR   HN    29    GLY     HN      4.00    
28  THR   HA    28    THR     QG2     3.50    
28  THR   HB    29    GLY     HN      4.10    
28  THR   HB    18    HES     HT4A    5.50    
28  THR   HB    18    HES     HBM     6.00    
28  THR   QG2   29    GLY     HN      6.40    
28  THR   QG2   18    HES     HT4A    4.50    
28  THR   QG2   18    HES     QT4     4.90    
28  THR   QG2   18    HES     HBM     4.60    
28  THR   QG2   18    HES     QM5     4.50    
29  GLY   HN    30    PRO     QG      6.88    
29  GLY   HA2   46    PHE     HZ      5.30    
29  GLY   HA3   46    PHE     HZ      5.30    
29  GLY   QA    30    PRO     QG      5.41    
29  GLY   QA    46    PHE     HZ      5.03    
30  PRO   HA    31    ASN     HN      3.50    
30  PRO   HA    31    ASN     HB2     6.00    
30  PRO   HA    31    ASN     HB3     6.00    
30  PRO   HA    31    ASN     QB      5.74    
30  PRO   HA    31    ASN     HD21    6.00    
30  PRO   HA    46    PHE     HD2     6.00    
30  PRO   HB2   31    ASN     HD21    5.80    
30  PRO   HG2   18    HES     HGM     6.00    
30  PRO   HG3   18    HES     HGM     6.00    
30  PRO   QG    46    PHE     HZ      6.88    
30  PRO   QG    18    HES     HGM     5.74    
31  ASN   HN    31    ASN     HB2     4.20    
31  ASN   HN    31    ASN     HB3     4.20    
31  ASN   HN    32    LEU     HN      6.00    
31  ASN   HA    31    ASN     HD22    5.00    
31  ASN   HA    32    LEU     HN      3.60    
31  ASN   HD22  32    LEU     HN      6.00    
32  LEU   HN    32    LEU     HG      3.80    
32  LEU   HN    32    LEU     QD1     5.60    
32  LEU   HN    32    LEU     QD2     5.90    
32  LEU   HN    33    HIS     HN      4.30    
32  LEU   HA    32    LEU     HG      4.10    
32  LEU   HA    32    LEU     QD1     5.60    
32  LEU   HA    32    LEU     QD2     3.70    
32  LEU   HA    35    LEU     QD2     6.70    
32  LEU   HB2   33    HIS     HN      5.30    
32  LEU   HB2   35    LEU     HN      5.10    
32  LEU   HB3   33    HIS     HN      5.40    
32  LEU   HB3   18    HES     QM8     5.50    
32  LEU   HG    35    LEU     QD2     7.00    
32  LEU   QD1   35    LEU     QD2     8.00    
32  LEU   QD1   64    LEU     QD2     7.20    
32  LEU   QD1   98    LEU     QD1     6.00    
32  LEU   QD1   98    LEU     QD2     8.00    
32  LEU   QD1   102   THR     QG2     7.80    
32  LEU   QD1   18    HES     QM8     6.70    
32  LEU   QD1   18    HES     HDM     5.70    
32  LEU   QD1   18    HES     QM1     5.60    
32  LEU   QD2   35    LEU     QD2     6.10    
32  LEU   QD2   64    LEU     QD2     6.60    
32  LEU   QD2   98    LEU     QD2     7.60    
32  LEU   QD2   18    HES     QBP7    7.91    
32  LEU   QD2   18    HES     QM8     5.50    
32  LEU   QD2   18    HES     HDM     6.40    
32  LEU   QD2   18    HES     QM1     7.00    
33  HIS   HN    34    GLY     HN      4.90    
33  HIS   HA    35    LEU     HN      5.10    
33  HIS   QB    34    GLY     HN      7.00    
34  GLY   HN    35    LEU     HN      4.00    
34  GLY   HN    102   THR     HA      5.30    
34  GLY   HN    102   THR     HB      6.00    
34  GLY   HN    102   THR     QG2     7.00    
34  GLY   HA3   102   THR     QG2     6.80    
35  LEU   HN    35    LEU     HB2     3.70    
35  LEU   HN    35    LEU     HB3     3.70    
35  LEU   HN    35    LEU     QB      3.35    
35  LEU   HN    35    LEU     QD1     6.50    
35  LEU   HN    35    LEU     QD2     5.60    
35  LEU   HN    36    PHE     HN      4.90    
35  LEU   HN    102   THR     HB      4.40    
35  LEU   HN    102   THR     QG2     7.00    
35  LEU   HA    35    LEU     QD1     5.50    
35  LEU   HA    35    LEU     QD2     4.00    
35  LEU   QB    36    PHE     HN      4.48    
35  LEU   QB    36    PHE     QD      7.78    
35  LEU   QB    59    TRP     HD1     6.28    
35  LEU   QB    64    LEU     QD2     6.38    
35  LEU   QB    98    LEU     QD1     6.78    
35  LEU   QB    98    LEU     QD2     7.08    
35  LEU   QB    102   THR     QG2     6.18    
35  LEU   QD2   36    PHE     HN      7.00    
35  LEU   QD2   59    TRP     HB2     7.00    
35  LEU   QD2   59    TRP     HB3     7.00    
35  LEU   QD2   59    TRP     HD1     7.00    
35  LEU   QD2   64    LEU     HG      4.70    
35  LEU   QD2   102   THR     QG2     6.40    
35  LEU   QD2   18    HES     QM8     4.90    
36  PHE   HN    36    PHE     HB2     3.30    
36  PHE   HN    36    PHE     HB3     3.70    
36  PHE   HN    36    PHE     QE      5.50    
36  PHE   HN    37    GLY     HN      5.70    
36  PHE   HA    37    GLY     HN      3.00    
36  PHE   HA    38    ARG+    HN      4.00    
36  PHE   HB2   37    GLY     HN      5.60    
36  PHE   HB3   37    GLY     HN      5.30    
36  PHE   QD    37    GLY     HN      8.00    
36  PHE   QD    60    LYS+    HA      6.30    
36  PHE   QD    60    LYS+    QB      7.98    
36  PHE   QD    61    GLU-    HN      8.00    
36  PHE   QD    61    GLU-    QB      9.00    
36  PHE   QD    64    LEU     HG      7.40    
36  PHE   QD    64    LEU     QD1     9.00    
36  PHE   QD    64    LEU     QD2     8.10    
36  PHE   QD    95    ILE     QG2     9.00    
36  PHE   QD    99    LYS+    HA      7.30    
36  PHE   QD    99    LYS+    QG      8.88    
36  PHE   QD    102   THR     QG2     9.00    
36  PHE   QE    60    LYS+    HA      7.50    
36  PHE   QE    60    LYS+    QB      8.88    
36  PHE   QE    61    GLU-    HN      7.50    
36  PHE   QE    61    GLU-    HA      6.80    
36  PHE   QE    61    GLU-    QB      8.90    
36  PHE   QE    61    GLU-    QG      7.78    
36  PHE   QE    64    LEU     HG      7.60    
36  PHE   QE    64    LEU     QD1     7.60    
36  PHE   QE    64    LEU     QD2     7.80    
36  PHE   QE    95    ILE     HA      8.00    
36  PHE   QE    95    ILE     QG2     7.30    
36  PHE   QE    95    ILE     QD1     9.00    
36  PHE   QE    98    LEU     HA      7.80    
36  PHE   QE    98    LEU     HB2     7.70    
36  PHE   QE    98    LEU     HB3     7.70    
36  PHE   QE    98    LEU     QB      7.21    
36  PHE   QE    98    LEU     HG      6.40    
36  PHE   QE    98    LEU     QD1     9.00    
36  PHE   QE    98    LEU     QD2     8.80    
36  PHE   QE    99    LYS+    HN      7.60    
36  PHE   QE    99    LYS+    HA      6.70    
36  PHE   QE    99    LYS+    HB2     8.00    
36  PHE   QE    99    LYS+    HB3     8.00    
36  PHE   QE    99    LYS+    QB      7.47    
36  PHE   QE    99    LYS+    QG      8.88    
36  PHE   HZ    61    GLU-    HA      6.00    
36  PHE   HZ    64    LEU     HG      5.80    
36  PHE   HZ    64    LEU     QD1     5.00    
36  PHE   HZ    64    LEU     QD2     6.70    
36  PHE   HZ    95    ILE     HA      4.90    
36  PHE   HZ    95    ILE     QG2     4.40    
36  PHE   HZ    95    ILE     QD1     7.00    
36  PHE   HZ    98    LEU     QB      5.28    
36  PHE   HZ    98    LEU     QD1     5.50    
36  PHE   HZ    98    LEU     QD2     6.10    
36  PHE   HZ    99    LYS+    HN      4.90    
36  PHE   HZ    99    LYS+    HA      5.40    
36  PHE   HZ    99    LYS+    QB      5.98    
37  GLY   HN    38    ARG+    HN      3.60    
37  GLY   HN    58    THR     QG2     6.00    
37  GLY   HN    59    TRP     HB2     6.00    
37  GLY   HN    60    LYS+    HA      6.00    
37  GLY   HA2   58    THR     QG2     5.40    
37  GLY   HA3   58    THR     QG2     4.90    
38  ARG+  HN    38    ARG+    HB2     4.00    
38  ARG+  HN    38    ARG+    HB3     4.00    
38  ARG+  HN    38    ARG+    QB      3.75    
38  ARG+  HN    38    ARG+    QG      4.98    
38  ARG+  HN    38    ARG+    QD      6.40    
38  ARG+  HN    39    LYS+    HN      5.80    
38  ARG+  HN    58    THR     QG2     6.40    
38  ARG+  HN    59    TRP     HB3     5.80    
38  ARG+  HA    38    ARG+    QG      3.82    
38  ARG+  HA    38    ARG+    QD      5.90    
38  ARG+  HA    39    LYS+    HN      3.40    
38  ARG+  HB2   39    LYS+    HN      4.60    
38  ARG+  HB2   59    TRP     HB3     5.40    
38  ARG+  HB3   39    LYS+    HN      4.60    
38  ARG+  HB3   59    TRP     HB3     5.40    
38  ARG+  QB    38    ARG+    HE      4.28    
38  ARG+  QB    39    LYS+    HN      4.32    
38  ARG+  QG    38    ARG+    HE      3.89    
39  LYS+  HN    39    LYS+    QB      3.77    
39  LYS+  HN    40    THR     HN      5.70    
39  LYS+  HA    40    THR     HN      3.60    
39  LYS+  HA    40    THR     QG2     7.00    
39  LYS+  HA    58    THR     HA      5.50    
39  LYS+  HB2   40    THR     HN      5.30    
39  LYS+  HB3   40    THR     HN      5.30    
39  LYS+  QB    40    THR     HN      4.53    
39  LYS+  QB    42    GLN     HG2     5.78    
39  LYS+  QB    58    THR     HA      5.48    
40  THR   HN    40    THR     QG2     4.30    
40  THR   HN    57    ILE     HN      5.10    
40  THR   HN    57    ILE     HB      6.00    
40  THR   HN    57    ILE     QD1     7.00    
40  THR   HN    58    THR     HA      5.80    
40  THR   HN    59    TRP     HE1     6.00    
40  THR   HA    41    GLY     HN      3.60    
40  THR   HA    41    GLY     QA      6.38    
40  THR   HA    56    GLY     HA2     5.00    
40  THR   HA    59    TRP     HD1     5.10    
40  THR   HA    59    TRP     HE1     4.20    
40  THR   HA    59    TRP     HZ2     6.00    
40  THR   HB    41    GLY     HN      4.30    
40  THR   HB    56    GLY     HA2     6.00    
40  THR   QG2   41    GLY     HN      7.00    
40  THR   QG2   55    LYS+    HN      7.00    
40  THR   QG2   55    LYS+    HB2     5.90    
40  THR   QG2   56    GLY     HN      7.00    
40  THR   QG2   57    ILE     HN      5.60    
40  THR   QG2   57    ILE     HB      6.10    
40  THR   QG2   57    ILE     QG1     6.18    
40  THR   QG2   57    ILE     QD1     5.60    
40  THR   QG2   59    TRP     HD1     6.70    
40  THR   QG2   59    TRP     HE1     5.40    
40  THR   QG2   59    TRP     HZ2     5.10    
40  THR   QG2   59    TRP     HH2     7.00    
41  GLY   HN    53    LYS+    HA      5.20    
41  GLY   HN    59    TRP     HE1     5.90    
41  GLY   HA2   53    LYS+    HA      3.80    
41  GLY   HA3   53    LYS+    HA      3.80    
41  GLY   QA    42    GLN     QB      5.98    
41  GLY   QA    53    LYS+    HA      3.60    
41  GLY   QA    53    LYS+    QB      6.18    
42  GLN   HN    42    GLN     HG2     3.20    
42  GLN   HN    42    GLN     HG3     3.50    
42  GLN   HA    42    GLN     HG2     3.40    
42  GLN   HA    42    GLN     HG3     3.30    
42  GLN   HA    43    ALA     HA      6.00    
42  GLN   QB    48    TYR     HD1     6.30    
42  GLN   HG2   43    ALA     HN      5.40    
42  GLN   HG3   43    ALA     HN      5.10    
43  ALA   HN    43    ALA     QB      3.50    
43  ALA   HN    44    PRO     HD2     5.20    
43  ALA   HN    47    THR     HG1     4.70    
43  ALA   HN    48    TYR     HE1     5.10    
43  ALA   HN    48    TYR     HE2     5.80    
43  ALA   QB    46    PHE     HN      3.60    
43  ALA   QB    46    PHE     HB2     6.60    
43  ALA   QB    46    PHE     HB3     6.60    
43  ALA   QB    46    PHE     QB      6.20    
43  ALA   QB    47    THR     HA      3.60    
43  ALA   QB    47    THR     QG2     7.90    
43  ALA   QB    47    THR     HG1     5.90    
43  ALA   QB    48    TYR     HD2     7.00    
44  PRO   HA    45    GLY     QA      5.38    
45  GLY   HN    46    PHE     HN      6.00    
45  GLY   QA    46    PHE     QB      7.75    
46  PHE   HN    46    PHE     HB2     3.60    
46  PHE   HN    46    PHE     HB3     3.60    
46  PHE   HN    46    PHE     QB      3.39    
46  PHE   HN    47    THR     HN      4.40    
46  PHE   HA    46    PHE     HD2     4.30    
46  PHE   HA    47    THR     HB      6.00    
46  PHE   HD2   48    TYR     HA      6.00    
46  PHE   HE2   48    TYR     HA      5.50    
46  PHE   HE2   48    TYR     QB      6.88    
46  PHE   HE2   18    HES     QM5     7.00    
46  PHE   HZ    79    LYS+    QE      6.80    
46  PHE   HZ    18    HES     QM5     5.30    
47  THR   HN    47    THR     HB      3.80    
47  THR   HN    47    THR     QG2     4.80    
47  THR   HN    48    TYR     HN      4.40    
47  THR   HA    47    THR     QG2     3.60    
47  THR   HA    48    TYR     HN      3.10    
47  THR   QG2   48    TYR     HN      6.20    
47  THR   HG1   48    TYR     HE1     5.00    
47  THR   HG1   48    TYR     HE2     5.00    
48  TYR   HN    48    TYR     HB2     3.80    
48  TYR   HN    48    TYR     HB3     3.80    
48  TYR   HN    48    TYR     QB      3.60    
48  TYR   HN    48    TYR     HD2     5.00    
48  TYR   HN    49    THR     HN      6.00    
48  TYR   HA    48    TYR     HD1     4.10    
48  TYR   HA    48    TYR     HD2     4.40    
48  TYR   HA    49    THR     HN      3.60    
48  TYR   HA    49    THR     HG1     6.00    
48  TYR   HB2   49    THR     HN      4.90    
48  TYR   HB3   49    THR     HN      4.90    
48  TYR   QB    49    THR     HN      4.43    
48  TYR   QB    50    ASP-    HN      5.68    
48  TYR   HD1   49    THR     HN      6.00    
49  THR   HN    49    THR     HB      4.00    
49  THR   HN    49    THR     QG2     4.30    
49  THR   HN    49    THR     HG1     3.60    
49  THR   HN    50    ASP-    HN      4.90    
49  THR   HN    52    ASN     HN      5.70    
49  THR   HN    52    ASN     QB      6.18    
49  THR   HA    49    THR     QG2     3.80    
49  THR   HA    49    THR     HG1     3.50    
49  THR   HA    50    ASP-    HN      3.40    
49  THR   HA    50    ASP-    QB      7.00    
49  THR   HA    51    ALA     HN      4.10    
49  THR   HB    50    ASP-    HN      3.50    
49  THR   HB    51    ALA     HN      3.40    
49  THR   HB    51    ALA     QB      5.80    
49  THR   HB    52    ASN     HN      4.90    
49  THR   QG2   50    ASP-    HN      5.50    
49  THR   QG2   51    ALA     HN      6.20    
49  THR   QG2   51    ALA     QB      6.40    
49  THR   QG2   52    ASN     HN      6.10    
49  THR   QG2   79    LYS+    HN      5.20    
49  THR   QG2   79    LYS+    HA      7.00    
49  THR   QG2   79    LYS+    HB2     6.50    
49  THR   QG2   79    LYS+    HB3     6.50    
49  THR   QG2   79    LYS+    QB      6.10    
49  THR   QG2   79    LYS+    QE      7.80    
49  THR   HG1   51    ALA     HN      6.00    
49  THR   HG1   51    ALA     QB      6.70    
49  THR   HG1   52    ASN     HN      5.20    
49  THR   HG1   52    ASN     HB2     6.00    
49  THR   HG1   52    ASN     HB3     6.00    
49  THR   HG1   78    THR     HA      5.30    
50  ASP-  HN    51    ALA     HN      3.70    
50  ASP-  HN    51    ALA     HA      5.20    
50  ASP-  HN    53    LYS+    HN      4.10    
50  ASP-  HA    53    LYS+    HN      4.40    
