*HEADER   ELECTRON TRANSPORT                      28-JUL-97   1AQA    
*TITLE    SOLUTION STRUCTURE OF REDUCED MICROSOMAL RAT CYTOCHROME B5, 
*TITLE   2 NMR, MINIMIZED AVERAGE STRUCTURE                           
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CYTOCHROME B5;                                   
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: SOLUBLE DOMAIN;                                  
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                     
*SOURCE  3 STRAIN: NM522;                                             
*SOURCE  4 CELLULAR_LOCATION: CYTOPLASM;                              
*SOURCE  5 PLASMID: PUC13;                                            
*SOURCE  6 GENE: SYNRATCYB5;                                          
*SOURCE  7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  8 EXPRESSION_SYSTEM_STRAIN: NM522;                           
*SOURCE  9 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;            
*SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                    
*SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PUC 13;                         
*SOURCE 12 EXPRESSION_SYSTEM_GENE: SYNRATCYB5;                        
*SOURCE 13 OTHER_DETAILS: CLONING VECTOR PUC13                        
*KEYWDS   CYTOCHROME B5, PROTEIN RECOGNITION, SOLUTION STRUCTURES,    
*KEYWDS  2 SECONDARY STRUCTURES, ELECTRON TRANSPORT                   
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   L.BANCI,I.BERTINI,F.FERRONI,A.ROSATO                        
*REVDAT  1   17-SEP-97 1AQA    0                                      


  63 HEM
         FE     39 HIS  NE2     2.10  3.00e+00
  1 ASP- 
         HN      1 ASP- HA      5.50  #     2     2871.8  e   only800 3227
         HN      1 ASP- HB2     5.10  #     2     4500.7  e   only800 3225
         HN      1 ASP- HB3     4.90  #     2     5665.8  e   only800 3226
         HA      2 LYS+ HN      4.60  #     2     7728.5  e   only800 3228
  2 LYS+ 
         HN      2 LYS+ HA      5.10  #     2     4234.0  e   prova   1134
         HN      2 LYS+ QB      5.10  # i   2     9530.0*2e   prova   1135
         HA      2 LYS+ QB      5.20  # m   2    14665.0*2e   prova   1136
         HA      2 LYS+ QG      6.00  # i   1     6890.0*2e   prova   1138
         HA      2 LYS+ QD      5.10  # m   1    37240.0*2e   prova   1137
         QB      2 LYS+ QG      6.70  # mm  1    15370.0*4e   prova   1140
         QB      2 LYS+ QD      6.90  # mm  1    13367.5*4e   prova   1139
         QB      3 ASP- HN      6.60  # m   2     2587.5*2e   prova   1133 HN3,QB2
         QG      2 LYS+ QD      6.80  # mm  1    14197.5*4e   prova   1142
  3 ASP- 
         HN      3 ASP- HA      5.40  #     2     3248.0  e   prova   1088
         HN      3 ASP- HB2     3.70 <#     2    31820.0  e   prova   1087
         HN      3 ASP- HB3     4.60 >#     2     8490.0  e   prova   1093 ASP 3
         HA      3 ASP- HB3     4.90  #     2     5629.0  e   prova   1091
         HA      4 VAL  HN      5.60  #     2     2480.0  e   prova   1229
         HB2     4 VAL  HN      5.10  #     2     4493.0  e   prova   1230
  4 VAL  
         HN      4 VAL  HA      4.10  #     2    17350.0  e   prova     11
         HN      4 VAL  HB      3.60  #     2    35490.0  e   prova      2
         HN      4 VAL  QG1     4.30  #     1M   29960.0  e   prova      3
         HN      4 VAL  QG2     4.90  #     1M   13190.0  e   prova      4
         HA      4 VAL  HB      3.40  #     2    48280.0  e   prova      5
         HA      4 VAL  QG1     4.00  #     1M   45480.0  e   prova      6
         HA      4 VAL  QG2     4.10  #     1M   40930.0  e   prova      7
         HA      5 LYS+ HN      5.40  #     2     3058.0  e   prova   1231
         HA      5 LYS+ HA      4.80  #     2     6348.0  e   prova   1085
         HA      5 LYS+ QG      7.00  # m w 5     1787.5*2e   prova   2829
         HA      6 TYR  CG      8.00  # r w 5     6560.0*2e   prova   2538
         HA     78 GLU- HN      4.60  #     4     4144.0  e   prova   1628
         HB      4 VAL  QG1     4.10  #     1M   41490.0  e   prova      8
         HB      4 VAL  QG2     4.20  #     1M   34930.0  e   prova      9
         QG1     6 TYR  HB2     7.00  #   w 5M    3330.0  e   prova   1626
         QG1     6 TYR  CG      8.00  # r   5M    9475.0*2e   prova   1623
         QG1     6 TYR  CZ      8.90  # r   5M    4814.5*2e   prova   1616
         QG1    77 GLY  HA1     7.00  #   w 5M    2770.0  e   prova   1618
         QG1    77 GLY  HA2     7.00  #   w 5M    2002.0  e   prova   1617
         QG1    78 GLU- HN      7.00 >#   w 5M     794.0  e   prova   1622
         QG1    78 GLU- QB      5.10 <# m   5M   65400.0*2e   prova   1614
         QG1    78 GLU- QG      7.50  # m   5M    6390.0*2e   prova   1621
         QG2     5 LYS+ HN      7.00  #     5M    4429.0  e   prova   1634
         QG2     5 LYS+ HA      6.70  #     5M    5535.0  e   prova   2539
         QG2     6 TYR  CG      8.90  # r   5M    4804.5*2e   prova   2535
         QG2     6 TYR  CZ      8.00  # r   5M    9450.0*2e   prova   1635
         QG2    78 GLU- HN      7.00 <#     5M    4275.0  e   prova   2534
         QG2    78 GLU- QB      8.00 ># m w 5M    4052.0*2e   prova   2541
         QG2    78 GLU- QG      7.60  # m   5M    5865.0*2e   prova   1637
  5 LYS+ 
         HN      5 LYS+ HA      3.00  #     2   102800.0  e   prova   1075
         HN      5 LYS+ QB      4.60  # i   2    20390.0*2e   prova   1076
         HN      6 TYR  HA      4.30  #     2    12090.0  e   prova   1640
         HN      6 TYR  HB2     5.30  #     2     3649.0  e   prova   2543
         HN      6 TYR  CG      8.00  # r w 5     5130.0*2e   prova   2546
         HA      5 LYS+ QB      4.10  # m   2    84100.0*2e   prova   1079
         HA      6 TYR  HN      3.10  #     2    99420.0  e   prova   1234
         HA      6 TYR  HA      4.90  #     2     5716.0  e   prova   1233
         HA      6 TYR  CG      8.00  # r w 5     3243.5*2e   prova   2645
         HA      7 TYR  CZ      8.00  # r w 5     1376.5*2e   prova   1641
         HA     78 GLU- HN      4.50  #     4     4804.0  e   prova   2935
         QB      5 LYS+ QG      6.20  # mm  1    32050.0*4e   prova   1082
         QB      5 LYS+ QE      6.90  # mm  1    13025.0*4e   prova   1080
         QB      6 TYR  HN      4.90  # m   2    22945.0*2e   prova   1235
         QB      7 TYR  CZ      9.00  # mrw 5     8347.5*4e   prova   1642
         QB     78 GLU- HN      7.00  # m w 5     1796.0*2e   prova   1644
         QG      6 TYR  CZ      9.00  # mrw 5      718.2*4e   prova   2540
  6 TYR  
         HN      6 TYR  HA      4.60  #     2     7926.0  e   prova    102
         HN      6 TYR  HB2     5.30 >#     2     3481.0  e   prova    104
         HN      6 TYR  HB3     4.10 <#     2    17300.0  e   prova    103
         HN      6 TYR  CG      7.60  # r   1     5870.0*2e   prova    112
         HN     79 LEU  HN      5.20  #     4     1985.0  e   prova   2937
         HA      6 TYR  HB2     4.00  #     2    19890.0  e   prova    109
         HA      6 TYR  HB3     3.80  #     2    26640.0  e   prova    110
         HA      6 TYR  CG      5.30  # m   1    28860.0*2e   prova    115
         HA      6 TYR  CZ      6.60  # i w 1     1096.5*2e   prova   1680
         HA      7 TYR  HN      3.00  #     2    99680.0  e   prova   1239
         HA     78 GLU- HN      3.80  #     4    13970.0  e   prova   1647
         HA     78 GLU- HA      5.30  #     4     1903.0  e   prova   1650
         HA     78 GLU- QB      7.00  # m w 5     1839.5*2e   prova   2831
         HA     79 LEU  HN      4.10  #     4     9091.0  e   prova   2936
         HA     80 HIS  HN      4.00  #     4     9795.0  e   prova   1646
         HA     80 HIS  HA      5.00  #     4     2458.0  e   prova   1651
         HA     80 HIS  QB      7.00  # m w 5     5350.0*2e   prova   1677
         HB2     6 TYR  CG      6.90  # r   1    12610.0*2e   prova    118
         HB2     7 TYR  HN      4.80  #     2     5996.0  e   prova   1237
         HB2    80 HIS  HN      6.00  #   w 5     6233.0  e   prova   2981
         HB2    80 HIS  HA      6.00  #   w 5    15050.0  e   prova   1632
         HB2    80 HIS  HD2     5.80  #     5    21220.0  e   prova   1656
         HB2    81 PRO  HD2     6.00  #   w 5     4629.0  e   prova   3051
         HB2    81 PRO  HD3     6.00  #   w 5     5611.0  e   prova   3050
         HB3     6 TYR  CG      6.70  # r   1    17240.0*2e   prova    116
         HB3     7 TYR  HN      5.30  #     2     3577.0  e   prova   1238
         HB3    80 HIS  HA      6.00  #   w 5    15510.0  e   prova   1655
         HB3    80 HIS  QB      6.50  # m   5    29080.0*2e   prova   1658
         HB3    80 HIS  HD2     5.60  #     5    25800.0  e   prova   1652
         CG      6 TYR  CZ      8.30  # rr  1    28625.0*4e   prova    113
         CG      7 TYR  HN      8.00  # r w 5     5255.0*2e   prova   1661
         CG     78 GLU- HN      8.00  # r w 5     2104.0*2e   prova   1662
         CG     78 GLU- QB      8.30  # rm  5    33900.0*4e   prova   1668
         CG     78 GLU- QG      9.00  # rmw 5     9160.0*4e   prova   1664
         CG     80 HIS  HN      8.00  # r w 5     4092.5*2e   prova   1673
         CG     80 HIS  HA      8.00  # r w 5     6605.0*2e   prova   1629
         CG     80 HIS  QB      9.00  # rmw 5     3517.5*4e   prova   1675
         CG     81 PRO  HD3     8.00  # r w 5    12675.0*2e   prova   1684
         CZ     78 GLU- HN      8.00  # r w 5     1917.0*2e   prova   2983
         CZ     78 GLU- QB      9.00  # rmw 5     5315.0*4e   prova   1669
         CZ     78 GLU- QG      9.00  # rmw 5     3185.0*4e   prova   1666
         CZ     80 HIS  HA      8.00  # r w 5      940.5*2e   prova   1633
         CZ     80 HIS  QB      9.00  # rmw 5      306.2*4e   prova   1676
         CZ     81 PRO  HD3     8.00  # r w 5    11115.0*2e   prova   1682
  7 TYR  
         HN      7 TYR  HA      3.20  #     2    80680.0  e   prova    136
         HN      7 TYR  HB2     3.80  #     2    24900.0  e   prova    126
         HN      7 TYR  HB3     4.10  #     2    16380.0  e   prova    125
         HN      7 TYR  CG      6.60  # r   1    18515.0*2e   prova    123
         HN      8 THR  HA      4.80  #     2     6075.0  e   prova   1685
         HN     12 ILE  HG13    6.00  #   w 5     1567.0  e   prova   2830
         HN     29 VAL  QG2     6.10  #     5M    9073.0  e   prova   1692
         HN     78 GLU- QB      7.00  # m w 5     1555.5*2e   prova   1696
         HN     80 HIS  QB      7.00  # m w 5     3246.0*2e   prova   1697
         HA      7 TYR  HB2     4.00  #     2    18420.0  e   prova    143
         HA      7 TYR  HB3     3.70  #     2    32950.0  e   prova    142
         HA      7 TYR  CG      5.10  # m   1    39295.0*2e   prova    141
         HA      8 THR  HN      4.50  #     2     9551.0  e   prova   1243
         HA      8 THR  HA      4.70  #     2     7471.0  e   prova   1245
         HA      8 THR  QG2     5.70  #     5M   12440.0  e   prova   1686
         HA     11 GLU- QG      7.00  # m w 5     9165.0*2e   prova   1689
         HA     12 ILE  QD1     6.00  #     5M    9383.0  e   prova   1690
         HB2     7 TYR  CG      6.00  # r   1    41655.0*2e   prova    127
         HB2     7 TYR  CZ      8.00  # r w 1     1773.5*2e   prova   2548
         HB2    11 GLU- HB3     6.00  #   w 5     9573.0  e   prova   1699
         HB2    12 ILE  HB      6.00  #   w 5     6965.0  e   prova   1706
         HB2    12 ILE  QD1     4.80  #     5M   29920.0  e   prova   1710
         HB2    22 TRP  HZ3     6.00  #   w 5     3858.0  e   prova   1716
         HB2    29 VAL  QG2     5.30  #     5M   18330.0  e   prova   1721
         HB2    79 LEU  QD1     7.00  #   w 5M    3483.0  e   prova   1728
         HB2    79 LEU  QD2     7.00  #     5M    4366.0  e   prova   1724
         HB3     7 TYR  CG      6.00  # r   1    40490.0*2e   prova    128
         HB3     7 TYR  CZ      8.00  # r w 1     1344.5*2e   prova   2547
         HB3    11 GLU- HB3     6.00  #   w 5    10240.0  e   prova   1701
         HB3    11 GLU- QG      6.70  # m   5    23460.0*2e   prova   1702
         HB3    12 ILE  HN      6.00  #   w 5     2391.0  e   prova   1704
         HB3    12 ILE  HA      6.00  #   w 5     2013.0  e   prova   1705
         HB3    12 ILE  QD1     5.70  #     5M   12900.0  e   prova   1711
         HB3    22 TRP  HE3     6.00  #   w 5    16590.0  e   prova   1712
         HB3    22 TRP  HZ3     6.00  #   w 5     8952.0  e   prova   1713
         HB3    22 TRP  HH2     6.00  #   w 5     2899.0  e   prova   1719
         HB3    29 VAL  QG1     5.30  #     5M   17160.0  e   prova   1722
         HB3    79 LEU  QD1     5.00  #     5M   24780.0  e   prova   1729
         HB3    79 LEU  QD2     6.80  #     5M    4900.0  e   prova   3013
         HB3    80 HIS  HN      6.00  #   w 5     3170.0  e   prova   3038
         CG      7 TYR  CZ      8.20  # rr  1    31750.0*4e   prova    135
         CG      8 THR  HN      8.00  # r w 5     4130.0*2e   prova   1745
         CG     11 GLU- HB3     8.00  # r w 5    10850.0*2e   prova   1748
         CG     11 GLU- QG      9.00  # rmw 5     4507.5*4e   prova   1747
         CG     12 ILE  HG12    7.70  # r   5    23995.0*2e   prova   1730
         CG     22 TRP  HE3     8.00  # r w 5     2941.5*2e   prova   1754
         CG     22 TRP  HZ3     8.00  # r w 5     9140.0*2e   prova   1753
         CG     22 TRP  HH2     8.00  # r w 5    11845.0*2e   prova   1751
         CG     29 VAL  HB      8.00  # r w 5    14280.0*2e   prova   1732
         CG     29 VAL  QG1     7.30  # r   5M   18455.0*2e   prova   1737
         CG     29 VAL  QG2     6.40  # r   5M   44645.0*2e   prova   1736
         CG     76 ILE  QG2     9.00  # r w 5M    2142.0*2e   prova   1764
         CG     76 ILE  HG12    8.00 <# r w 5     8870.0*2e   prova   1758
         CG     76 ILE  HG13    8.00 ># r w 5     1796.0*2e   prova   1759
         CG     76 ILE  QD1     9.00  # r   5M    4398.0*2e   prova   1760
         CG     77 GLY  HN      8.00  # r w 5     1702.5*2e   prova   2986
         CG     77 GLY  HA2     8.00  # r w 5     2009.0*2e   prova   1776
         CG     78 GLU- HA      8.00  # r w 5    12100.0*2e   prova   1778
         CZ     22 TRP  HZ3     8.00  # r w 5     2611.0*2e   prova   1756
         CZ     22 TRP  HH2     8.00  # r w 5     6465.0*2e   prova   1757
         CZ     29 VAL  HB      8.00  # r w 5    10725.0*2e   prova   1733
         CZ     29 VAL  QG1     8.40  # r   5M    6945.0*2e   prova   1741
         CZ     29 VAL  QG2     8.80  # r   5M    5255.0*2e   prova   1740
         CZ     76 ILE  HB      8.00  # r w 5     3287.5*2e   prova   1770
         CZ     76 ILE  HG12    8.00 <# r w 5    11220.0*2e   prova   1765
         CZ     76 ILE  HG13    8.00 ># r w 5     3844.5*2e   prova   1766
         CZ     76 ILE  QD1     8.00  # r   5M    9385.0*2e   prova   1767
         CZ     77 GLY  HN      8.00  # r w 5     2765.0*2e   prova   1772
         CZ     77 GLY  HA2     8.00  # r w 5     5585.0*2e   prova   1775
         CZ     78 GLU- HN      8.00  # r w 5     2280.5*2e   prova   1746
  8 THR  
         HN      8 THR  HA      5.40  #     2     2963.0  e   prova    810
         HN      8 THR  QG2     5.60  #     1M    6214.0  e   prova    811
         HN     11 GLU- HN      4.70  #     3    11960.0  e   prova   1780
         HN     11 GLU- HB3     5.70  #     3     3866.0  e   prova   1781
         HA      8 THR  HB      3.50  #     2    40820.0  e   prova    813
         HA      8 THR  QG2     5.50  #     1M    7022.0  e   prova    814
         HA      9 LEU  HN      5.60  #     2     2455.0  e   prova   1246
         HA      9 LEU  HA      4.90  #     2     5648.0  e   prova   1249
         HA     11 GLU- HN      5.90  #     3     3175.0  e   prova   3062
         HA     79 LEU  QD2     5.80  #     5M   11570.0  e   prova   1783
         HA     83 ASP- HN      5.10  #     4     2418.0  e   prova   2867
         HB      8 THR  QG2     3.90  #     1M   54850.0  e   prova    815 THR 8
         HB      9 LEU  HN      3.80  #     2    26790.0  e   prova   1248
         HB      9 LEU  QB      7.00  # m w 5     3734.0*2e   prova   1786
         HB     10 GLU- HN      3.70  #     3    50090.0  e   prova   1792
         HB     10 GLU- HA      5.20  #     3     6295.0  e   prova   2551
         HB     10 GLU- HB2     6.00  #   w 5     6975.0  e   prova   1790
         HB     10 GLU- HB3     6.00  #   w 5     8234.0  e   prova   1789
         HB     11 GLU- HN      5.20  #     3     6458.0  e   prova   1795
         QG2     9 LEU  HN      4.60  #     5M   37710.0  e   prova   1784
         QG2    10 GLU- HN      6.30  #     5M    7415.0  e   prova   1787
         QG2    11 GLU- HN      7.00  #   w 5M    2247.0  e   prova   1793
         QG2    80 HIS  QB      8.00  # m   5M    4442.5*2e   prova   1799
         QG2    80 HIS  HD2     5.80  #     5M   11240.0  e   prova   1797
  9 LEU  
         HN      9 LEU  HA      3.40  #     2    48540.0  e   prova    792
         HN      9 LEU  QB      4.20  # i   2    34610.0*2e   prova    785
         HN      9 LEU  HG      4.10  #     1    35540.0  e   prova    793
         HN      9 LEU  QD1     5.50  #     1M    6393.0  e   prova    786
         HN      9 LEU  QD2     5.90  #     1M    4570.0  e   prova    806
         HN     10 GLU- HN      3.70  #     2    29740.0  e   prova   1250
         HN     11 GLU- HN      5.40  #     3     4991.0  e   prova   3058
         HN     79 LEU  QD2     5.30  #     5M   18100.0  e   prova   1810
         HN     80 HIS  QB      7.00  # m w 5     2872.5*2e   prova   3040
         HA      9 LEU  QB      4.50  # m   2    43895.0*2e   prova    790
         HA      9 LEU  HG      3.50  #     1    90770.0  e   prova    791
         HA      9 LEU  QD1     4.10 <#     1M   42180.0  e   prova    789
         HA      9 LEU  QD2     4.90 >#     1M   13270.0  e   prova    805
         HA     10 GLU- HN      4.50  #     2     9227.0  e   prova   1252
         HA     11 GLU- HN      4.70  #     3    12750.0  e   prova   1800
         HA     12 ILE  HN      4.30  #     3    22210.0  e   prova   1803
         HA     12 ILE  HB      3.60  #     3    62500.0  e   prova   1805
         HA     12 ILE  HG13    4.80  #     5    53310.0  e   prova   1806
         HA     13 GLN  HN      5.10  #     3     7597.0  e   prova   1808
         HA     79 LEU  HG      6.00  #   w 5    11540.0  e   prova   2549
         HA     79 LEU  QD1     6.00  #     5M    9151.0  e   prova   1814
         HA     79 LEU  QD2     5.20  #     5M   18800.0  e   prova   1811
         QB      9 LEU  HG      4.20  # m   1   160150.0*2e   prova    800
         QB      9 LEU  QD1     5.00 <# m   1M   46090.0*2e   prova    799
         QB      9 LEU  QD2     6.00 ># m   1M   12170.0*2e   prova    798
         QB     10 GLU- HN      5.10  # m   2    16130.0*2e   prova   1254
         QB     79 LEU  HG      6.80  # m   5    21140.0*2e   prova   1827
         QB     79 LEU  QD2     6.80  # m   5M   10980.0*2e   prova   1826
         QB     83 ASP- QB      8.00  # mmw 5      677.0*4e   prova   1829
         HG      9 LEU  QD1     3.40  #   s 1M  114100.0  e   prova    808
         HG      9 LEU  QD2     3.40  #   s 1M  253300.0  e   prova    807
         HG     10 GLU- HN      6.00  #   w 5    17280.0  e   prova   1816
         HG     10 GLU- HA      6.00  #   w 5    10800.0  e   prova   1819
         HG     12 ILE  HB      5.20  #     5    37060.0  e   prova   1821
         HG     13 GLN  HB2     5.50  #     5    28540.0  e   prova   1825
         HG     13 GLN  QG      7.00  # m w 5     8340.0*2e   prova   1822
         QD1    12 ILE  HN      7.00  #   w 5M    2589.0  e   prova   1830
         QD1    13 GLN  HN      7.00 >#   w 5M    1985.0  e   prova   1831
         QD1    13 GLN  QG      6.30  # m   5M   17940.0*2e   prova   1833
         QD1    79 LEU  HG      5.30  #     5M   17490.0  e   prova   2553
         QD1    83 ASP- QB      8.00  # m w 5M    3042.5*2e   prova   1835
         QD1    86 LYS+ HA      7.00  #   w 5M    2867.0  e   prova   1839
         QD1    86 LYS+ HB3     5.00  #     5M   23120.0  e   prova   1841
         QD1    86 LYS+ QE      8.00 <# m w 5M    2875.0*2e   prova   1838
         QD2    13 GLN  HN      5.40 <#     5M   16930.0  e   prova   1832
         QD2    83 ASP- HA      7.00  #   w 5M    3120.0  e   prova   1836
         QD2    86 LYS+ QE      8.00 ># m w 5M    1078.0*2e   prova   1837