50  ASP-  HA    53    LYS+    QB      4.60    
50  ASP-  HA    54    ASN     HN      4.40    
50  ASP-  QB    51    ALA     HA      6.20    
50  ASP-  QB    54    ASN     HD21    7.00    
50  ASP-  QB    54    ASN     HD22    7.00    
51  ALA   HN    51    ALA     QB      3.50    
51  ALA   HN    52    ASN     HN      3.80    
51  ALA   HA    53    LYS+    HN      6.00    
51  ALA   HA    54    ASN     HN      4.30    
51  ALA   HA    54    ASN     HB2     4.60    
51  ALA   HA    54    ASN     HB3     4.60    
51  ALA   HA    54    ASN     HD22    6.00    
51  ALA   HA    55    LYS+    HN      4.90    
51  ALA   HA    75    ILE     QG2     7.00    
51  ALA   QB    52    ASN     HN      3.70    
51  ALA   QB    54    ASN     HN      7.00    
51  ALA   QB    54    ASN     QB      6.28    
51  ALA   QB    75    ILE     QG2     5.30    
51  ALA   QB    75    ILE     QD1     7.20    
51  ALA   QB    78    THR     HN      6.30    
51  ALA   QB    78    THR     HA      5.90    
51  ALA   QB    78    THR     HB      6.60    
52  ASN   HN    52    ASN     HB2     3.80    
52  ASN   HN    52    ASN     HB3     3.80    
52  ASN   HN    52    ASN     QB      3.50    
52  ASN   HN    53    LYS+    HN      3.90    
52  ASN   HN    53    LYS+    QB      6.00    
52  ASN   HN    54    ASN     HN      4.60    
52  ASN   HN    75    ILE     QG2     6.80    
52  ASN   HA    54    ASN     HN      4.00    
52  ASN   HA    55    LYS+    HN      5.00    
52  ASN   HA    55    LYS+    HB2     6.00    
52  ASN   HA    56    GLY     HN      6.00    
52  ASN   HA    75    ILE     QG2     4.90    
52  ASN   HB2   53    LYS+    HN      4.30    
52  ASN   HB2   54    ASN     HN      5.20    
52  ASN   HB2   75    ILE     QG2     7.00    
52  ASN   HB3   53    LYS+    HN      4.30    
52  ASN   HB3   54    ASN     HN      5.20    
52  ASN   HB3   75    ILE     QG2     7.00    
52  ASN   QB    53    LYS+    HN      4.01    
52  ASN   QB    75    ILE     HB      5.98    
52  ASN   QB    75    ILE     QG2     6.84    
53  LYS+  HN    53    LYS+    QG      4.50    
53  LYS+  HN    54    ASN     HN      3.70    
53  LYS+  HN    55    LYS+    HN      5.20    
53  LYS+  HA    53    LYS+    QG      3.80    
53  LYS+  HA    53    LYS+    HE2     4.00    
53  LYS+  HA    53    LYS+    HE3     4.00    
53  LYS+  HA    53    LYS+    QE      3.80    
53  LYS+  HA    55    LYS+    HN      5.50    
53  LYS+  QB    53    LYS+    HE2     5.70    
53  LYS+  QB    53    LYS+    HE3     5.70    
53  LYS+  QB    54    ASN     HN      4.80    
53  LYS+  QG    54    ASN     HN      7.00    
54  ASN   HN    54    ASN     HB2     3.70    
54  ASN   HN    54    ASN     HB3     3.70    
54  ASN   HN    55    LYS+    HN      3.50    
54  ASN   HB2   54    ASN     HD22    3.80    
54  ASN   HB2   55    LYS+    HN      3.60    
54  ASN   HB3   54    ASN     HD22    3.80    
54  ASN   HB3   55    LYS+    HN      3.60    
55  LYS+  HN    55    LYS+    HB2     3.70    
55  LYS+  HN    55    LYS+    HB3     3.50    
55  LYS+  HN    56    GLY     HN      4.00    
55  LYS+  HN    75    ILE     QG2     7.00    
55  LYS+  HN    75    ILE     QD1     7.00    
55  LYS+  HA    75    ILE     QD1     6.40    
55  LYS+  HB2   56    GLY     HN      4.30    
55  LYS+  HB2   57    ILE     HN      4.40    
55  LYS+  HB2   75    ILE     QD1     5.50    
55  LYS+  HB3   56    GLY     HN      4.70    
55  LYS+  HB3   75    ILE     QD1     5.10    
56  GLY   HN    57    ILE     HN      4.10    
56  GLY   HA2   57    ILE     HA      4.60    
56  GLY   HA3   57    ILE     HA      4.60    
57  ILE   HN    57    ILE     QG2     4.40    
57  ILE   HN    57    ILE     HG12    3.00    
57  ILE   HN    57    ILE     HG13    3.00    
57  ILE   HN    57    ILE     QD1     5.20    
57  ILE   HN    58    THR     HN      5.20    
57  ILE   HA    57    ILE     HB      2.60    
57  ILE   HA    57    ILE     HG12    3.80    
57  ILE   HA    57    ILE     HG13    3.80    
57  ILE   HA    57    ILE     QG1     3.60    
57  ILE   HA    58    THR     HN      3.10    
57  ILE   HA    58    THR     HB      5.00    
57  ILE   HB    57    ILE     QG1     2.69    
57  ILE   HB    58    THR     HN      3.60    
57  ILE   HB    74    TYR     QE      6.90    
57  ILE   QG2   74    TYR     QE      7.50    
57  ILE   HG12  58    THR     HN      5.10    
57  ILE   HG12  74    TYR     QD      8.00    
57  ILE   HG12  74    TYR     QE      8.00    
57  ILE   HG13  58    THR     HN      5.10    
57  ILE   HG13  74    TYR     QD      8.00    
57  ILE   HG13  74    TYR     QE      8.00    
57  ILE   QG1   58    THR     HN      4.59    
57  ILE   QG1   59    TRP     HN      6.88    
57  ILE   QG1   59    TRP     HD1     5.38    
57  ILE   QG1   59    TRP     HE1     6.58    
57  ILE   QG1   59    TRP     HZ3     5.98    
57  ILE   QG1   63    THR     HA      6.88    
57  ILE   QG1   63    THR     QG2     5.78    
57  ILE   QG1   74    TYR     QE      7.61    
57  ILE   QD1   58    THR     HN      5.90    
57  ILE   QD1   59    TRP     HN      7.00    
57  ILE   QD1   59    TRP     HD1     7.00    
57  ILE   QD1   59    TRP     HE3     6.40    
57  ILE   QD1   59    TRP     HZ3     6.90    
57  ILE   QD1   59    TRP     HZ2     7.00    
57  ILE   QD1   63    THR     HA      7.00    
57  ILE   QD1   63    THR     HB      4.90    
57  ILE   QD1   63    THR     QG2     6.10    
57  ILE   QD1   63    THR     HG1     6.20    
57  ILE   QD1   74    TYR     QD      9.00    
57  ILE   QD1   74    TYR     QE      7.30    
58  THR   HN    58    THR     HB      3.30    
58  THR   HN    58    THR     QG2     4.80    
58  THR   HN    59    TRP     HN      5.10    
58  THR   HN    59    TRP     HE3     6.00    
58  THR   HN    63    THR     QG2     5.80    
58  THR   HN    63    THR     HG1     5.10    
58  THR   HA    58    THR     QG2     3.70    
58  THR   QG2   59    TRP     HN      5.40    
59  TRP   HN    59    TRP     HD1     4.10    
59  TRP   HN    59    TRP     HE3     6.00    
59  TRP   HB2   59    TRP     HD1     3.60    
59  TRP   HB3   59    TRP     HD1     3.60    
59  TRP   HD1   18    HES     QM8     5.40    
59  TRP   HE3   63    THR     HB      6.00    
59  TRP   HE3   63    THR     QG2     7.00    
59  TRP   HE3   63    THR     HG1     6.00    
59  TRP   HE3   64    LEU     HN      5.20    
59  TRP   HE3   64    LEU     HA      5.20    
59  TRP   HE3   64    LEU     HB2     4.60    
59  TRP   HE3   64    LEU     QD1     5.30    
59  TRP   HE3   64    LEU     QD2     5.20    
59  TRP   HE1   18    HES     QAP7    6.49    
59  TRP   HE1   18    HES     QM8     7.00    
59  TRP   HZ3   63    THR     HA      4.60    
59  TRP   HZ3   63    THR     HB      6.00    
59  TRP   HZ3   64    LEU     HA      4.30    
59  TRP   HZ3   64    LEU     HB2     5.70    
59  TRP   HZ3   64    LEU     QD1     7.00    
59  TRP   HZ3   64    LEU     QD2     6.00    
59  TRP   HZ3   66    GLU-    HB3     5.30    
59  TRP   HZ3   67    TYR     HN      5.50    
59  TRP   HZ3   67    TYR     HA      5.40    
59  TRP   HZ3   67    TYR     HB2     4.30    
59  TRP   HZ3   67    TYR     HB3     4.40    
59  TRP   HZ2   75    ILE     QD1     6.50    
59  TRP   HZ2   18    HES     QAP7    5.59    
59  TRP   HZ2   18    HES     QM8     6.00    
59  TRP   HZ2   18    HES     HGM     6.00    
59  TRP   HH2   67    TYR     HB2     5.00    
59  TRP   HH2   74    TYR     QB      6.78    
59  TRP   HH2   74    TYR     QD      7.40    
59  TRP   HH2   74    TYR     QE      7.70    
59  TRP   HH2   75    ILE     QD1     5.50    
60  LYS+  HA    62    GLU-    HN      5.80    
60  LYS+  HA    63    THR     HN      5.60    
60  LYS+  HA    63    THR     QG2     7.00    
60  LYS+  HB2   61    GLU-    HN      4.10    
60  LYS+  HB3   61    GLU-    HN      4.10    
60  LYS+  QB    61    GLU-    HN      3.76    
60  LYS+  QB    61    GLU-    HA      5.98    
60  LYS+  HG2   62    GLU-    HN      6.00    
60  LYS+  HG2   62    GLU-    QG      7.00    
60  LYS+  HG2   63    THR     HN      6.00    
60  LYS+  HG3   62    GLU-    HN      6.00    
60  LYS+  HG3   62    GLU-    QG      7.00    
60  LYS+  HG3   63    THR     HN      6.00    
60  LYS+  QG    62    GLU-    HN      5.32    
60  LYS+  QG    62    GLU-    QG      6.70    
60  LYS+  QG    63    THR     HN      5.23    
61  GLU-  HN    61    GLU-    HG2     3.60    
61  GLU-  HN    61    GLU-    HG3     3.60    
61  GLU-  HN    62    GLU-    HN      3.80    
61  GLU-  HA    61    GLU-    HG2     3.70    
61  GLU-  HA    61    GLU-    HG3     3.70    
61  GLU-  HA    64    LEU     HN      4.40    
61  GLU-  HA    64    LEU     QD1     5.80    
61  GLU-  HA    95    ILE     QG2     4.80    
61  GLU-  QB    95    ILE     QG2     6.60    
61  GLU-  QB    99    LYS+    HG2     6.90    
61  GLU-  QB    99    LYS+    HG3     6.90    
61  GLU-  QB    99    LYS+    QG      6.65    
61  GLU-  HG2   62    GLU-    HN      4.80    
61  GLU-  HG3   62    GLU-    HN      4.80    
61  GLU-  QG    62    GLU-    HN      4.33    
61  GLU-  QG    95    ILE     QG2     5.98    
62  GLU-  HN    62    GLU-    HB2     3.60    
62  GLU-  HN    62    GLU-    HB3     3.60    
62  GLU-  HN    62    GLU-    QG      5.00    
62  GLU-  HN    63    THR     HN      3.80    
62  GLU-  HN    64    LEU     HN      6.00    
62  GLU-  HA    62    GLU-    HB2     2.90    
62  GLU-  HA    62    GLU-    HB3     2.90    
62  GLU-  HA    62    GLU-    QG      4.00    
62  GLU-  HA    63    THR     QG2     6.30    
62  GLU-  HA    64    LEU     HN      6.00    
62  GLU-  HA    65    MET     HN      4.20    
62  GLU-  HA    65    MET     HB2     4.80    
62  GLU-  HA    65    MET     HB3     4.30    
62  GLU-  HA    65    MET     QG      5.98    
62  GLU-  HB2   63    THR     HN      4.10    
62  GLU-  HB3   63    THR     HN      4.10    
62  GLU-  QB    63    THR     HN      3.85    
62  GLU-  QB    63    THR     QG2     7.88    
63  THR   HN    63    THR     QG2     4.20    
63  THR   HN    63    THR     HG1     4.40    
63  THR   HN    64    LEU     HN      3.30    
63  THR   HN    65    MET     HN      6.00    
63  THR   HN    66    GLU-    HN      6.00    
63  THR   HN    66    GLU-    HB2     4.30    
63  THR   HN    66    GLU-    QG      6.68    
63  THR   HA    63    THR     QG2     3.50    
63  THR   HA    64    LEU     HG      6.00    
63  THR   HA    65    MET     HN      5.10    
63  THR   HA    66    GLU-    HN      4.10    
63  THR   HA    66    GLU-    HB2     3.60    
63  THR   HA    66    GLU-    HB3     4.10    
63  THR   HA    74    TYR     QE      8.00    
63  THR   HB    74    TYR     QE      8.00    
63  THR   QG2   64    LEU     HN      7.00    
63  THR   QG2   66    GLU-    HB2     5.40    
63  THR   QG2   74    TYR     QE      9.00    
64  LEU   HN    64    LEU     HB2     3.60    
64  LEU   HN    64    LEU     HB3     3.50    
64  LEU   HN    64    LEU     HG      3.50    
64  LEU   HN    64    LEU     QD1     4.90    
64  LEU   HN    64    LEU     QD2     5.70    
64  LEU   HN    65    MET     HN      3.70    
64  LEU   HN    66    GLU-    HN      6.00    
64  LEU   HN    67    TYR     HN      5.40    
64  LEU   HN    95    ILE     QD1     7.00    
64  LEU   HA    64    LEU     HG      3.70    
64  LEU   HA    64    LEU     QD1     5.30    
64  LEU   HA    64    LEU     QD2     3.80    
64  LEU   HA    66    GLU-    HN      4.20    
64  LEU   HA    67    TYR     HN      4.30    
64  LEU   HA    68    LEU     HN      4.80    
64  LEU   HB2   64    LEU     HG      2.70    
64  LEU   HB3   64    LEU     HG      3.00    
64  LEU   HG    65    MET     HN      5.70    
64  LEU   HG    95    ILE     QD1     5.70    
64  LEU   HG    18    HES     QM8     5.40    
64  LEU   QD1   65    MET     HN      7.00    
64  LEU   QD1   95    ILE     HA      7.00    
64  LEU   QD1   95    ILE     QG2     6.30    
64  LEU   QD1   95    ILE     QD1     6.10    
64  LEU   QD1   98    LEU     QD2     6.90    
64  LEU   QD1   18    HES     QM8     6.90    
64  LEU   QD1   18    HES     HDM     7.00    
64  LEU   QD2   65    MET     HN      7.00    
64  LEU   QD2   68    LEU     QD1     7.70    
64  LEU   QD2   68    LEU     QD2     6.20    
64  LEU   QD2   95    ILE     QG2     7.30    
64  LEU   QD2   18    HES     QM8     3.80    
64  LEU   QD2   18    HES     HDM     5.60    
64  LEU   QD2   18    HES     QM1     7.00    
65  MET   HN    65    MET     HB2     3.50    
65  MET   HN    65    MET     HB3     3.20    
65  MET   HN    65    MET     HG2     3.70    
65  MET   HN    65    MET     HG3     3.70    
65  MET   HN    65    MET     QE      5.50    
65  MET   HN    66    GLU-    HN      3.70    
65  MET   HN    67    TYR     HN      5.60    
65  MET   HN    95    ILE     QD1     5.40    
65  MET   HA    65    MET     HG2     4.00    
65  MET   HA    65    MET     HG3     4.00    
65  MET   HA    65    MET     QG      3.65    
65  MET   HA    65    MET     QE      6.30    
65  MET   HA    67    TYR     HN      5.00    
65  MET   HA    95    ILE     QD1     4.60    
65  MET   HB2   66    GLU-    HN      3.90    
65  MET   HB2   95    ILE     QD1     6.00    
65  MET   HB3   66    GLU-    HN      4.10    
65  MET   HB3   95    ILE     QG2     5.90    
65  MET   HB3   95    ILE     QD1     4.30    
65  MET   HG2   66    GLU-    HN      6.00    
65  MET   HG2   95    ILE     QD1     6.40    
65  MET   HG3   66    GLU-    HN      6.00    
65  MET   HG3   95    ILE     QD1     6.40    
65  MET   QG    95    ILE     QD1     5.68    
65  MET   QE    92    GLU-    HN      6.30    
65  MET   QE    92    GLU-    HA      4.60    
65  MET   QE    92    GLU-    QB      5.90    
65  MET   QE    95    ILE     QD1     5.60    
66  GLU-  HN    66    GLU-    HB2     3.20    
66  GLU-  HN    66    GLU-    HB3     3.50    
66  GLU-  HN    66    GLU-    QG      6.28    
66  GLU-  HN    67    TYR     HN      3.50    
66  GLU-  HA    66    GLU-    HB2     3.00    
66  GLU-  HA    66    GLU-    QG      3.55    
66  GLU-  HA    69    GLU-    HN      4.60    
66  GLU-  HB2   66    GLU-    QG      2.65    
66  GLU-  HB2   67    TYR     HN      3.20    
66  GLU-  HB2   67    TYR     HA      4.80    
66  GLU-  HB2   68    LEU     HN      5.30    
66  GLU-  HB3   67    TYR     HN      3.60    
66  GLU-  HB3   74    TYR     QD      8.00    
66  GLU-  HB3   74    TYR     QE      7.30    
66  GLU-  QG    74    TYR     QD      8.88    
66  GLU-  QG    74    TYR     QE      8.88    
67  TYR   HN    67    TYR     HB2     3.60    
67  TYR   HN    67    TYR     HB3     3.70    
67  TYR   HN    74    TYR     QD      8.00    
67  TYR   HN    74    TYR     QE      8.00    
67  TYR   HA    68    LEU     HA      4.90    
67  TYR   HA    70    ASN     HN      4.20    
67  TYR   HA    70    ASN     HB2     5.20    
67  TYR   HA    70    ASN     HB3     5.20    
67  TYR   HA    70    ASN     QB      4.64    
67  TYR   HA    74    TYR     HN      4.10    
67  TYR   HA    74    TYR     QB      5.38    
67  TYR   HA    74    TYR     QD      6.70    
67  TYR   HA    74    TYR     QE      8.00    
67  TYR   HB2   68    LEU     HN      4.40    
67  TYR   HB2   74    TYR     QD      6.30    
67  TYR   HB3   68    LEU     HN      4.20    
67  TYR   HB3   68    LEU     HA      6.00    
67  TYR   HB3   68    LEU     QB      7.00    
67  TYR   HB3   68    LEU     QD1     7.00    
67  TYR   HB3   68    LEU     QD2     6.50    
67  TYR   HB3   74    TYR     QD      8.00    
68  LEU   HN    68    LEU     HG      3.20    
68  LEU   HN    68    LEU     QD1     5.20    
68  LEU   HN    68    LEU     QD2     4.40    
68  LEU   HN    69    GLU-    HN      3.80    
68  LEU   HN    70    ASN     HN      5.30    
68  LEU   HA    68    LEU     HG      3.60    
68  LEU   HA    68    LEU     QD1     4.40    
68  LEU   HA    68    LEU     QD2     4.50    
68  LEU   HA    70    ASN     HN      4.80    
68  LEU   HA    71    PRO     HG2     6.00    
68  LEU   HA    71    PRO     HG3     6.00    
68  LEU   QD1   69    GLU-    HN      7.00    
68  LEU   QD1   82    PHE     QD      9.00    
68  LEU   QD1   82    PHE     QE      9.00    
68  LEU   QD1   85    ILE     QD1     7.90    
68  LEU   QD1   18    HES     QM8     7.00    
68  LEU   QD1   18    HES     HDM     5.40    
68  LEU   QD1   18    HES     QM1     4.60    
68  LEU   QD1   18    HES     QT2     4.70    
68  LEU   QD2   69    GLU-    HN      7.00    
68  LEU   QD2   18    HES     QM8     4.90    
68  LEU   QD2   18    HES     HDM     6.20    
68  LEU   QD2   18    HES     QM1     4.10    
68  LEU   QD2   18    HES     QT2     5.20    
69  GLU-  HN    69    GLU-    HB2     4.20    
69  GLU-  HN    69    GLU-    HB3     4.20    
69  GLU-  HN    69    GLU-    QB      3.72    
69  GLU-  HN    69    GLU-    QG      4.30    
69  GLU-  HN    70    ASN     HN      3.40    
69  GLU-  HB2   70    ASN     HN      4.80    
69  GLU-  HB3   70    ASN     HN      4.80    
69  GLU-  QB    70    ASN     HN      4.28    
69  GLU-  QB    70    ASN     QB      7.15    
69  GLU-  QG    70    ASN     HN      6.70    
70  ASN   HN    70    ASN     HB2     3.90    
70  ASN   HN    70    ASN     HB3     3.90    
70  ASN   HN    71    PRO     HA      5.10    
70  ASN   HN    71    PRO     HD2     6.00    
70  ASN   HN    71    PRO     HD3     5.30    
70  ASN   HA    71    PRO     HA      4.60    
70  ASN   HA    71    PRO     QG      5.72    
70  ASN   HA    71    PRO     HD2     3.80    
70  ASN   HA    72    LYS+    HN      6.00    
70  ASN   HA    73    LYS+    HN      6.00    
70  ASN   HA    73    LYS+    QB      5.20    
70  ASN   HA    73    LYS+    QG      5.48    
70  ASN   HB2   71    PRO     HA      6.00    
70  ASN   HB3   71    PRO     HA      6.00    
70  ASN   QB    71    PRO     HA      5.27    
70  ASN   QB    72    LYS+    HN      6.68    
70  ASN   QB    73    LYS+    HN      5.28    
70  ASN   QB    73    LYS+    QB      5.98    
70  ASN   QB    74    TYR     HN      6.28    
71  PRO   HA    73    LYS+    HN      5.20    
71  PRO   HA    74    TYR     HB2     4.80    
71  PRO   HA    74    TYR     HB3     4.80    
71  PRO   HA    74    TYR     QB      4.38    
71  PRO   HA    75    ILE     HN      5.70    
71  PRO   HB2   72    LYS+    HN      3.80    
71  PRO   HB3   72    LYS+    HN      4.40    
71  PRO   HG2   80    MET     QE      6.00    
71  PRO   HG2   82    PHE     QD      7.70    
71  PRO   HG3   80    MET     QE      6.00    
71  PRO   HG3   82    PHE     QD      7.70    
71  PRO   QG    80    MET     QE      5.84    
71  PRO   QG    82    PHE     QD      7.50    
72  LYS+  HN    72    LYS+    HB2     3.80    
72  LYS+  HN    72    LYS+    HB3     3.80    
72  LYS+  HN    72    LYS+    QG      6.50    
72  LYS+  HN    73    LYS+    HN      3.30    
72  LYS+  HN    74    TYR     HN      5.80    
72  LYS+  HN    78    THR     QG2     5.50    
72  LYS+  HA    74    TYR     HN      4.90    
72  LYS+  HA    75    ILE     HN      3.80    
72  LYS+  HA    78    THR     HN      4.50    
72  LYS+  HA    78    THR     HB      4.50    
72  LYS+  HA    78    THR     QG2     4.60    
72  LYS+  HB2   72    LYS+    QE      5.00    
72  LYS+  HB2   78    THR     QG2     6.00    
72  LYS+  HB3   72    LYS+    QE      5.00    
72  LYS+  HB3   78    THR     QG2     6.00    
72  LYS+  QB    72    LYS+    QE      4.72    
72  LYS+  QB    73    LYS+    HN      5.18    
72  LYS+  QB    78    THR     QG2     5.59    
72  LYS+  QG    73    LYS+    HN      7.00    
72  LYS+  QG    78    THR     QG2     6.60    
73  LYS+  HN    73    LYS+    QB      3.90    
73  LYS+  HN    73    LYS+    QG      5.58    
73  LYS+  HN    74    TYR     HN      3.30    
73  LYS+  HN    75    ILE     HN      5.10    
73  LYS+  HA    73    LYS+    QG      3.58    
73  LYS+  QB    74    TYR     HN      5.00    
73  LYS+  QG    74    TYR     HN      6.68    
74  TYR   HN    74    TYR     HB2     3.50    
74  TYR   HN    74    TYR     HB3     3.50    
74  TYR   HN    74    TYR     QE      5.00    
74  TYR   HN    75    ILE     HN      3.40    
74  TYR   HA    74    TYR     QE      4.90    
74  TYR   QD    75    ILE     QG2     9.00    
74  TYR   QD    75    ILE     QG1     8.70    
74  TYR   QD    75    ILE     QD1     7.70    
75  ILE   HN    75    ILE     HB      3.80    
75  ILE   HN    75    ILE     QD1     7.00    
75  ILE   HN    78    THR     QG2     7.00    
75  ILE   HA    76    PRO     HD2     3.80    
75  ILE   HB    78    THR     HN      6.00    
75  ILE   HB    78    THR     QG2     6.40    
75  ILE   QG2   76    PRO     HD2     6.40    
75  ILE   QG2   76    PRO     HD3     6.60    
75  ILE   QG2   78    THR     HN      6.00    
75  ILE   QG2   78    THR     HA      6.80    
75  ILE   QG2   78    THR     HB      4.30    
75  ILE   QG2   78    THR     QG2     6.90    
75  ILE   QG1   78    THR     QG2     8.00    
75  ILE   QD1   78    THR     QG2     8.00    
76  PRO   HA    77    GLY     HN      3.50    
76  PRO   HB2   77    GLY     HN      4.70    
76  PRO   HB3   77    GLY     HN      4.70    
76  PRO   HD3   77    GLY     HN      5.80    
77  GLY   HN    78    THR     HN      4.40    
77  GLY   HN    78    THR     QG2     7.00    
78  THR   HN    78    THR     HB      3.60    
78  THR   HN    78    THR     QG2     3.70    
78  THR   HA    78    THR     HG1     3.50    
78  THR   HA    80    MET     HN      5.80    
78  THR   HB    79    LYS+    HN      5.30    
78  THR   QG2   79    LYS+    HN      7.00    
78  THR   QG2   80    MET     HN      5.30    
78  THR   QG2   80    MET     HB2     5.80    
78  THR   QG2   80    MET     HB3     7.00    
79  LYS+  HN    79    LYS+    QG      4.78    
79  LYS+  HN    79    LYS+    QD      4.98    
79  LYS+  HN    80    MET     HN      4.20    
79  LYS+  HA    79    LYS+    QD      4.48    
79  LYS+  QB    79    LYS+    QD      3.34    
79  LYS+  QB    79    LYS+    QE      5.48    
79  LYS+  QB    80    MET     HN      5.48    
79  LYS+  QB    18    HES     QM5     6.68    
79  LYS+  QG    18    HES     QM5     7.68    
79  LYS+  QD    18    HES     QM5     5.68    
79  LYS+  QE    18    HES     QM5     7.80    
80  MET   HN    80    MET     HB2     3.90    
80  MET   HN    18    HES     QM5     6.90    
80  MET   HA    80    MET     HG3     3.90    
80  MET   HA    81    ILE     HN      3.50    
80  MET   HA    18    HES     HBM     5.40    
80  MET   HA    18    HES     QM5     5.00    
80  MET   HG2   82    PHE     HB2     6.00    
80  MET   HG2   82    PHE     QD      8.00    
80  MET   HG2   82    PHE     HZ      6.00    
80  MET   HG3   81    ILE     HN      6.00    
80  MET   HG3   82    PHE     HB2     6.00    
80  MET   HG3   82    PHE     QE      8.00    
80  MET   HG3   82    PHE     HZ      6.00    
80  MET   SD    18    HES     ZN      2.65    
80  MET   QE    82    PHE     HB2     6.20    
80  MET   QE    82    PHE     HB3     6.20    
80  MET   QE    82    PHE     QD      8.20    
80  MET   QE    82    PHE     QE      9.00    
80  MET   QE    18    HES     HDM     6.30    
80  MET   QE    18    HES     HAM     5.80    
80  MET   QE    18    HES     HBM     7.50    
80  MET   QE    18    HES     HGM     9.00    
81  ILE   HN    81    ILE     HB      3.60    
81  ILE   HN    81    ILE     QG2     4.90    
81  ILE   HN    81    ILE     QG1     4.68    
81  ILE   HN    81    ILE     QD1     5.20    
81  ILE   HN    82    PHE     HN      4.50    
81  ILE   HN    18    HES     QT4     7.00    
81  ILE   HA    81    ILE     QG1     3.89    
81  ILE   HA    81    ILE     QD1     4.00    
81  ILE   HA    82    PHE     HN      3.10    
81  ILE   HB    82    PHE     HN      5.10    
81  ILE   HB    18    HES     QT4     6.60    
81  ILE   QG2   82    PHE     HN      7.00    
81  ILE   QG2   18    HES     QT4     5.80    
81  ILE   QG1   18    HES     QT4     7.38    
81  ILE   QD1   82    PHE     HN      7.00    
82  PHE   HN    82    PHE     HB2     3.70    
82  PHE   HN    82    PHE     QE      7.00    
82  PHE   HA    83    ALA     QB      4.60    
82  PHE   QD    83    ALA     HA      8.00    
82  PHE   QD    84    GLY     QA      8.88    
82  PHE   QD    18    HES     HAM     8.00    
82  PHE   QD    18    HES     QM3     8.50    
82  PHE   QE    84    GLY     HA2     8.00    
82  PHE   QE    84    GLY     HA3     8.00    
82  PHE   QE    85    ILE     HN      8.00    
82  PHE   QE    85    ILE     HG12    7.70    
82  PHE   QE    85    ILE     HG13    7.70    
82  PHE   QE    85    ILE     QG1     7.31    
82  PHE   QE    85    ILE     QD1     8.10    
82  PHE   QE    18    HES     QT2     7.60    
82  PHE   QE    18    HES     HAM     8.00    
82  PHE   HZ    84    GLY     QA      6.88    
82  PHE   HZ    85    ILE     HN      6.00    
82  PHE   HZ    85    ILE     HB      6.00    
82  PHE   HZ    85    ILE     HG12    5.00    
82  PHE   HZ    85    ILE     HG13    5.00    
82  PHE   HZ    85    ILE     QG1     4.68    
82  PHE   HZ    85    ILE     QD1     5.40    
82  PHE   HZ    18    HES     QT2     5.50    
83  ALA   HA    84    GLY     QA      5.58    
83  ALA   QB    84    GLY     HA2     5.30    
83  ALA   QB    84    GLY     HA3     5.30    
83  ALA   QB    84    GLY     QA      5.03    
84  GLY   HA2   85    ILE     HN      3.60    
84  GLY   HA3   85    ILE     HN      3.60    
85  ILE   HN    85    ILE     HB      3.60    
85  ILE   HN    85    ILE     HG12    3.80    
85  ILE   HN    85    ILE     HG13    3.80    
85  ILE   HN    85    ILE     QG1     3.55    
85  ILE   HN    85    ILE     QD1     6.00    
85  ILE   HN    86    LYS+    HN      3.90    
85  ILE   HN    86    LYS+    HA      5.10    
85  ILE   HA    85    ILE     HG12    3.40    
85  ILE   HA    85    ILE     HG13    3.40    
85  ILE   HA    85    ILE     QD1     4.80    
85  ILE   HA    86    LYS+    HN      3.60    
85  ILE   HB    86    LYS+    HN      4.70    
85  ILE   HB    90    GLU-    HN      5.90    
85  ILE   QG2   86    LYS+    HN      5.90    
85  ILE   QG2   87    LYS+    HN      5.10    
85  ILE   QG2   87    LYS+    HB2     5.50    
85  ILE   QG2   87    LYS+    HB3     5.50    
85  ILE   QG2   87    LYS+    QB      5.23    
85  ILE   QG2   90    GLU-    HN      7.00    
85  ILE   QG2   90    GLU-    HB2     4.50    
85  ILE   QG2   90    GLU-    HB3     4.40    
85  ILE   QG2   90    GLU-    QG      5.98    
85  ILE   QG2   91    ARG+    HN      6.00    
85  ILE   QG2   91    ARG+    HA      5.00    
85  ILE   QG2   91    ARG+    QB      6.50    
85  ILE   QG1   18    HES     QT2     6.78    
85  ILE   QD1   90    GLU-    HB2     6.10    
85  ILE   QD1   90    GLU-    HB3     4.20    
85  ILE   QD1   90    GLU-    QG      7.28    
85  ILE   QD1   91    ARG+    HA      6.00    
85  ILE   QD1   94    LEU     QQD     6.97    
85  ILE   QD1   18    HES     QT2     4.10    
86  LYS+  HN    86    LYS+    HG2     4.90    
86  LYS+  HN    86    LYS+    HG3     4.90    
86  LYS+  HN    86    LYS+    QG      4.53    
86  LYS+  HN    87    LYS+    HN      4.10    
86  LYS+  HN    87    LYS+    QG      6.78    
86  LYS+  HA    86    LYS+    HG2     3.90    
86  LYS+  HA    86    LYS+    HG3     3.90    
86  LYS+  HA    86    LYS+    QG      3.65    
86  LYS+  QB    87    LYS+    HN      5.30    
87  LYS+  HN    87    LYS+    HB2     3.50    
87  LYS+  HN    87    LYS+    HB3     3.50    
87  LYS+  HN    87    LYS+    QB      3.29    
87  LYS+  HN    87    LYS+    HG2     3.40    
87  LYS+  HN    87    LYS+    HG3     3.40    
87  LYS+  HN    87    LYS+    QG      3.18    
87  LYS+  HA    87    LYS+    HG2     3.60    
87  LYS+  HA    87    LYS+    HG3     3.60    
87  LYS+  HA    87    LYS+    QG      3.20    
87  LYS+  HA    88    LYS+    HA      4.50    
87  LYS+  HA    89    THR     HN      4.40    
87  LYS+  HB2   90    GLU-    HN      3.90    
87  LYS+  HB3   90    GLU-    HN      3.90    
87  LYS+  QB    90    GLU-    HN      3.70    
88  LYS+  HA    88    LYS+    HB2     3.00    
88  LYS+  HA    88    LYS+    HB3     3.00    
88  LYS+  HA    88    LYS+    QG      3.71    
88  LYS+  HA    89    THR     HN      3.60    
88  LYS+  HA    90    GLU-    HN      5.40    
88  LYS+  HA    91    ARG+    HN      4.40    
88  LYS+  HA    91    ARG+    QB      5.30    
88  LYS+  HA    92    GLU-    HN      4.60    
88  LYS+  HB2   89    THR     HN      4.20    
88  LYS+  HB3   89    THR     HN      4.20    
88  LYS+  QB    89    THR     HN      3.96    
89  THR   HN    89    THR     HB      3.80    
89  THR   HN    89    THR     QG2     3.60    
89  THR   HN    90    GLU-    HN      3.60    
89  THR   HN    91    ARG+    HN      6.00    
89  THR   HA    89    THR     QG2     3.80    
89  THR   HA    92    GLU-    HN      3.70    
89  THR   HA    92    GLU-    QB      5.30    
89  THR   HA    92    GLU-    HG2     4.30    
89  THR   HA    92    GLU-    HG3     4.10    
89  THR   HA    93    ASP-    HN      4.30    
89  THR   HB    90    GLU-    HN      4.30    
89  THR   QG2   90    GLU-    HN      6.80    
89  THR   QG2   92    GLU-    HN      7.00    
90  GLU-  HN    90    GLU-    HB2     3.50    
90  GLU-  HN    90    GLU-    HB3     3.90    
90  GLU-  HN    90    GLU-    HG2     3.90    
90  GLU-  HN    90    GLU-    HG3     3.90    
90  GLU-  HN    90    GLU-    QG      3.50    
90  GLU-  HN    91    ARG+    HN      3.40    
90  GLU-  HN    92    GLU-    HN      6.00    