         QD2    87 ILE  QD1     5.30  # m   5M   49190.0  e   prova   1843
 10 GLU- 
         HN     10 GLU- HA      3.30  #     2    65080.0  e   prova    782 GLU 10
         HN     10 GLU- HB2     3.10  #     2    95290.0  e   prova    773
         HN     10 GLU- HB3     3.30  #     2    63000.0  e   prova    774
         HN     11 GLU- HN      3.60  #     2    36920.0  e   prova   1257
         HN     12 ILE  HN      4.80  #     3    10530.0  e   prova   3059
         HN     13 GLN  HN      5.50  #     3     4840.0  e   prova   3061
         HA     10 GLU- HB2     3.00  #     2   119300.0  e   prova    776
         HA     10 GLU- HB3     3.20  #     2    71720.0  e   prova    775
         HA     11 GLU- HN      4.20  #     2    13660.0  e   prova   1258
         HA     13 GLN  HN      4.60  #     3    14580.0  e   prova   1845
         HA     13 GLN  HB2     4.10 <#     3    29160.0  e   prova   1849
         HA     13 GLN  HB3     5.30 >#     3     6067.0  e   prova   2570
         HA     13 GLN  QG      7.00  # m w 5     6010.0*2e   prova   1846
         HB2    11 GLU- HN      3.80  #     2    28260.0  e   prova   1260
         HB3    11 GLU- HN      3.50  #     2    43160.0  e   prova   1261
 11 GLU- 
         HN     11 GLU- HA      3.60  #     2    33410.0  e   prova    769
         HN     11 GLU- HB3     3.30  #     2    59630.0  e   prova    771 GLU 11
         HN     11 GLU- QG      5.10  # m   1    36110.0*2e   prova    770
         HN     12 ILE  HN      3.50  #     2    41080.0  e   prova   1268
         HN     13 GLN  HN      5.30  #     3     6090.0  e   prova   1850
         HA     11 GLU- HB2     3.20  #     2    72020.0  e   prova    761
         HA     11 GLU- HB3     3.50  #     2    40540.0  e   prova    767
         HA     11 GLU- QG      5.20  # i   1    19085.0*2e   prova    768
         HA     12 ILE  HN      4.10  #     2    16080.0  e   prova   1269
         HA     12 ILE  HA      5.30  #     2     3643.0  e   prova   1267
         HA     13 GLN  HN      5.50  #     3     4595.0  e   prova   1851
         HA     14 LYS+ HN      4.30  #     3    19660.0  e   prova   1854
         HA     14 LYS+ QB      5.30  # m   3    19880.0*2e   prova   2729
         HA     14 LYS+ QG      7.00  # m w 5     5725.0*2e   prova   1857
         HA     14 LYS+ QE      7.00  # m w 5     8395.0*2e   prova   1855
         HA     15 HIS  HD2     6.00  #   w 5     5496.0  e   prova   2814
         HB2    11 GLU- QG      5.20  # m   1    34650.0*2e   prova    763
         HB2    12 ILE  HB      6.00  #   w 5     7911.0  e   prova   1863
         HB2    12 ILE  HG12    5.00  #     5    45950.0  e   prova   1860
         HB2    12 ILE  HG13    6.00  #     5    18260.0  e   prova   1862
         HB3    11 GLU- QG      4.70  # m   1    75500.0*2e   prova    762
         HB3    12 ILE  HN      4.10  #     2    16310.0  e   prova   1266
         HB3    15 HIS  HD2     6.00  #   w 5     4405.0  e   prova   1865
         HB3    22 TRP  HZ3     6.00  #   w 5    10910.0  e   prova   1866
         QG     12 ILE  HN      7.00  # m w 5     5955.0*2e   prova   1868
         QG     12 ILE  HA      7.00  # m w 5      731.0*2e   prova   1870
         QG     14 LYS+ QB      8.00  # mmw 5     1044.5*4e   prova   1871
         QG     22 TRP  HE3     7.00  # m w 5      923.0*2e   prova   1875
         QG     22 TRP  HZ3     7.00  # m w 5     5790.0*2e   prova   1873
 12 ILE  
         HN     12 ILE  HA      3.90  #     2    23620.0  e   prova    733
         HN     12 ILE  HB      3.30  #     2    64000.0  e   prova    734
         HN     12 ILE  QD1     5.00  #     1M   11640.0  e   prova   2559
         HN     13 GLN  HN      3.60  #     2    35480.0  e   prova   1272
         HN     13 GLN  HB3     5.60  #     2     2539.0  e   prova   1877
         HN     22 TRP  HZ3     6.00  #   w 5     1202.0  e   prova   1883
         HA     12 ILE  HB      4.60  #     2     8586.0  e   prova    735
         HA     12 ILE  QD1     4.00  #     1M   50000.0  e   prova    736
         HA     13 GLN  HN      4.20  #     2    14040.0  e   prova   1277
         HA     13 GLN  HA      5.10  #     2     4566.0  e   prova   1275
         HA     15 HIS  HN      4.80  #     3    10130.0  e   prova   3081
         HA     15 HIS  HE1     6.00  #   w 5     4029.0  e   prova   1878
         HA     22 TRP  HE3     4.60  #     5    68790.0  e   prova   1887
         HA     22 TRP  HZ3     5.50  #     5    28270.0  e   prova   1885
         HA     79 LEU  QD1     6.50  #     5M    6578.0  e   prova   2560
         HB     12 ILE  QG2     4.30  #     1M   28780.0  e   prova    739
         HB     12 ILE  HG12    3.60  #     1    76940.0  e   prova    737
         HB     12 ILE  HG13    4.00  #     1    45290.0  e   prova    742
         HB     12 ILE  QD1     3.90  #     1M   50440.0  e   prova    750
         HB     13 GLN  HN      3.40  #     2    55920.0  e   prova   1274
         HB     13 GLN  QG      7.00  # m w 5     4834.0*2e   prova   1889
         HB     51 GLY  HA1     6.00  #   w 5    11540.0  e   prova   2564
         HB     51 GLY  HA2     6.00  #     5    17650.0  e   prova   1890
         HB     79 LEU  QD2     5.60  #     5M   13520.0  e   prova   1892
         QG2    12 ILE  HG12    3.40 <#   s 1M  210000.0  e   prova    748
         QG2    12 ILE  HG13    4.30 >#     1M   31520.0  e   prova    752
         QG2    12 ILE  QD1     4.40  # m s 1M  131200.0  e   prova    755 ILE 12
         QG2    15 HIS  HB2     6.30  #     5M    7690.0  e   prova   1895
         QG2    24 ILE  HN      7.00  #   w 5M    3787.0  e   prova   1904
         QG2    24 ILE  HA      7.00  #   w 5M    3432.0  e   prova   1906
         QG2    29 VAL  QG1     5.80  # m   5M   29630.0  e   prova   1907
         QG2    29 VAL  QG2     6.60  # m   5M   13890.0  e   prova   1910
         HG12   12 ILE  QD1     4.20  #     1M   36980.0  e   prova    749
         HG12   79 LEU  QD2     6.10  #     5M    9052.0  e   prova   3016
         HG13   12 ILE  QD1     3.70  #     1M   76220.0  e   prova    751
         QD1    15 HIS  HB2     6.50  #     5M    6481.0  e   prova   1896
         QD1    22 TRP  HE3     4.40  #     5M   44210.0  e   prova   1898
         QD1    23 VAL  HA      6.00  #     5M    9206.0  e   prova   2613
         QD1    24 ILE  HN      5.30  #     5M   17520.0  e   prova   1903
         QD1    24 ILE  HA      5.40  #     5M   15850.0  e   prova   1900
         QD1    29 VAL  HB      5.40  #     5M   16720.0  e   prova   1911
         QD1    29 VAL  QG1     6.70  # m   5M   12850.0  e   prova   1914
         QD1    29 VAL  QG2     6.10  # m   5M   22400.0  e   prova   1913
         QD1    51 GLY  HA1     4.60  #     5M   35790.0  e   prova   1916
         QD1    79 LEU  HA      6.00  #     5M    9858.0  e   prova   1918
         QD1    79 LEU  QD2     5.00  # m   5M   72840.0  e   prova   1920
 13 GLN  
         HN     13 GLN  HA      3.90  #     2    22990.0  e   prova    711
         HN     13 GLN  HB2     3.20  #     2    77310.0  e   prova    713
         HN     13 GLN  HB3     3.50  #     2    40840.0  e   prova    714
         HN     13 GLN  QG      5.40  # m   1    23750.0*2e   prova    712
         HN     14 LYS+ HN      3.70  #     2    30530.0  e   prova   1280
         HN     15 HIS  HN      5.70  #     3     3908.0  e   prova   3071
         HN     51 GLY  HA1     4.70 >#     4     3778.0  e   prova   1923
         HN     51 GLY  HA2     4.00 <#     4     9749.0  e   prova   1924
         HA     13 GLN  HB2     4.00  #     2    20050.0  e   prova    717
         HA     13 GLN  HB3     3.80  #     2    27450.0  e   prova    718
         HA     13 GLN  QG      4.70  # i   1    35525.0*2e   prova    716
         HA     14 LYS+ HN      4.90  #     2     5695.0  e   prova   1285
         HA     14 LYS+ HA      5.20  #     2     3800.0  e   prova   1284
         HA     15 HIS  HN      4.70  #     3    11820.0  e   prova   1922
         HA     51 GLY  HA1     3.50 <#     4    21300.0  e   prova   1926
         HA     51 GLY  HA2     4.60 >#     4     4471.0  e   prova   1927
         HB2    13 GLN  QG      4.90  # m   1    48030.0*2e   prova    720
         HB2    14 LYS+ HN      4.90  #     2     5558.0  e   prova   1282
         HB2    14 LYS+ QG      7.00  # m w 5     9185.0*2e   prova   1934
         HB3    13 GLN  QG      5.50  # m   1    21400.0*2e   prova    728
         HB3    14 LYS+ HN      4.60  #     2     7711.0  e   prova   1283
         HB3    14 LYS+ HA      4.60  #     2     8508.0  e   prova   1932
         QG     14 LYS+ HN      7.00  # m w 5     2073.5*2e   prova   1929
 14 LYS+ 
         HN     14 LYS+ HA      3.70  #     2    31840.0  e   prova    693
         HN     14 LYS+ QB      3.90  # i   2    67300.0*2e   prova    695
         HN     14 LYS+ QG      5.10  # m   1    36415.0*2e   prova    696
         HN     14 LYS+ QE      7.00  # m w 1     1470.0*2e   prova    694
         HN     15 HIS  HN      3.30  #     2    56440.0  e   prova   1287
         HA     14 LYS+ QB      4.10  # m   2    97400.0*2e   prova    698
         HA     14 LYS+ QG      5.60  # i   1    11405.0*2e   prova    697
         HA     14 LYS+ QE      6.70  # m   1     5035.0*2e   prova    709
         HA     15 HIS  HN      4.30  #     2    12430.0  e   prova   1289
         QB     14 LYS+ QG      5.70  # mm  1    69125.0*4e   prova    706
         QB     14 LYS+ QE      6.50  # mm  1    20875.0*4e   prova    710 LYS 14
         QB     15 HIS  HN      5.80  # m   2     6385.0*2e   prova   1290
         QB     15 HIS  HD2     7.00  # m w 5     2213.5*2e   prova   2816
         QG     14 LYS+ QE      8.00  # mmw 1      688.0*4e   prova    705
         QG     15 HIS  HN      7.00  # m w 5     7185.0*2e   prova   2568
 15 HIS  
         HN     15 HIS  HA      4.20  #     2    14340.0  e   prova    678
         HN     15 HIS  HB2     3.80  #     2    24130.0  e   prova    679
         HN     15 HIS  HB3     4.40  #     2    11280.0  e   prova    680
         HN     16 LYS+ HN      4.60  #     2     8302.0  e   prova   1295
         HN     16 LYS+ HA      5.90  #     2     1725.0  e   prova   3077
         HA     15 HIS  HB2     5.40 >#     2     3024.0  e   prova    683
         HA     15 HIS  HB3     4.60 <#     2     8248.0  e   prova    682
         HA     15 HIS  HD2     5.90  #     1     4158.0  e   prova    681
         HA     15 HIS  HE1     6.00  #   w 1     2970.0  e   prova   2813
         HA     16 LYS+ HN      3.10  #     2    86040.0  e   prova   1293
         HA     16 LYS+ HA      6.00  #   w 2     1345.0  e   prova   1294
         HA     17 ASP- HN      4.70  #     3    12400.0  e   prova   1938
         HA     20 SER  HA      5.30  #     4     1726.0  e   prova   2820
         HB2    15 HIS  HE1     5.10  #     1     9738.0  e   prova   3066
         HB2    16 LYS+ HN      6.00 >#   w 2     1253.0  e   prova   2819
         HB2    21 THR  HN      6.00  #   w 5     4337.0  e   prova   3084
         HB2    21 THR  HA      6.00  #   w 5     4280.0  e   prova   3085
         HB2    22 TRP  HB2     6.00  #   w 5    16470.0  e   prova   1943
         HB2    22 TRP  HE3     6.00 >#   w 5     6510.0  e   prova   3087
         HB3    15 HIS  HE1     5.10  #     1     9514.0  e   prova    692 HIS 15
         HB3    16 LYS+ HN      5.30 <#     2     3617.0  e   prova   3082
         HB3    22 TRP  HN      6.00  #   w 5     7606.0  e   prova   2818
         HB3    22 TRP  HB2     5.30  #     5    34410.0  e   prova   1942
         HB3    22 TRP  HE3     5.30 <#     5    33870.0  e   prova   1939
         HB3    22 TRP  HZ3     6.00  #   w 5    12320.0  e   prova   1945
         HD2    15 HIS  HE1     3.00  #     1   274000.0  e   prova   2810
 16 LYS+ 
         HN     16 LYS+ HA      4.10  #     2    15320.0  e   prova    664
         HN     16 LYS+ QB      4.20  # i   2    37240.0*2e   prova    665
         HN     16 LYS+ QG      5.60  # m   1    19680.0*2e   prova    669
         HN     17 ASP- HN      3.30  #     2    67570.0  e   prova   1298
         HN     17 ASP- HB2     6.00 >#   w 2     1528.0  e   prova   3118
         HN     17 ASP- HB3     4.80 <#     2     6205.0  e   prova   2571
         HA     16 LYS+ QB      4.60  # m   2    34575.0*2e   prova    666
         HA     16 LYS+ QG      6.60  # i w 1      839.5*2e   prova   3075
         HA     16 LYS+ QE      6.60  # m   1     5875.0*2e   prova    674
         HA     17 ASP- HN      4.10  #     2    15640.0  e   prova   1300
         HA     21 THR  HA      4.60  #     4     4128.0  e   prova   1947
         HA     50 ALA  QB      3.50  #     5M  139000.0  e   prova   1948
         QB     16 LYS+ QG      5.50  # mm  1    90525.0*4e   prova    671
         QB     16 LYS+ QE      7.40  # mm  1     7337.5*4e   prova    673
         QB     50 ALA  QB      4.80  # m   5M   91850.0*2e   prova   1950
         QG     16 LYS+ QE      7.30  # mm  1     8290.0*4e   prova    670
         QG     50 ALA  HA      5.50  # m   5    81600.0*2e   prova   1952
         QG     50 ALA  QB      7.70  # m   5M    5440.0*2e   prova   1954
         QG     51 GLY  HA1     6.90  # m   5    20395.0*2e   prova   1956
 17 ASP- 
         HN     17 ASP- HA      4.00  #     2    19260.0  e   prova    151
         HN     17 ASP- HB2     4.50  #     2     9437.0  e   prova    147
         HN     17 ASP- HB3     4.70  #     2     6818.0  e   prova    146
         HN     50 ALA  QB      5.60  #     5M   12920.0  e   prova   1961
         HA     17 ASP- HB2     3.10  #     2    93910.0  e   prova    148
         HA     17 ASP- HB3     3.20  #     2    69610.0  e   prova    149
         HA     21 THR  HB      4.00  #     3    30390.0  e   prova   1958
         HB2    18 SER  HA      5.60  #     2     2597.0  e   prova   1964
         HB2    19 LYS+ HN      6.00  #   w 3     2141.0  e   prova   3121
         HB3    18 SER  QB      7.00  # m w 5     3986.0*2e   prova   1963
         HB3    50 ALA  QB      4.30  #     5M   49300.0  e   prova   2572
 18 SER  
         HN     18 SER  QB      5.10  # i   2     9035.0*2e   prova    659
         HN     19 LYS+ HN      4.50  #     2     8771.0  e   prova   2833
         HN     19 LYS+ QB      5.40  # m   2    10980.0*2e   prova   2574
         HA     18 SER  QB      5.00  # m   2    20435.0*2e   prova    660
         HA     33 THR  HA      5.60  #     4     1368.0  e   prova   3126
         QB     19 LYS+ QB      8.00  # mmw 5    11317.5*4e   prova   1966
         QB     20 SER  HN      7.00  # m w 3      873.5*2e   prova   3124
 19 LYS+ 
         HN     19 LYS+ HA      4.00  #     2    20350.0  e   prova    636
         HN     19 LYS+ QB      4.20  # i   2    33355.0*2e   prova    638
         HN     19 LYS+ QG      7.00  # m w 1     2175.0*2e   prova    639
         HN     19 LYS+ QD      5.80  # m   1    13805.0*2e   prova    640
         HN     19 LYS+ QE      5.90  # m   1    12475.0*2e   prova    637
         HN     20 SER  HN      3.60  #     2    38920.0  e   prova   1301
         HA     19 LYS+ QB      4.20  # m   2    75800.0*2e   prova    644
         HA     19 LYS+ QG      5.00  # i   1    22970.0*2e   prova    642
         HA     19 LYS+ QD      6.20  # m   1     8600.0*2e   prova    641
         HA     19 LYS+ QE      6.40  # m   1     7220.0*2e   prova    654
         HA     20 SER  HN      3.50  #     2    39570.0  e   prova   1304
         HA     33 THR  QG2     5.40  #     5M   15930.0  e   prova   2664
         HA     34 LYS+ QB      7.00  # m w 5     5405.0*2e   prova   2577
         QB     19 LYS+ QG      6.60  # mm  1    18897.5*4e   prova    646
         QB     19 LYS+ QD      6.40  # mm  1    25100.0*4e   prova    647
         QB     19 LYS+ QE      8.00  # mmw 1     3295.0*4e   prova    645
         QB     20 SER  HB2     7.00  # m w 5     7100.0*2e   prova   1969 sequence
         QG     19 LYS+ QD      6.70  # mm  1    16340.0*4e   prova    649
         QG     19 LYS+ QE      6.60  # mm  1    19095.0*4e   prova    658 LYS 19
 20 SER  
         HN     20 SER  HA      4.10  #     2    16380.0  e   prova    234
         HN     20 SER  HB2     4.60  #     2     8152.0  e   prova    238 SER 20
         HN     20 SER  HB3     4.20  #     2    13220.0  e   prova    237
         HN     21 THR  HN      4.60  #     2     8204.0  e   prova   1306
         HA     20 SER  HB2     3.90  #     2    21930.0  e   prova    233
         HA     20 SER  HB3     4.40  #     2    11190.0  e   prova    232
         HA     21 THR  HN      3.60  #     2    37930.0  e   prova   1308
         HA     21 THR  HB      5.50  #     2     2649.0  e   prova   1971
         HA     33 THR  QG2     4.60  #     5M   37750.0  e   prova   2660
 21 THR  
         HN     21 THR  HB      3.60  #     2    35190.0  e   prova    628
         HN     21 THR  QG2     4.60  #     1M   19240.0  e   prova    629
         HN     22 TRP  HN      4.60  #     2     8444.0  e   prova   1312
         HN     31 ASP- HA      4.00  #     4    10420.0  e   prova   1973
         HN     32 LEU  HA      5.60  #     4     1279.0  e   prova   2948
         HN     33 THR  HN      4.20  #     4     7083.0  e   prova   2868
         HN     33 THR  HA      4.70  #     4     4000.0  e   prova   2836
         HN     33 THR  QG2     6.80  #     5M    5162.0  e   prova   2662
         HA     21 THR  HB      5.00  #     2     4688.0  e   prova    631
         HA     21 THR  QG2     4.60  #     1M   21030.0  e   prova    635 THR 21
         HA     22 TRP  HN      4.20  #     2    13890.0  e   prova   1313
         HA     32 LEU  HN      5.40  #     4     1562.0  e   prova   2946
         HA     50 ALA  QB      6.10  #     5M    8678.0  e   prova   1983
         HB     21 THR  QG2     3.40  #   s 1M  115000.0  e   prova    634
         HB     22 TRP  HN      5.10  #     2     4225.0  e   prova   1309
         HB     32 LEU  HN      6.00  #   w 5     1752.0  e   prova   2753
         HB     33 THR  HN      6.00  #   w 5     2653.0  e   prova   2837
         HB     36 LEU  QD1     6.50  #     5M    6334.0  e   prova   1976
         QG2    22 TRP  HN      7.00  #   w 5M    3692.0  e   prova   2924
         QG2    22 TRP  HA      7.00  #   w 5M    3975.0  e   prova   1972
         QG2    36 LEU  QD2     5.80  # m   5M   29010.0  e   prova   1978
         QG2    46 LEU  HB3     5.20  #     5M   18960.0  e   prova   1979
         QG2    46 LEU  QD2     6.60  # m   5M   13910.0  e   prova   1980
         QG2    50 ALA  HA      5.50  #     5M   14420.0  e   prova   1982
         QG2    50 ALA  QB      4.40  # m s 5M  310300.0  e   prova   1985
 22 TRP  
         HN     22 TRP  HA      4.90  #     2     5557.0  e   prova    611
         HN     22 TRP  HB2     4.70 <#     2     7497.0  e   prova    613
         HN     22 TRP  HB3     5.70 >#     2     2319.0  e   prova    617
         HN     31 ASP- HA      5.00  #     4     2551.0  e   prova   2754
         HN     50 ALA  HA      4.70  #     4     3575.0  e   prova   1990
         HN     50 ALA  QB      6.70  #     5M    5488.0  e   prova   1988
         HN     51 GLY  HN      4.60  #     4     4377.0  e   prova   2942
         HA     22 TRP  HB2     4.20  #     2    14110.0  e   prova    616
         HA     22 TRP  HB3     3.70  #     2    30620.0  e   prova    618
         HA     23 VAL  HN      3.30  #     2    63430.0  e   prova   1315
         HA     23 VAL  HA      5.90  #     2     1814.0  e   prova   1318
         HA     23 VAL  QG1     7.00  #   w 5M    2067.0  e   prova   2584
         HA     31 ASP- HA      3.30  #     4    31610.0  e   prova   1987
         HA     32 LEU  HN      4.70  #     4     3749.0  e   prova   2927
         HB2    22 TRP  HE3     4.70  #     1    15990.0  e   prova   1880
         HB2    23 VAL  HN      4.80  #     2     6025.0  e   prova   1314
         HB2    29 VAL  QG1     5.30  #     5M   18400.0  e   prova   1992
         HB2    31 ASP- HA      5.80  #     5    21820.0  e   prova   1996
         HB2    33 THR  HN      6.00  #   w 5     2694.0  e   prova   2666
         HB2    51 GLY  HN      6.00  #   w 5     1865.0  e   prova   2839
         HB2    79 LEU  QD1     5.30  #     5M   17930.0  e   prova   2579
         HB3    22 TRP  HE3     4.20  #     1    33470.0  e   prova   1881
         HB3    29 VAL  QG1     4.90  #     5M   26460.0  e   prova   1991
         HE3    22 TRP  HZ3     3.70  #     1    74490.0  e   prova    626
         HE3    22 TRP  HH2     4.00  #     1    44220.0  e   prova    622
         HE3    29 VAL  QG1     4.10 <#     5M   65940.0  e   prova   1999
         HE3    29 VAL  QG2     7.00 >#   w 5M    4165.0  e   prova   2003