90  GLU-  HA    90    GLU-    HG2     3.10    
90  GLU-  HA    90    GLU-    HG3     3.10    
90  GLU-  HA    93    ASP-    HN      4.30    
90  GLU-  HB2   91    ARG+    HN      4.90    
90  GLU-  HB3   91    ARG+    HN      3.40    
90  GLU-  HB3   91    ARG+    HA      3.90    
90  GLU-  HB3   91    ARG+    QB      7.00    
90  GLU-  HB3   92    GLU-    HN      6.00    
91  ARG+  HN    92    GLU-    HN      3.50    
91  ARG+  HN    93    ASP-    HN      5.20    
91  ARG+  HA    95    ILE     HN      5.30    
91  ARG+  HA    95    ILE     QD1     5.40    
91  ARG+  QB    92    GLU-    QB      6.00    
91  ARG+  QB    93    ASP-    HN      6.40    
92  GLU-  HN    92    GLU-    HG2     3.10    
92  GLU-  HN    92    GLU-    HG3     3.20    
92  GLU-  HN    93    ASP-    HN      4.30    
92  GLU-  HA    92    GLU-    HG2     3.10    
92  GLU-  HA    92    GLU-    HG3     3.10    
92  GLU-  HA    94    LEU     HN      3.90    
92  GLU-  HA    95    ILE     HN      4.10    
92  GLU-  HA    95    ILE     HB      3.10    
92  GLU-  HA    95    ILE     QG2     5.90    
92  GLU-  HA    95    ILE     QG1     4.88    
92  GLU-  HA    96    ALA     HN      6.00    
93  ASP-  HN    93    ASP-    HB2     4.10    
93  ASP-  HN    93    ASP-    HB3     4.10    
93  ASP-  HN    93    ASP-    QB      3.85    
93  ASP-  HN    94    LEU     HN      3.70    
93  ASP-  HN    94    LEU     QQD     8.57    
93  ASP-  HA    96    ALA     QB      3.60    
93  ASP-  HB2   94    LEU     HN      4.50    
93  ASP-  HB3   94    LEU     HN      4.50    
93  ASP-  QB    94    LEU     HN      4.07    
94  LEU   HN    94    LEU     HG      2.80    
94  LEU   HN    94    LEU     QD1     4.90    
94  LEU   HN    94    LEU     QD2     4.90    
94  LEU   HN    95    ILE     HN      3.70    
94  LEU   HN    96    ALA     HN      5.80    
94  LEU   HA    94    LEU     HG      3.20    
94  LEU   HA    94    LEU     QD1     4.50    
94  LEU   HA    94    LEU     QD2     4.50    
94  LEU   HA    94    LEU     QQD     3.91    
94  LEU   HA    98    LEU     HN      6.00    
94  LEU   QB    95    ILE     HN      5.30    
94  LEU   HG    95    ILE     HN      5.00    
94  LEU   HG    18    HES     QM1     7.00    
94  LEU   QQD   97    TYR     HD2     7.07    
94  LEU   QQD   98    LEU     QD1     8.07    
95  ILE   HN    95    ILE     HB      3.10    
95  ILE   HN    95    ILE     QG2     4.40    
95  ILE   HN    95    ILE     QG1     4.18    
95  ILE   HN    95    ILE     QD1     3.90    
95  ILE   HN    96    ALA     HN      3.50    
95  ILE   HN    96    ALA     QB      5.10    
95  ILE   HN    98    LEU     QD2     7.00    
95  ILE   HA    95    ILE     QG1     3.99    
95  ILE   HA    95    ILE     QD1     4.90    
95  ILE   HA    96    ALA     QB      6.60    
95  ILE   HA    98    LEU     HN      3.90    
95  ILE   HA    98    LEU     QB      4.58    
95  ILE   HA    98    LEU     HG      4.30    
95  ILE   HA    98    LEU     QD2     4.80    
95  ILE   HB    96    ALA     HN      4.10    
95  ILE   QG2   96    ALA     HN      6.80    
95  ILE   QG2   96    ALA     HA      6.20    
95  ILE   QD1   98    LEU     QD1     6.00    
96  ALA   HN    96    ALA     QB      3.50    
96  ALA   HA    99    LYS+    HN      4.20    
96  ALA   QB    97    TYR     HN      3.50    
96  ALA   QB    99    LYS+    HN      6.50    
97  TYR   HN    97    TYR     HB2     3.90    
97  TYR   HN    97    TYR     HB3     3.50    
97  TYR   HN    97    TYR     HD1     5.10    
97  TYR   HN    97    TYR     HD2     4.80    
97  TYR   HN    98    LEU     HN      3.70    
97  TYR   HN    99    LYS+    HN      5.40    
97  TYR   HA    97    TYR     HD1     3.00    
97  TYR   HA    97    TYR     HD2     4.50    
97  TYR   HA    97    TYR     HE1     5.40    
97  TYR   HA    99    LYS+    HN      4.00    
97  TYR   HA    100   LYS+    HN      5.30    
97  TYR   HA    100   LYS+    QB      5.70    
97  TYR   HB2   97    TYR     HD1     3.30    
97  TYR   HB2   97    TYR     HD2     3.60    
97  TYR   HB3   97    TYR     HD1     3.70    
97  TYR   HB3   97    TYR     HD2     3.10    
97  TYR   HB3   97    TYR     HE2     4.90    
97  TYR   HB3   98    LEU     HN      4.00    
97  TYR   HD1   98    LEU     HN      6.00    
97  TYR   HD1   101   ALA     QB      6.60    
97  TYR   HD2   98    LEU     HN      5.40    
97  TYR   HD2   98    LEU     QB      6.18    
97  TYR   HD2   98    LEU     QD1     5.80    
97  TYR   HE1   101   ALA     QB      5.10    
97  TYR   HE2   98    LEU     QD1     5.80    
97  TYR   HE2   101   ALA     QB      5.80    
98  LEU   HN    98    LEU     HB2     3.60    
98  LEU   HN    98    LEU     HB3     3.60    
98  LEU   HN    98    LEU     QB      3.39    
98  LEU   HN    98    LEU     HG      4.10    
98  LEU   HN    98    LEU     QD1     4.90    
98  LEU   HN    98    LEU     QD2     4.90    
98  LEU   HN    99    LYS+    HN      4.60    
98  LEU   HA    98    LEU     HG      3.40    
98  LEU   HA    98    LEU     QD1     3.70    
98  LEU   HA    98    LEU     QD2     4.80    
98  LEU   HA    101   ALA     HN      4.40    
98  LEU   HA    101   ALA     QB      3.50    
98  LEU   HA    102   THR     HN      4.70    
98  LEU   HA    102   THR     QG2     5.30    
98  LEU   HG    99    LYS+    HN      5.30    
98  LEU   QD1   18    HES     HDM     7.00    
98  LEU   QD1   18    HES     QM1     5.70    
98  LEU   QD2   18    HES     HDM     6.40    
98  LEU   QD2   18    HES     QM1     4.70    
99  LYS+  HN    99    LYS+    HB2     3.40    
99  LYS+  HN    99    LYS+    HB3     3.40    
99  LYS+  HN    99    LYS+    HG2     6.00    
99  LYS+  HN    99    LYS+    HG3     6.00    
99  LYS+  HN    99    LYS+    QG      5.45    
99  LYS+  HN    100   LYS+    HN      3.60    
99  LYS+  HA    99    LYS+    HG2     3.20    
99  LYS+  HA    99    LYS+    HG3     3.20    
99  LYS+  HA    99    LYS+    QG      2.98    
99  LYS+  HA    102   THR     HN      6.00    
99  LYS+  HB2   100   LYS+    HN      4.50    
99  LYS+  HB3   100   LYS+    HN      4.50    
99  LYS+  QB    100   LYS+    HN      4.07    
100 LYS+  HN    100   LYS+    QB      3.80    
100 LYS+  HN    100   LYS+    HG2     4.40    
100 LYS+  HN    100   LYS+    HG3     4.40    
100 LYS+  HN    100   LYS+    QG      4.06    
100 LYS+  HN    100   LYS+    QD      5.90    
100 LYS+  HN    101   ALA     HN      3.20    
100 LYS+  HN    101   ALA     HA      6.00    
100 LYS+  HN    101   ALA     QB      4.70    
100 LYS+  HA    100   LYS+    HG2     3.60    
100 LYS+  HA    100   LYS+    HG3     3.60    
100 LYS+  HA    100   LYS+    QG      3.24    
100 LYS+  HA    100   LYS+    QD      4.10    
100 LYS+  QB    101   ALA     HN      4.40    
100 LYS+  QB    101   ALA     QB      8.00    
100 LYS+  QG    101   ALA     HN      6.78    
101 ALA   HN    101   ALA     QB      3.50    
101 ALA   HN    102   THR     HN      3.50    
101 ALA   HA    102   THR     QG2     5.30    
101 ALA   HA    103   ASN     HN      4.30    
101 ALA   HA    104   GLU-    HN      5.10    
101 ALA   QB    102   THR     HN      3.60    
101 ALA   QB    102   THR     QG2     7.00    
101 ALA   QB    103   ASN     HN      5.20    
102 THR   HN    102   THR     QG2     4.30    
102 THR   HN    103   ASN     HN      3.60    
102 THR   QG2   103   ASN     HN      5.30    
103 ASN   HN    103   ASN     HB2     3.40    
103 ASN   HN    103   ASN     HB3     3.70    
103 ASN   HN    104   GLU-    HN      3.40    
103 ASN   HA    103   ASN     HB2     2.70    
103 ASN   HA    103   ASN     HB3     3.00    
103 ASN   HB2   103   ASN     HD22    3.80    
103 ASN   HB2   104   GLU-    HN      5.50    
103 ASN   HB3   103   ASN     HD22    3.60    
103 ASN   HB3   104   GLU-    HN      4.10    
104 GLU-  HN    104   GLU-    HB2     4.20    
104 GLU-  HN    104   GLU-    HB3     4.20    
104 GLU-  HN    104   GLU-    QG      4.80    
104 GLU-  HA    104   GLU-    QG      3.40    
18  HES   QAP7  18    HES     QM8     5.39    
18  HES   HBP73 18    HES     HGM     4.90    
18  HES   HBP74 18    HES     HGM     4.90    
18  HES   QBP7  18    HES     HGM     4.38    
18  HES   QM8   18    HES     QM1     5.80    
18  HES   HDM   18    HES     QT2     5.90    
18  HES   QM1   18    HES     QT2     3.50    
18  HES   HT2A  18    HES     HAM     2.70    
18  HES   HT2A  18    HES     QM3     4.90    
18  HES   QT2   18    HES     HAM     4.50    
18  HES   QM3   18    HES     HT4A    6.40    
18  HES   QM3   18    HES     QT4     4.00    
18  HES   HT4A  18    HES     HBM     2.50    
18  HES   HT4A  18    HES     QM5     4.80    
18  HES   QT4   18    HES     HBM     4.50    
18  HES   QM5   18    HES     QAP6    6.49    
18  HES   HGM   18    HES     QBP6    4.90    

  Entry H atom name         Submitted Coord H atom name
    1   1H    GLY   1          H1        GLY   1  -9.726  12.491   5.021
    2   2H    GLY   1          H2        GLY   1 -10.999  11.615   5.659
    3   3H    GLY   1          H3        GLY   1 -10.715  13.192   6.115
    4   1HA   GLY   1          HA2       GLY   1  -9.753  11.896   7.835
    5   2HA   GLY   1          HA1       GLY   1  -8.877  10.970   6.589
    6    H    ASP   2           HN       ASP   2  -7.198  11.882   8.177
    7    HA   ASP   2           HA       ASP   2  -6.200  14.645   7.619
    8   1HB   ASP   2          HB2       ASP   2  -6.512  13.049  10.208
    9   2HB   ASP   2          HB3       ASP   2  -5.920  14.686  10.114
   10    H    VAL   3           HN       VAL   3  -3.886  14.798   7.538
   11    HA   VAL   3           HA       VAL   3  -2.402  12.434   7.095
   12    HB   VAL   3           HB       VAL   3  -1.680  15.306   7.680
   13   1HG1  VAL   3          HG11      VAL   3   0.242  14.045   8.347
   14   2HG1  VAL   3          HG12      VAL   3   0.254  13.258   6.743
   15   3HG1  VAL   3          HG13      VAL   3   0.525  15.002   6.886
   16   1HG2  VAL   3          HG21      VAL   3  -1.363  13.752   5.098
   17   2HG2  VAL   3          HG22      VAL   3  -2.844  14.666   5.442
   18   3HG2  VAL   3          HG23      VAL   3  -1.279  15.500   5.295
   19    H    GLU   4           HN       GLU   4  -2.838  14.471  10.021
   20    HA   GLU   4           HA       GLU   4  -0.681  13.332  11.470
   21   1HB   GLU   4          HB2       GLU   4  -3.191  14.775  12.382
   22   2HB   GLU   4          HB3       GLU   4  -1.824  14.350  13.418
   23   1HG   GLU   4          HG2       GLU   4  -0.293  15.649  11.945
   24   2HG   GLU   4          HG3       GLU   4  -1.674  16.139  10.951
   25    H    LYS   5           HN       LYS   5  -4.193  12.605  11.358
   26    HA   LYS   5           HA       LYS   5  -4.089  10.379  13.117
   27   1HB   LYS   5          HB2       LYS   5  -6.032  11.098  10.907
   28   2HB   LYS   5          HB3       LYS   5  -6.282   9.834  12.125
   29   1HG   LYS   5          HG2       LYS   5  -5.917  11.459  13.917
   30   2HG   LYS   5          HG3       LYS   5  -5.726  12.786  12.804
   31   1HD   LYS   5          HD2       LYS   5  -7.935  12.468  14.126
   32   2HD   LYS   5          HD3       LYS   5  -7.922  13.147  12.511
   33   1HE   LYS   5          HE2       LYS   5  -8.412  10.171  12.920
   34   2HE   LYS   5          HE3       LYS   5  -9.708  11.358  13.121
   35   1HZ   LYS   5          HZ1       LYS   5  -8.104  11.181  10.656
   36   2HZ   LYS   5          HZ2       LYS   5  -9.449  10.409  10.809
   37   3HZ   LYS   5          HZ3       LYS   5  -9.365  12.118  10.854
   38    H    GLY   6           HN       GLY   6  -3.857  10.689   9.505
   39   1HA   GLY   6          HA1       GLY   6  -3.469   8.076   8.780
   40   2HA   GLY   6          HA2       GLY   6  -2.734   9.493   8.038
   41    H    LYS   7           HN       LYS   7  -0.887  10.322  10.078
   42    HA   LYS   7           HA       LYS   7   1.310   8.606   9.935
   43   1HB   LYS   7          HB2       LYS   7   0.484  10.876  11.619
   44   2HB   LYS   7          HB3       LYS   7   1.655   9.808  12.379
   45   1HG   LYS   7          HG2       LYS   7   1.978  10.923   9.562
   46   2HG   LYS   7          HG3       LYS   7   2.462  11.746  11.019
   47   1HD   LYS   7          HD2       LYS   7   3.777   9.536  11.605
   48   2HD   LYS   7          HD3       LYS   7   3.587   9.170   9.882
   49   1HE   LYS   7          HE2       LYS   7   4.698  11.408   9.381
   50   2HE   LYS   7          HE3       LYS   7   4.963  11.618  11.118
   51   1HZ   LYS   7          HZ1       LYS   7   6.059   9.504   9.378
   52   2HZ   LYS   7          HZ2       LYS   7   6.917  10.660   9.978
   53   3HZ   LYS   7          HZ3       LYS   7   6.301   9.533  11.020
   54    H    LYS   8           HN       LYS   8  -1.012   8.946  12.651
   55    HA   LYS   8           HA       LYS   8   0.027   6.858  14.273
   56   1HB   LYS   8          HB2       LYS   8  -2.852   7.871  14.155
   57   2HB   LYS   8          HB3       LYS   8  -2.081   7.016  15.495
   58   1HG   LYS   8          HG2       LYS   8  -1.530   9.830  14.491
   59   2HG   LYS   8          HG3       LYS   8  -2.299   9.355  15.996
   60   1HD   LYS   8          HD2       LYS   8  -0.152   8.349  16.770
   61   2HD   LYS   8          HD3       LYS   8   0.622   8.872  15.252
   62   1HE   LYS   8          HE2       LYS   8   0.042  11.241  15.754
   63   2HE   LYS   8          HE3       LYS   8  -0.711  10.741  17.277
   64   1HZ   LYS   8          HZ1       LYS   8   1.440   9.972  18.017
   65   2HZ   LYS   8          HZ2       LYS   8   2.140  10.435  16.598
   66   3HZ   LYS   8          HZ3       LYS   8   1.497  11.561  17.605
   67    H    ILE   9           HN       ILE   9  -2.779   6.846  12.048
   68    HA   ILE   9           HA       ILE   9  -3.451   4.115  12.410
   69    HB   ILE   9           HB       ILE   9  -3.995   5.965  10.078
   70   1HG1  ILE   9          HG12      ILE   9  -4.898   6.847  12.237
   71   2HG1  ILE   9          HG13      ILE   9  -6.137   6.379  11.093
   72   1HG2  ILE   9          HG21      ILE   9  -4.358   3.681   9.368
   73   2HG2  ILE   9          HG22      ILE   9  -5.258   3.298  10.837
   74   3HG2  ILE   9          HG23      ILE   9  -5.931   4.435   9.645
   75   1HD1  ILE   9          HD11      ILE   9  -5.274   4.780  13.534
   76   2HD1  ILE   9          HD12      ILE   9  -6.735   5.756  13.362
   77   3HD1  ILE   9          HD13      ILE   9  -6.550   4.295  12.387
   78    H    PHE  10           HN       PHE  10  -1.255   5.692  10.010
   79    HA   PHE  10           HA       PHE  10  -0.582   3.321   8.577
   80   1HB   PHE  10          HB2       PHE  10   0.006   5.613   7.820
   81   2HB   PHE  10          HB3       PHE  10   1.153   5.760   9.141
   82    HD1  PHE  10           HD1      PHE  10   0.515   4.367   5.814
   83    HD2  PHE  10           HD2      PHE  10   3.222   4.285   9.174
   84    HE1  PHE  10           HE1      PHE  10   2.166   3.116   4.460
   85    HE2  PHE  10           HE2      PHE  10   4.814   2.938   7.853
   86    HZ   PHE  10           HZ       PHE  10   4.304   2.370   5.481
   87    H    VAL  11           HN       VAL  11   0.873   4.851  11.501
   88    HA   VAL  11           HA       VAL  11   2.878   2.886  11.704
   89    HB   VAL  11           HB       VAL  11   2.076   5.283  13.125
   90   1HG1  VAL  11          HG11      VAL  11   2.873   4.728  15.335
   91   2HG1  VAL  11          HG12      VAL  11   1.382   3.869  14.913
   92   3HG1  VAL  11          HG13      VAL  11   2.963   3.002  14.877
   93   1HG2  VAL  11          HG21      VAL  11   4.661   3.688  13.107
   94   2HG2  VAL  11          HG22      VAL  11   4.200   4.920  11.906
   95   3HG2  VAL  11          HG23      VAL  11   4.467   5.385  13.598
   96    H    GLN  12           HN       GLN  12  -0.436   3.001  12.958
   97    HA   GLN  12           HA       GLN  12  -0.160   0.663  14.587
   98   1HB   GLN  12          HB2       GLN  12  -2.486   2.109  13.256
   99   2HB   GLN  12          HB3       GLN  12  -2.759   0.670  14.218
  100   1HG   GLN  12          HG2       GLN  12  -1.843   1.718  16.205
  101   2HG   GLN  12          HG3       GLN  12  -1.305   3.126  15.280
  102   1HE2  GLN  12          HE21      GLN  12  -2.645   4.187  17.089
  103   2HE2  GLN  12          HE22      GLN  12  -4.353   4.400  16.741
  104    H    LYS  13           HN       LYS  13  -1.474   1.156  11.305
  105    HA   LYS  13           HA       LYS  13  -2.157  -1.644  11.020
  106   1HB   LYS  13          HB2       LYS  13  -2.207   0.637   9.034
  107   2HB   LYS  13          HB3       LYS  13  -3.037  -0.911   8.837
  108   1HG   LYS  13          HG2       LYS  13  -3.653   1.028  11.126
  109   2HG   LYS  13          HG3       LYS  13  -4.374   1.145   9.527
  110   1HD   LYS  13          HD2       LYS  13  -5.285  -1.182   9.829
  111   2HD   LYS  13          HD3       LYS  13  -4.646  -1.168  11.492
  112   1HE   LYS  13          HE2       LYS  13  -5.980   0.891  11.996
  113   2HE   LYS  13          HE3       LYS  13  -6.546   0.945  10.324
  114   1HZ   LYS  13          HZ1       LYS  13  -8.212   0.098  11.523
  115   2HZ   LYS  13          HZ2       LYS  13  -7.631  -1.198  10.733
  116   3HZ   LYS  13          HZ3       LYS  13  -7.310  -1.020  12.354
  117    H    CYS  14           HN       CYS  14   0.225   0.561   9.428
  118    HA   CYS  14           HA       CYS  14   1.046  -1.671   7.687
  119   1HB   CYS  14          HB2       CYS  14   2.036   1.047   7.275
  120   2HB   CYS  14          HB3       CYS  14   1.610  -0.166   6.093
  121    H    ALA  15           HN       ALA  15   2.426   0.490  10.148
  122    HA   ALA  15           HA       ALA  15   5.088   0.466   9.891
  123   1HB   ALA  15          HB1       ALA  15   4.134   1.267  11.911
  124   2HB   ALA  15          HB2       ALA  15   3.707  -0.403  12.413
  125   3HB   ALA  15          HB3       ALA  15   5.397   0.109  12.290
  126    H    GLN  16           HN       GLN  16   3.231  -2.313  10.991
  127    HA   GLN  16           HA       GLN  16   5.180  -4.100  11.850
  128   1HB   GLN  16          HB2       GLN  16   2.526  -4.603  10.434
  129   2HB   GLN  16          HB3       GLN  16   3.462  -5.846  11.279
  130   1HG   GLN  16          HG2       GLN  16   3.269  -4.631  13.397
  131   2HG   GLN  16          HG3       GLN  16   2.397  -3.304  12.622
  132   1HE2  GLN  16          HE21      GLN  16   0.160  -3.565  12.064
  133   2HE2  GLN  16          HE22      GLN  16  -0.721  -4.985  12.594
  134    H    CYS  17           HN       CYS  17   4.396  -3.162   8.595
  135    HA   CYS  17           HA       CYS  17   6.183  -5.258   7.430
  136   1HB   CYS  17          HB2       CYS  17   3.568  -4.138   6.437
  137   2HB   CYS  17          HB3       CYS  17   4.605  -5.239   5.526
  138    H    HIS  18           HN       HIS  18   4.982  -1.882   7.139
  139    HA   HIS  18           HA       HIS  18   7.078  -1.331   5.063
  140   1HB   HIS  18          HB2       HIS  18   4.344  -0.061   5.502
  141   2HB   HIS  18          HB3       HIS  18   5.545   0.496   4.336
  142    HD1  HIS  18           HD1      HIS  18   5.600  -0.657   2.020
  143    HD2  HIS  18           HD2      HIS  18   2.822  -2.066   4.819
  144    HE1  HIS  18           HE1      HIS  18   3.785  -1.906   0.698
  145    H    THR  19           HN       THR  19   7.856   0.877   5.088
  146    HA   THR  19           HA       THR  19   7.097   2.712   7.178
  147    HB   THR  19           HB       THR  19   8.463   1.633   8.645
  148    HG1  THR  19           HG1      THR  19  10.067   3.135   9.004
  149   1HG2  THR  19          HG21      THR  19  10.446   1.341   6.396
  150   2HG2  THR  19          HG22      THR  19  10.881   1.092   8.113
  151   3HG2  THR  19          HG23      THR  19   9.659   0.070   7.345
  152    H    VAL  20           HN       VAL  20   6.367   3.571   5.155
  153    HA   VAL  20           HA       VAL  20   8.245   4.324   3.057
  154    HB   VAL  20           HB       VAL  20   6.012   3.544   2.646
  155   1HG1  VAL  20          HG11      VAL  20   4.033   4.751   2.924
  156   2HG1  VAL  20          HG12      VAL  20   4.824   4.864   4.506
  157   3HG1  VAL  20          HG13      VAL  20   4.849   6.238   3.396
  158   1HG2  VAL  20          HG21      VAL  20   6.478   6.334   1.545
  159   2HG2  VAL  20          HG22      VAL  20   7.383   4.899   1.046
  160   3HG2  VAL  20          HG23      VAL  20   5.632   4.960   0.804
  161    H    GLU  21           HN       GLU  21   9.539   5.446   4.971
  162    HA   GLU  21           HA       GLU  21   9.046   8.312   4.531
  163   1HB   GLU  21          HB2       GLU  21   7.852   7.584   6.644
  164   2HB   GLU  21          HB3       GLU  21   9.439   7.362   7.389
  165   1HG   GLU  21          HG2       GLU  21   9.932   9.708   7.204
  166   2HG   GLU  21          HG3       GLU  21   8.665   9.970   5.987
  167    H    LYS  22           HN       LYS  22  10.699   8.146   3.181
  168    HA   LYS  22           HA       LYS  22  12.752   8.874   2.601
  169   1HB   LYS  22          HB2       LYS  22  13.419   9.003   5.563
  170   2HB   LYS  22          HB3       LYS  22  14.229   9.849   4.247
  171   1HG   LYS  22          HG2       LYS  22  12.269  11.215   3.799
  172   2HG   LYS  22          HG3       LYS  22  11.282  10.281   4.933
  173   1HD   LYS  22          HD2       LYS  22  12.802  10.923   6.792
  174   2HD   LYS  22          HD3       LYS  22  13.663  12.007   5.675
  175   1HE   LYS  22          HE2       LYS  22  11.554  13.264   5.264
  176   2HE   LYS  22          HE3       LYS  22  10.653  12.128   6.283
  177   1HZ   LYS  22          HZ1       LYS  22  11.171  14.122   7.456
  178   2HZ   LYS  22          HZ2       LYS  22  11.928  12.846   8.159
  179   3HZ   LYS  22          HZ3       LYS  22  12.788  13.911   7.236
  180    H    GLY  23           HN       GLY  23  12.376   6.210   2.298
  181   1HA   GLY  23          HA1       GLY  23  13.684   4.421   1.669
  182   2HA   GLY  23          HA2       GLY  23  15.130   5.277   2.232
  183    H    GLY  24           HN       GLY  24  12.107   4.343   3.902
  184   1HA   GLY  24          HA1       GLY  24  13.551   3.338   6.234
  185   2HA   GLY  24          HA2       GLY  24  11.812   3.279   5.971
  186    H    LYS  25           HN       LYS  25  12.741   1.044   7.026
  187    HA   LYS  25           HA       LYS  25  14.196  -0.678   5.207
  188   1HB   LYS  25          HB2       LYS  25  12.757  -1.406   7.756
  189   2HB   LYS  25          HB3       LYS  25  13.952  -2.376   6.901
  190   1HG   LYS  25          HG3       LYS  25  15.653  -0.560   7.230
  191   2HG   LYS  25          HG2       LYS  25  14.488   0.317   8.241
  192   1HD   LYS  25          HD2       LYS  25  14.356  -1.629   9.779
  193   2HD   LYS  25          HD3       LYS  25  15.529  -2.502   8.767
  194   1HE   LYS  25          HE2       LYS  25  17.218  -0.702   9.183
  195   2HE   LYS  25          HE3       LYS  25  16.054   0.150  10.212
  196   1HZ   LYS  25          HZ1       LYS  25  17.161  -2.533  10.735
  197   2HZ   LYS  25          HZ2       LYS  25  17.594  -1.142  11.493
  198   3HZ   LYS  25          HZ3       LYS  25  16.079  -1.743  11.695
  199    H    HIS  26           HN       HIS  26  13.354  -1.846   3.631
  200    HA   HIS  26           HA       HIS  26  10.479  -2.144   3.227
  201   1HB   HIS  26          HB2       HIS  26  12.869  -3.316   1.748
  202   2HB   HIS  26          HB3       HIS  26  11.194  -3.331   1.200
  203    HD1  HIS  26           HD1      HIS  26  11.947   0.084   2.562
  204    HD2  HIS  26           HD2      HIS  26  12.843  -2.142  -0.884
  205    HE1  HIS  26           HE1      HIS  26  12.771   1.731   0.834
  206    H    LYS  27           HN       LYS  27  10.414  -3.182   5.475
  207    HA   LYS  27           HA       LYS  27  11.723  -5.647   5.991
  208   1HB   LYS  27          HB2       LYS  27  10.921  -4.156   7.755
  209   2HB   LYS  27          HB3       LYS  27   9.252  -4.416   7.252
  210   1HG   LYS  27          HG2       LYS  27   9.661  -6.932   7.746
  211   2HG   LYS  27          HG3       LYS  27  11.158  -6.422   8.540
  212   1HD   LYS  27          HD2       LYS  27   9.865  -5.031  10.109
  213   2HD   LYS  27          HD3       LYS  27   8.396  -5.290   9.149
  214   1HE   LYS  27          HE2       LYS  27   8.597  -7.780   9.613
  215   2HE   LYS  27          HE3       LYS  27   9.884  -7.404  10.775
  216   1HZ   LYS  27          HZ1       LYS  27   7.115  -6.389  10.833
  217   2HZ   LYS  27          HZ2       LYS  27   7.688  -7.606  11.785
  218   3HZ   LYS  27          HZ3       LYS  27   8.256  -6.069  11.975
  219    H    THR  28           HN       THR  28   8.164  -5.274   5.681
  220    HA   THR  28           HA       THR  28   8.093  -7.865   4.182
  221    HB   THR  28           HB       THR  28   5.709  -7.132   5.760
  222    HG1  THR  28           HG1      THR  28   6.546  -7.821   7.676
  223   1HG2  THR  28          HG21      THR  28   7.252  -9.726   5.454
  224   2HG2  THR  28          HG22      THR  28   5.642  -9.528   6.180
  225   3HG2  THR  28          HG23      THR  28   5.875  -9.217   4.450
  226    H    GLY  29           HN       GLY  29   7.335  -4.483   4.089
  227   1HA   GLY  29          HA1       GLY  29   6.377  -4.973   1.381
  228   2HA   GLY  29          HA2       GLY  29   5.353  -3.970   2.426
  229    HA   PRO  30           HA       PRO  30   9.428  -1.895   1.044
  230   1HB   PRO  30          HB2       PRO  30   9.191  -0.938  -1.446
  231   2HB   PRO  30          HB3       PRO  30   9.399  -2.680  -1.146
  232   1HG   PRO  30          HG2       PRO  30   6.749  -1.274  -1.622
  233   2HG   PRO  30          HG3       PRO  30   7.378  -2.733  -2.450
  234   1HD   PRO  30          HD2       PRO  30   5.696  -2.900  -0.309
  235   2HD   PRO  30          HD3       PRO  30   6.996  -4.080  -0.590
  236    H    ASN  31           HN       ASN  31   9.935   0.456   0.223
  237    HA   ASN  31           HA       ASN  31   8.081   2.370   1.505
  238   1HB   ASN  31          HB2       ASN  31  10.735   2.609   0.038
  239   2HB   ASN  31          HB3       ASN  31   9.690   4.007   0.250
  240   1HD2  ASN  31          HD21      ASN  31   9.727   1.507   2.729
  241   2HD2  ASN  31          HD22      ASN  31  10.385   2.586   3.956
  242    H    LEU  32           HN       LEU  32   6.198   2.651   0.488
  243    HA   LEU  32           HA       LEU  32   5.869   2.572  -2.396
  244   1HB   LEU  32          HB2       LEU  32   3.958   3.823  -0.408
  245   2HB   LEU  32          HB3       LEU  32   3.604   3.103  -1.959
  246    HG   LEU  32           HG       LEU  32   4.725   1.260   0.170
  247   1HD1  LEU  32          HD11      LEU  32   1.816   2.080   0.033
  248   2HD1  LEU  32          HD12      LEU  32   2.536   0.818   1.047
  249   3HD1  LEU  32          HD13      LEU  32   2.953   2.515   1.326
  250   1HD2  LEU  32          HD21      LEU  32   3.338  -0.356  -1.022
  251   2HD2  LEU  32          HD22      LEU  32   2.669   0.922  -2.046
  252   3HD2  LEU  32          HD23      LEU  32   4.389   0.488  -2.175
  253    H    HIS  33           HN       HIS  33   7.975   4.345  -1.744
  254    HA   HIS  33           HA       HIS  33   7.365   7.014  -1.271
  255   1HB   HIS  33          HB2       HIS  33   9.568   5.932  -1.112
  256   2HB   HIS  33          HB3       HIS  33   9.667   5.810  -2.863
  257    HD1  HIS  33           HD1      HIS  33   9.566   7.734  -3.540
  258    HD2  HIS  33           HD2      HIS  33  10.407   7.963   0.046
  259    HE1  HIS  33           HE1      HIS  33  11.011  10.467  -3.248
  260    H    GLY  34           HN       GLY  34   5.430   7.328  -2.601
  261   1HA   GLY  34          HA1       GLY  34   4.950   9.212  -4.172
  262   2HA   GLY  34          HA2       GLY  34   6.164   8.552  -5.247
  263    H    LEU  35           HN       LEU  35   3.038   7.745  -3.676
  264    HA   LEU  35           HA       LEU  35   2.589   5.480  -5.467
  265   1HB   LEU  35          HB2       LEU  35   1.053   6.829  -3.240
  266   2HB   LEU  35          HB3       LEU  35   0.203   5.759  -4.352
  267    HG   LEU  35           HG       LEU  35   2.703   4.882  -2.906
  268   1HD1  LEU  35          HD11      LEU  35  -0.220   4.579  -2.107
  269   2HD1  LEU  35          HD12      LEU  35   1.133   3.723  -1.340
  270   3HD1  LEU  35          HD13      LEU  35   1.037   5.485  -1.256
  271   1HD2  LEU  35          HD21      LEU  35   2.245   3.430  -4.803
  272   2HD2  LEU  35          HD22      LEU  35   0.506   3.448  -4.475
  273   3HD2  LEU  35          HD23      LEU  35   1.612   2.592  -3.390
  274    H    PHE  36           HN       PHE  36   1.184   8.765  -5.170
  275    HA   PHE  36           HA       PHE  36  -0.955   8.222  -6.897
  276   1HB   PHE  36          HB2       PHE  36   0.271  10.920  -6.277
  277   2HB   PHE  36          HB3       PHE  36  -1.331  10.632  -6.940
  278    HD1  PHE  36           HD1      PHE  36  -3.118   9.528  -5.526
  279    HD2  PHE  36           HD2      PHE  36   0.730  10.569  -3.926
  280    HE1  PHE  36           HE1      PHE  36  -3.825   8.703  -3.288