         HE3    76 ILE  QD1     5.10  #     5M   20990.0  e   prova   2004
         HZ3    22 TRP  HH2     4.20  #     1    31640.0  e   prova    624
         HZ3    29 VAL  QG1     5.20  #     5M   19300.0  e   prova   2000
         HZ3    76 ILE  QD1     6.90  #     5M    4570.0  e   prova   2006
         HH2    76 ILE  QD1     6.60  #     5M    5761.0  e   prova   2005
 23 VAL  
         HN     23 VAL  HA      3.90  #     2    23080.0  e   prova    239
         HN     23 VAL  HB      5.00  #     2     5113.0  e   prova    240
         HN     23 VAL  QG1     5.10 >#     1M   10270.0  e   prova    241
         HN     23 VAL  QG2     3.90 <#     1M   51060.0  e   prova    242
         HN     24 ILE  HA      4.50  #     2     9311.0  e   prova   2010
         HN     29 VAL  QG1     6.80  #     5M    5134.0  e   prova   2011
         HN     30 TYR  HN      3.40  #     4    25630.0  e   prova   2016
         HN     30 TYR  HA      5.00  #     4     2636.0  e   prova   2017
         HN     31 ASP- HA      4.60  #     4     4378.0  e   prova   2578
         HN     32 LEU  QD1     6.20  #     5M    8268.0  e   prova   2018
         HA     23 VAL  HB      3.40  #     2    54070.0  e   prova    245
         HA     23 VAL  QG1     3.90  #     1M   51060.0  e   prova    244
         HA     23 VAL  QG2     4.50  #     1M   21470.0  e   prova    243
         HA     24 ILE  HN      3.50  #     2    46580.0  e   prova   1322
         HA     24 ILE  HA      6.00  #   w 2     1424.0  e   prova   1321
         HA     32 LEU  QD1     5.60  #     5M   13690.0  e   prova   2582
         HA     50 ALA  HA      4.30  #     4     6551.0  e   prova   2019
         HA     51 GLY  HN      3.90  #     4    11990.0  e   prova   2612
         HA     52 GLY  HN      4.30  #     4     6326.0  e   prova   2020
         HB     23 VAL  QG1     4.30  #     1M   29840.0  e   prova    254
         HB     23 VAL  QG2     4.30  #     1M   28900.0  e   prova    253
         HB     24 ILE  HN      3.80  #     2    24820.0  e   prova   1323
         HB     25 LEU  QD2     7.00  #   w 5M    2109.0  e   prova   2840
         HB     29 VAL  HA      6.00  #   w 5     5112.0  e   prova   2013
         HB     54 ALA  QB      5.30  #     5M   18490.0  e   prova   2023
         QG1    24 ILE  HN      7.00  #   w 5M    3409.0  e   prova   2025
         QG1    25 LEU  QD1     6.90  # m   5M   10320.0  e   prova   2591
         QG1    30 TYR  CG      9.00 ># r w 5M    1843.5*2e   prova   2033
         QG1    32 LEU  HN      5.40  #     5M   16440.0  e   prova   2035
         QG1    32 LEU  QB      5.70  # m   5M   33730.0*2e   prova   2038
         QG1    46 LEU  HB3     5.70  #     5M   12890.0  e   prova   2041
         QG1    46 LEU  QD2     7.10  # m   5M    8970.0  e   prova   2040
         QG1    49 GLN  QB      8.00  # m w 5M    3553.5*2e   prova   2043
         QG1    49 GLN  QG      8.00  # m w 5M    3301.0*2e   prova   2044
         QG1    50 ALA  HA      4.40  #     5M   46750.0  e   prova   2046
         QG1    50 ALA  QB      6.10 <# m   5M   21310.0  e   prova   2047
         QG1    54 ALA  HA      7.00  #   w 5M    2236.0  e   prova   2052
         QG1    54 ALA  QB      5.70  # m   5M   32650.0  e   prova   2053
         QG1    63 HEM  QM3     5.10  #     5M   21680.0  e   prova   1174
         QG2    25 LEU  QD1     6.90  # m   5M   10570.0  e   prova   2026
         QG2    25 LEU  QD2     6.60  # m   5M   13610.0  e   prova   2027
         QG2    30 TYR  HN      5.50  #     5M   15060.0  e   prova   2029
         QG2    30 TYR  QB      6.80  # m   5M   10870.0*2e   prova   2031
         QG2    30 TYR  CG      8.50 <# r   5M    6475.0*2e   prova   2030
         QG2    50 ALA  QB      7.20 ># m   5M    7949.0  e   prova   2048
         QG2    54 ALA  QB      5.50  # m   5M   40030.0  e   prova   2056
         QG2    63 HEM  HAM     7.00  #   w 5M    3673.0  e   prova   1148
         QG2    63 HEM  QM3     5.80  #     5M   11430.0  e   prova   1173
 24 ILE  
         HN     24 ILE  HA      5.00  #     2     5053.0  e   prova    492
         HN     24 ILE  HB      3.90  #     2    22210.0  e   prova    496
         HN     25 LEU  HN      4.40  #     2    10540.0  e   prova   1325
         HN     29 VAL  QG1     6.10  #     5M    8751.0  e   prova   2060
         HN     53 ASP- HA      3.50  #     4    23810.0  e   prova   2757
         HN     53 ASP- HB3     6.00  #   w 5     2774.0  e   prova   3176
         HN     54 ALA  HN      4.70  #     4     3784.0  e   prova   2072
         HN     54 ALA  QB      7.00  #   w 5M    3102.0  e   prova   2842
         HA     24 ILE  HB      4.40  #     2    10300.0  e   prova    494
         HA     25 LEU  HN      3.20  #     2    72000.0  e   prova   1324
         HA     28 LYS+ HN      5.80  #     3     3431.0  e   prova   2058
         HA     29 VAL  HA      4.00  #     4     9621.0  e   prova   2064
         HA     29 VAL  QG1     7.00  #   w 5M    2609.0  e   prova   2061
         HA     29 VAL  QG2     7.00  #     5M    4382.0  e   prova   2062
         HA     30 TYR  HN      4.30  #     4     6827.0  e   prova   2066
         HA     30 TYR  CG      8.00  # r w 5     4730.0*2e   prova   2068
         HB     53 ASP- HB2     6.00  #   w 5     6877.0  e   prova   3177
         HB     53 ASP- HB3     6.00  #   w 5     3784.0  e   prova   3178
 25 LEU  
         HN     25 LEU  HA      4.50  #     2     9256.0  e   prova    499
         HN     25 LEU  QB      5.50  # i   2     5850.0*2e   prova    500
         HN     25 LEU  HG      5.20  #     1     8612.0  e   prova    504
         HN     25 LEU  QD1     6.00  #     1M    3793.0  e   prova    509
         HN     25 LEU  QD2     6.30  #     1M    2850.5  e   only800 3182
         HN     28 LYS+ HN      5.50  #     3     4675.0  e   prova   2755
         HN     30 TYR  CG      8.00  # r w 5     8065.0*2e   prova   2077
         HN     30 TYR  CZ      8.00  # r w 5    11890.0*2e   prova   2075
         HA     25 LEU  QB      5.60  # m   2     8465.0*2e   prova    501
         HA     25 LEU  QD1     3.90 <#     1M   53320.0  e   prova    510
         HA     25 LEU  QD2     5.90 >#     1M    4391.0  e   prova    516
         HA     26 HIS  HN      3.50  #     2    45580.0  e   prova   1329
         HA     26 HIS  HA      5.40  #     2     2929.0  e   prova   1328
         HA     55 THR  HA      4.70  #     4     3775.0  e   prova   2595
         HA     55 THR  QG2     6.90  #     5M    4698.0  e   prova   2080
         QB     25 LEU  HG      4.90  # m   1    50950.0*2e   prova    506
         QB     25 LEU  QD1     6.40 ># m   1M    7420.0*2e   prova    514
         QB     25 LEU  QD2     5.60 <# m   1M   20210.0*2e   prova    522
         QB     30 TYR  CG      9.00  # mrw 5      821.8*4e   prova   2078
         HG     25 LEU  QD1     3.70  #     1M   73820.0  e   prova    512
         HG     25 LEU  QD2     3.70  #     1M   72420.0  e   prova    518
         HG     30 TYR  CG      8.00  # r w 5     7240.0*2e   prova   2086
         HG     30 TYR  CZ      8.00  # r w 5     3142.5*2e   prova   2087
         QD1    26 HIS  HN      7.00  #   w 5M    2906.0  e   prova   2623
         QD1    54 ALA  HN      6.00  #     5M    9768.0  e   prova   2090
         QD1    54 ALA  HA      7.00  #   w 5M    3368.0  e   prova   2094
         QD1    54 ALA  QB      5.30 <# m   5M   48490.0  e   prova   2092
         QD1    55 THR  HN      6.50  #     5M    6161.0  e   prova   2095
         QD1    55 THR  HA      4.90 <#     5M   25920.0  e   prova   2096
         QD1    57 ASN  HA      7.00  #   w 5M    1879.0  e   prova   2624
         QD1    58 PHE  HN      6.60  #     5M    5968.0  e   prova   2618
         QD1    58 PHE  HA      7.00  #   w 5M    1760.5  e   only800 3186
         QD1    58 PHE  QB      7.10 <# m   5M    8895.0*2e   prova   2101
         QD1    59 GLU- QG      8.00  # m w 5M    3994.5*2e   prova   2104
         QD1    63 HEM  HAM     6.60  #     5M    5710.0  e   prova   1149
         QD1    63 HEM  QM3     4.60  #     5M   37810.0  e   prova   1178
         QD2    30 TYR  CG      9.00  # r w 5M    3281.5*2e   prova   2082
         QD2    30 TYR  CZ      8.50  # r   5M    6345.0*2e   prova   2083
         QD2    54 ALA  QB      8.00 ># m w 5M    3457.0  e   prova   2843
         QD2    55 THR  HA      7.00 >#   w 5M    3876.0  e   prova   2099
         QD2    58 PHE  QB      8.00 ># m w 5M    2228.5*2e   prova   2844
         QD2    63 HEM  HV2A    6.90  #     5M    4624.0  e   prova   1170
         QD2    63 HEM  HV2T    6.10  #     5M    8722.0  e   prova   2530
         QD2    63 HEM  HV2C    5.60  #     5M   13190.0  e   prova   1171
         QD2    63 HEM  HAM     5.60  #     5M   13070.0  e   prova   1150
         QD2    63 HEM  QM3     5.10  #     5M   21000.0  e   prova   1177
 26 HIS  
         HN     26 HIS  HA      3.10  #     2    85560.0  e   prova    528
         HN     26 HIS  QB      5.80  # i   2     3695.0*2e   prova    525
         HN     27 HIS  HN      4.20  #     2    13710.0  e   prova   1333
         HN     55 THR  HA      4.70  #     4     3996.0  e   prova   2108
         HN     55 THR  QG2     4.40  #     5M   46880.0  e   prova   2105
         HA     26 HIS  QB      4.80  # m   2    24410.0*2e   prova    527
         HA     27 HIS  HN      4.30  #     2    13140.0  e   prova   1331
         HA     27 HIS  HA      4.50  #     2     9910.0  e   prova   1335
         HA     55 THR  QG2     4.90  #     5M   27760.0  e   prova   2109
         QB     27 HIS  HN      5.90  # m   2     5735.0*2e   prova   1336
         QB     55 THR  QG2     8.00  # m w 5M    2325.0*2e   prova   2111
 27 HIS  
         HN     27 HIS  HA      3.10  #     2    82630.0  e   prova    530
         HN     27 HIS  HE1     6.00  #   w 1     2277.0  e   prova   3002
         HN     28 LYS+ HN      4.80  #     2     6216.0  e   prova   1338
         HN     55 THR  HA      4.40  #     4     5934.0  e   prova   2112
         HA     27 HIS  QB      5.80  # m   2     6060.0*2e   prova    532
         HA     79 LEU  QD1     4.30 <#     5M   53390.0  e   prova   2117
         HA     79 LEU  QD2     7.00 >#   w 5M    3750.0  e   prova   2115
         HA     87 ILE  QG1     5.60  # m   5    65750.0*2e   prova   2118
         QB     27 HIS  HD2     5.70  # m   1    17095.0*2e   prova    534
         QB     28 LYS+ QE      8.00  # mmw 5     3217.5*4e   prova   2845
         QB     78 GLU- QB      8.00  # mmw 5     1904.0*4e   prova   3001
         HD2    27 HIS  HE1     3.00  #     1   229500.0  e   prova    537 HIS 27
         HD2    79 LEU  QD1     7.00 >#   w 5M    2217.0  e   prova   3021
         HD2    79 LEU  QD2     6.00 <#     5M    9563.0  e   prova   3019
         HE1    84 ARG+ QB      7.00  # m w 5     3608.0*2e   prova   3057
         HE1    84 ARG+ QD      7.00  # m w 5     2238.0*2e   prova   2596
 28 LYS+ 
         HN     28 LYS+ HA      3.30  #     2    58990.0  e   prova    538
         HN     28 LYS+ QB      4.80  # i   2    14805.0*2e   prova    560 LYS 28(A)
         HN     28 LYS+ QG      5.60  # m   1    18805.0*2e   prova    540
         HN     28 LYS+ QD      7.00  # m w 1     2320.5*2e   prova    541
         HN     29 VAL  HA      5.30  #     2     3584.0  e   prova   2122
         HN     30 TYR  CZ      8.00  # r w 5     4282.0*2e   prova   2127
         HN     78 GLU- HA      4.10  #     4     8195.0  e   prova   2951
         HA     28 LYS+ QB      5.10  # m   2    15850.0*2e   prova    544
         HA     28 LYS+ QG      5.00  # i   1    23915.0*2e   prova    543
         HA     28 LYS+ QD      5.70  # m   1    16640.0*2e   prova    542
         HA     28 LYS+ QE      6.70  # m   1     4910.0*2e   prova    545
         HA     29 VAL  HN      3.80  #     2    25660.0  e   prova   1341
         HA     29 VAL  QG2     6.00  #     5M    9619.0  e   prova   2120
         HA     77 GLY  HN      4.90  #     4     2858.0  e   prova   2987
         HA     78 GLU- HA      3.30  #     4    33740.0  e   prova   2130
         HA     78 GLU- QB      7.00  # m w 5     1975.0*2e   prova   3004
         HA     78 GLU- QG      7.00  # m w 5     9310.0*2e   prova   2134
         QB     28 LYS+ QG      5.80  # mm  1    61525.0*4e   prova    549
         QB     28 LYS+ QD      7.00  # mm  1    11127.5*4e   prova    557
         QB     29 VAL  HN      5.40  # m   2    10825.0*2e   prova   1342
         QB     29 VAL  QG2     8.00  # m w 5M    2442.0*2e   prova   2123
         QB     30 TYR  CG      9.00  # mrw 5     1095.0*4e   prova   2128
         QB     30 TYR  CZ      9.00  # mrw 5    12167.5*4e   prova   2124
         QB     75 ILE  QG2     8.00  # m w 5M    1551.0*2e   prova   2929
         QB     78 GLU- HA      6.30  # m   5    32740.0*2e   prova   2129
         QG     28 LYS+ QE      7.20  # mm  1     8940.0*4e   prova    552
         QG     30 TYR  CZ      9.00  # mrw 5     1486.8*4e   prova   2171
         QG     78 GLU- HA      7.00  # m w 5     2227.5*2e   prova   3003
         QG     78 GLU- QG      8.00  # mmw 5     1069.2*4e   prova   2846
         QD     28 LYS+ QE      7.30  # mm  1     7465.0*4e   prova    551
         QD     30 TYR  CZ      9.00  # mrw 5     3440.0*4e   prova   2136
         QD     75 ILE  QG2     8.00  # m w 5M    2573.5*2e   prova   2930
         QD     75 ILE  QG1     8.00  # mmw 5    16555.0*4e   prova   2137
         QD     78 GLU- HA      7.00  # m w 5     1035.5*2e   prova   2869
         QD     78 GLU- QG      8.00  # mmw 5     1237.0*4e   prova   3005
 29 VAL  
         HN     29 VAL  HB      4.10  #     2    16230.0  e   prova    561
         HN     29 VAL  QG1     5.80 >#     1M    5015.0  e   prova    563
         HN     29 VAL  QG2     4.90 <#     1M   13120.0  e   prova    562
         HN     77 GLY  HN      4.10  #     4     8402.0  e   prova   2950
         HA     29 VAL  HB      4.40  #     2    11190.0  e   prova    566
         HA     29 VAL  QG1     4.40  #     1M   26620.0  e   prova    564
         HA     29 VAL  QG2     4.70  #     1M   18460.0  e   prova    565
         HA     30 TYR  HN      3.50  #     2    41750.0  e   prova   1345
         HA     30 TYR  CG      8.00  # r w 5    11370.0*2e   prova   2636
         HA     79 LEU  QD2     6.20  #     5M    8293.0  e   prova   2642
         HB     29 VAL  QG1     3.40  #   s 1M  136300.0  e   prova    573
         HB     29 VAL  QG2     3.50  #     1M  100800.0  e   prova    574
         HB     75 ILE  QG1     7.00  # m w 5     1269.5*2e   prova   2139
         HB     76 ILE  HG13    6.00  #   w 5     3087.0  e   prova   2141
         HB     76 ILE  QD1     6.10  #     5M    8768.0  e   prova   2140
         HB     77 GLY  HN      5.70  #     5    23040.0  e   prova   2142
         HB     77 GLY  HA1     6.00  #   w 5     9743.0  e   prova   2144
         QG1    30 TYR  HN      4.70  #     5M   34250.0  e   prova   2146
         QG1    31 ASP- HA      7.00  #   w 5M    2145.0  e   prova   1693
         QG1    76 ILE  QG2     7.30  # m   5M    7347.0  e   prova   2640
         QG1    76 ILE  HG13    5.30  #     5M   18250.0  e   prova   2150
         QG1    76 ILE  QD1     4.80  # m   5M   93050.0  e   prova   2148
         QG1    77 GLY  HN      6.40 <#     5M    6810.0  e   prova   2152
         QG1    77 GLY  HA2     5.80  #     5M   10910.0  e   prova   2153
         QG1    78 GLU- HA      7.00 >#   w 5M    2355.0  e   prova   3006
         QG1    79 LEU  QB      8.00  # m w 5M    2835.0*2e   prova   3023
         QG1    79 LEU  QD1     7.30  # m   5M    7723.0  e   prova   2158
         QG1    79 LEU  QD2     7.60  # m   5M    5934.0  e   prova   3025
         QG2    77 GLY  HN      7.00 >#   w 5M    1967.0  e   prova   2990
         QG2    77 GLY  HA1     7.00  #   w 5M    3592.0  e   prova   2847
         QG2    77 GLY  HA2     5.80  #     5M   11240.0  e   prova   2154
         QG2    78 GLU- HN      6.80  #     5M    5242.0  e   prova   2643
         QG2    78 GLU- HA      5.00 <#     5M   23210.0  e   prova   2155
 30 TYR  
         HN     30 TYR  HA      5.00  #     2     5114.0  e   prova     91
         HN     30 TYR  QB      4.90  # i   2    12900.0*2e   prova     89
         HN     30 TYR  CG      6.80  # r   1    15205.0*2e   prova     92
         HN     31 ASP- HN      3.90  #     2    23690.0  e   prova   1346
         HN     31 ASP- HA      4.60  #     2     8330.0  e   prova   2162
         HN     31 ASP- HB3     6.00  #   w 2     1468.0  e   prova   2160
         HA     30 TYR  QB      6.70  # m   2     2135.5*2e   prova     96
         HA     30 TYR  CG      7.00  # m w 1     2125.5*2e   prova     99
         HA     31 ASP- HN      3.40  #     2    47320.0  e   prova   1348
         HA     75 ILE  HA      3.80  #     4    12740.0  e   prova   2849
         HA     76 ILE  HN      3.90  #     4    11250.0  e   prova   2164
         HA     76 ILE  QG2     6.50  #     5M    6507.0  e   prova   2165
         QB     30 TYR  CG      8.20  # mr  1     9230.0*4e   prova     93
         QB     32 LEU  QD1     6.40  # m   5M   16795.0*2e   prova   2588
         QB     74 TYR  CG      9.00  # mrw 5     1495.0*4e   prova   2850
         CG     30 TYR  CZ      8.90  # rr  1    12707.5*4e   prova     94
         CG     63 HEM  HV2C    8.00  # r w 5     2846.0*2e   prova   2592
         CG     74 TYR  QB      9.00  # rmw 5     6160.0*4e   prova   2173
         CZ     71 SER  HA      8.00  # r w 5     4828.0*2e   prova   2169
         CZ     74 TYR  CG     10.00  # rrw 5     9220.0*4e   prova   2176
         CZ     75 ILE  QG1     9.00  # rmw 5     2685.0*4e   prova   2177
 31 ASP- 
         HN     31 ASP- HA      3.90  #     2    22000.0  e   prova    584
         HN     31 ASP- HB2     3.50 <#     2    45840.0  e   prova    579
         HN     31 ASP- HB3     5.80 >#     2     1909.0  e   prova   2954
         HN     74 TYR  QB      7.00  # m w 5     3709.0*2e   prova   2621
         HN     74 TYR  CG      8.00  # r w 5     2489.0*2e   prova   2179
         HN     75 ILE  HN      4.80  #     4     3370.0  e   prova   2955
         HN     75 ILE  HA      5.00  #     4     2476.0  e   prova   2752
         HN     76 ILE  QG2     4.50  #     5M   40000.0  e   prova   2182
         HN     76 ILE  HG13    6.00  #   w 5     5774.0  e   prova   2181
         HN     76 ILE  QD1     6.90  #     5M    4785.0  e   prova   2185
         HA     31 ASP- HB2     4.20  #     2    15060.0  e   prova    583
         HA     31 ASP- HB3     4.50  #     2     9166.0  e   prova    588 ASP 31
         HA     32 LEU  HN      3.90  #     2    21760.0  e   prova   1350
         HA     32 LEU  QD1     7.00  #   w 5M    3724.0  e   prova   2587
         HA     76 ILE  QD1     7.00  #   w 5M    2823.0  e   prova   2187
         HB2    32 LEU  HN      5.40  #     2     3100.0  e   prova   1351
         HB2    76 ILE  QG2     4.20  #     5M   57850.0  e   prova   2188
         HB2    76 ILE  HG13    6.00  #   w 5     2344.0  e   prova   2871
         HB2    76 ILE  QD1     5.70  #     5M   12000.0  e   prova   1998
         HB3    32 LEU  HN      5.10  #     2     4628.0  e   prova   1354
 32 LEU  
         HN     32 LEU  HA      3.60  #     2    35440.0  e   prova    594
         HN     32 LEU  QB      4.50  # i   2    20780.0*2e   prova    596
         HN     32 LEU  HG      4.00  #     1    42540.0  e   prova    590
         HN     32 LEU  QD1     4.30  #     1M   28920.0  e   prova    597
         HN     32 LEU  QD2     4.70  #     1M   18380.0  e   prova    593
         HA     32 LEU  HG      4.90  #     1    12910.0  e   prova    599
         QB     32 LEU  HG      5.10  # m   1    39175.0*2e   prova    610
         QB     32 LEU  QD1     4.60  # m   1M   90200.0*2e   prova    609
         QB     32 LEU  QD2     4.50  # m   1M  106500.0*2e   prova    604
         QB     46 LEU  QD2     8.00  # m w 5M    1055.5*2e   prova   2872
         QB     74 TYR  CG      9.00  # mrw 5      675.8*4e   prova   2873
         HG     32 LEU  QD1     5.50 >#     1M    6791.0  e   prova    602
         HG     32 LEU  QD2     4.20 <#     1M   34650.0  e   prova    608
         QD1    35 PHE  HB3     4.80  #     5M   29360.0  e   prova   2194
         QD1    36 LEU  QD1     5.50  # m   5M   42470.0  e   prova   2561
         QD2    46 LEU  HN      5.70  #     5M   12160.0  e   prova   2196
 33 THR  
         HN     33 THR  HA      4.00  #     2    18520.0  e   prova   2649
         HN     33 THR  HB      4.50  #     2     9786.0  e   prova   2648
         HN     33 THR  QG2     5.30  #     1M    8416.0  e   prova   2650