  281    HE2  PHE  36           HE2      PHE  36  -0.013   9.854  -1.675
  282    HZ   PHE  36           HZ       PHE  36  -2.216   8.710  -1.387
  283    H    GLY  37           HN       GLY  37  -0.595   7.393  -8.869
  284   1HA   GLY  37          HA1       GLY  37  -0.447   8.026 -11.227
  285   2HA   GLY  37          HA2       GLY  37   1.035   8.919 -10.878
  286    H    ARG  38           HN       ARG  38   1.427   6.344  -8.914
  287    HA   ARG  38           HA       ARG  38   3.422   5.262 -10.660
  288   1HB   ARG  38          HB2       ARG  38   3.522   5.600  -8.119
  289   2HB   ARG  38          HB3       ARG  38   2.545   4.138  -7.972
  290   1HG   ARG  38          HG2       ARG  38   4.236   2.839  -9.167
  291   2HG   ARG  38          HG3       ARG  38   5.195   4.290  -9.488
  292   1HD   ARG  38          HD3       ARG  38   4.547   3.359  -6.668
  293   2HD   ARG  38          HD2       ARG  38   5.888   2.657  -7.558
  294    HE   ARG  38           HE       ARG  38   5.646   5.425  -6.525
  295   1HH1  ARG  38          HH22      ARG  38   7.357   3.514  -8.945
  296   2HH1  ARG  38          HH21      ARG  38   8.911   4.222  -8.642
  297   1HH2  ARG  38          HH12      ARG  38   7.795   6.326  -5.997
  298   2HH2  ARG  38          HH11      ARG  38   9.085   6.001  -7.101
  299    H    LYS  39           HN       LYS  39   3.551   3.232 -11.605
  300    HA   LYS  39           HA       LYS  39   1.062   1.649 -11.845
  301   1HB   LYS  39          HB2       LYS  39   2.219   2.369 -13.873
  302   2HB   LYS  39          HB3       LYS  39   3.685   1.502 -13.397
  303   1HG   LYS  39          HG2       LYS  39   2.674  -0.621 -13.628
  304   2HG   LYS  39          HG3       LYS  39   1.042   0.031 -13.591
  305   1HD   LYS  39          HD2       LYS  39   3.063   0.365 -15.851
  306   2HD   LYS  39          HD3       LYS  39   1.684  -0.732 -15.846
  307   1HE   LYS  39          HE2       LYS  39   1.623   2.320 -15.977
  308   2HE   LYS  39          HE3       LYS  39   1.103   1.161 -17.193
  309   1HZ   LYS  39          HZ1       LYS  39  -0.773   2.074 -16.025
  310   2HZ   LYS  39          HZ2       LYS  39  -0.662   0.461 -15.680
  311   3HZ   LYS  39          HZ3       LYS  39  -0.226   1.552 -14.568
  312    H    THR  40           HN       THR  40   1.145  -0.680 -11.368
  313    HA   THR  40           HA       THR  40   1.957  -0.808  -8.781
  314    HB   THR  40           HB       THR  40   1.304  -3.222  -8.845
  315    HG1  THR  40           HG1      THR  40   1.101  -4.199 -10.674
  316   1HG2  THR  40          HG21      THR  40  -0.452  -1.603  -8.538
  317   2HG2  THR  40          HG22      THR  40  -1.021  -2.876  -9.615
  318   3HG2  THR  40          HG23      THR  40  -0.559  -1.287 -10.280
  319    H    GLY  41           HN       GLY  41   3.327  -2.119  -7.546
  320   1HA   GLY  41          HA1       GLY  41   5.066  -3.609  -7.123
  321   2HA   GLY  41          HA2       GLY  41   5.429  -3.729  -8.837
  322    H    GLN  42           HN       GLN  42   7.109  -2.619  -9.631
  323    HA   GLN  42           HA       GLN  42   9.085  -1.476  -9.678
  324   1HB   GLN  42          HB2       GLN  42   7.304   0.703  -8.530
  325   2HB   GLN  42          HB3       GLN  42   8.803   0.931  -9.452
  326   1HG   GLN  42          HG2       GLN  42   7.750  -0.205 -11.404
  327   2HG   GLN  42          HG3       GLN  42   6.240  -0.351 -10.485
  328   1HE2  GLN  42          HE21      GLN  42   6.125   0.971 -12.889
  329   2HE2  GLN  42          HE22      GLN  42   6.021   2.706 -12.644
  330    H    ALA  43           HN       ALA  43   9.551  -3.064  -7.634
  331    HA   ALA  43           HA       ALA  43  10.568  -1.337  -5.390
  332   1HB   ALA  43          HB1       ALA  43   9.273  -4.065  -5.257
  333   2HB   ALA  43          HB2       ALA  43  10.028  -3.178  -3.907
  334   3HB   ALA  43          HB3       ALA  43   8.581  -2.527  -4.705
  335    HA   PRO  44           HA       PRO  44  13.918  -3.767  -7.608
  336   1HB   PRO  44          HB2       PRO  44  15.926  -1.866  -7.336
  337   2HB   PRO  44          HB3       PRO  44  14.782  -1.964  -8.702
  338   1HG   PRO  44          HG2       PRO  44  14.580  -0.210  -6.246
  339   2HG   PRO  44          HG3       PRO  44  14.339   0.256  -7.954
  340   1HD   PRO  44          HD2       PRO  44  12.237  -0.268  -6.359
  341   2HD   PRO  44          HD3       PRO  44  12.230  -0.862  -8.042
  342    H    GLY  45           HN       GLY  45  14.135  -1.804  -4.604
  343   1HA   GLY  45          HA1       GLY  45  16.187  -3.488  -3.422
  344   2HA   GLY  45          HA2       GLY  45  15.268  -2.197  -2.645
  345    H    PHE  46           HN       PHE  46  12.981  -4.328  -4.018
  346    HA   PHE  46           HA       PHE  46  12.927  -6.374  -1.982
  347   1HB   PHE  46          HB2       PHE  46  12.281  -4.444  -0.592
  348   2HB   PHE  46          HB3       PHE  46  11.031  -4.016  -1.754
  349    HD1  PHE  46           HD1      PHE  46  12.058  -6.349   0.939
  350    HD2  PHE  46           HD2      PHE  46   8.861  -5.201  -1.727
  351    HE1  PHE  46           HE1      PHE  46  10.466  -7.712   2.245
  352    HE2  PHE  46           HE2      PHE  46   7.309  -6.671  -0.494
  353    HZ   PHE  46           HZ       PHE  46   8.093  -7.923   1.491
  354    H    THR  47           HN       THR  47  12.958  -7.209  -4.310
  355    HA   THR  47           HA       THR  47  10.986  -6.530  -6.091
  356    HB   THR  47           HB       THR  47  12.553  -9.109  -5.904
  357    HG1  THR  47           HG1      THR  47  12.788  -6.549  -7.133
  358   1HG2  THR  47          HG21      THR  47  10.614  -9.418  -7.446
  359   2HG2  THR  47          HG22      THR  47  11.039  -7.891  -8.258
  360   3HG2  THR  47          HG23      THR  47  12.140  -9.278  -8.336
  361    H    TYR  48           HN       TYR  48   9.012  -6.702  -6.174
  362    HA   TYR  48           HA       TYR  48   7.127  -7.715  -4.550
  363   1HB   TYR  48          HB2       TYR  48   5.709  -7.546  -6.805
  364   2HB   TYR  48          HB3       TYR  48   6.408  -6.151  -6.020
  365    HD1  TYR  48           HD1      TYR  48   7.579  -4.644  -7.289
  366    HD2  TYR  48           HD2      TYR  48   7.653  -8.773  -8.484
  367    HE1  TYR  48           HE1      TYR  48   9.005  -4.070  -9.278
  368    HE2  TYR  48           HE2      TYR  48   9.237  -8.227 -10.276
  369    HH   TYR  48           HH       TYR  48  10.344  -6.556 -11.418
  370    H    THR  49           HN       THR  49   5.309  -9.199  -5.172
  371    HA   THR  49           HA       THR  49   6.112 -11.949  -5.499
  372    HB   THR  49           HB       THR  49   3.386 -10.548  -5.510
  373    HG1  THR  49           HG1      THR  49   4.478 -10.078  -3.634
  374   1HG2  THR  49          HG21      THR  49   4.205 -13.419  -4.942
  375   2HG2  THR  49          HG22      THR  49   2.626 -12.717  -4.513
  376   3HG2  THR  49          HG23      THR  49   3.089 -12.850  -6.212
  377    H    ASP  50           HN       ASP  50   5.583  -9.447  -7.719
  378    HA   ASP  50           HA       ASP  50   5.640  -9.297  -9.885
  379   1HB   ASP  50          HB2       ASP  50   6.948 -11.357 -10.165
  380   2HB   ASP  50          HB3       ASP  50   5.436 -12.270 -10.317
  381    H    ALA  51           HN       ALA  51   3.283 -11.533  -8.477
  382    HA   ALA  51           HA       ALA  51   1.065 -11.032  -9.965
  383   1HB   ALA  51          HB1       ALA  51  -0.274 -11.275  -7.894
  384   2HB   ALA  51          HB2       ALA  51   1.070 -12.431  -7.935
  385   3HB   ALA  51          HB3       ALA  51   1.177 -10.979  -6.915
  386    H    ASN  52           HN       ASN  52   2.165  -8.822  -7.359
  387    HA   ASN  52           HA       ASN  52   0.158  -6.870  -7.724
  388   1HB   ASN  52          HB2       ASN  52   2.897  -6.948  -6.420
  389   2HB   ASN  52          HB3       ASN  52   2.088  -5.405  -6.582
  390   1HD2  ASN  52          HD21      ASN  52   0.655  -4.802  -5.070
  391   2HD2  ASN  52          HD22      ASN  52  -0.005  -5.833  -3.794
  392    H    LYS  53           HN       LYS  53   3.464  -5.996  -8.375
  393    HA   LYS  53           HA       LYS  53   4.018  -4.693 -10.657
  394   1HB   LYS  53          HB2       LYS  53   5.632  -5.863  -9.699
  395   2HB   LYS  53          HB3       LYS  53   4.680  -7.321  -9.491
  396   1HG   LYS  53          HG2       LYS  53   6.492  -7.669 -11.044
  397   2HG   LYS  53          HG3       LYS  53   4.903  -7.905 -11.760
  398   1HD   LYS  53          HD2       LYS  53   5.640  -5.155 -12.222
  399   2HD   LYS  53          HD3       LYS  53   7.094  -6.113 -12.536
  400   1HE   LYS  53          HE2       LYS  53   4.309  -6.735 -13.610
  401   2HE   LYS  53          HE3       LYS  53   5.502  -5.829 -14.452
  402   1HZ   LYS  53          HZ1       LYS  53   6.103  -8.566 -13.352
  403   2HZ   LYS  53          HZ2       LYS  53   5.102  -8.495 -14.594
  404   3HZ   LYS  53          HZ3       LYS  53   6.667  -7.943 -14.768
  405    H    ASN  54           HN       ASN  54   2.252  -7.837 -11.075
  406    HA   ASN  54           HA       ASN  54   2.206  -7.297 -13.939
  407   1HB   ASN  54          HB2       ASN  54   1.044  -9.471 -12.176
  408   2HB   ASN  54          HB3       ASN  54   0.642  -9.352 -13.880
  409   1HD2  ASN  54          HD21      ASN  54   2.076 -11.547 -12.585
  410   2HD2  ASN  54          HD22      ASN  54   3.724 -11.529 -13.200
  411    H    LYS  55           HN       LYS  55  -0.158  -6.787 -11.380
  412    HA   LYS  55           HA       LYS  55  -2.377  -6.605 -13.111
  413   1HB   LYS  55          HB2       LYS  55  -1.878  -5.998 -10.354
  414   2HB   LYS  55          HB3       LYS  55  -2.687  -4.599 -11.034
  415   1HG   LYS  55          HG2       LYS  55  -3.685  -7.478 -11.104
  416   2HG   LYS  55          HG3       LYS  55  -4.302  -6.147 -10.120
  417   1HD   LYS  55          HD2       LYS  55  -4.886  -4.920 -12.271
  418   2HD   LYS  55          HD3       LYS  55  -4.534  -6.421 -13.143
  419   1HE   LYS  55          HE2       LYS  55  -6.196  -7.603 -11.621
  420   2HE   LYS  55          HE3       LYS  55  -6.620  -6.020 -10.949
  421   1HZ   LYS  55          HZ1       LYS  55  -7.308  -5.337 -13.142
  422   2HZ   LYS  55          HZ2       LYS  55  -6.924  -6.813 -13.766
  423   3HZ   LYS  55          HZ3       LYS  55  -8.128  -6.676 -12.654
  424    H    GLY  56           HN       GLY  56   0.077  -4.154 -12.316
  425   1HA   GLY  56          HA1       GLY  56   0.753  -2.323 -13.413
  426   2HA   GLY  56          HA2       GLY  56   0.116  -3.114 -14.869
  427    H    ILE  57           HN       ILE  57  -1.770  -1.955 -12.070
  428    HA   ILE  57           HA       ILE  57  -3.395  -0.305 -13.826
  429    HB   ILE  57           HB       ILE  57  -4.794   0.104 -11.924
  430   1HG1  ILE  57          HG12      ILE  57  -2.899  -1.571 -10.276
  431   2HG1  ILE  57          HG13      ILE  57  -2.862   0.193 -10.248
  432   1HG2  ILE  57          HG21      ILE  57  -3.989  -2.815 -12.050
  433   2HG2  ILE  57          HG22      ILE  57  -5.579  -2.157 -11.620
  434   3HG2  ILE  57          HG23      ILE  57  -4.975  -1.990 -13.271
  435   1HD1  ILE  57          HD11      ILE  57  -5.250   0.228  -9.552
  436   2HD1  ILE  57          HD12      ILE  57  -5.240  -1.551  -9.485
  437   3HD1  ILE  57          HD13      ILE  57  -4.199  -0.619  -8.401
  438    H    THR  58           HN       THR  58  -3.875   1.844 -11.800
  439    HA   THR  58           HA       THR  58  -1.275   3.232 -11.746
  440    HB   THR  58           HB       THR  58  -3.866   4.550 -12.639
  441    HG1  THR  58           HG1      THR  58  -3.222   3.230 -14.267
  442   1HG2  THR  58          HG21      THR  58  -2.343   6.401 -13.264
  443   2HG2  THR  58          HG22      THR  58  -2.197   6.045 -11.531
  444   3HG2  THR  58          HG23      THR  58  -0.951   5.477 -12.666
  445    H    TRP  59           HN       TRP  59  -0.946   3.514  -9.601
  446    HA   TRP  59           HA       TRP  59  -3.138   3.334  -7.715
  447   1HB   TRP  59          HB2       TRP  59  -0.205   3.978  -7.461
  448   2HB   TRP  59          HB3       TRP  59  -1.292   4.059  -6.092
  449    HD1  TRP  59           HD1      TRP  59   1.093   1.845  -7.407
  450    HE1  TRP  59           HE1      TRP  59   0.775  -0.576  -6.779
  451    HE3  TRP  59           HE3      TRP  59  -3.860   2.044  -6.025
  452    HZ2  TRP  59           HZ2      TRP  59  -1.448  -2.307  -6.050
  453    HZ3  TRP  59           HZ3      TRP  59  -5.105  -0.076  -5.637
  454    HH2  TRP  59           HH2      TRP  59  -3.895  -2.240  -5.666
  455    H    LYS  60           HN       LYS  60  -4.453   4.897  -7.135
  456    HA   LYS  60           HA       LYS  60  -3.500   7.598  -6.749
  457   1HB   LYS  60          HB2       LYS  60  -5.505   8.578  -7.851
  458   2HB   LYS  60          HB3       LYS  60  -4.366   7.876  -9.002
  459   1HG   LYS  60          HG2       LYS  60  -5.719   5.901  -9.311
  460   2HG   LYS  60          HG3       LYS  60  -6.815   6.355  -8.006
  461   1HD   LYS  60          HD2       LYS  60  -6.474   7.825 -10.664
  462   2HD   LYS  60          HD3       LYS  60  -7.809   6.762 -10.181
  463   1HE   LYS  60          HE2       LYS  60  -8.064   8.417  -8.147
  464   2HE   LYS  60          HE3       LYS  60  -7.160   9.559  -9.152
  465   1HZ   LYS  60          HZ1       LYS  60  -8.968   9.445 -10.759
  466   2HZ   LYS  60          HZ2       LYS  60  -9.654   8.169  -9.911
  467   3HZ   LYS  60          HZ3       LYS  60  -9.641   9.572  -9.222
  468    H    GLU  61           HN       GLU  61  -5.493   8.724  -5.574
  469    HA   GLU  61           HA       GLU  61  -5.869   7.482  -3.180
  470   1HB   GLU  61          HB2       GLU  61  -7.724   9.068  -2.807
  471   2HB   GLU  61          HB3       GLU  61  -6.149   9.714  -3.285
  472   1HG   GLU  61          HG2       GLU  61  -7.215   9.737  -5.735
  473   2HG   GLU  61          HG3       GLU  61  -8.699   9.538  -4.795
  474    H    GLU  62           HN       GLU  62  -8.379   7.418  -5.726
  475    HA   GLU  62           HA       GLU  62 -10.190   5.690  -4.514
  476   1HB   GLU  62          HB2       GLU  62  -9.394   5.959  -7.383
  477   2HB   GLU  62          HB3       GLU  62 -10.842   5.094  -6.871
  478   1HG   GLU  62          HG2       GLU  62 -11.997   7.023  -6.358
  479   2HG   GLU  62          HG3       GLU  62 -10.562   7.906  -5.835
  480    H    THR  63           HN       THR  63  -7.916   4.457  -7.061
  481    HA   THR  63           HA       THR  63  -8.226   1.778  -6.626
  482    HB   THR  63           HB       THR  63  -5.878   1.588  -7.573
  483    HG1  THR  63           HG1      THR  63  -5.203   3.581  -8.567
  484   1HG2  THR  63          HG21      THR  63  -6.649   2.375  -9.795
  485   2HG2  THR  63          HG22      THR  63  -7.933   1.499  -8.952
  486   3HG2  THR  63          HG23      THR  63  -7.972   3.271  -9.029
  487    H    LEU  64           HN       LEU  64  -5.977   3.944  -4.807
  488    HA   LEU  64           HA       LEU  64  -4.912   1.877  -3.170
  489   1HB   LEU  64          HB2       LEU  64  -5.299   4.857  -2.766
  490   2HB   LEU  64          HB3       LEU  64  -4.450   3.835  -1.611
  491    HG   LEU  64           HG       LEU  64  -3.580   3.992  -4.513
  492   1HD1  LEU  64          HD11      LEU  64  -1.955   5.648  -3.860
  493   2HD1  LEU  64          HD12      LEU  64  -3.571   6.252  -3.496
  494   3HD1  LEU  64          HD13      LEU  64  -2.549   5.637  -2.186
  495   1HD2  LEU  64          HD21      LEU  64  -2.746   2.039  -3.246
  496   2HD2  LEU  64          HD22      LEU  64  -1.459   3.187  -3.574
  497   3HD2  LEU  64          HD23      LEU  64  -2.181   3.118  -1.952
  498    H    MET  65           HN       MET  65  -7.659   4.180  -2.332
  499    HA   MET  65           HA       MET  65  -8.207   2.889   0.112
  500   1HB   MET  65          HB2       MET  65 -10.315   4.007   0.073
  501   2HB   MET  65          HB3       MET  65  -9.007   5.113  -0.380
  502   1HG   MET  65          HG2       MET  65  -9.699   5.075  -2.581
  503   2HG   MET  65          HG3       MET  65 -10.811   3.721  -2.388
  504   1HE   MET  65          HE1       MET  65 -11.644   7.880  -0.533
  505   2HE   MET  65          HE2       MET  65 -10.685   6.631   0.287
  506   3HE   MET  65          HE3       MET  65 -10.060   7.407  -1.193
  507    H    GLU  66           HN       GLU  66  -9.111   2.086  -3.146
  508    HA   GLU  66           HA       GLU  66 -11.070   0.084  -2.458
  509   1HB   GLU  66          HB2       GLU  66  -9.510   0.914  -4.934
  510   2HB   GLU  66          HB3       GLU  66 -10.493  -0.529  -4.932
  511   1HG   GLU  66          HG2       GLU  66 -11.261   2.410  -4.680
  512   2HG   GLU  66          HG3       GLU  66 -11.932   1.198  -5.761
  513    H    TYR  67           HN       TYR  67  -7.713  -0.350  -3.668
  514    HA   TYR  67           HA       TYR  67  -7.559  -3.122  -3.174
  515   1HB   TYR  67          HB2       TYR  67  -5.898  -1.881  -4.435
  516   2HB   TYR  67          HB3       TYR  67  -5.479  -0.871  -3.055
  517    HD1  TYR  67           HD1      TYR  67  -3.684  -1.508  -1.574
  518    HD2  TYR  67           HD2      TYR  67  -5.206  -4.277  -4.467
  519    HE1  TYR  67           HE1      TYR  67  -1.742  -3.000  -1.196
  520    HE2  TYR  67           HE2      TYR  67  -3.380  -5.863  -3.947
  521    HH   TYR  67           HH       TYR  67  -1.596  -6.273  -2.437
  522    H    LEU  68           HN       LEU  68  -6.940  -0.363  -0.935
  523    HA   LEU  68           HA       LEU  68  -6.053  -2.043   1.229
  524   1HB   LEU  68          HB2       LEU  68  -7.004   0.793   1.132
  525   2HB   LEU  68          HB3       LEU  68  -6.342   0.005   2.588
  526    HG   LEU  68           HG       LEU  68  -4.813   0.213  -0.050
  527   1HD1  LEU  68          HD11      LEU  68  -3.611   2.042   1.062
  528   2HD1  LEU  68          HD12      LEU  68  -5.341   2.415   0.903
  529   3HD1  LEU  68          HD13      LEU  68  -4.695   1.883   2.474
  530   1HD2  LEU  68          HD21      LEU  68  -3.953  -1.611   1.379
  531   2HD2  LEU  68          HD22      LEU  68  -2.874  -0.228   1.415
  532   3HD2  LEU  68          HD23      LEU  68  -3.952  -0.526   2.790
  533    H    GLU  69           HN       GLU  69  -9.260  -1.441   0.018
  534    HA   GLU  69           HA       GLU  69 -10.577  -2.452   2.445
  535   1HB   GLU  69          HB2       GLU  69 -11.470  -1.030   0.251
  536   2HB   GLU  69          HB3       GLU  69 -11.877  -2.625  -0.275
  537   1HG   GLU  69          HG2       GLU  69 -12.709  -1.518   2.423
  538   2HG   GLU  69          HG3       GLU  69 -13.715  -1.504   0.957
  539    H    ASN  70           HN       ASN  70  -9.910  -3.445  -0.915
  540    HA   ASN  70           HA       ASN  70 -10.179  -6.310  -0.104
  541   1HB   ASN  70          HB2       ASN  70 -12.063  -4.691  -1.336
  542   2HB   ASN  70          HB3       ASN  70 -11.336  -5.465  -2.712
  543   1HD2  ASN  70          HD21      ASN  70 -13.214  -5.820   0.222
  544   2HD2  ASN  70          HD22      ASN  70 -13.649  -7.520   0.014
  545    HA   PRO  71           HA       PRO  71  -6.458  -5.398  -2.609
  546   1HB   PRO  71          HB2       PRO  71  -4.550  -6.891  -1.305
  547   2HB   PRO  71          HB3       PRO  71  -5.107  -5.293  -0.762
  548   1HG   PRO  71          HG2       PRO  71  -6.065  -7.982   0.230
  549   2HG   PRO  71          HG3       PRO  71  -5.564  -6.572   1.200
  550   1HD   PRO  71          HD2       PRO  71  -8.183  -7.100   0.667
  551   2HD   PRO  71          HD3       PRO  71  -7.579  -5.426   0.733
  552    H    LYS  72           HN       LYS  72  -7.698  -8.540  -1.565
  553    HA   LYS  72           HA       LYS  72  -6.363 -10.068  -3.542
  554   1HB   LYS  72          HB2       LYS  72  -7.416 -10.848  -1.366
  555   2HB   LYS  72          HB3       LYS  72  -8.978 -10.842  -2.211
  556   1HG   LYS  72          HG2       LYS  72  -8.069 -12.444  -3.878
  557   2HG   LYS  72          HG3       LYS  72  -6.465 -12.322  -3.125
  558   1HD   LYS  72          HD2       LYS  72  -7.387 -13.232  -1.007
  559   2HD   LYS  72          HD3       LYS  72  -8.965 -13.447  -1.801
  560   1HE   LYS  72          HE2       LYS  72  -7.915 -14.968  -3.475
  561   2HE   LYS  72          HE3       LYS  72  -6.325 -14.704  -2.741
  562   1HZ   LYS  72          HZ1       LYS  72  -7.133 -15.739  -0.738
  563   2HZ   LYS  72          HZ2       LYS  72  -8.618 -15.990  -1.408
  564   3HZ   LYS  72          HZ3       LYS  72  -7.295 -16.754  -2.019
  565    H    LYS  73           HN       LYS  73  -9.452  -8.279  -3.644
  566    HA   LYS  73           HA       LYS  73 -10.434  -9.441  -6.097
  567   1HB   LYS  73          HB2       LYS  73 -10.873  -6.818  -4.645
  568   2HB   LYS  73          HB3       LYS  73 -11.514  -7.032  -6.268
  569   1HG   LYS  73          HG2       LYS  73 -12.105  -9.061  -4.090
  570   2HG   LYS  73          HG3       LYS  73 -13.037  -7.562  -4.261
  571   1HD   LYS  73          HD2       LYS  73 -13.570  -8.131  -6.611
  572   2HD   LYS  73          HD3       LYS  73 -12.712  -9.677  -6.436
  573   1HE   LYS  73          HE2       LYS  73 -14.270 -10.346  -4.619
  574   2HE   LYS  73          HE3       LYS  73 -15.094  -8.783  -4.728
  575   1HZ   LYS  73          HZ1       LYS  73 -14.999 -10.802  -6.871
  576   2HZ   LYS  73          HZ2       LYS  73 -16.283 -10.483  -5.895
  577   3HZ   LYS  73          HZ3       LYS  73 -15.763  -9.344  -6.958
  578    H    TYR  74           HN       TYR  74  -8.432  -6.541  -5.385
  579    HA   TYR  74           HA       TYR  74  -7.913  -5.830  -8.094
  580   1HB   TYR  74          HB2       TYR  74  -6.642  -5.409  -5.422
  581   2HB   TYR  74          HB3       TYR  74  -5.726  -4.937  -6.858
  582    HD1  TYR  74           HD1      TYR  74  -9.252  -4.543  -5.501
  583    HD2  TYR  74           HD2      TYR  74  -5.885  -2.692  -7.464
  584    HE1  TYR  74           HE1      TYR  74 -10.661  -2.630  -6.112
  585    HE2  TYR  74           HE2      TYR  74  -7.271  -0.707  -7.956
  586    HH   TYR  74           HH       TYR  74  -9.430   0.159  -7.996
  587    H    ILE  75           HN       ILE  75  -5.808  -7.658  -5.806
  588    HA   ILE  75           HA       ILE  75  -4.391  -8.874  -8.146
  589    HB   ILE  75           HB       ILE  75  -3.244  -7.604  -5.653
  590   1HG1  ILE  75          HG12      ILE  75  -2.383  -7.020  -8.461
  591   2HG1  ILE  75          HG13      ILE  75  -3.899  -6.302  -7.922
  592   1HG2  ILE  75          HG21      ILE  75  -2.038  -9.739  -6.179
  593   2HG2  ILE  75          HG22      ILE  75  -1.828  -9.193  -7.847
  594   3HG2  ILE  75          HG23      ILE  75  -1.051  -8.329  -6.504
  595   1HD1  ILE  75          HD11      ILE  75  -1.371  -5.942  -6.334
  596   2HD1  ILE  75          HD12      ILE  75  -1.901  -4.834  -7.614
  597   3HD1  ILE  75          HD13      ILE  75  -2.911  -5.083  -6.181
  598    HA   PRO  76           HA       PRO  76  -6.215 -12.149  -5.599
  599   1HB   PRO  76          HB2       PRO  76  -5.598 -14.346  -7.172
  600   2HB   PRO  76          HB3       PRO  76  -6.977 -13.242  -7.434
  601   1HG   PRO  76          HG2       PRO  76  -4.269 -13.162  -8.770
  602   2HG   PRO  76          HG3       PRO  76  -5.878 -13.021  -9.534
  603   1HD   PRO  76          HD2       PRO  76  -4.386 -10.852  -8.986
  604   2HD   PRO  76          HD3       PRO  76  -6.155 -10.790  -8.714
  605    H    GLY  77           HN       GLY  77  -2.935 -12.355  -6.900
  606   1HA   GLY  77          HA1       GLY  77  -2.003 -14.061  -4.662
  607   2HA   GLY  77          HA2       GLY  77  -1.084 -13.536  -6.073
  608    H    THR  78           HN       THR  78  -2.929 -11.144  -4.178
  609    HA   THR  78           HA       THR  78  -0.648  -9.559  -3.658
  610    HB   THR  78           HB       THR  78  -2.909  -8.697  -3.716
  611    HG1  THR  78           HG1      THR  78  -1.843  -8.256  -1.156
  612   1HG2  THR  78          HG21      THR  78  -4.559  -9.011  -2.057
  613   2HG2  THR  78          HG22      THR  78  -4.024 -10.641  -2.443
  614   3HG2  THR  78          HG23      THR  78  -3.473  -9.848  -0.954
  615    H    LYS  79           HN       LYS  79   1.117 -10.124  -2.351
  616    HA   LYS  79           HA       LYS  79   0.840 -12.215  -0.404
  617   1HB   LYS  79          HB2       LYS  79   2.555 -11.820  -2.147
  618   2HB   LYS  79          HB3       LYS  79   3.176 -10.441  -1.257
  619   1HG   LYS  79          HG2       LYS  79   3.004 -13.045   0.217
  620   2HG   LYS  79          HG3       LYS  79   4.050 -13.083  -1.194
  621   1HD   LYS  79          HD2       LYS  79   4.220 -11.171   1.132
  622   2HD   LYS  79          HD3       LYS  79   5.289 -12.553   0.859
  623   1HE   LYS  79          HE2       LYS  79   5.261  -9.820  -0.373
  624   2HE   LYS  79          HE3       LYS  79   6.633 -10.737   0.201
  625   1HZ   LYS  79          HZ1       LYS  79   5.137 -11.429  -2.266
  626   2HZ   LYS  79          HZ2       LYS  79   6.170 -10.240  -2.228
  627   3HZ   LYS  79          HZ3       LYS  79   6.726 -11.787  -1.902
  628    H    MET  80           HN       MET  80  -0.840 -10.149   0.365
  629    HA   MET  80           HA       MET  80   0.511  -8.706   2.622
  630   1HB   MET  80          HB2       MET  80  -0.007  -7.158   0.885
  631   2HB   MET  80          HB3       MET  80  -1.670  -7.738   0.768
  632   1HG   MET  80          HG2       MET  80  -2.328  -6.710   2.744
  633   2HG   MET  80          HG3       MET  80  -0.725  -6.686   3.411
  634   1HE   MET  80          HE1       MET  80  -2.625  -5.332   0.186
  635   2HE   MET  80          HE2       MET  80  -3.432  -5.030   1.730
  636   3HE   MET  80          HE3       MET  80  -2.771  -3.688   0.820
  637    H    ILE  81           HN       ILE  81   0.045 -10.684   3.772
  638    HA   ILE  81           HA       ILE  81  -2.615 -11.618   4.177
  639    HB   ILE  81           HB       ILE  81  -0.812 -13.080   4.583
  640   1HG1  ILE  81          HG12      ILE  81  -1.295 -13.974   6.786
  641   2HG1  ILE  81          HG13      ILE  81  -2.050 -12.464   7.299
  642   1HG2  ILE  81          HG21      ILE  81   0.825 -12.902   6.357
  643   2HG2  ILE  81          HG22      ILE  81   0.990 -11.527   5.270
  644   3HG2  ILE  81          HG23      ILE  81   0.211 -11.324   6.851
  645   1HD1  ILE  81          HD11      ILE  81  -3.672 -14.254   6.653
  646   2HD1  ILE  81          HD12      ILE  81  -3.874 -12.789   5.684
  647   3HD1  ILE  81          HD13      ILE  81  -3.041 -14.206   4.995
  648    H    PHE  82           HN       PHE  82  -3.845  -9.761   4.435
  649    HA   PHE  82           HA       PHE  82  -3.723  -8.327   7.040
  650   1HB   PHE  82          HB2       PHE  82  -2.461  -7.312   5.074
  651   2HB   PHE  82          HB3       PHE  82  -3.989  -7.295   4.186
  652    HD1  PHE  82           HD1      PHE  82  -4.719  -5.085   3.943
  653    HD2  PHE  82           HD2      PHE  82  -2.775  -6.265   7.613
  654    HE1  PHE  82           HE1      PHE  82  -4.334  -2.732   4.505
  655    HE2  PHE  82           HE2      PHE  82  -2.561  -3.907   8.258
  656    HZ   PHE  82           HZ       PHE  82  -3.094  -2.144   6.594
  657    H    ALA  83           HN       ALA  83  -5.586  -7.143   7.516
  658    HA   ALA  83           HA       ALA  83  -7.903  -8.790   7.315
  659   1HB   ALA  83          HB1       ALA  83  -7.557  -5.957   8.372
  660   2HB   ALA  83          HB2       ALA  83  -8.896  -7.066   8.757
  661   3HB   ALA  83          HB3       ALA  83  -7.233  -7.453   9.282
  662    H    GLY  84           HN       GLY  84  -7.007  -5.687   5.814
  663   1HA   GLY  84          HA1       GLY  84  -8.064  -4.635   3.952
  664   2HA   GLY  84          HA2       GLY  84  -9.468  -5.706   4.138
  665    H    ILE  85           HN       ILE  85  -8.413  -2.549   4.746
  666    HA   ILE  85           HA       ILE  85  -9.533  -2.385   7.484
  667    HB   ILE  85           HB       ILE  85  -8.390  -0.104   5.859
  668   1HG1  ILE  85          HG12      ILE  85  -7.005  -1.933   7.875
  669   2HG1  ILE  85          HG13      ILE  85  -6.714  -1.952   6.130
  670   1HG2  ILE  85          HG21      ILE  85  -8.219   0.981   8.028
  671   2HG2  ILE  85          HG22      ILE  85  -9.875   0.441   7.841
  672   3HG2  ILE  85          HG23      ILE  85  -8.769  -0.492   8.855
  673   1HD1  ILE  85          HD11      ILE  85  -5.936   0.375   6.183
  674   2HD1  ILE  85          HD12      ILE  85  -6.135   0.417   7.949
  675   3HD1  ILE  85          HD13      ILE  85  -4.980  -0.704   7.224
  676    H    LYS  86           HN       LYS  86 -11.591  -3.131   6.633
  677    HA   LYS  86           HA       LYS  86 -13.350  -2.284   4.937
  678   1HB   LYS  86          HB2       LYS  86 -13.697  -3.879   6.823
  679   2HB   LYS  86          HB3       LYS  86 -14.100  -2.515   7.879