         HA     33 THR  HB      4.60  #     2     8133.0  e   prova   2651
         HA     33 THR  QG2     3.90  #     1M   50390.0  e   prova   2655
         HA     36 LEU  HN      6.00  #   w 3     2581.0  e   prova   2730
         HA     36 LEU  QB      7.00  # m w 3     1259.5*2e   prova   2907
         HB     33 THR  QG2     4.00  #     1M   43970.0  e   prova   2657
         QG2    34 LYS+ HN      7.00  #   w 5M    2306.0  e   prova   2659
 34 LYS+ 
         HN     34 LYS+ HA      3.70  #     2    29210.0  e   prova    470
         HN     34 LYS+ QB      4.50  # i   2    23725.0*2e   prova    472
         HN     34 LYS+ QG      6.80  # m   1     4626.5*2e   prova    486
         HN     34 LYS+ QD      6.20  # m   1     9190.0*2e   prova    473
         HN     34 LYS+ QE      5.60  # m   1    17950.0*2e   prova    471
         HN     35 PHE  HN      4.50  #     2     9631.0  e   prova   1356
         HN     36 LEU  HN      6.00  #   w 3     1811.0  e   prova   2733
         HN     38 GLU- HN      6.00  #     3     2741.0  e   prova   2910
         HA     34 LYS+ QB      5.40  # m   2    10675.0*2e   prova    475
         HA     34 LYS+ QG      4.90  # i   1    27540.0*2e   prova    487
         HA     34 LYS+ QD      5.90  # m   1    12125.0*2e   prova    474
         HA     35 PHE  HN      4.60  #     2     8643.0  e   prova   1357
         HA     36 LEU  HN      6.00  #     3     2752.0  e   prova   2875
         HA     37 GLU- HN      6.00  #   w 3     1901.0  e   prova   2908
         HA     37 GLU- HB2     4.90  #     3     9191.0  e   prova   2731
         QB     34 LYS+ QG      6.80  # mm  1    14412.5*4e   prova    491 LYS 34(A)
         QB     34 LYS+ QD      6.60  # mm  1    17400.0*4e   prova    481
         QB     34 LYS+ QE      8.00  # mmw 1     2166.2*4e   prova    485
         QB     35 PHE  CG      9.00  # mrw 5     2892.5*4e   prova   2198
         QB     37 GLU- HN      7.00  # m w 3     1434.0*2e   prova   2909
         QG     34 LYS+ QD      5.70  # mm  1    65875.0*4e   prova    490
         QD     34 LYS+ QE      8.00  # mmw 1     1034.5*4e   prova    480
 35 PHE  
         HN     35 PHE  HA      4.40  #     2    10520.0  e   prova    459
         HN     35 PHE  HB2     3.70  #     2    29630.0  e   prova    461
         HN     35 PHE  HB3     3.40  #     2    55640.0  e   prova    460
         HN     35 PHE  CG      7.80  # r   1     4542.5*2e   prova   2199
         HN     36 LEU  HN      3.40  #     2    47780.0  e   prova   1367
         HN     36 LEU  HG      6.00  #   w 5    11740.0  e   prova   2200
         HA     35 PHE  HB2     5.10  #     2     4197.0  e   prova    468
         HA     35 PHE  HB3     5.00  #     2     4921.0  e   prova    469 PHE 35(A)
         HA     35 PHE  CG      6.10  # m   1    10060.0*2e   prova   2193
         HA     36 LEU  HN      5.00  #     2     4769.0  e   prova   1368
         HA     38 GLU- HN      6.00  #   w 3     2407.0  e   prova   2911
         HA     38 GLU- HB2     5.80  #     3     3434.0  e   prova   2912
         HA     39 HIS  HN      6.00  #   w 3     1702.0  e   prova   2913
         HB2    35 PHE  CG      6.30 <# r   1    28620.0*2e   prova   2190
         HB2    36 LEU  HN      4.00  #     2    19000.0  e   prova   1369
         HB2    39 HIS  HB2     6.00  #   w 5     2014.0  e   prova   2201
         HB2    74 TYR  CZ      8.00  # r w 5     1332.5*2e   prova   2691
         HB3    35 PHE  CG      7.60 ># r   1     5670.0*2e   prova   2688
         CG     35 PHE  CZ     10.00  # rrw 1     3415.0*4e   prova    228 PHE 35(A) parte aromatica
         CG     35 PHE  HZ      5.90  # r   1    48090.0*2e   prova    226
         CG     36 LEU  QB      9.00  # rmw 5     2885.0*4e   prova   2204
         CG     38 GLU- HB3     8.00  # r w 5     1512.5*2e   prova   2205
         CG     39 HIS  HB3     8.00  # r w 5      955.0*2e   prova   2215
         CG     40 PRO  QG      9.00  # rmw 5     1062.0*4e   prova   2219
         CG     46 LEU  QD1     8.10  # r   5M    8765.0*2e   prova   2226
         CG     46 LEU  QD2     8.90  # r   5M    4672.5*2e   prova   2225
         CG     63 HEM  QM1     9.00  # r w 5M    1863.5*2e   prova   1198
         CG     70 LEU  QD2     9.00  # r w 5M    3900.5*2e   prova   2877
         CG     74 TYR  CZ     10.00  # rrw 5     1206.8*4e   prova   2690
         CZ     35 PHE  HZ      6.10  # r   1    38195.0*2e   prova    225
         CZ     39 HIS  HA      8.00  # r w 5    12325.0*2e   prova   2210
         CZ     39 HIS  HB2     8.00  # r w 5     5095.0*2e   prova   2207
         CZ     40 PRO  HA      8.00  # r w 5     2825.5*2e   prova   1196
         CZ     40 PRO  QG      9.00  # rmw 5     2070.2*4e   prova   2218
         CZ     40 PRO  HD2     8.00  # r w 5    16980.0*2e   prova   2221
         CZ     46 LEU  QD1     9.00  # r w 5M    1875.0*2e   prova   2931
         CZ     63 HEM  HDM     8.00  # r w 5     8525.0*2e   prova   1164
         CZ     63 HEM  QM1     8.50  # r   5M    6130.0*2e   prova   1202
         CZ     70 LEU  HG      8.00  # r w 5     3761.0*2e   prova   2233
         HZ     39 HIS  HA      6.00  #   w 5     6259.0  e   prova   2212
         HZ     39 HIS  HB3     6.00  #   w 5     1069.0  e   prova   2214
         HZ     40 PRO  QG      7.00  # m w 5     2289.5*2e   prova   2224
         HZ     40 PRO  HD2     5.20  #     5    39120.0  e   prova   2222
         HZ     46 LEU  QD1     6.40  #     5M    6678.0  e   prova   2230
         HZ     46 LEU  QD2     6.80  #     5M    4925.0  e   prova   2229
         HZ     63 HEM  HDM     6.00  #   w 5     4556.0  e   prova   1163
         HZ     63 HEM  QM1     5.60  #     5M   13040.0  e   prova   1200
         HZ     70 LEU  HG      6.00  #   w 5     6371.0  e   prova   2235
         HZ     74 TYR  CZ      8.00  # r w 5     1417.0*2e   prova   2689
 36 LEU  
         HN     36 LEU  HA      3.50  #     2    42780.0  e   prova    384
         HN     36 LEU  QB      4.30  # i   2    30745.0*2e   prova    386
         HN     36 LEU  HG      3.80  #     1    56350.0  e   prova    385
         HN     36 LEU  QD1     4.90  #     1M   14340.0  e   prova    387
         HN     36 LEU  QD2     4.90  #     1M   12950.0  e   prova    388
         HN     37 GLU- HN      3.80  #     2    24320.0  e   prova   1372
         HN     46 LEU  QD1     7.00  #   w 5M    3995.0  e   prova   2241
         HA     36 LEU  QB      5.60  # m   2     7810.0*2e   prova    401
         HA     36 LEU  HG      3.60  #     1    86230.0  e   prova   1361
         HA     36 LEU  QD1     5.20 >#     1M    8967.0  e   prova    402
         HA     36 LEU  QD2     3.90 <#     1M   52650.0  e   prova    389
         HA     37 GLU- HN      5.20  #     2     4107.0  e   prova   1373
         HA     37 GLU- HA      5.10  #     2     4419.0  e   prova   1378
         HA     39 HIS  HN      5.90  #     3     3141.0  e   prova   2735
         HA     39 HIS  HB2     5.90  #     3     2906.0  e   prova   2736
         HA     43 GLU- HA      4.20  #     4     7125.0  e   prova   3101
         HA     43 GLU- QG      7.00  # m w 5     2920.0*2e   prova   3103
         HA     46 LEU  QD1     4.40  #     5M   44990.0  e   prova   2237
         QB     36 LEU  HG      4.50  # m   1    99100.0*2e   prova   1365 LEU 36(A)other
         QB     36 LEU  QD1     5.30 <# m   1M   31360.0*2e   prova    404
         QB     36 LEU  QD2     6.20 ># m   1M    9275.0*2e   prova    406 LEU 36(A)
         QB     37 GLU- HN      5.30  # m   2    11960.0*2e   prova   1375
         QB     46 LEU  QD1     7.50  # m   5M    6160.0*2e   prova   2240
         HG     36 LEU  QD1     3.80  #     1M   62440.0  e   prova   1363
         HG     36 LEU  QD2     4.00  #     1M   43080.0  e   prova    396
         QD1    46 LEU  HB2     5.30  #     5M   18350.0  e   prova   2251
         QD1    46 LEU  QD1     6.10  # m   5M   21260.0  e   prova   2252
         QD2    43 GLU- HA      5.30  #     5M   17690.0  e   prova   2243
         QD2    43 GLU- QG      7.60  # m   5M    5920.0*2e   prova   2245
         QD2    46 LEU  HA      7.00  #   w 5M    3331.0  e   prova   2249
         QD2    46 LEU  HB2     4.70  #     5M   31950.0  e   prova   2248
         QD2    46 LEU  HB3     4.90  #     5M   27800.0  e   prova   2247
         QD2    46 LEU  QD1     5.10  # m   5M   61980.0  e   prova   2253
         QD2    47 ARG+ HN      7.00  #   w 5M    2879.0  e   prova   2256
 37 GLU- 
         HN     37 GLU- HA      3.90  #     2    22840.0  e   prova    367
         HN     37 GLU- HB2     4.20 >#     2    13680.0  e   prova    369
         HN     37 GLU- HB3     3.50 <#     2    41800.0  e   prova    370
         HN     37 GLU- QG      5.70  # m   1    17235.0*2e   prova    368
         HN     38 GLU- HN      3.80  #     2    24590.0  e   prova   1379
         HN     39 HIS  HN      6.00  #     3     2858.0  e   prova   2260
         HN     43 GLU- QG      7.00  # m w 5     1668.5*2e   prova   2262
         HA     37 GLU- HB2     2.80  #     2   158400.0  e   prova    375
         HA     37 GLU- QG      4.80  # i   1    32855.0*2e   prova    376
         HA     38 GLU- HN      4.70  #     2     6900.0  e   prova   1381
         HA     38 GLU- HA      4.80  #     2     6058.0  e   prova   1383
         HA     39 HIS  HN      5.40  #     3     5397.0  e   prova   2258
         HB2    37 GLU- QG      4.10 <# m   1   217950.0*2e   prova    383 GLU 37(A)
         HB2    38 GLU- HN      5.10 >#     2     4175.0  e   prova   1385
         HB3    37 GLU- QG      5.30 ># m   1    26740.0*2e   prova    382
         HB3    38 GLU- HN      4.30 <#     2    12250.0  e   prova   1388
 38 GLU- 
         HN     38 GLU- HA      4.70  #     2     7281.0  e   prova    407
         HN     38 GLU- HB2     4.70  #     2     7291.0  e   prova    408
         HN     38 GLU- HB3     5.20  #     2     3896.0  e   prova    415
         HN     39 HIS  HN      4.20  #     2    14620.0  e   prova   1390
         HA     38 GLU- HB2     3.70 <#     2    28680.0  e   prova    411
         HA     38 GLU- HB3     5.40 >#     2     3226.0  e   prova    416
         HA     39 HIS  HN      4.70  #     2     7608.0  e   prova   1391
         HB3    39 HIS  HN      5.00  #     2     5077.0  e   prova   2265
         HB3    39 HIS  HA      4.80  #     2     6394.0  e   prova   2823
 39 HIS  
         HN     39 HIS  HA      4.30  #     2    12710.0  e   prova    279
         HN     39 HIS  HB2     4.20  #     2    13820.0  e   prova    280
         HN     39 HIS  HB3     3.80  #     2    24980.0  e   prova    281
         HA     39 HIS  HB2     4.80  #     2     5936.0  e   prova    283
         HA     39 HIS  HB3     4.40  #     2    10020.0  e   prova    282
         HA     40 PRO  HD2     5.60  #     5    26010.0  e   prova   1591
         HA     40 PRO  HD3     5.30  #     5    33440.0  e   prova   1588
         HA     42 GLY  HN      6.00  #   w 3     1535.0  e   prova   3097
         HA     46 LEU  QD1     7.00  #   w 5M    2139.0  e   prova   2684
         HB2    40 PRO  HD3     6.00  #   w 5     1852.0  e   prova   2686
         HB2    41 GLY  HN      6.00  #   w 3     2566.0  e   prova   3091
         HB2    42 GLY  HA2     6.00  #   w 3     2329.0  e   prova   3096
         HB2    46 LEU  QD1     6.10  #     5M    8700.0  e   prova   2274
         HB3    40 PRO  HD3     6.00  #   w 5     1920.0  e   prova   2822
         HB3    46 LEU  QD1     5.90  #     5M   10200.0  e   prova   2270
 40 PRO  
         HA     40 PRO  QB      6.40  # m   2     2953.5*2e   prova   1064
         HA     40 PRO  QG      5.40  # i   1    13515.0*2e   prova   1065
         HA     40 PRO  HD2     4.60  #     1    18790.0  e   prova   1063
         HA     40 PRO  HD3     4.10  #     1    39750.0  e   prova   1066
         HA     41 GLY  HN      5.30  #     2     3274.0  e   prova   1393
         HA     41 GLY  HA2     4.90  #     2     5344.0  e   prova   1395
         QB     40 PRO  HD2     5.40 <# m   1    24670.0*2e   prova   1072
         QB     40 PRO  HD3     6.60 ># m   1     5815.0*2e   prova   1061
         QB     41 GLY  HA1     6.00  # m   2     4749.5*2e   prova   2263
         QG     40 PRO  HD2     6.80  # m   1     4543.5*2e   prova   1071
         QG     41 GLY  HA2     7.00  # m w 5     4559.5*2e   prova   2276
 41 GLY  
         HN     41 GLY  HA1     4.30 >#     2    12610.0  e   prova    437
         HN     41 GLY  HA2     3.40 <#     2    50800.0  e   prova    436
         HA1    45 VAL  QG2     7.00  #   w 5M    3268.0  e   prova   3095
         HA1    63 HEM  QM5     7.00  #   w 5M    1899.0  e   prova   1184
         HA2    45 VAL  HB      5.60  #     3     4316.0  e   prova   2792
         HA2    45 VAL  QG2     5.30  #     5M   18410.0  e   prova   2279
 42 GLY  
         HN     42 GLY  HA1     3.40  #     2    47660.0  e   prova    257
         HN     42 GLY  HA2     3.50  #     2    44800.0  e   prova    260
         HN     43 GLU- HN      4.40  #     2    10560.0  e   prova   1397
         HA1    43 GLU- HN      4.10  #     2    15320.0  e   prova   1399
         HA1    44 GLU- QB      7.00  # m w 3      888.5*2e   prova   3099
         HA2    43 GLU- HN      3.90  #     2    23590.0  e   prova   1400
         HA2    43 GLU- HB2     5.60  #     2     2590.0  e   prova   3098
 43 GLU- 
         HN     43 GLU- HA      4.10  #     2    16790.0  e   prova    419
         HN     43 GLU- HB2     4.00  #     2    17870.0  e   prova    420
         HN     43 GLU- HB3     4.00  #     2    19990.0  e   prova    421
         HN     43 GLU- QG      6.50  # m   1     6430.0*2e   prova   1434
         HN     45 VAL  HN      6.00  #     3     2760.0  e   prova   3162
         HA     43 GLU- HB2     3.70  #     2    29080.0  e   prova    425
         HA     43 GLU- HB3     4.00  #     2    18450.0  e   prova    426
         HA     43 GLU- QG      6.20  # i   1     5730.0*2e   prova    427
         HA     44 GLU- HN      4.90  #     2     5401.0  e   prova   1403
         HA     44 GLU- HA      5.20  #     2     3750.0  e   prova   1407
         HA     46 LEU  HB2     5.10  #     3     7101.0  e   prova   2284
         HA     46 LEU  HB3     5.60  #     3     3970.0  e   prova   2283
         HA     46 LEU  QD1     6.20  #     5M    7973.0  e   prova   2281
         HA     47 ARG+ HN      6.00  #   w 3     2294.0  e   prova   3108
         HB2    43 GLU- QG      5.70 ># m   1    16230.0*2e   prova    430
         HB2    44 GLU- HN      5.00  #     2     5035.0  e   prova   1406
         HB2    46 LEU  QD1     7.00  #   w 5M    1565.0  e   prova   3106
         HB2    47 ARG+ HA      4.50  #     3    16420.0  e   prova   2288
         HB3    43 GLU- QG      4.70 <# m   1    66000.0*2e   prova    429
         HB3    44 GLU- HN      5.40  #     2     3152.0  e   prova   1405
         QG     44 GLU- HN      7.00  # m w 5     3419.5*2e   prova   3104
         QG     44 GLU- HA      6.80  # m   5    22115.0*2e   prova   2287
         QG     46 LEU  QD1     8.00  # m w 5M    1511.5*2e   prova   3107
 44 GLU- 
         HN     44 GLU- HA      3.80  #     2    24600.0  e   prova    290
         HN     44 GLU- QB      4.10  # i   2    40890.0*2e   prova    292
         HN     44 GLU- QG      6.70  # m   1     5050.0*2e   prova    291
         HN     45 VAL  HN      4.30  #     2    12590.0  e   prova   1410
         HN     45 VAL  QG2     7.00  #   w 5M    1255.0  e   prova   2852
         HN     46 LEU  HN      5.40  #     3     5025.0  e   prova   3164
         HN     47 ARG+ HN      6.00  #     3     2830.0  e   prova   3113
         HA     44 GLU- QB      4.70  # m   2    29590.0*2e   prova    293
         HA     44 GLU- QG      5.80  # i   1     8695.0*2e   prova    294
         HA     45 VAL  HN      4.60  #     2     7799.0  e   prova   1411
         HA     46 LEU  HN      5.80  #     3     3305.0  e   prova   3112
         HA     47 ARG+ HN      4.90  #     3     9752.0  e   prova   2293
         HA     47 ARG+ QB      5.20  # m   3    24875.0*2e   prova   2291
         HA     48 GLU- HN      5.10  #     3     7668.0  e   prova   2738
         HA     48 GLU- HB3     4.30  #     3    21830.0  e   prova   2295
         HA     48 GLU- QG      7.00  # m w 5     3450.5*2e   prova   2853
         QB     44 GLU- QG      7.00  # mm  1    10842.5*4e   prova    296
         QB     45 VAL  HN      5.00  # m   2    20080.0*2e   prova   1413
         QB     45 VAL  HA      7.00  # m w 2     1230.5*2e   prova   3115
         QB     47 ARG+ QB      8.00  # mmw 5     1127.2*4e   prova   3114
         QG     45 VAL  HN      7.00  # m w 5     1043.5*2e   prova   3109
 45 VAL  
         HN     45 VAL  HA      3.70  #     2    29530.0  e   prova    316
         HN     45 VAL  HB      3.90  #     2    22390.0  e   prova    302
         HN     45 VAL  QG1     4.00  #     1M   49970.0  e   prova    303
         HN     45 VAL  QG2     4.00  #     1M   49010.0  e   prova    304
         HN     46 LEU  HN      3.70  #     2    28610.0  e   prova   1415
         HN     47 ARG+ HN      5.50  #     3     4922.0  e   prova   2739
         HA     45 VAL  HB      3.20  #     2    67840.0  e   prova    307
         HA     45 VAL  QG1     3.80  #     1M   64030.0  e   prova    314
         HA     45 VAL  QG2     4.10  #     1M   41900.0  e   prova    305
         HA     46 LEU  HN      5.20  #     2     3959.0  e   prova   1418
         HA     46 LEU  HA      6.00  #   w 2     1508.0  e   prova   1421
         HA     47 ARG+ HN      6.00  #     3     2726.0  e   prova   3166
         HB     45 VAL  QG1     3.50  #     1M  104100.0  e   prova    313
         HB     45 VAL  QG2     3.70  #     1M   71380.0  e   prova    309
         HB     46 LEU  HN      4.20  #     2    15070.0  e   prova   1419
         HB     63 HEM  HV4C    6.00  #   w 5     4933.0  e   prova   2694
         HB     63 HEM  HBM     6.00  #   w 5     2895.0  e   prova   2628
         QG1    46 LEU  HG      6.10  #     5M    9135.0  e   prova   2305
         QG1    48 GLU- QG      6.30  # m   5M   17325.0*2e   prova   2307
         QG1    63 HEM  HV4C    7.00  #   w 5M    1435.0  e   prova   2696
         QG1    63 HEM  HBM     5.30  #     5M   17520.0  e   prova   1156
         QG1    63 HEM  QM5     5.00  #     5M   23620.0  e   prova   1186
         QG2    46 LEU  HN      5.40  #     5M   15600.0  e   prova   2298
         QG2    46 LEU  HA      7.00  #   w 5M    2564.0  e   prova   2297
         QG2    46 LEU  HG      5.70  #     5M   12360.0  e   prova   2303
         QG2    46 LEU  QD1     5.60  # m   5M   36500.0  e   prova   2300
         QG2    46 LEU  QD2     4.80  # m   5M   91740.0  e   prova   2301
         QG2    63 HEM  QM3     5.90  #     5M   10760.0  e   prova   2791
         QG2    63 HEM  HV4A    6.60  #     5M    5853.0  e   prova   2692
         QG2    63 HEM  HV4C    7.00  #   w 5M    3335.0  e   prova   2693
         QG2    63 HEM  HBM     5.10  #     5M   21700.0  e   prova   1155
         QG2    63 HEM  QM5     5.20  #     5M   20220.0  e   prova   1185
 46 LEU  
         HN     46 LEU  HA      4.20  #     2    14030.0  e   prova     47
         HN     46 LEU  HB2     3.70  #     2    28740.0  e   prova     48
         HN     46 LEU  HB3     3.90  #     2    23360.0  e   prova     49
         HN     46 LEU  HG      4.00  #     1    45440.0  e   prova     50
         HN     46 LEU  QD1     4.90  #     1M   14270.0  e   prova     51
         HN     46 LEU  QD2     4.70  #     1M   17180.0  e   prova     85
         HN     47 ARG+ HN      3.60  #     2    38980.0  e   prova   1423
         HN     48 GLU- HN      5.30  #     3     6142.0  e   prova   3169
         HA     46 LEU  HB2     4.00  #     2    17720.0  e   prova     70
         HA     46 LEU  HB3     3.60  #     2    38190.0  e   prova     71
         HA     46 LEU  HG      5.60  #     1     5584.0  e   prova     73
         HA     46 LEU  QD1     5.10 >#     1M   10710.0  e   prova     82
         HA     46 LEU  QD2     3.70 <#     1M   70760.0  e   prova     83
         HA     47 ARG+ HN      5.10  #     2     4492.0  e   prova   1424
         HA     47 ARG+ HA      4.70  #     2     7557.0  e   prova   1428
         HA     49 GLN  HN      5.10  #     3     7042.0  e   prova   2310
         HA     49 GLN  QB      6.70  # m   3     3866.0*2e   prova   3170
         HA     50 ALA  HN      6.00  #   w 3     1544.0  e   prova   3171
         HA     63 HEM  QM3     7.00  #   w 5M    3127.0  e   prova   2878
         HB2    46 LEU  HG      4.10  #     1    37710.0  e   prova     74
         HB2    46 LEU  QD1     4.10  #     1M   42800.0  e   prova     80
         HB2    46 LEU  QD2     4.40  #     1M   27350.0  e   prova     81
         HB2    49 GLN  QB      7.00  # m w 5     6595.0*2e   prova   2312
         HB3    46 LEU  HG      4.20  #     1    32160.0  e   prova     59
         HB3    46 LEU  QD1     4.00  #     1M   45650.0  e   prova     78
         HB3    46 LEU  QD2     4.30  #     1M   31960.0  e   prova     79
         HB3    47 ARG+ HN      4.70  #     2     7610.0  e   prova   1426
         HG     46 LEU  QD1     3.70  #     1M   68790.0  e   prova     76
         HG     46 LEU  QD2     3.70  #     1M   71390.0  e   prova     77
         QD1    47 ARG+ QB      8.00  # m w 5M    2901.5*2e   prova   2313
         QD1    63 HEM  QM3     7.00 >#   w 5M    3297.0  e   prova   2879
         QD2    63 HEM  HAM     4.90  #     5M   26970.0  e   prova   1154
         QD2    63 HEM  QM3     4.10 <#     5M   65660.0  e   prova   1181
 47 ARG+ 
         HN     47 ARG+ HA      4.00  #     2    19080.0  e   prova    442
         HN     47 ARG+ QB      4.30  # i   2    31870.0*2e   prova    443
         HN     47 ARG+ QG      5.70  # m   1    16145.0*2e   prova    444
         HN     48 GLU- HN      3.60  #     2    33490.0  e   prova   1430
         HN     49 GLN  HN      5.80  #     3     3434.0  e   prova   3172
         HA     47 ARG+ QB      4.00  # i   2    55500.0*2e   prova    447
         HA     47 ARG+ QG      5.00  # i   1    24250.0*2e   prova    449
         HA     48 GLU- HN      5.10  #     2     4454.0  e   prova   1431
         HA     49 GLN  HN      6.00  #     3     2865.0  e   prova   3173
         HA     50 ALA  HN      4.70  #     3    11610.0  e   prova   2314
         HA     50 ALA  QB      3.60  #     3M   41240.0  e   prova   2316
         QB     47 ARG+ QG      6.60  # mm  1    17722.5*4e   prova    450
         QB     48 GLU- HN      5.20  # m   2    13625.0*2e   prova   1433 Sequence
 48 GLU- 
         HN     48 GLU- HA      3.40  #     2    55170.0  e   prova    320
         HN     48 GLU- HB2     5.30 >#     2     3376.0  e   prova    322
         HN     48 GLU- HB3     3.50 <#     2    46790.0  e   prova    323
         HN     48 GLU- QG      6.30  # m   1     8325.0*2e   prova    321
         HN     49 GLN  HN      3.80  #     2    27570.0  e   prova   1439
         HN     50 ALA  HN      5.40  #     3     4948.0  e   prova   2321
         HA     48 GLU- HB2     3.90  #     2    23880.0  e   prova    325
         HA     48 GLU- HB3     3.40  #     2    50530.0  e   prova    324
         HA     48 GLU- QG      5.40  # i   1    14730.0*2e   prova    333
         HA     49 GLN  HN      4.70  #     2     6898.0  e   prova   1441
         HA     49 GLN  HA      4.40  #     2    10130.0  e   prova   1444
         HA     50 ALA  HN      5.20  #     3     6334.0  e   prova   2319
         HB2    48 GLU- QG      5.30 <# m   1    27010.0*2e   prova    327
         HB3    48 GLU- QG      6.10 ># m   1    10295.0*2e   prova    328
         HB3    49 GLN  HN      4.90  #     2     5630.0  e   prova   1442
 49 GLN  
         HN     49 GLN  QB      5.00  # i   2    10460.0*2e   prova    454
         HN     49 GLN  QG      6.60  # m   1     5410.0*2e   prova    453
         HN     50 ALA  HN      3.50  #     2    46000.0  e   prova   1446
         HN     50 ALA  QB      4.10  #     2M   13880.0  e   prova   2322
         HA     49 GLN  QB      6.20  # m   2     3723.5*2e   prova   1437 GLN 49(A)other
         HA     50 ALA  HN      4.70  #     2     6867.0  e   prova   1447
         HA     52 GLY  HN      5.10  #     3     7618.0  e   prova   2323
         QB     49 GLN  QG      6.00  # mm  1    40675.0*4e   prova    455
         QB     50 ALA  HN      6.40  # m   2     3121.0*2e   prova   1448
         QB     57 ASN  HA      7.00  # m w 5     5425.0*2e   prova   2326
         QG     54 ALA  QB      5.70  # m   5M   31560.0*2e   prova   2324
         QG     63 HEM  HV4T    7.00  # m w 5     2864.0*2e   prova   2933
 50 ALA  
         HN     50 ALA  HA      3.90  #     2    21740.0  e   prova    268 ALA 50(A)
         HN     50 ALA  QB      3.40  #   s 2M  100100.0  e   prova    263
         HN     51 GLY  HN      5.20  #     2     3896.0  e   prova   1450
         HA     50 ALA  QB      3.40  #   s 2M   88490.0  e   prova    264
         HA     51 GLY  HN      3.00  #     2   102800.0  e   prova   1449
         HA     52 GLY  HN      5.40  #     3     5496.0  e   prova   2329
         QB     51 GLY  HN      3.40  #   s 2M   65800.0  e   prova   1452
         QB     51 GLY  HA1     6.00  #     2M    1430.0  e   prova   2327
 51 GLY  
         HN     51 GLY  HA1     3.80  #     2    25510.0  e   prova    363
         HN     51 GLY  HA2     3.40  #     2    54400.0  e   prova    364
         HN     52 GLY  HN      3.90  #     2    20670.0  e   prova   1457
         HA1    52 GLY  HN      5.30  #     2     3390.0  e   prova   1458
         HA1    52 GLY  HA2     4.50  #     2     9748.0  e   prova   1462
         HA2    52 GLY  HN      5.00  #     2     5022.0  e   prova   1459
         HA2    52 GLY  HA1     4.40  #     2    11040.0  e   prova   1461
 52 GLY  
         HN     52 GLY  HA2     4.40  #     2    11400.0  e   prova    819 GLY 52(A)
         HA1    53 ASP- HN      5.20  #     2     3770.0  e   prova   1463
         HA2    53 ASP- HN      4.70  #     2     6866.0  e   prova   1464
 53 ASP- 
         HN     53 ASP- HA      4.70  #     2     7055.0  e   prova    174
         HN     53 ASP- HB2     3.90  #     2    23290.0  e   prova    175
         HN     53 ASP- HB3     3.90  #     2    22710.0  e   prova    176
         HA     53 ASP- HB2     4.70  #     2     7161.0  e   prova    185 ASP 53(A)
         HA     53 ASP- HB3     4.20  #     2    13240.0  e   prova    177
         HA     54 ALA  HN      3.80  #     2    27700.0  e   prova   1467
         HA     55 THR  HN      5.80  #     3     3247.0  e   prova   2740
         HA     56 GLU- HN      5.20  #     3     6230.0  e   prova   2743
         HB3    87 ILE  QG1     7.00  # m w 5     7750.0*2e   prova   2332
 54 ALA  
         HN     54 ALA  HA      3.40  #     2    48800.0  e   prova     46 ALA 54(A)
         HN     54 ALA  QB      3.50  #     2M   39020.0  e   prova     42
         HN     55 THR  HN      3.80  #     2    25840.0  e   prova   1469
         HN     56 GLU- HN      6.00  #   w 3     1387.0  e   prova   2742
         HA     54 ALA  QB      3.40  #   s 2M  114400.0  e   prova     43
         HA     55 THR  HN      4.10  #     2    15500.0  e   prova   1470
         HA     56 GLU- QG      7.00  # m w 5     4678.5*2e   prova   2614
         HA     57 ASN  HN      5.70  #     3     3642.0  e   prova   2914
         HA     57 ASN  HB2     6.00  #   w 3     2166.0  e   prova   2915
         HA     58 PHE  HN      5.90  #     3     2931.0  e   prova   2917
         QB     55 THR  HN      4.50  #     2M    7522.0  e   prova   1472
         QB     56 GLU- QG      7.40  # m   5M    6915.0*2e   prova   2334
         QB     57 ASN  HN      6.20  #     3M    1664.6  e   only800 3179
         QB     58 PHE  HN      5.50  #     3M    3439.0  e   prova   2620
         QB     58 PHE  QB      8.00  # m w 5M    3584.5*2e   prova   2363
         QB     63 HEM  QM3     5.00  #     5M   23410.0  e   prova   2602
 55 THR  
         HN     55 THR  HA      4.20  #     2    15000.0  e   prova    340
         HN     55 THR  HB      4.10  #     2    16780.0  e   prova    348 THR 55(A)
         HN     55 THR  QG2     5.80  #     1M    4674.0  e   prova    341
         HN     56 GLU- HN      4.40  #     2    10910.0  e   prova   1477
         HN     56 GLU- HB2     5.60  #     2     2377.2  e   only800 3194
         HN     56 GLU- QG      7.00  # m w 5    10280.0*2e   prova   2340
         HN     58 PHE  HN      5.90  #     3     2953.9  e   only800 3188
         HA     55 THR  HB      3.80  #     2    24530.0  e   prova    343
         HA     55 THR  QG2     3.70  #     1M   78470.0  e   prova    347
         HA     56 GLU- HN      4.50  #     2     9839.0  e   prova   1474
         HA     58 PHE  HN      6.00  #     3     2855.0  e   prova   2799
         HA     58 PHE  QB      5.50  # m   3    16465.0*2e   prova   2343
         HA     59 GLU- HN      6.00  #   w 3     2258.0  e   prova   2800
         HA     59 GLU- QB      7.00  # m w 3     1242.5*2e   prova   2616
         HA     59 GLU- QG      7.00  # m w 5     2794.5*2e   prova   2796
         HA     87 ILE  QG1     7.00  # m w 5     2049.5*2e   prova   2344
         HB     55 THR  QG2     3.60  #     1M   82890.0  e   prova    342
         HB     56 GLU- HN      3.60  #     2    34430.0  e   prova   1475
         HB     56 GLU- HB3     6.00  #   w 5     1225.4  e   only800 3192
         HB     58 PHE  HN      6.00  #   w 3      747.8  e   only800 3215
         QG2    56 GLU- HN      5.30  #     5M   18270.0  e   prova   2336
         QG2    56 GLU- HA      5.50  #     5M   14830.0  e   prova   2337
         QG2    57 ASN  HN      7.00  #   w 5M    1045.0  e   prova   2918
         QG2    58 PHE  HN      7.00  #   w 5M    1669.4  e   only800 3187
         QG2    58 PHE  QB      8.00  # m w 5M    1172.3*2e   only800 3190
         QG2    59 GLU- HN      7.00  #   w 5M    2428.0  e   prova   2801
 56 GLU- 
         HN     56 GLU- HA      3.50  #     2    39580.0  e   prova    357
         HN     56 GLU- HB2     3.00 <#     2   119900.0  e   prova    354
         HN     56 GLU- HB3     4.20 >#     2    14340.0  e   prova    355
         HN     56 GLU- QG      5.60  # m   1    18610.0*2e   prova    356
         HN     57 ASN  HN      3.60  #     2    35290.0  e   prova   1480
         HN     58 PHE  HN      5.50  #     3     4589.0  e   prova   2745
         HN     59 GLU- HN      6.00  #   w 3     1518.0  e   only800 3195
         HN     60 ASP- HN      6.00  #   w 3     1606.0  e   prova   2805
         HA     56 GLU- HB2     3.10 <#     2    94140.0  e   prova    361
         HA     56 GLU- HB3     4.80 >#     2     6471.0  e   prova   2347
         HA     56 GLU- QG      5.90  # i   1     7430.0*2e   prova    359
         HA     57 ASN  HN      5.40  #     2     3213.0  e   prova   1482
         HA     57 ASN  HA      4.80  #     2     5939.0  e   prova   2797
         HA     59 GLU- HN      6.00  #     3     2818.0  e   prova   2803
         HA     59 GLU- QB      7.00  # m w 3     2471.0*2e   prova   2744
         HA     60 ASP- HN      5.90  #     3     3010.0  e   prova   2920
         HA     60 ASP- HB3     4.80  #     3    10830.0  e   prova   2359
         HB2    57 ASN  HN      3.30  #     2    63320.0  e   prova   1484
         HB2    57 ASN  HA      4.90  #     2     5568.0  e   prova   2345
         HB2    59 GLU- HN      5.50  #     3     4445.0  e   prova   2919
         HB2    60 ASP- HN      6.00  #   w 3      998.3  e   only800 3198
         HB3    56 GLU- QG      5.40  # m   1    23690.0*2e   prova    350
         QG     59 GLU- QB      8.00  # mmw 5     3617.5*4e   prova   2348
 57 ASN  
         HN     57 ASN  HA      4.40  #     2    10690.0  e   prova    822
         HN     57 ASN  HB2     3.60  #     2    37360.0  e   prova    820
         HN     58 PHE  HN      3.40  #     2    51240.0  e   prova   1486
         HN     58 PHE  QB      4.90  # m   2    22200.0*2e   prova   2351
         HN     59 GLU- HN      6.00  #   w 3     1329.8  e   only800 3205
         HN     60 ASP- HN      6.00  #   w 3     1238.2  e   only800 3200
         HA     57 ASN  HB2     3.90  #     2    20900.0  e   prova    825 ASN 57(A)
         HA     58 PHE  QB      5.90  # m   2     5885.0*2e   prova   2349
         HA     59 GLU- HN      6.00  #   w 3     1651.8  e   only800 3207
         HA     60 ASP- HN      5.40  #     3     5289.5  e   only800 3201
         HA     60 ASP- HB2     6.00 >#   w 3     2258.0  e   prova   2807
         HA     60 ASP- HB3     5.10 <#     3     7297.0  e   prova   2806
         HA     61 VAL  HN      6.00  #   w 3     1236.0  e   prova   2966
         HB2    58 PHE  HN      3.40  #     2    51320.0  e   prova   1488
         HB2    61 VAL  QG1     7.00  #   w 5M     807.0  e   only800 3203
 58 PHE  
         HN     58 PHE  HA      5.80  #     2     2084.0  e   prova   1012
         HN     58 PHE  QB      4.10  # i   2    40030.0*2e   prova   1011
         HN     59 GLU- HN      4.00  #     2    19160.0  e   prova   1491
         HN     59 GLU- QG      7.00  # m   5    18215.0*2e   prova   2354
         HN     60 ASP- HN      5.50  #     3     4693.0  e   prova   2625
         HN     61 VAL  QG1     7.00  #   w 5M    2043.0  e   prova   2971
         HA     58 PHE  QB      7.00  # m w 2      735.5*2e   only800 3184
         HA     60 ASP- HN      6.00  #   w 3     1497.2  e   only800 3211
         HA     61 VAL  HN      6.00  #   w 3     1093.7  e   only800 3209
         QB     59 GLU- HN      5.30  # m   2    12190.0*2e   prova   1492
         QB     59 GLU- QB      8.00  # mmw 5      695.2*4e   prova   2358
         QB     59 GLU- QG      7.90  # mm  5    20412.5*4e   prova   2355
         QB     61 VAL  HN      7.00  # m w 3      730.0*2e   prova   2921
         QB     61 VAL  QG1     8.00  # m w 5M    4228.5*2e   prova   2362
         QB     61 VAL  QG2     8.00  # m w 5M    1788.0*2e   prova   2360
         QB     63 HEM  QM3     7.60  # m   5M    6125.0*2e   prova   2855
         QB     71 SER  QB      8.00  # mmw 5     3367.5*4e   prova   2365
 59 GLU- 
         HN     59 GLU- HA      5.20  #     2     3759.0  e   prova   2795
         HN     59 GLU- QB      5.10  # i   2     9030.0*2e   prova   1016
         HN     59 GLU- QG      7.00  # m w 1     2779.0*2e   prova   1015
         HN     60 ASP- HN      4.00  #     2    18420.0  e   prova   1495
         HN     61 VAL  HN      6.00  #   w 3     1715.0  e   prova   2968
         HA     59 GLU- QB      6.00  # m   2     4660.5*2e   prova   1017
         QB     60 ASP- HN      5.60  # m   2     7950.0*2e   prova   1496
         QB     60 ASP- HB2     7.00  # m w 5     5055.0*2e   prova   2368
         QB     60 ASP- HB3     7.00  # m w 5     2841.0*2e   prova   2367
         QB     68 ARG+ HN      7.00  # m w 5      718.5*2e   prova   2372
         QB     68 ARG+ HA      7.00  # m w 5     4214.0*2e   prova   2370
         QG     60 ASP- HN      7.00  # m w 5     1956.0*2e   prova   2881
 60 ASP- 
         HN     60 ASP- HA      3.50  #     2    40400.0  e   prova    837 ASP 60(A)
         HN     60 ASP- HB2     3.80 >#     2    27390.0  e   prova    835
         HN     60 ASP- HB3     3.20 <#     2    74590.0  e   prova    836
         HN     61 VAL  HN      3.90  #     2    22270.0  e   prova   1498
         HN     61 VAL  QG1     7.00  #   w 5M    2316.0  e   prova   2974
         HN     62 GLY  HN      6.00  #   w 3     2241.0  e   prova   2626
         HA     60 ASP- HB2     4.10 >#     2    15570.0  e   prova    833
         HA     60 ASP- HB3     3.50 <#     2    40080.0  e   prova    830
         HA     61 VAL  HN      4.70  #     2     7377.0  e   prova   1501
         HA     62 GLY  HN      5.20  #     3     6247.0  e   prova   2377
         HB2    61 VAL  HN      4.70  #     2     7225.0  e   prova   1503
         HB2    62 GLY  HN      5.40  #     3     4958.0  e   prova   2374
         HB3    61 VAL  HN      4.60  #     2     7715.0  e   prova   1502
         HB3    61 VAL  QG1     7.00  #   w 5M    1281.0  e   prova   2973
         HB3    62 GLY  HN      5.00  #     3     8421.0  e   prova   2375
 61 VAL  
         HN     61 VAL  HA      3.70  #     2    31570.0  e   prova     30
         HN     61 VAL  HB      3.50  #     2    39970.0  e   prova     22
         HN     61 VAL  QG1     3.80 <#     1M   63300.0  e   prova     21
         HN     61 VAL  QG2     4.90 >#     1M   14170.0  e   prova     23
         HN     62 GLY  HN      3.70  #     2    30950.0  e   prova   1507
         HN     63 HEM  HA      5.50  #     3     4873.0  e   prova   2969
         HA     61 VAL  HB      3.90  #     2    23780.0  e   prova     25
         HA     61 VAL  QG1     3.70  #     1M   68680.0  e   prova     24
         HA     61 VAL  QG2     3.80  #     1M   66070.0  e   prova     26
         HA     62 GLY  HN      5.30  #     2     3563.0  e   prova   1509
         HA     62 GLY  HA1     5.10  #     2     4498.0  e   prova   1512
         HA     62 GLY  HA2     4.80  #     2     6028.0  e   prova   1513
         HB     61 VAL  QG1     4.10  #     1M   37230.0  e   prova     27
         HB     61 VAL  QG2     3.70  #     1M   69210.0  e   prova     29
         HB     62 GLY  HN      4.30  #     2    11880.0  e   prova   1510
         QG1    62 GLY  HN      7.00  #     5M    4249.0  e   prova   2977
         QG1    63 HEM  HN      5.40  #     5M   16040.0  e   prova   2629
         QG1    63 HEM  HA      6.70  #     5M    5551.0  e   prova   2980
         QG1    63 HEM  HV4A    7.00  #   w 5M    1507.0  e   prova   2517
         QG1    63 HEM  HBM     4.60 <#     5M   36650.0  e   prova   1160
         QG1    63 HEM  QM5     4.40 <#     5M   45460.0  e   prova   1221
         QG2    62 GLY  HN      6.50  #     5M    6229.0  e   prova   2380
         QG2    63 HEM  HA      7.00  #   w 5M    3820.0  e   prova   2382
         QG2    63 HEM  HV4C    7.00  #   w 5M    3617.0  e   prova   2857
         QG2    63 HEM  HBM     6.00 >#     5M    9815.0  e   prova   1159
         QG2    63 HEM  QM5     5.40 >#     5M   16020.0  e   prova   1189
         QG2    63 HEM  HGM     7.00  #   w 5M    4037.0  e   prova   2715
         QG2    63 HEM  QAP6    6.30  #     5M    7202.0  e   prova   2726
 62 GLY  
         HN     62 GLY  HA1     3.70  #     2    30270.0  e   prova    161 GLY (62)
         HN     62 GLY  HA2     3.50  #     2    39840.0  e   prova    160
         HN     63 HEM  HN      4.10  #     2    15720.0  e   prova   1515
         HA1    63 HEM  HN      5.00  #     2     5006.0  e   prova   1516
         HA2    63 HEM  HN      4.40  #     2    10060.0  e   prova   1517
 63 HEM  
         HN     63 HEM  HA      4.60  #     2     7808.0  e   prova    274
         HN     63 HEM  QB      4.90  # i   2    12565.0*2e   prova    270
         HA     63 HEM  QB      5.60  # m   2     8195.0*2e   prova    271
         HA     63 HEM  HD2     5.00  #     1    11360.0  e   prova   2671
         HA     64 SER  HN      3.20  #     2    80360.0  e   prova   1519
         HA     64 SER  HA      4.80  #     2     6263.0  e   prova   2824
         HA     67 ALA  QB      4.30  #     3M   14700.0  e   prova   2385
         QB     64 SER  HN      7.00  # m w 2     1029.5*2e   prova   2825
         QB     67 ALA  QB      5.70  # m   5M   33820.0*2e   prova   2387
         QB     68 ARG+ HA      7.00  # m w 5     7010.0*2e   prova   2392
         HD2    63 HEM  HE1     3.50  #     1   102400.0  e   prova    275
         HD2    67 ALA  QB      3.60  #     5M  120000.0  e   prova   2859
         HAP71  63 HEM  HAP72   4.10  #     1    36380.0  e   prova   2701
         HAP71  63 HEM  HBP73   5.50  #     1     6209.0  e   prova   2707
         HAP71  63 HEM  HBP74   5.30  #     1     7970.0  e   prova   2706
         HAP71  63 HEM  QM8     5.90  #     1M    4231.0  e   prova   2703
         HAP71  63 HEM  HGM     4.60  #     1    18090.0  e   prova   2697
         HAP72  63 HEM  QM8     5.00  #     1M   11490.0  e   prova   2704
         HAP72  63 HEM  HGM     5.70  #     1     5087.0  e   prova   2698
         HBP73  63 HEM  HGM     4.30  #     1    26430.0  e   prova   2699
         HBP74  63 HEM  HGM     4.30  #     1    29850.0  e   prova   2700
         QM8    63 HEM  HDM     3.80  #     1M   59990.0  e   prova   2502
         QM8    63 HEM  QM1     5.80  #     1M    4734.0  e   prova   2647
         QM8    64 SER  HN      7.00  #   w 5M    1202.0  e   prova   2828
         QM8    67 ALA  HN      7.00  #   w 5M    1991.0  e   prova   2633
         QM8    67 ALA  QB      4.80  #     5M   29290.0  e   prova   1192
         HDM    63 HEM  QM1     3.80  #     1M   65660.0  e   prova   2504
         HDM    67 ALA  QB      5.90  #     5M   10550.0  e   prova   2604
         HDM    70 LEU  HG      6.00  #   w 5     7860.0  e   prova   1218
         QM1    63 HEM  HV2A    5.60  #     1M    6242.0  e   prova   2678
         QM1    63 HEM  HV2T    4.80  #     1M   15550.0  e   prova   2532
         QM1    63 HEM  HV2C    6.30  #     1M    2816.0  e   prova   2533
         QM1    67 ALA  HA      7.00  #   w 5M    3535.0  e   prova   2607
         QM1    67 ALA  QB      5.80  #     5M   10910.0  e   prova   2608