  680   1HG   LYS  86          HG2       LYS  86 -16.032  -1.970   6.398
  681   2HG   LYS  86          HG3       LYS  86 -15.559  -3.295   5.310
  682   1HD   LYS  86          HD2       LYS  86 -15.859  -4.929   7.133
  683   2HD   LYS  86          HD3       LYS  86 -16.277  -3.625   8.266
  684   1HE   LYS  86          HE2       LYS  86 -18.277  -3.064   6.902
  685   2HE   LYS  86          HE3       LYS  86 -17.847  -4.324   5.731
  686   1HZ   LYS  86          HZ1       LYS  86 -19.519  -5.069   7.266
  687   2HZ   LYS  86          HZ2       LYS  86 -18.151  -5.957   7.459
  688   3HZ   LYS  86          HZ3       LYS  86 -18.542  -4.794   8.559
  689    H    LYS  87           HN       LYS  87 -12.950  -0.344   7.945
  690    HA   LYS  87           HA       LYS  87 -14.793   1.721   7.368
  691   1HB   LYS  87          HB2       LYS  87 -12.207   1.655   8.977
  692   2HB   LYS  87          HB3       LYS  87 -13.255   3.059   8.854
  693   1HG   LYS  87          HG2       LYS  87 -15.081   1.129   9.627
  694   2HG   LYS  87          HG3       LYS  87 -13.588   0.602  10.444
  695   1HD   LYS  87          HD2       LYS  87 -13.275   2.972  11.248
  696   2HD   LYS  87          HD3       LYS  87 -14.855   3.383  10.553
  697   1HE   LYS  87          HE2       LYS  87 -15.940   1.726  12.066
  698   2HE   LYS  87          HE3       LYS  87 -14.347   1.276  12.712
  699   1HZ   LYS  87          HZ1       LYS  87 -15.562   3.950  12.930
  700   2HZ   LYS  87          HZ2       LYS  87 -15.470   2.835  14.137
  701   3HZ   LYS  87          HZ3       LYS  87 -14.094   3.499  13.528
  702    H    LYS  88           HN       LYS  88 -14.722   2.444   5.281
  703    HA   LYS  88           HA       LYS  88 -12.758   3.532   3.742
  704   1HB   LYS  88          HB2       LYS  88 -15.534   4.473   4.433
  705   2HB   LYS  88          HB3       LYS  88 -14.528   5.499   3.413
  706   1HG   LYS  88          HG2       LYS  88 -14.896   2.572   2.704
  707   2HG   LYS  88          HG3       LYS  88 -16.139   3.768   2.309
  708   1HD   LYS  88          HD2       LYS  88 -14.534   5.136   1.066
  709   2HD   LYS  88          HD3       LYS  88 -13.222   4.007   1.441
  710   1HE   LYS  88          HE2       LYS  88 -14.377   2.215   0.173
  711   2HE   LYS  88          HE3       LYS  88 -15.744   3.279  -0.152
  712   1HZ   LYS  88          HZ1       LYS  88 -13.054   4.064  -1.025
  713   2HZ   LYS  88          HZ2       LYS  88 -13.883   2.983  -1.903
  714   3HZ   LYS  88          HZ3       LYS  88 -14.508   4.478  -1.654
  715    H    THR  89           HN       THR  89 -14.143   5.173   6.643
  716    HA   THR  89           HA       THR  89 -12.739   7.568   6.479
  717    HB   THR  89           HB       THR  89 -13.124   7.600   8.992
  718    HG1  THR  89           HG1      THR  89 -13.029   5.405   9.424
  719   1HG2  THR  89          HG21      THR  89 -15.566   7.670   8.795
  720   2HG2  THR  89          HG22      THR  89 -14.818   8.419   7.371
  721   3HG2  THR  89          HG23      THR  89 -15.507   6.787   7.258
  722    H    GLU  90           HN       GLU  90 -11.603   4.453   7.919
  723    HA   GLU  90           HA       GLU  90  -9.213   5.608   9.135
  724   1HB   GLU  90          HB2       GLU  90 -10.119   2.802   8.350
  725   2HB   GLU  90          HB3       GLU  90  -8.472   3.143   8.861
  726   1HG   GLU  90          HG2       GLU  90  -9.311   4.006  11.034
  727   2HG   GLU  90          HG3       GLU  90 -10.983   3.921  10.466
  728    H    ARG  91           HN       ARG  91 -10.176   4.111   6.063
  729    HA   ARG  91           HA       ARG  91  -7.520   4.075   5.068
  730   1HB   ARG  91          HB2       ARG  91 -10.079   4.024   3.439
  731   2HB   ARG  91          HB3       ARG  91  -8.448   3.564   2.909
  732   1HG   ARG  91          HG2       ARG  91  -8.487   2.035   5.097
  733   2HG   ARG  91          HG3       ARG  91 -10.233   2.187   4.946
  734   1HD   ARG  91          HD2       ARG  91  -8.260   1.130   2.921
  735   2HD   ARG  91          HD3       ARG  91  -9.368   0.117   3.821
  736    HE   ARG  91           HE       ARG  91  -9.848   1.378   1.360
  737   1HH1  ARG  91          HH22      ARG  91 -11.520   0.666   4.349
  738   2HH1  ARG  91          HH21      ARG  91 -13.110   0.587   3.687
  739   1HH2  ARG  91          HH12      ARG  91 -11.707   1.138   0.378
  740   2HH2  ARG  91          HH11      ARG  91 -13.173   0.665   1.209
  741    H    GLU  92           HN       GLU  92 -10.206   6.537   4.622
  742    HA   GLU  92           HA       GLU  92  -8.854   8.318   3.070
  743   1HB   GLU  92          HB2       GLU  92 -10.375   9.017   5.610
  744   2HB   GLU  92          HB3       GLU  92  -9.967  10.109   4.266
  745   1HG   GLU  92          HG2       GLU  92 -11.444   8.853   2.791
  746   2HG   GLU  92          HG3       GLU  92 -11.813   7.738   4.081
  747    H    ASP  93           HN       ASP  93  -8.550   7.992   6.635
  748    HA   ASP  93           HA       ASP  93  -6.686  10.099   6.980
  749   1HB   ASP  93          HB2       ASP  93  -7.166   7.473   8.504
  750   2HB   ASP  93          HB3       ASP  93  -5.896   8.604   8.970
  751    H    LEU  94           HN       LEU  94  -6.257   6.829   5.768
  752    HA   LEU  94           HA       LEU  94  -3.359   6.987   6.034
  753   1HB   LEU  94          HB2       LEU  94  -5.195   5.000   4.657
  754   2HB   LEU  94          HB3       LEU  94  -3.447   4.915   4.502
  755    HG   LEU  94           HG       LEU  94  -4.646   5.143   7.279
  756   1HD1  LEU  94          HD11      LEU  94  -4.648   2.702   5.498
  757   2HD1  LEU  94          HD12      LEU  94  -4.638   2.588   7.279
  758   3HD1  LEU  94          HD13      LEU  94  -5.970   3.395   6.455
  759   1HD2  LEU  94          HD21      LEU  94  -2.656   3.746   7.803
  760   2HD2  LEU  94          HD22      LEU  94  -2.179   3.773   6.100
  761   3HD2  LEU  94          HD23      LEU  94  -2.206   5.279   7.041
  762    H    ILE  95           HN       ILE  95  -5.773   7.301   3.325
  763    HA   ILE  95           HA       ILE  95  -3.861   7.743   1.270
  764    HB   ILE  95           HB       ILE  95  -6.709   8.816   1.539
  765   1HG1  ILE  95          HG12      ILE  95  -7.005   6.468   1.655
  766   2HG1  ILE  95          HG13      ILE  95  -7.319   6.913  -0.001
  767   1HG2  ILE  95          HG21      ILE  95  -4.920   8.435  -0.880
  768   2HG2  ILE  95          HG22      ILE  95  -6.647   8.869  -0.910
  769   3HG2  ILE  95          HG23      ILE  95  -5.484   9.980  -0.199
  770   1HD1  ILE  95          HD11      ILE  95  -4.989   6.136  -0.596
  771   2HD1  ILE  95          HD12      ILE  95  -4.816   5.570   1.087
  772   3HD1  ILE  95          HD13      ILE  95  -6.062   4.875   0.044
  773    H    ALA  96           HN       ALA  96  -5.481   9.940   3.584
  774    HA   ALA  96           HA       ALA  96  -4.537  12.415   2.603
  775   1HB   ALA  96          HB1       ALA  96  -5.077  11.535   5.472
  776   2HB   ALA  96          HB2       ALA  96  -4.918  13.210   4.911
  777   3HB   ALA  96          HB3       ALA  96  -6.263  12.198   4.337
  778    H    TYR  97           HN       TYR  97  -3.099  10.289   5.187
  779    HA   TYR  97           HA       TYR  97  -0.691  11.819   5.315
  780   1HB   TYR  97          HB2       TYR  97  -1.117  10.532   7.151
  781   2HB   TYR  97          HB3       TYR  97  -1.426   9.065   6.207
  782    HD1  TYR  97           HD1      TYR  97   1.238  11.458   7.254
  783    HD2  TYR  97           HD2      TYR  97   0.297   7.688   5.530
  784    HE1  TYR  97           HE1      TYR  97   3.663  10.825   7.318
  785    HE2  TYR  97           HE2      TYR  97   2.666   6.895   5.860
  786    HH   TYR  97           HH       TYR  97   5.287   8.968   7.098
  787    H    LEU  98           HN       LEU  98  -1.416   8.986   3.294
  788    HA   LEU  98           HA       LEU  98   1.063   8.745   1.948
  789   1HB   LEU  98          HB2       LEU  98  -1.829   8.335   1.241
  790   2HB   LEU  98          HB3       LEU  98  -0.628   8.273  -0.031
  791    HG   LEU  98           HG       LEU  98   0.284   6.369   0.622
  792   1HD1  LEU  98          HD11      LEU  98   0.888   6.808   2.927
  793   2HD1  LEU  98          HD12      LEU  98  -0.811   6.627   3.415
  794   3HD1  LEU  98          HD13      LEU  98   0.091   5.236   2.786
  795   1HD2  LEU  98          HD21      LEU  98  -2.117   6.082  -0.026
  796   2HD2  LEU  98          HD22      LEU  98  -1.404   4.729   0.872
  797   3HD2  LEU  98          HD23      LEU  98  -2.485   5.871   1.700
  798    H    LYS  99           HN       LYS  99  -1.613  11.150   1.416
  799    HA   LYS  99           HA       LYS  99  -0.269  12.326  -0.831
  800   1HB   LYS  99          HB2       LYS  99  -2.686  13.022   0.837
  801   2HB   LYS  99          HB3       LYS  99  -1.950  14.214  -0.219
  802   1HG   LYS  99          HG2       LYS  99  -2.110  12.644  -2.133
  803   2HG   LYS  99          HG3       LYS  99  -2.906  11.457  -1.082
  804   1HD   LYS  99          HD2       LYS  99  -4.835  12.854  -0.799
  805   2HD   LYS  99          HD3       LYS  99  -4.000  14.275  -1.467
  806   1HE   LYS  99          HE2       LYS  99  -3.862  13.218  -3.688
  807   2HE   LYS  99          HE3       LYS  99  -4.630  11.748  -3.072
  808   1HZ   LYS  99          HZ1       LYS  99  -6.136  13.184  -4.270
  809   2HZ   LYS  99          HZ2       LYS  99  -6.666  12.879  -2.829
  810   3HZ   LYS  99          HZ3       LYS  99  -5.996  14.382  -3.130
  811    H    LYS 100           HN       LYS 100   0.592  12.439   2.467
  812    HA   LYS 100           HA       LYS 100   2.680  14.297   1.587
  813   1HB   LYS 100          HB2       LYS 100   1.175  14.660   4.207
  814   2HB   LYS 100          HB3       LYS 100   2.803  15.269   3.865
  815   1HG   LYS 100          HG2       LYS 100   1.663  16.213   1.669
  816   2HG   LYS 100          HG3       LYS 100   0.184  16.134   2.611
  817   1HD   LYS 100          HD2       LYS 100   0.911  17.806   4.103
  818   2HD   LYS 100          HD3       LYS 100   2.614  17.382   3.910
  819   1HE   LYS 100          HE2       LYS 100   0.989  18.934   1.859
  820   2HE   LYS 100          HE3       LYS 100   2.243  19.556   2.948
  821   1HZ   LYS 100          HZ1       LYS 100   2.576  18.005   0.512
  822   2HZ   LYS 100          HZ2       LYS 100   3.575  17.585   1.707
  823   3HZ   LYS 100          HZ3       LYS 100   3.546  19.108   1.072
  824    H    ALA 101           HN       ALA 101   2.805  11.679   1.349
  825    HA   ALA 101           HA       ALA 101   5.311  11.312   2.817
  826   1HB   ALA 101          HB1       ALA 101   3.843  10.163   4.385
  827   2HB   ALA 101          HB2       ALA 101   3.086   9.228   3.082
  828   3HB   ALA 101          HB3       ALA 101   4.785   8.947   3.490
  829    H    THR 102           HN       THR 102   2.875   9.636   0.794
  830    HA   THR 102           HA       THR 102   5.011   8.573  -0.965
  831    HB   THR 102           HB       THR 102   3.272   7.043  -1.697
  832    HG1  THR 102           HG1      THR 102   1.575   8.528  -1.623
  833   1HG2  THR 102          HG21      THR 102   2.888   5.816   0.323
  834   2HG2  THR 102          HG22      THR 102   4.410   6.708   0.551
  835   3HG2  THR 102          HG23      THR 102   2.928   7.278   1.324
  836    H    ASN 103           HN       ASN 103   4.703  11.327  -1.105
  837    HA   ASN 103           HA       ASN 103   3.530  11.836  -3.731
  838   1HB   ASN 103          HB2       ASN 103   1.514  11.767  -2.248
  839   2HB   ASN 103          HB3       ASN 103   2.241  12.985  -1.232
  840   1HD2  ASN 103          HD21      ASN 103   1.047  14.848  -1.616
  841   2HD2  ASN 103          HD22      ASN 103   0.643  15.413  -3.232
  842    H    GLU 104           HN       GLU 104   4.067  13.793  -0.683
  843    HA   GLU 104           HA       GLU 104   6.273  15.224  -1.173
  844   1HB   GLU 104          HB2       GLU 104   5.476  16.090  -3.197
  845   2HB   GLU 104          HB3       GLU 104   3.826  16.300  -2.607
  846   1HG   GLU 104          HG2       GLU 104   6.161  17.847  -1.474
  847   2HG   GLU 104          HG3       GLU 104   5.307  18.384  -2.936
  848    HHA  HES 105           HGM      HES 105   1.840  -4.257  -2.214
  849    HHB  HES 105           HDM      HES 105  -0.658   0.711   0.849
  850    HHC  HES 105           HAM      HES 105  -0.395  -2.660   6.278
  851    HHD  HES 105           HBM      HES 105   3.054  -7.121   3.347
  852   1HMA  HES 105          HM81      HES 105   0.056   0.584  -2.902
  853   2HMA  HES 105          HM82      HES 105  -0.071   1.361  -1.322
  854   3HMA  HES 105          HM83      HES 105  -1.439   0.415  -1.958
  855   1HAA  HES 105          HP71      HES 105   0.170  -3.177  -3.506
  856   2HAA  HES 105          HP72      HES 105  -0.207  -1.502  -3.822
  857   1HBA  HES 105          HP73      HES 105   2.609  -2.656  -3.738
  858   2HBA  HES 105          HP74      HES 105   2.180  -0.972  -4.089
  859   1HMB  HES 105          HM11      HES 105  -0.499   2.170   2.593
  860   2HMB  HES 105          HM12      HES 105  -0.932   2.244   4.288
  861   3HMB  HES 105          HM13      HES 105  -2.177   1.838   3.081
  862    HAB  HES 105          HT2A      HES 105  -1.392  -0.864   6.718
  863   1HBB  HES 105          HT21      HES 105  -2.749   1.493   5.388
  864   2HBB  HES 105          HT22      HES 105  -3.148   0.749   6.928
  865   3HBB  HES 105          HT23      HES 105  -3.440  -0.131   5.409
  866   1HMC  HES 105          HM31      HES 105   0.941  -5.671   8.036
  867   2HMC  HES 105          HM32      HES 105  -0.366  -4.561   7.651
  868   3HMC  HES 105          HM33      HES 105   1.289  -3.956   7.869
  869    HAC  HES 105          HT4A      HES 105   3.125  -7.527   5.395
  870   1HBC  HES 105          HT41      HES 105   0.855  -7.741   7.407
  871   2HBC  HES 105          HT42      HES 105   2.140  -8.913   7.104
  872   3HBC  HES 105          HT43      HES 105   0.942  -8.562   5.847
  873   1HMD  HES 105          HM51      HES 105   3.901  -8.361   1.842
  874   2HMD  HES 105          HM52      HES 105   4.958  -7.722   0.574
  875   3HMD  HES 105          HM53      HES 105   3.519  -8.684   0.156
  876   1HAD  HES 105          HP61      HES 105   2.720  -7.843  -1.778
  877   2HAD  HES 105          HP62      HES 105   2.287  -6.386  -2.616
  878   1HBD  HES 105          HP63      HES 105   4.504  -5.764  -2.991
  879   2HBD  HES 105          HP64      HES 105   5.101  -6.642  -1.581