         QM1    70 LEU  HB2     5.50  #     5M   14890.0  e   prova   2784
         QM1    70 LEU  HB3     5.50  #     5M   14350.0  e   prova   1226
         QM1    70 LEU  HG      4.60  #     5M   36900.0  e   prova   1225
         QM1    74 TYR  CG      9.00  # r w 5M     998.0*2e   prova   1206 HEM
         QM1    74 TYR  CZ      9.00  # r w 5M    3926.5*2e   prova   1205
         HV2A   63 HEM  HV2T    5.30  #     1     8165.0  e   prova   2677
         HV2A   63 HEM  HAM     4.90  #     1    12510.0  e   prova   2524
         HV2A   70 LEU  QD1     7.00 >#   w 5M    1272.0  e   prova   2783
         HV2A   70 LEU  QD2     6.70 <#     5M    5278.0  e   prova   2782
         HV2T   63 HEM  HV2C    4.30  #     1    26070.0  e   prova   2528
         HV2T   63 HEM  HAM     5.00  #     1    11710.0  e   prova   2525
         HV2T   63 HEM  QM3     7.00  #   w 1M    1299.0  e   prova   2790
         HV2T   70 LEU  QD2     7.00  #   w 5M    4173.0  e   prova   2777
         HV2C   63 HEM  HAM     6.00  #   w 1     2175.0  e   prova   2527
         HV2C   70 LEU  QD1     6.90 >#     5M    4850.0  e   prova   2779
         HV2C   70 LEU  QD2     5.70 <#     5M   12760.0  e   prova   2778
         HAM    63 HEM  QM3     3.60  #     1M   84640.0  e   prova   1223
         HAM    70 LEU  QD1     6.00 <#     5M    9635.0  e   prova   2787
         HAM    70 LEU  QD2     7.00 >#   w 5M    3588.0  e   prova   2788
         QM3    63 HEM  HV4A    6.60  #     1M    2329.0  e   prova   2519
         QM3    63 HEM  HV4T    4.80  #     1M   15230.0  e   prova   2680
         QM3    63 HEM  HV4C    5.70  #     1M    5529.0  e   prova   2681
         HV4A   63 HEM  HV4T    5.80  #     1     4739.0  e   prova   2515
         HV4A   63 HEM  HBM     4.60  #     1    17450.0  e   prova   2511
         HV4A   63 HEM  QM5     7.00  #   w 1M    1429.0  e   prova   2516
         HV4T   63 HEM  HV4C    4.20  #     1    30770.0  e   prova   2682
         HV4T   63 HEM  HBM     5.80  #     1     4549.0  e   prova   2683
         HV4C   63 HEM  HBM     6.00  #   w 1     2703.0  e   prova   2508
         HBM    63 HEM  QM5     3.60  #     1M   85640.0  e   prova   2507
         QM5    63 HEM  HAP61   5.50  #     1M    6638.0  e   prova   2719
         QM5    63 HEM  HAP62   5.40  #     1M    7490.0  e   prova   2721
         HGM    63 HEM  HAP61   4.30  #     1    29190.0  e   prova   2712
         HGM    63 HEM  HAP62   4.70  #     1    17080.0  e   prova   2713
         HGM    63 HEM  QAP6    6.00  #   w 1     1982.0  e   prova   2718
         HAP61  63 HEM  HAP62   3.80  #     1    56540.0  e   prova   2723
         HAP62  63 HEM  QAP6    5.10  #     1    10300.0  e   prova   2725
 64 SER  
         HN     64 SER  HA      4.30  #     2    13180.0  e   prova   1060 SER 64(A)
         HN     64 SER  QB      4.10  # i   2    44350.0*2e   prova   1056
         HN     67 ALA  QB      3.80  #     3M   29600.0  e   prova   2631
         HN     68 ARG+ HN      6.00  #   w 3     1891.0  e   prova   3134
         HA     64 SER  QB      6.20  # m   2     3737.0*2e   prova   1058
         HA     65 THR  HN      4.20  #     2    14480.0  e   prova   1523
         HA     65 THR  HA      5.00  #     2     4645.0  e   prova   3131
         QB     65 THR  HN      7.00  # m w 2     1454.0*2e   prova   2826
 65 THR  
         HN     65 THR  HA      4.10  #     2    16640.0  e   prova   1046
         HN     65 THR  HB      4.30  #     2    11610.0  e   prova   1045
         HN     65 THR  QG2     4.30  #     1M   28660.0  e   prova   1047
         HN     66 ASP- QB      7.00  # m   2     1701.5*2e   prova   3136
         HN     68 ARG+ HN      6.00  #   w 3     1109.0  e   prova   3140
         HA     65 THR  HB      3.80  #     2    27180.0  e   prova   1052
         HA     65 THR  QG2     3.80  #     1M   65280.0  e   prova   1049
         HA     66 ASP- HN      5.20  #     2     4050.0  e   prova   1525
         HA     68 ARG+ HN      5.00  #     3     8659.0  e   prova   2401
         HA     68 ARG+ QB      5.40  # m   3    16920.0*2e   prova   2396
         HB     65 THR  QG2     3.40  #   s 1M  116700.0  e   prova   1048
         HB     66 ASP- HN      4.40  #     2    11230.0  e   prova   1526
         QG2    66 ASP- HN      6.10  #     5M    9090.0  e   prova   2393
         QG2    68 ARG+ HN      5.40  #     5M   16400.0  e   prova   2398
         QG2    68 ARG+ HA      7.00  #     5M    4489.0  e   prova   2395
         QG2    68 ARG+ QB      8.00  # m w 5M    1279.0*2e   prova   3139
         QG2    69 GLU- HN      6.30  #     5M    7222.0  e   prova   2402
         QG2    69 GLU- QB      8.00  # m w 5M    2900.5*2e   prova   3141
         QG2    69 GLU- QG      6.40  # m   5M   15835.0*2e   prova   2404
 66 ASP- 
         HN     66 ASP- HA      5.80  #     2     2037.0  e   prova   1127
         HN     66 ASP- QB      4.80  # i   2    14995.0*2e   prova   1128
         HN     67 ALA  HN      4.10  #     2    15850.0  e   prova   1530
         HA     66 ASP- QB      5.20  # i   2     7875.0*2e   prova   1129
         HA     69 GLU- HN      5.80  #     3     3552.0  e   prova   2956
         HA     69 GLU- HA      5.40  #     3     5242.0  e   prova   2407
         HA     69 GLU- QB      6.70  # m   3     3917.0*2e   prova   1935
         HA     69 GLU- QG      7.00  # m w 5     9290.0*2e   prova   2405
         QB     67 ALA  HN      5.50  # m   2     9300.0*2e   prova   1528
 67 ALA  
         HN     67 ALA  HA      6.00  #   w 2     1236.0  e   prova   1123
         HN     67 ALA  QB      3.40  #   s 2M   80650.0  e   prova   1125
         HN     68 ARG+ HN      4.00  #     2    18400.0  e   prova   1533
         HA     67 ALA  QB      4.50  #     2M    7911.0  e   prova   1126 ALA 67(A)
         HA     70 LEU  HN      6.00  #   w 3     1634.0  e   prova   2959
         HA     70 LEU  HB3     5.70  #     3     3936.0  e   prova   2408
         HA     71 SER  HN      6.00  #   w 3     1929.0  e   prova   2960
         QB     68 ARG+ HN      3.40  #   s 2M   46430.0  e   prova   1534
         QB     70 LEU  QD2     8.00  # m   5M    4306.0  e   prova   3147
 68 ARG+ 
         HN     68 ARG+ HA      4.40  #     2    10360.0  e   prova   1120
         HN     68 ARG+ QB      4.90  # i   2    12375.0*2e   prova   1118
         HN     69 GLU- HN      3.80  #     2    26020.0  e   prova   1539
         HN     70 LEU  HN      5.30  #     3     5820.0  e   prova   3152
         HA     68 ARG+ QB      4.90  # i   2    11495.0*2e   prova   1119
         HA     69 GLU- HN      4.30  #     2    11530.0  e   prova   1540
         HA     69 GLU- HA      5.20  #     2     3847.0  e   prova   2670
         HA     69 GLU- QG      7.00  # m w 5    16220.0*2e   prova   2412
         HA     70 LEU  HN      6.00  #   w 3     1449.0  e   prova   2634
         HA     71 SER  HN      6.00  #     3     2803.0  e   prova   2746
         HA     71 SER  HA      4.90  #     3     9464.0  e   prova   2414
         HA     71 SER  QB      5.80  # m   3    10260.0*2e   prova   2413
         QB     69 GLU- HN      5.50  # m   2     9890.0*2e   prova   1536
         QB     69 GLU- QG      8.00  # mmw 5     5690.0*4e   prova   2409
 69 GLU- 
         HN     69 GLU- HA      3.90  #     2    23760.0  e   prova   1105
         HN     69 GLU- QB      4.20  # i   2    36460.0*2e   prova   1107
         HN     69 GLU- QG      5.70  # m   1    15470.0*2e   prova   1106
         HN     70 LEU  HN      3.90  #     2    21730.0  e   prova   1542
         HA     69 GLU- QB      4.30  # m   2    60400.0*2e   prova   1109
         HA     69 GLU- QG      5.20  # i   1    18680.0*2e   prova   1108
         HA     70 LEU  HN      4.70  #     2     6797.0  e   prova   1546
         HA     72 LYS+ HN      5.60  #     3     4267.0  e   prova   2963
         HA     72 LYS+ QB      7.00  # m   3     2793.0*2e   prova   2962
         HA     72 LYS+ QG      6.10  # m   5    39845.0*2e   prova   2416
         HA     72 LYS+ QD      7.00  # m w 5     4861.5*2e   prova   3156
         HA     73 THR  HN      6.00  #   w 3     2555.0  e   prova   2965
         QB     69 GLU- QG      6.60  # mm  1    17605.0*4e   prova   1110
         QB     70 LEU  HN      4.60  # m   2    35940.0*2e   prova   1545
         QG     72 LYS+ QG      8.00  # mmw 5    10112.5*4e   prova   2418
 70 LEU  
         HN     70 LEU  HA      4.10  #     2    17250.0  e   prova   1094
         HN     70 LEU  HB2     5.20 >#     2     3991.0  e   prova   2759
         HN     70 LEU  HB3     3.50 <#     2    42620.0  e   prova   1095
         HN     70 LEU  HG      6.00  #   w 1     2698.0  e   prova   1096
         HN     71 SER  HN      4.00  #     2    18230.0  e   prova   1550
         HA     70 LEU  HB2     4.20  #     2    15240.0  e   prova   2421
         HA     70 LEU  HB3     4.40  #     2    11340.0  e   prova   1097
         HA     70 LEU  HG      6.00  #   w 1     2155.0  e   prova   1098
         HA     71 SER  HN      4.90  #     2     5464.0  e   prova   1549
         HA     71 SER  QB      6.10  # m   2     4367.0*2e   prova   2420
         HB2    70 LEU  HG      4.60  #     1    17850.0  e   prova   2766
         HB2    70 LEU  QD1     4.20  #     1M   36200.0  e   prova   2767
         HB2    71 SER  HN      4.40  #     2    10780.0  e   prova   3158
         HB3    70 LEU  HG      4.40  #     1    25000.0  e   prova   1101
         HB3    71 SER  HN      4.00  #     2    19210.0  e   prova   1552
         HB3    73 THR  HB      6.00  #   w 5    14190.0  e   prova   2423
         HG     70 LEU  QD1     4.40  #     1M   26130.0  e   prova   2764
         HG     70 LEU  QD2     4.40  #     1M   26300.0  e   prova   2761
         HG     71 SER  HN      6.00  #   w 5     6951.0  e   prova   2786
         HG     74 TYR  CZ      8.00  # r w 5     4515.0*2e   prova   2425
         QD2    74 TYR  CG      7.60  # r   5M   13280.0*2e   prova   2771
 71 SER  
         HN     71 SER  HA      3.90  #     2    22720.0  e   prova    990
         HN     71 SER  QB      5.30  # i   2     7475.0*2e   prova    991
         HN     72 LYS+ HN      4.20  #     2    13240.0  e   prova   1554
         HA     71 SER  QB      5.70  # m   2     7295.0*2e   prova    992
 72 LYS+ 
         HN     72 LYS+ HA      3.90  #     2    23940.0  e   prova    838
         HN     72 LYS+ QB      4.30  # i   2    30055.0*2e   prova    839
         HN     72 LYS+ QG      5.20  # m   1    30350.0*2e   prova    840
         HN     72 LYS+ QD      5.70  # m   1    16470.0*2e   prova   2638
         HN     73 THR  HN      4.00  #     2    18590.0  e   prova   1557
         HA     72 LYS+ QB      4.60  # m   2    35760.0*2e   prova    843
         HA     72 LYS+ QG      5.50  # i   1    12180.0*2e   prova    842
         HA     72 LYS+ QD      5.20  # m   1    30750.0*2e   prova    841
         HA     72 LYS+ QE      5.60  # m   1    18400.0*2e   prova    852
         HA     73 THR  HN      4.20  #     2    14050.0  e   prova   1558
         HA     73 THR  QG2     6.10  #     5M    9031.0  e   prova   2565
         HA     75 ILE  HN      5.60  #     3     4144.0  e   prova   2437
         HA     75 ILE  QG1     7.00  # m w 5     1232.0*2e   prova   2882
         QB     72 LYS+ QG      6.00  # mm  1    41225.0*4e   prova    859
         QB     72 LYS+ QD      6.80  # mm  1    14587.5*4e   prova    847
         QB     72 LYS+ QE      7.70  # mm  1     4872.5*4e   prova    856
         QB     73 THR  HN      5.40  # m   2    11160.0*2e   prova   1560
         QB     74 TYR  CG      9.00  # mrw 5     2180.0*4e   prova   2433
         QB     74 TYR  CZ      9.00  # mrw 5     3322.5*4e   prova   2434
         QG     72 LYS+ QD      5.50  # mm  1    93850.0*4e   prova    861 LYS 72(A)
         QG     72 LYS+ QE      6.30  # mm  1    28350.0*4e   prova    857
         QD     72 LYS+ QE      8.00  # mm  1     3705.0*4e   prova    858
         QD     73 THR  HB      6.90  # m   5    20025.0*2e   prova   2429
         QE     73 THR  HN      7.00  # m w 5    10045.0*2e   prova   2427
         QE     73 THR  HB      7.00  # m w 5     9880.0*2e   prova   2432
         QE     74 TYR  CZ      9.00  # mrw 5     3080.0*4e   prova   2435
 73 THR  
         HN     73 THR  HA      3.90  #     2    20680.0  e   prova    168
         HN     73 THR  HB      3.70  #     2    30340.0  e   prova    163
         HN     73 THR  QG2     4.50  #     1M   22580.0  e   prova    164
         HN     74 TYR  HN      3.80  #     2    24540.0  e   prova   1563
         HA     73 THR  HB      3.40  #     2    49730.0  e   prova    170
         HA     73 THR  QG2     4.20  #     1M   36470.0  e   prova    165
         HA     74 TYR  HN      4.40  #     2    11010.0  e   prova   1564
         HB     73 THR  QG2     3.80  #     1M   64960.0  e   prova    166
         HB     74 TYR  HN      4.30  #     2    11790.0  e   prova   1566
         HB     74 TYR  QB      6.50  # m   5    27945.0*2e   prova   2444
         HB     74 TYR  CG      8.00  # r w 5    15540.0*2e   prova   2439
         HB     74 TYR  CZ      8.00  # r w 5     2256.0*2e   prova   2441
         QG2    74 TYR  HN      7.00  #   w 5M    3177.0  e   prova   2860
         QG2    74 TYR  CG      9.00  # r   5M    4467.0*2e   prova   2775
         QG2    74 TYR  CZ      8.90  # r   5M    4550.5*2e   prova   2773
         QG2    75 ILE  QG1     7.20  # m   5M    8025.0*2e   prova   2446
 74 TYR  
         HN     74 TYR  QB      5.60  # i   2     4857.0*2e   prova   1215
         HN     74 TYR  CG      7.00  # r   1    11835.0*2e   prova   1217 TYR 74(A)
         HN     74 TYR  CZ      7.00  # m w 1      924.5*2e   prova   1213
         HN     75 ILE  HN      3.60  #     2    38110.0  e   prova   1569
         HA     74 TYR  QB      7.00  # m w 2     1035.0*2e   prova   1214
         HA     74 TYR  CG      7.00  # m w 1     1576.5*2e   prova   2639
         QB     74 TYR  CG      8.00  # mr  1    10617.5*4e   prova   1210
         CG     74 TYR  CZ      8.80  # rr  1    14380.0*4e   prova   1212
 75 ILE  
         HN     75 ILE  HA      4.00  #     2    18940.0  e   prova    867
         HN     75 ILE  HB      3.40  #     2    50620.0  e   prova    868
         HN     75 ILE  QG2     4.80  #     1M   15990.0  e   prova    869
         HN     75 ILE  QG1     7.00  # m   1     3796.0*2e   prova    870
         HA     75 ILE  HB      3.90  #     2    23410.0  e   prova    873
         HA     75 ILE  QG2     3.80  #     1M   60640.0  e   prova    872
         HA     75 ILE  QG1     5.80  # i   1     8375.0*2e   prova    871
         HA     76 ILE  HN      2.80  #     2   154500.0  e   prova   1571
         HA     76 ILE  QG2     5.00  #     5M   24790.0  e   prova   2450
         HA     76 ILE  HG13    6.00  #   w 5     8142.0  e   prova   2452
         HA     77 GLY  HN      4.20  #     3    23380.0  e   prova   2458
         HB     75 ILE  QG2     3.60  #     1M   85530.0  e   prova    880
         HB     75 ILE  QG1     5.80  # m   1    14270.0*2e   prova    878
         HB     77 GLY  HN      5.70  #     3     3669.0  e   prova   2993
         QG2    75 ILE  QG1     6.30  # m   1M    8710.0*2e   prova    886 ILE 75
         QG2    76 ILE  HN      4.10  #     5M   65930.0  e   prova   2448
         QG2    76 ILE  HG13    6.10  #     5M    8483.0  e   prova   2453
         QG2    77 GLY  HN      3.70  #     5M  109200.0  e   prova   2457
         QG2    77 GLY  HA1     4.60  #     5M   36410.0  e   prova   2462
         QG1    76 ILE  HN      7.00  # m w 5     6850.0*2e   prova   2599
         QG1    77 GLY  HN      7.00  # m w 5     2503.0*2e   prova   2456
 76 ILE  
         HN     76 ILE  HB      5.90  #     2     1906.0  e   prova   2949
         HN     76 ILE  QG2     4.20  #     1M   33970.0  e   prova    890
         HN     76 ILE  HG12    4.40  #     1    25400.0  e   prova    889
         HN     76 ILE  HG13    4.10  #     1    35650.0  e   prova    888
         HN     76 ILE  QD1     5.50  #     1M    6377.0  e   prova    909
         HN     77 GLY  HN      3.00  #     2   100700.0  e   prova   1573
         HA     76 ILE  HB      4.70  #     2     7579.0  e   prova    891
         HA     76 ILE  QG2     5.70  #     1M    5558.0  e   prova    892
         HA     76 ILE  HG13    5.60  #     1     5576.0  e   prova    893
         HA     76 ILE  QD1     5.50  #     1M    6492.0  e   prova    894
         HB     76 ILE  QG2     3.40  #   s 1M  133900.0  e   prova    898
         HB     76 ILE  HG12    4.50  #     1    22580.0  e   prova    897
         HB     76 ILE  HG13    5.00  #     1    10910.0  e   prova    896
         HB     76 ILE  QD1     3.60  #     1M   84770.0  e   prova    913
         QG2    76 ILE  HG12    4.30  #     1M   29040.0  e   prova    919 ILE 76
         QG2    76 ILE  HG13    3.90  #     1M   56240.0  e   prova    914
         QG2    76 ILE  QD1     4.40  # m s 1M  125800.0  e   prova    915
         QG2    77 GLY  HN      6.50  #     5M    6227.0  e   prova   2466
         HG12   76 ILE  QD1     3.70  #     1M   71560.0  e   prova    917
         HG12   77 GLY  HN      6.00  #   w 5    12510.0  e   prova   2464
         HG13   76 ILE  QD1     4.00  #     1M   45170.0  e   prova    918
         HG13   77 GLY  HN      6.00  #   w 5     7151.0  e   prova   2467
         QD1    77 GLY  HN      7.00  #   w 5M    1707.0  e   prova   2884
 77 GLY  
         HN     77 GLY  HA1     4.30 <#     2    11480.0  e   prova    866 GLY 77
         HN     77 GLY  HA2     5.20 >#     2     3904.0  e   prova   2455
         HN     78 GLU- HN      5.40  #     2     2962.0  e   prova   3007
         HA1    78 GLU- HN      4.20  #     2    13290.0  e   prova   1577
         HA1    78 GLU- HA      5.30  #     2     3546.0  e   prova   2646
         HA1    78 GLU- QG      7.00  # m w 5     4131.0*2e   prova   2994
         HA2    78 GLU- HN      4.30  #     2    12320.0  e   prova   1576
 78 GLU- 
         HN     78 GLU- HA      4.70  #     2     7310.0  e   prova    211
         HN     78 GLU- QB      5.20  # i   2     8265.0*2e   prova    213
         HN     78 GLU- QG      6.80  # m   1     4760.5*2e   prova    212
         HN     79 LEU  HN      4.90  #     2     5853.0  e   prova   1578
         HA     78 GLU- QB      4.40  # m   2    49345.0*2e   prova    221
         HA     78 GLU- QG      5.30  # i   1    16550.0*2e   prova    215
         HA     79 LEU  QD1     4.80  #     5M   30790.0  e   prova   2469
         QB     78 GLU- QG      5.90  # mm  1    54625.0*4e   prova    222 GLU 78
 79 LEU  
         HN     79 LEU  HA      4.90  #     2     5790.0  e   prova   1022
         HN     79 LEU  QB      6.60  # i w 2      935.5*2e   prova   1023
         HN     79 LEU  QD1     4.40 <#     1M   24250.0  e   prova   1025
         HN     79 LEU  QD2     5.80 >#     1M    5105.0  e   prova   1024
         HN     80 HIS  HN      4.30  #     2    12930.0  e   prova   1580
         HA     79 LEU  QD1     5.10  #     1M   11040.0  e   prova   1027
         QB     79 LEU  HG      5.30  # m   1    27160.0*2e   prova   1028
         QB     79 LEU  QD1     5.60 <# m   1M   20465.0*2e   prova   1030
         QB     79 LEU  QD2     8.00 ># m   1M    1506.5*2e   prova   1031
         QB     87 ILE  QD1     7.50  # m   5M    6315.0*2e   prova   2554
         HG     79 LEU  QD1     6.00 >#     1M    4101.0  e   prova   1034
         HG     79 LEU  QD2     4.60 <#     1M   20050.0  e   prova   1029
         HG     80 HIS  HN      6.00  #   w 5     5318.0  e   prova   1020 HG79,HN80
         HG     83 ASP- HA      6.00  #   w 5     2784.0  e   prova   3089
         QD1    84 ARG+ QB      8.00  # m w 5M    3476.0*2e   prova   3031
         QD1    87 ILE  HB      6.70  #     5M    5510.0  e   prova   3035
         QD2    80 HIS  HN      5.60  #     5M   13370.0  e   prova   2471
         QD2    83 ASP- HN      7.00  #   w 5M    3844.0  e   prova   3028
         QD2    83 ASP- QB      6.10  # m   5M   20970.0*2e   prova   2474
         QD2    84 ARG+ HA      6.70  #     5M    5392.0  e   prova   2563
         QD2    87 ILE  QG1     5.30  # m   5M   49350.0*2e   prova   2597
 80 HIS  
         HN     80 HIS  HA      4.30  #     2    11590.0  e   prova    920
         HN     80 HIS  QB      4.60  # i   2    18000.0*2e   prova    921
         HN     80 HIS  HD2     6.00  #   w 1     1566.0  e   prova   2984
         HA     80 HIS  QB      5.30  # m   2    13025.0*2e   prova    925
         HA     80 HIS  HD2     5.20  #     1     8506.0  e   prova    923
         HA     81 PRO  HD3     4.60  #     5    67940.0  e   prova   1587
         QB     80 HIS  HD2     6.10  # m   1    10515.0*2e   prova    924
         QB     82 ASP- HN      7.00  # m w 3     1801.0*2e   prova   2478
         HD2    80 HIS  HE1     4.30  #     1    27080.0  e   prova    922
         HD2    81 PRO  HD3     6.00  #   w 5     3608.0  e   prova   2862
         HE1    81 PRO  HA      5.70  #     5    22730.0  e   prova   2477
 81 PRO  
         HA     81 PRO  QB      4.20  # m   2    68950.0*2e   prova    997
         HA     81 PRO  QG      5.80  # i   1     9190.0*2e   prova    998
         HA     81 PRO  HD2     3.70 <#     1    73440.0  e   prova   1002
         HA     81 PRO  HD3     6.00 >#   w 1     2234.0  e   prova    995
         HA     82 ASP- HN      5.00  #     2     5017.0  e   prova   1584
         HA     84 ARG+ HN      5.80  #     3     3499.0  e   prova   2747
         HA     84 ARG+ QB      6.30  # m   3     6040.0*2e   prova   2750
         HA     84 ARG+ QG      7.00  # m w 5     5135.0*2e   prova   3055
         QB     81 PRO  QG      6.60  # mm  1    19282.5*4e   prova   1009 PRO 81
         QB     81 PRO  HD2     4.40 <# m   1   119100.0*2e   prova   1001
         QB     81 PRO  HD3     5.80 ># m   1    13605.0*2e   prova    999
         QB     82 ASP- HN      5.50  # m   2     9180.0*2e   prova   1585
         QB     82 ASP- QB      8.00  # mmw 5    10035.0*4e   prova   2480
         QB     83 ASP- HN      6.50  # m   3     4758.0*2e   prova   2486
         QG     81 PRO  HD2     7.00 ># m w 1     1731.0*2e   prova   1008
         QG     81 PRO  HD3     5.30 <# m   1    28275.0*2e   prova   1000
         QG     82 ASP- QB      8.00  # mmw 5     1605.8*4e   prova   3052
         HD2    82 ASP- HN      6.00  #   w 5     4470.0  e   prova   2482
         HD3    82 ASP- HN      6.00  #   w 5     3505.0  e   prova   2934
 82 ASP- 
         HN     82 ASP- HA      5.10  #     2     4391.0  e   prova    936
         HN     82 ASP- QB      4.70  # i   2    17520.0*2e   prova    933
         HN     83 ASP- HN      3.50  #     2    40380.0  e   prova   1592
         HN     84 ARG+ HN      5.90  #     3     2931.0  e   prova   2751
         HN     84 ARG+ QD      7.00  # m w 5     2496.5*2e   prova   2889
         HN     86 LYS+ QG      7.00  # m w 5     1303.0*2e   prova   2500
         HA     82 ASP- QB      4.60  # i   2    17775.0*2e   prova    934
         HA     83 ASP- HN      4.60  #     2     7854.0  e   prova   1594
         HA     84 ARG+ HN      6.00  #   w 3     2540.0  e   prova   2890
         HA     85 SER  QB      7.00  # m w 3     1666.0*2e   prova   2905
         QB     83 ASP- HN      5.80  # m   2     6230.0*2e   prova   2863
         QB     84 ARG+ QB      8.00  # mmw 5    12025.0*4e   prova   2488
 83 ASP- 
         HN     83 ASP- HA      4.20  #     2    14890.0  e   prova    942
         HN     83 ASP- QB      4.60  # i   2    18335.0*2e   prova    939
         HN     84 ARG+ HN      3.50  #     2    44080.0  e   prova   1595
         HN     84 ARG+ HA      5.40  #     2     3270.0  e   prova   2886
         HN     85 SER  HN      6.00  #   w 3     1265.0  e   prova   2906
         HA     83 ASP- QB      4.80  # i   2    14810.0*2e   prova    940
         HA     84 ARG+ HN      4.10  #     2    16070.0  e   prova   1598
         HA     86 LYS+ HN      6.00  #   w 3     1067.0  e   prova   2891
         HA     86 LYS+ HA      6.00  #   w 3     1063.0  e   prova   2892
         HA     86 LYS+ HB3     4.80  #     3    11210.0  e   prova   2490
         HA     86 LYS+ QG      7.00  # m w 5    14270.0*2e   prova   2491
         HA     86 LYS+ QE      7.00  # m w 5     6645.0*2e   prova   2556
         QB     86 LYS+ HB3     7.00  # m w 5     5275.0*2e   prova   2866
         QB     86 LYS+ QE      7.30  # mm  5    34925.0*4e   prova   2493
         QB     87 ILE  QD1     8.00  # m w 5M    1584.0*2e   prova   2893
 84 ARG+ 
         HN     84 ARG+ HA      4.00  #     2    19460.0  e   prova    944
         HN     84 ARG+ QB      3.80  # i   2    78350.0*2e   prova    945
         HN     84 ARG+ QD      7.00  # m w 1     1454.0*2e   prova   2888
         HN     86 LYS+ QG      7.00  # m w 5     4823.5*2e   prova   2496
         HA     84 ARG+ QB      3.80  # i   2    69200.0*2e   prova    947
         HA     84 ARG+ QG      6.60  # i   1     3652.0*2e   prova    952
         HA     84 ARG+ QD      6.60  # m   1     5360.0*2e   prova    946
         HA     85 SER  HN      5.10  #     2     4258.0  e   prova   2896
         HA     85 SER  HA      4.40  #     2    10260.0  e   prova   2902
         HA     87 ILE  HN      5.70  #     3     3754.0  e   prova   2895
         QB     84 ARG+ QG      6.20  # mm  1    30675.0*4e   prova    956
         QB     84 ARG+ QD      6.30  # mm  1    27700.0*4e   prova    953
         QG     84 ARG+ QD      6.60  # mm  1    19367.5*4e   prova    949
 85 SER  
         HN     85 SER  HA      5.00  #     2     4715.0  e   prova   2899
         HN     85 SER  QB      5.50  # i   2     5245.0*2e   prova   2900
         HA     85 SER  QB      5.90  # m   2     5650.0*2e   prova   2904
         QB     86 LYS+ HA      6.30  # m   2     3604.0*2e   prova   2923
 86 LYS+ 
         HN     86 LYS+ HA      4.20  #     2    13220.0  e   prova    961
         HN     86 LYS+ HB2     3.60  #     2    33640.0  e   prova    959
         HN     86 LYS+ HB3     3.60  #     2    39020.0  e   prova    960
         HN     86 LYS+ QG      5.50  # m   1    20180.0*2e   prova    962
         HN     87 ILE  HN      4.50  #     2     9060.0  e   prova   1599
         HA     86 LYS+ HB3     3.00  #     2   101300.0  e   prova    964
         HA     86 LYS+ QG      5.60  # i   1    11135.0*2e   prova    963
         HA     86 LYS+ QE      6.60  # m   1     5685.0*2e   prova    965
         HA     87 ILE  HN      4.10  #     2    17200.0  e   prova   1601
         HB2    86 LYS+ QG      5.70  # m   1    16780.0*2e   prova    968
         HB3    86 LYS+ QG      5.40  # m   1    23585.0*2e   prova    971
         HB3    86 LYS+ QE      5.60  # m   1    18170.0*2e   prova    966
         HB3    87 ILE  HN      4.50  #     2     9775.0  e   prova   1603
         HB3    87 ILE  HA      3.60  #     2    36770.0  e   prova   2497
         QG     86 LYS+ QE      7.50  # mm  1     6167.5*4e   prova    967
 87 ILE  
         HN     87 ILE  HA      4.00  #     2    19300.0  e   prova    186
         HN     87 ILE  HB      3.70  #     2    32060.0  e   prova    187
         HN     87 ILE  QG1     5.90  # m   1    13330.0*2e   prova    189
         HN     87 ILE  QD1     4.00  #     1M   45900.0  e   prova    188
         HN     88 ALA  HN      4.30  #     2    12060.0  e   prova   1605
         HA     87 ILE  HB      3.60  #     2    38530.0  e   prova    204 ILE 87
         HA     87 ILE  QG1     4.70  # i   1    35875.0*2e   prova    190
         HA     87 ILE  QD1     4.60  #     1M   20480.0  e   prova    191
         HA     88 ALA  HN      3.90  #     2    23030.0  e   prova   1607
         HB     87 ILE  QG1     4.80  # m   1    58200.0*2e   prova    196
         HB     87 ILE  QD1     5.40  #     1M    7269.0  e   prova    200
         HB     88 ALA  HN      4.70  #     2     7160.0  e   prova   1609
         QG1    87 ILE  QD1     5.50  # m   1M   22085.0*2e   prova    197
         QG1    88 ALA  HN      7.00  # m w 5     4220.0*2e   prova   2499
 88 ALA  
         HN     88 ALA  HA      4.10  #     2    17270.0  e   prova    205
         HN     88 ALA  QB      3.40  #   s 2M   60450.0  e   prova    206
         HA     88 ALA  QB      3.40  #   s 2M   70110.0  e   prova    207
         HA     89 LYS+ HN      3.80  #     2    25430.0  e   prova   1610
         QB     89 LYS+ HN      4.20  #     2M   12060.0  e   prova   1613 Sequence
 89 LYS+ 
         HN     89 LYS+ HA      4.40  #     2    10190.0  e   prova    983
         HN     89 LYS+ QB      5.10  # i   2     9880.0*2e   prova    984
         HN     89 LYS+ QG      7.00  # m w 1     1536.0*2e   prova    989 LYS 89
         HA     89 LYS+ QG      6.60  # i w 1      488.0*2e   prova    986
         QB     89 LYS+ QG      6.40  # mm  1    25350.0*4e   prova    988
 91 SER  
         HN     91 SER  HA      6.00  #   w 2     1335.2  e   only800 3221 NH91,HA91
         HN     91 SER  QB      6.60  # i w 2      648.4*2e   only800 3222 NH91,QB91
         HA     92 GLU- HN      4.90  #     2     5548.5  e   only800 3220 HN92,HA91
         QB     92 GLU- HN      7.00  # m w 2      730.5*2e   only800 3224 NH92,QB91
 92 GLU- 
         HN     92 GLU- HB2     6.00  #   w 2     1222.2  e   only800 3217 HB192,HN92
         HN     92 GLU- HB3     5.90  #     2     1775.4  e   only800 3218 HN92,HB292
         HN     92 GLU- QG      7.00  # m w 1      989.5*2e   only800 3216 HN92,QG92

  Entry H atom name         Submitted Coord H atom name
    1    H    LYS   5           HN       LYS   5  -5.555 -10.640   6.070
    2    HA   LYS   5           HA       LYS   5  -6.459 -13.183   5.398
    3   1HB   LYS   5          2HB       LYS   5  -8.264 -11.054   4.576
    4   2HB   LYS   5          3HB       LYS   5  -7.391 -11.575   3.134
    5   1HG   LYS   5          2HG       LYS   5  -8.026 -13.917   3.559
    6   2HG   LYS   5          3HG       LYS   5  -8.836 -13.434   5.068
    7   1HD   LYS   5          2HG       LYS   5 -10.396 -12.008   3.791
    8   2HD   LYS   5          3HG       LYS   5  -9.589 -12.467   2.273
    9   1HE   LYS   5          2HE       LYS   5 -10.177 -14.857   2.677
   10   2HE   LYS   5          3HE       LYS   5 -10.957 -14.419   4.208
   11   1HZ   LYS   5          2HNZ      LYS   5 -11.820 -13.518   1.539
   12   2HZ   LYS   5          1HNZ      LYS   5 -12.536 -14.690   2.443
   13   3HZ   LYS   5          3HNZ      LYS   5 -12.547 -13.134   2.969
   14    H    TYR   6           HN       TYR   6  -5.196 -13.946   3.621
   15    HA   TYR   6           HA       TYR   6  -2.790 -12.277   3.184
   16   1HB   TYR   6          2HB       TYR   6  -3.413 -15.122   2.406
   17   2HB   TYR   6          3HB       TYR   6  -1.822 -14.356   2.479
   18    HD1  TYR   6          1HD       TYR   6  -1.975 -13.003   5.188
   19    HD2  TYR   6          2HG       TYR   6  -3.283 -16.921   3.926
   20    HE1  TYR   6          1HE       TYR   6  -1.932 -13.762   7.521
   21    HE2  TYR   6          2HE       TYR   6  -3.235 -17.679   6.284
   22    HH   TYR   6           HOH      TYR   6  -2.355 -15.497   8.972
   23    H    TYR   7           HN       TYR   7  -1.915 -12.061   1.063
   24    HA   TYR   7           HA       TYR   7  -3.542 -12.524  -1.302
   25   1HB   TYR   7          2HB       TYR   7  -2.657  -9.761  -0.380
   26   2HB   TYR   7          3HB       TYR   7  -3.047 -10.149  -2.051
   27    HD1  TYR   7          1HD       TYR   7  -5.386 -11.308  -2.469
   28    HD2  TYR   7          2HG       TYR   7  -4.429  -8.940   1.007
   29    HE1  TYR   7          1HE       TYR   7  -7.787 -10.861  -2.113
   30    HE2  TYR   7          2HE       TYR   7  -6.837  -8.456   1.329
   31    HH   TYR   7           HOH      TYR   7  -9.344  -9.684  -0.895
   32    H    THR   8           HN       THR   8  -2.092 -12.576  -3.169
   33    HA   THR   8           HA       THR   8   0.742 -13.022  -2.433
   34    HB   THR   8           HB       THR   8   0.634 -14.067  -4.787
   35    HG1  THR   8           HOG      THR   8  -1.534 -14.526  -5.455
   36   1HG2  THR   8          2HG       THR   8  -1.193 -15.220  -2.616
   37   2HG2  THR   8          3HG       THR   8  -0.486 -16.123  -3.970
   38   3HG2  THR   8          1HG       THR   8   0.568 -15.438  -2.720
   39    H    LEU   9           HN       LEU   9   2.391 -11.943  -3.597
   40    HA   LEU   9           HA       LEU   9   2.166  -9.444  -4.432
   41   1HB   LEU   9          2HB       LEU   9   4.213 -11.254  -4.376
   42   2HB   LEU   9          3HB       LEU   9   3.997 -11.121  -6.112
   43    HG   LEU   9           HG       LEU   9   3.931  -8.551  -5.586
   44   1HD1  LEU   9          1HD1      LEU   9   3.931  -8.802  -3.099
   45   2HD1  LEU   9          2HD1      LEU   9   5.534  -9.553  -3.191
   46   3HD1  LEU   9          3HD1      LEU   9   5.317  -7.858  -3.672
   47   1HD2  LEU   9          1HG2      LEU   9   5.692  -9.646  -6.931
   48   2HD2  LEU   9          2HG2      LEU   9   6.403  -8.416  -5.870
   49   3HD2  LEU   9          3HG2      LEU   9   6.535 -10.138  -5.444
   50    H    GLU  10           HN       GLU  10   1.339 -12.237  -6.462
   51    HA   GLU  10           HA       GLU  10   1.182 -10.990  -8.962
   52   1HB   GLU  10          2HB       GLU  10   0.909 -13.477  -8.441
   53   2HB   GLU  10          3HB       GLU  10  -0.751 -13.124  -7.950
   54   1HG   GLU  10          2HG       GLU  10  -0.901 -11.963 -10.309
   55   2HG   GLU  10          3HG       GLU  10   0.536 -12.902 -10.683
   56    H    GLU  11           HN       GLU  11  -1.515 -11.449  -6.601
   57    HA   GLU  11           HA       GLU  11  -3.399  -9.959  -8.148
   58   1HB   GLU  11          2HB       GLU  11  -3.496 -11.514  -5.765
   59   2HB   GLU  11          3HB       GLU  11  -3.959  -9.870  -5.279
   60   1HG   GLU  11          2HG       GLU  11  -5.948 -11.071  -5.864
   61   2HG   GLU  11          3HG       GLU  11  -5.664  -9.843  -7.106
   62    H    ILE  12           HN       ILE  12  -1.278  -9.141  -5.445
   63    HA   ILE  12           HA       ILE  12  -2.015  -6.458  -5.013
   64    HB   ILE  12           HB       ILE  12   0.638  -7.909  -4.845
   65   1HG1  ILE  12          2HG1      ILE  12  -1.307  -8.648  -3.348
   66   2HG1  ILE  12          3HG1      ILE  12   0.231  -8.278  -2.573
   67   1HG2  ILE  12          2HG2      ILE  12   0.007  -5.135  -3.815
   68   2HG2  ILE  12          3HG2      ILE  12   1.392  -6.114  -3.310
   69   3HG2  ILE  12          1HG2      ILE  12   1.260  -5.636  -4.992
   70   1HD1  ILE  12          3HG       ILE  12  -1.983  -6.211  -2.773
   71   2HD1  ILE  12          1HD       ILE  12  -1.886  -7.411  -1.462
   72   3HD1  ILE  12          2HG       ILE  12  -0.584  -6.219  -1.694
   73    H    GLN  13           HN       GLN  13   0.684  -7.571  -7.120
   74    HA   GLN  13           HA       GLN  13   1.315  -5.217  -8.355
   75   1HB   GLN  13          2HB       GLN  13   2.506  -7.468  -8.501
   76   2HB   GLN  13          3HB       GLN  13   1.363  -7.874  -9.795
   77   1HG   GLN  13          2HG       GLN  13   2.159  -5.630 -10.886
   78   2HG   GLN  13          3HG       GLN  13   3.440  -5.644  -9.670
   79   1HE2  GLN  13          2HNE      GLN  13   5.405  -7.686 -11.809
   80   2HE2  GLN  13          1HNE      GLN  13   5.358  -6.478 -10.545
   81    H    LYS  14           HN       LYS  14  -1.294  -7.498  -9.396
   82    HA   LYS  14           HA       LYS  14  -2.010  -6.097 -11.790
   83   1HB   LYS  14          2HB       LYS  14  -3.809  -7.544  -9.805
   84   2HB   LYS  14          3HB       LYS  14  -4.314  -6.978 -11.397
   85   1HG   LYS  14          2HG       LYS  14  -2.774  -8.507 -12.508
   86   2HG   LYS  14          3HG       LYS  14  -2.095  -8.994 -10.945
   87   1HD   LYS  14          2HG       LYS  14  -4.380  -9.752 -10.232
   88   2HD   LYS  14          3HG       LYS  14  -4.988  -9.439 -11.860
   89   1HE   LYS  14          2HE       LYS  14  -3.579 -11.185 -12.811
   90   2HE   LYS  14          3HE       LYS  14  -2.565 -11.206 -11.373
   91   1HZ   LYS  14          2HNZ      LYS  14  -4.579 -12.012 -10.152
   92   2HZ   LYS  14          3HNZ      LYS  14  -5.201 -12.408 -11.605
   93   3HZ   LYS  14          1HNZ      LYS  14  -3.741 -13.042 -11.109
   94    H    HIS  15           HN       HIS  15  -2.963  -5.610  -8.378
   95    HA   HIS  15           HA       HIS  15  -4.902  -3.529  -9.063
   96   1HB   HIS  15          2HB       HIS  15  -3.919  -4.642  -6.410
   97   2HB   HIS  15          3HB       HIS  15  -5.283  -3.546  -6.619
   98    HD1  HIS  15           HND      HIS  15  -6.158  -6.078  -5.285
   99    HD2  HIS  15           HD       HIS  15  -5.712  -5.854  -9.451
  100    HE1  HIS  15           HE       HIS  15  -7.619  -7.902  -6.276
  101    H    LYS  16           HN       LYS  16  -3.078  -2.277 -10.193
  102    HA   LYS  16           HA       LYS  16  -1.290  -0.755  -8.420
  103   1HB   LYS  16          2HB       LYS  16  -1.637  -1.188 -11.397
  104   2HB   LYS  16          3HB       LYS  16  -0.953   0.348 -10.844
  105   1HG   LYS  16          2HG       LYS  16   0.828  -0.667  -9.696
  106   2HG   LYS  16          3HG       LYS  16   0.130  -2.292  -9.836
  107   1HD   LYS  16          2HG       LYS  16   0.447  -2.268 -12.256
  108   2HD   LYS  16          3HG       LYS  16   1.004  -0.575 -12.204
  109   1HE   LYS  16          2HE       LYS  16   2.939  -1.237 -10.789
  110   2HE   LYS  16          3HE       LYS  16   2.379  -2.917 -10.782
  111   1HZ   LYS  16          3HNZ      LYS  16   3.231  -1.415 -13.171
  112   2HZ   LYS  16          1HNZ      LYS  16   4.121  -2.550 -12.381
  113   3HZ   LYS  16          2HNZ      LYS  16   2.733  -2.987 -13.150
  114    H    ASP  17           HN       ASP  17  -3.916  -0.186 -10.889
  115    HA   ASP  17           HA       ASP  17  -4.766   2.162  -9.382
  116   1HB   ASP  17          2HB       ASP  17  -3.873   3.714 -10.907
  117   2HB   ASP  17          3HB       ASP  17  -2.544   2.604 -10.502
  118    H    SER  18           HN       SER  18  -6.685   2.992 -10.042
  119    HA   SER  18           HA       SER  18  -8.507   3.455 -11.199
  120   1HB   SER  18          2HB       SER  18  -7.208   3.115 -13.379
  121   2HB   SER  18          3HB       SER  18  -7.824   1.447 -13.384
  122    HG   SER  18           HOG      SER  18  -9.192   2.926 -14.514
  123    H    LYS  19           HN       LYS  19  -9.617   2.648  -9.499
  124    HA   LYS  19           HA       LYS  19 -11.307   1.490  -8.670
  125   1HB   LYS  19          2HB       LYS  19 -11.701   1.135 -11.143
  126   2HB   LYS  19          3HB       LYS  19 -11.045  -0.487 -10.934
  127   1HG   LYS  19          2HG       LYS  19 -13.437  -0.565 -10.931
  128   2HG   LYS  19          3HG       LYS  19 -12.832  -1.081  -9.365
  129   1HD   LYS  19          2HG       LYS  19 -13.486   1.849  -9.660
  130   2HD   LYS  19          3HG       LYS  19 -14.862   0.778  -9.821
  131   1HE   LYS  19          2HE       LYS  19 -12.990   0.817  -7.390
  132   2HE   LYS  19          3HE       LYS  19 -14.551   1.635  -7.503
  133   1HZ   LYS  19          2HNZ      LYS  19 -15.569  -0.533  -7.828
  134   2HZ   LYS  19          3HNZ      LYS  19 -14.103  -1.268  -7.648
  135   3HZ   LYS  19          1HNZ      LYS  19 -14.764  -0.439  -6.398
  136    H    SER  20           HN       SER  20  -8.235   0.094  -9.007
  137    HA   SER  20           HA       SER  20  -8.531  -1.454  -6.546
  138   1HB   SER  20          2HB       SER  20  -7.804  -2.743  -9.217
  139   2HB   SER  20          3HB       SER  20  -7.452  -3.464  -7.638
  140    HG   SER  20           HOG      SER  20 -10.069  -2.610  -8.065
  141    H    THR  21           HN       THR  21  -6.954  -0.146  -5.529
  142    HA   THR  21           HA       THR  21  -4.320   0.164  -6.856
  143    HB   THR  21           HB       THR  21  -5.995   2.277  -5.455
  144    HG1  THR  21           HOG      THR  21  -5.802   3.092  -7.787
  145   1HG2  THR  21          3HG       THR  21  -3.383   2.431  -5.486
  146   2HG2  THR  21          1HG       THR  21  -3.642   3.017  -7.140
  147   3HG2  THR  21          2HG       THR  21  -4.398   3.842  -5.787
  148    H    TRP  22           HN       TRP  22  -3.622  -1.539  -5.414
  149    HA   TRP  22           HA       TRP  22  -4.162  -1.074  -2.508
  150   1HB   TRP  22          2HB       TRP  22  -3.292  -3.580  -3.947
  151   2HB   TRP  22          3HB       TRP  22  -3.619  -3.403  -2.218
  152    HD1  TRP  22           HD       TRP  22  -6.399  -1.674  -3.805
  153    HE1  TRP  22           HNE      TRP  22  -8.466  -3.131  -3.869
  154    HE3  TRP  22           HE       TRP  22  -4.200  -6.219  -2.961
  155    HZ2  TRP  22          1HZ       TRP  22  -9.126  -5.935  -3.583
  156    HZ3  TRP  22          2HZ       TRP  22  -5.566  -8.269  -2.935
  157    HH2  TRP  22           HH       TRP  22  -8.036  -8.144  -3.201
  158    H    VAL  23           HN       VAL  23  -2.380  -1.530  -0.969
  159    HA   VAL  23           HA       VAL  23   0.353  -1.125  -2.096
  160    HB   VAL  23           HB       VAL  23   0.668   0.633  -0.328
  161   1HG1  VAL  23          2HG1      VAL  23   0.285   1.223  -2.731
  162   2HG1  VAL  23          3HG1      VAL  23  -1.447   1.445  -2.366
  163   3HG1  VAL  23          1HG1      VAL  23  -0.230   2.474  -1.595
  164   1HG2  VAL  23          1HG2      VAL  23  -1.401   0.127   1.075
  165   2HG2  VAL  23          2HG2      VAL  23  -1.205   1.819   0.631
  166   3HG2  VAL  23          3HG2      VAL  23  -2.379   0.807  -0.228
  167    H    ILE  24           HN       ILE  24   1.940  -2.352  -0.845
  168    HA   ILE  24           HA       ILE  24   0.755  -3.779   1.468
  169    HB   ILE  24           HB       ILE  24   3.529  -3.968   0.256
  170   1HG1  ILE  24          2HG1      ILE  24   1.367  -6.013  -0.141
  171   2HG1  ILE  24          3HG1      ILE  24   1.579  -4.703  -1.301
  172   1HG2  ILE  24          1HG2      ILE  24   3.372  -4.686   2.628
  173   2HG2  ILE  24          2HG2      ILE  24   1.997  -5.733   2.224
  174   3HG2  ILE  24          3HG2      ILE  24   3.613  -6.080   1.594
  175   1HD1  ILE  24          1HD       ILE  24   3.919  -6.475  -0.533
  176   2HD1  ILE  24          3HG       ILE  24   2.839  -6.843  -1.868
  177   3HD1  ILE  24          2HG       ILE  24   3.784  -5.341  -1.877
  178    H    LEU  25           HN       LEU  25   0.639  -2.228   3.157
  179    HA   LEU  25           HA       LEU  25   3.078  -0.601   3.702
  180   1HB   LEU  25          2HB       LEU  25   0.200  -0.117   4.427
  181   2HB   LEU  25          3HB       LEU  25   1.572   0.857   4.986
  182    HG   LEU  25           HG       LEU  25   0.515   0.583   2.152
  183   1HD1  LEU  25          1HD1      LEU  25   0.930   2.923   4.056
  184   2HD1  LEU  25          3HD1      LEU  25   0.549   3.131   2.337
  185   3HD1  LEU  25          2HD1      LEU  25  -0.599   2.339   3.393
  186   1HD2  LEU  25          1HG2      LEU  25   3.169   1.694   3.071
  187   2HD2  LEU  25          2HG2      LEU  25   2.837   0.472   1.826
  188   3HD2  LEU  25          3HG2      LEU  25   2.412   2.152   1.524
  189    H    HIS  26           HN       HIS  26   4.347  -1.687   4.989
  190    HA   HIS  26           HA       HIS  26   5.177  -2.632   6.813
  191   1HB   HIS  26          2HB       HIS  26   4.080  -0.462   7.762
  192   2HB   HIS  26          3HB       HIS  26   2.871  -1.537   8.469
  193    HD1  HIS  26           HND      HIS  26   6.461  -0.319   8.889
  194    HD2  HIS  26           HD       HIS  26   3.836  -3.237  10.465
  195    HE1  HIS  26           HE       HIS  26   7.523  -1.202  11.018
  196    H    HIS  27           HN       HIS  27   4.043  -4.172   5.232
  197    HA   HIS  27           HA       HIS  27   3.092  -6.209   4.882
  198   1HB   HIS  27          2HB       HIS  27   3.772  -6.630   7.823
  199   2HB   HIS  27          3HB       HIS  27   3.169  -7.895   6.753
  200    HD1  HIS  27           HND      HIS  27   6.402  -6.365   7.739
  201    HD2  HIS  27           HD       HIS  27   4.711  -8.462   4.502
  202    HE1  HIS  27           HE       HIS  27   8.347  -7.356   6.400
  203    H    LYS  28           HN       LYS  28   1.188  -4.689   4.644
  204    HA   LYS  28           HA       LYS  28  -1.109  -5.885   5.604
  205   1HB   LYS  28          2HB       LYS  28  -0.100  -3.795   7.346
  206   2HB   LYS  28          3HB       LYS  28  -1.641  -3.297   6.656
  207   1HG   LYS  28          2HG       LYS  28  -2.835  -4.952   7.736
  208   2HG   LYS  28          3HG       LYS  28  -1.535  -6.131   7.613
  209   1HD   LYS  28          2HG       LYS  28  -0.239  -4.993   9.343
  210   2HD   LYS  28          3HG       LYS  28  -1.600  -3.908   9.642
  211   1HE   LYS  28          2HE       LYS  28  -2.768  -5.585  10.804
  212   2HE   LYS  28          3HE       LYS  28  -2.498  -6.745   9.522
  213   1HZ   LYS  28          3HNZ      LYS  28  -0.141  -6.834  10.496
  214   2HZ   LYS  28          1HNZ      LYS  28  -0.917  -6.381  11.897
  215   3HZ   LYS  28          2HNZ      LYS  28  -1.332  -7.745  11.051
  216    H    VAL  29           HN       VAL  29  -2.551  -5.742   4.127
  217    HA   VAL  29           HA       VAL  29  -1.993  -3.995   1.839
  218    HB   VAL  29           HB       VAL  29  -4.171  -6.089   2.052
  219   1HG1  VAL  29          3HG1      VAL  29  -4.260  -4.400   0.185
  220   2HG1  VAL  29          1HG1      VAL  29  -2.631  -4.909  -0.303
  221   3HG1  VAL  29          2HG1      VAL  29  -3.987  -6.058  -0.388
  222   1HG2  VAL  29          1HG2      VAL  29  -1.247  -6.441   1.346
  223   2HG2  VAL  29          2HG2      VAL  29  -2.259  -7.333   2.516
  224   3HG2  VAL  29          3HG2      VAL  29  -2.524  -7.548   0.790
  225    H    TYR  30           HN       TYR  30  -3.090  -2.131   1.581
  226    HA   TYR  30           HA       TYR  30  -5.774  -1.802   2.734
  227   1HB   TYR  30          2HB       TYR  30  -3.930   0.478   2.012
  228   2HB   TYR  30          3HB       TYR  30  -5.461   0.542   2.878
  229    HD1  TYR  30          1HD       TYR  30  -4.726  -1.739   4.921
  230    HD2  TYR  30          2HG       TYR  30  -2.674   1.758   3.521
  231    HE1  TYR  30          1HE       TYR  30  -3.335  -1.720   6.985
  232    HE2  TYR  30          2HE       TYR  30  -1.116   1.591   5.473
  233    HH   TYR  30           HOH      TYR  30  -1.164   0.929   7.754
  234    H    ASP  31           HN       ASP  31  -7.071  -1.551   1.148
  235    HA   ASP  31           HA       ASP  31  -6.193  -0.989  -1.644
  236   1HB   ASP  31          2HB       ASP  31  -8.365  -1.116  -2.364
  237   2HB   ASP  31          3HB       ASP  31  -8.395  -2.320  -1.073
  238    H    LEU  32           HN       LEU  32  -6.054   1.131  -2.405
  239    HA   LEU  32           HA       LEU  32  -7.597   3.146  -0.947
  240   1HB   LEU  32          2HB       LEU  32  -5.622   4.722  -0.989
  241   2HB   LEU  32          3HB       LEU  32  -5.522   3.357   0.108
  242    HG   LEU  32           HG       LEU  32  -4.043   2.185  -1.605
  243   1HD1  LEU  32          1HD1      LEU  32  -3.932   5.024  -2.741
  244   2HD1  LEU  32          2HD1      LEU  32  -2.844   3.684  -3.168
  245   3HD1  LEU  32          3HD1      LEU  32  -4.563   3.584  -3.569
  246   1HD2  LEU  32          2HG2      LEU  32  -3.234   4.782  -0.248
  247   2HD2  LEU  32          3HG2      LEU  32  -3.249   3.146   0.450
  248   3HD2  LEU  32          1HG2      LEU  32  -2.104   3.551  -0.846
  249    H    THR  33           HN       THR  33  -8.088   1.720  -3.276
  250    HA   THR  33           HA       THR  33  -8.007   3.447  -5.590
  251    HB   THR  33           HB       THR  33  -8.418   1.143  -5.875
  252    HG1  THR  33           HOG      THR  33 -10.703   2.668  -6.426
  253   1HG2  THR  33          3HG       THR  33 -10.957   1.451  -4.210
  254   2HG2  THR  33          1HG       THR  33 -10.550   0.044  -5.207
  255   3HG2  THR  33          2HG       THR  33  -9.548   0.457  -3.818
  256    H    LYS  34           HN       LYS  34  -8.476   5.359  -3.912
  257    HA   LYS  34           HA       LYS  34 -10.729   6.655  -4.972
  258   1HB   LYS  34          2HB       LYS  34 -12.030   5.222  -3.331
  259   2HB   LYS  34          3HB       LYS  34 -11.006   5.826  -2.044
  260   1HG   LYS  34          2HG       LYS  34 -12.935   6.985  -1.773
  261   2HG   LYS  34          3HG       LYS  34 -11.952   8.183  -2.578
  262   1HD   LYS  34          2HG       LYS  34 -13.910   6.322  -4.049
  263   2HD   LYS  34          3HG       LYS  34 -14.472   7.780  -3.254
  264   1HE   LYS  34          2HE       LYS  34 -12.484   7.723  -5.577
  265   2HE   LYS  34          3HE       LYS  34 -14.193   8.116  -5.665
  266   1HZ   LYS  34          3HNZ      LYS  34 -13.790  10.032  -4.275
  267   2HZ   LYS  34          1HNZ      LYS  34 -12.182   9.673  -4.167
  268   3HZ   LYS  34          2HNZ      LYS  34 -12.828  10.074  -5.589
  269    H    PHE  35           HN       PHE  35  -8.812   6.335  -2.044
  270    HA   PHE  35           HA       PHE  35  -8.444   8.966  -1.294
  271   1HB   PHE  35          2HB       PHE  35  -7.936   6.920   0.026
  272   2HB   PHE  35          3HB       PHE  35  -6.546   6.630  -1.026
  273    HD1  PHE  35          2HG       PHE  35  -8.033   9.209   1.274
  274    HD2  PHE  35          1HD       PHE  35  -4.429   7.522  -0.422
  275    HE1  PHE  35          2HE       PHE  35  -6.686  10.863   2.494
  276    HE2  PHE  35          1HE       PHE  35  -3.079   9.081   0.912
  277    HZ   PHE  35           HZ       PHE  35  -4.200  10.847   2.284
  278    H    LEU  36           HN       LEU  36  -6.832   7.206  -3.867
  279    HA   LEU  36           HA       LEU  36  -4.728   8.703  -4.757
  280   1HB   LEU  36          2HB       LEU  36  -7.196   7.677  -6.174
  281   2HB   LEU  36          3HB       LEU  36  -5.888   8.448  -7.072
  282    HG   LEU  36           HG       LEU  36  -5.352   6.075  -5.243
  283   1HD1  LEU  36          3HD1      LEU  36  -6.393   6.203  -8.085
  284   2HD1  LEU  36          1HD1      LEU  36  -5.264   4.932  -7.616
  285   3HD1  LEU  36          2HD1      LEU  36  -6.828   5.086  -6.767
  286   1HD2  LEU  36          1HG2      LEU  36  -3.420   7.464  -6.015
  287   2HD2  LEU  36          2HG2      LEU  36  -3.353   5.824  -6.651
  288   3HD2  LEU  36          3HG2      LEU  36  -3.893   7.147  -7.697
  289    H    GLU  37           HN       GLU  37  -8.123   9.713  -4.997
  290    HA   GLU  37           HA       GLU  37  -7.550  12.187  -6.382
  291   1HB   GLU  37          2HB       GLU  37  -9.616  10.648  -6.437
  292   2HB   GLU  37          3HB       GLU  37 -10.055  11.355  -4.873
  293   1HG   GLU  37          2HG       GLU  37 -10.174  13.596  -5.976
  294   2HG   GLU  37          3HG       GLU  37  -9.696  12.851  -7.509
  295    H    GLU  38           HN       GLU  38  -7.476  11.214  -3.074
  296    HA   GLU  38           HA       GLU  38  -8.480  13.742  -1.957
  297   1HB   GLU  38          2HB       GLU  38  -9.315  11.343  -1.497
  298   2HB   GLU  38          3HB       GLU  38  -7.822  11.123  -0.569
  299   1HG   GLU  38          2HG       GLU  38  -8.521  12.969   0.933
  300   2HG   GLU  38          3HG       GLU  38 -10.005  13.174  -0.022
  301    H    HIS  39           HN       HIS  39  -5.640  11.570  -1.820
  302    HA   HIS  39           HA       HIS  39  -4.192  12.648   0.250
  303   1HB   HIS  39          2HB       HIS  39  -3.629  10.663  -1.227
  304   2HB   HIS  39          3HB       HIS  39  -3.063  11.777  -2.440
  305    HD1  HIS  39           HND      HIS  39  -0.540  11.896  -2.451
  306    HD2  HIS  39           HD       HIS  39  -2.128  11.101   1.352
  307    HE1  HIS  39           HE       HIS  39   1.423  11.640  -0.866
  308    HA   PRO  40           HA       PRO  40  -3.193  16.776  -1.268
  309   1HB   PRO  40          2HB       PRO  40  -1.058  17.473   0.347
  310   2HB   PRO  40          3HB       PRO  40  -2.749  17.441   0.926
  311   1HG   PRO  40          2HG       PRO  40  -0.671  15.247   1.191
  312   2HG   PRO  40          3HG       PRO  40  -1.716  15.920   2.475
  313   1HD   PRO  40          2HG       PRO  40  -2.376  13.644   1.223
  314   2HD   PRO  40          3HG       PRO  40  -3.651  14.841   1.565
  315    H    GLY  41           HN       GLY  41  -0.872  14.224  -1.286
  316   1HA   GLY  41          2HA       GLY  41   0.749  15.597  -3.357
  317   2HA   GLY  41          3HA       GLY  41   0.947  14.043  -2.549
  318    H    GLY  42           HN       GLY  42  -2.293  14.221  -3.522
  319   1HA   GLY  42          2HA       GLY  42  -3.525  13.233  -5.066
  320   2HA   GLY  42          3HA       GLY  42  -2.358  13.868  -6.223
  321    H    GLU  43           HN       GLU  43  -2.913  12.050  -7.430
  322    HA   GLU  43           HA       GLU  43  -2.708   9.428  -6.476
  323   1HB   GLU  43          2HB       GLU  43  -2.755   8.744  -8.927
  324   2HB   GLU  43          3HB       GLU  43  -4.152   9.582  -8.256
  325   1HG   GLU  43          2HG       GLU  43  -3.623  11.628  -9.386
  326   2HG   GLU  43          3HG       GLU  43  -2.025  11.029  -9.885
  327    H    GLU  44           HN       GLU  44  -0.421  11.116  -8.624
  328    HA   GLU  44           HA       GLU  44   1.264   9.345  -9.561
  329   1HB   GLU  44          2HB       GLU  44   2.071  11.891  -8.083
  330   2HB   GLU  44          3HB       GLU  44   3.156  10.960  -9.128
  331   1HG   GLU  44          2HG       GLU  44   1.566  11.270 -11.030
  332   2HG   GLU  44          3HG       GLU  44   0.548  12.293 -10.002
  333    H    VAL  45           HN       VAL  45   2.018  10.551  -6.289
  334    HA   VAL  45           HA       VAL  45   4.118   8.755  -5.822
  335    HB   VAL  45           HB       VAL  45   4.042   9.470  -3.530
  336   1HG1  VAL  45          1HG1      VAL  45   4.836  11.065  -5.282
  337   2HG1  VAL  45          2HG1      VAL  45   3.228  11.826  -5.287
  338   3HG1  VAL  45          3HG1      VAL  45   4.214  11.857  -3.824
  339   1HG2  VAL  45          1HG2      VAL  45   1.233  10.495  -4.130
  340   2HG2  VAL  45          2HG2      VAL  45   1.732   9.320  -2.883
  341   3HG2  VAL  45          3HG2      VAL  45   2.223  11.014  -2.759
  342    H    LEU  46           HN       LEU  46   0.643   8.327  -5.259
  343    HA   LEU  46           HA       LEU  46   0.939   5.854  -3.687
  344   1HB   LEU  46          2HB       LEU  46  -1.493   6.934  -5.193
  345   2HB   LEU  46          3HB       LEU  46  -1.482   5.685  -3.968
  346    HG   LEU  46           HG       LEU  46  -0.533   8.515  -3.313
  347   1HD1  LEU  46          2HD1      LEU  46  -3.366   7.449  -3.281
  348   2HD1  LEU  46          3HD1      LEU  46  -2.814   8.872  -2.371
  349   3HD1  LEU  46          1HD1      LEU  46  -2.694   8.875  -4.132
  350   1HD2  LEU  46          2HG2      LEU  46  -0.002   6.645  -1.798
  351   2HD2  LEU  46          3HG2      LEU  46  -1.072   7.847  -1.044
  352   3HD2  LEU  46          1HG2      LEU  46  -1.732   6.291  -1.608
  353    H    ARG  47           HN       ARG  47  -0.065   6.803  -6.925
  354    HA   ARG  47           HA       ARG  47  -0.638   4.333  -7.927
  355   1HB   ARG  47          2HB       ARG  47  -1.018   6.663  -8.953
  356   2HB   ARG  47          3HB       ARG  47   0.642   6.575  -9.557
  357   1HG   ARG  47          2HG       ARG  47  -0.082   4.335 -10.667
  358   2HG   ARG  47          3HG       ARG  47  -1.736   4.804 -10.224
  359   1HD   ARG  47          2HG       ARG  47  -1.440   6.936 -11.510
  360   2HD   ARG  47          3HG       ARG  47   0.203   6.402 -11.930
  361    HE   ARG  47           HNE      ARG  47  -2.173   4.682 -12.641
  362   1HH1  ARG  47          2HN2      ARG  47   0.331   6.853 -13.893
  363   2HH1  ARG  47          2HN1      ARG  47   0.236   6.216 -15.507
  364   1HH2  ARG  47          2HN1      ARG  47  -2.343   3.916 -14.569
  365   2HH2  ARG  47          1HN1      ARG  47  -1.407   4.466 -15.963
  366    H    GLU  48           HN       GLU  48   2.518   6.070  -8.134
  367    HA   GLU  48           HA       GLU  48   3.816   4.003  -9.608
  368   1HB   GLU  48          2HB       GLU  48   5.802   5.269  -9.330
  369   2HB   GLU  48          3HB       GLU  48   4.479   6.440  -9.499
  370   1HG   GLU  48          2HG       GLU  48   4.461   6.712  -7.011
  371   2HG   GLU  48          3HG       GLU  48   5.838   5.611  -6.889
  372    H    GLN  49           HN       GLN  49   2.943   3.957  -6.282
  373    HA   GLN  49           HA       GLN  49   4.990   1.837  -5.861
  374   1HB   GLN  49          2HB       GLN  49   4.820   4.132  -4.353
  375   2HB   GLN  49          3HB       GLN  49   3.642   3.133  -3.510
  376   1HG   GLN  49          2HG       GLN  49   5.743   2.807  -2.464
  377   2HG   GLN  49          3HG       GLN  49   5.442   1.318  -3.389
  378   1HE2  GLN  49          2HNE      GLN  49   8.626   1.684  -4.902
  379   2HE2  GLN  49          1HNE      GLN  49   7.459   0.601  -4.171
  380    H    ALA  50           HN       ALA  50   1.929   2.187  -6.843
  381    HA   ALA  50           HA       ALA  50   0.554   0.548  -4.901
  382   1HB   ALA  50          3HB       ALA  50  -0.464   2.399  -6.197
  383   2HB   ALA  50          1HB       ALA  50  -0.271   1.435  -7.673
  384   3HB   ALA  50          2HB       ALA  50  -1.327   0.847  -6.349
  385    H    GLY  51           HN       GLY  51  -0.380  -1.502  -5.347
  386   1HA   GLY  51          2HA       GLY  51   0.114  -3.678  -5.469
  387   2HA   GLY  51          3HA       GLY  51   0.456  -3.483  -7.197
  388    H    GLY  52           HN       GLY  52   2.108  -2.090  -4.301
  389   1HA   GLY  52          2HA       GLY  52   4.603  -3.565  -4.948
  390   2HA   GLY  52          3HA       GLY  52   4.572  -1.792  -4.964
  391    H    ASP  53           HN       ASP  53   6.322  -2.910  -3.347
  392    HA   ASP  53           HA       ASP  53   5.380  -3.440  -0.648
  393   1HB   ASP  53          2HB       ASP  53   7.868  -3.730  -0.311
  394   2HB   ASP  53          3HB       ASP  53   7.230  -4.768  -1.597
  395    H    ALA  54           HN       ALA  54   4.316  -1.237  -1.127
  396    HA   ALA  54           HA       ALA  54   5.918   1.077  -1.045
  397   1HB   ALA  54          1HB       ALA  54   3.002   0.652  -0.342
  398   2HB   ALA  54          2HB       ALA  54   3.771   2.248  -0.579
  399   3HB   ALA  54          3HB       ALA  54   3.653   1.085  -1.921
  400    H    THR  55           HN       THR  55   4.977  -0.945   1.584
  401    HA   THR  55           HA       THR  55   5.044   0.064   4.000
  402    HB   THR  55           HB       THR  55   7.182  -1.744   2.858
  403    HG1  THR  55           HOG      THR  55   4.959  -2.412   2.820
  404   1HG2  THR  55          3HG       THR  55   6.540  -1.052   5.760
  405   2HG2  THR  55          1HG       THR  55   7.418  -2.513   5.246
  406   3HG2  THR  55          2HG       THR  55   8.105  -0.915   4.943
  407    H    GLU  56           HN       GLU  56   7.969   0.250   2.040
  408    HA   GLU  56           HA       GLU  56   9.406   1.819   3.976
  409   1HB   GLU  56          2HB       GLU  56  10.147   1.206   1.117
  410   2HB   GLU  56          3HB       GLU  56  11.247   1.461   2.488
  411   1HG   GLU  56          2HG       GLU  56  10.133  -0.616   3.538
  412   2HG   GLU  56          3HG       GLU  56   9.389  -0.926   1.952
  413    H    ASN  57           HN       ASN  57   8.531   2.487   0.527
  414    HA   ASN  57           HA       ASN  57   9.283   5.225   0.700
  415   1HB   ASN  57          2HB       ASN  57   9.119   3.830  -1.418
  416   2HB   ASN  57          3HB       ASN  57   7.367   4.098  -1.345
  417   1HD2  ASN  57          2HND      ASN  57   8.184   6.897  -3.459
  418   2HD2  ASN  57          1HND      ASN  57   7.618   5.242  -3.487
  419    H    PHE  58           HN       PHE  58   6.489   3.657   1.839
  420    HA   PHE  58           HA       PHE  58   4.847   6.062   2.184
  421   1HB   PHE  58          2HB       PHE  58   3.649   4.056   2.158
  422   2HB   PHE  58          3HB       PHE  58   4.845   3.220   3.131
  423    HD1  PHE  58          2HG       PHE  58   2.292   5.974   3.501
  424    HD2  PHE  58          1HD       PHE  58   4.461   2.710   5.326
  425    HE1  PHE  58          2HE       PHE  58   0.761   6.027   5.454
  426    HE2  PHE  58          1HE       PHE  58   2.877   2.706   7.208
  427    HZ   PHE  58           HZ       PHE  58   0.940   4.248   7.197
  428    H    GLU  59           HN       GLU  59   6.701   3.947   4.602
  429    HA   GLU  59           HA       GLU  59   6.055   6.213   6.372
  430   1HB   GLU  59          2HB       GLU  59   6.584   4.981   8.228
  431   2HB   GLU  59          3HB       GLU  59   5.548   4.077   7.131
  432   1HG   GLU  59          2HG       GLU  59   7.562   2.714   6.456
  433   2HG   GLU  59          3HG       GLU  59   8.454   3.520   7.748
  434    H    ASP  60           HN       ASP  60   8.877   5.240   4.625
  435    HA   ASP  60           HA       ASP  60  10.713   6.914   6.143
  436   1HB   ASP  60          2HB       ASP  60  11.325   4.890   4.788
  437   2HB   ASP  60          3HB       ASP  60  10.964   5.824   3.322
  438    H    VAL  61           HN       VAL  61   8.029   7.860   4.212
  439    HA   VAL  61           HA       VAL  61   9.527   9.728   2.552
  440    HB   VAL  61           HB       VAL  61   7.199   8.369   2.325
  441   1HG1  VAL  61          1HG1      VAL  61   5.996   9.958   3.814
  442   2HG1  VAL  61          3HG1      VAL  61   6.178  11.210   2.567
  443   3HG1  VAL  61          2HG1      VAL  61   5.297   9.727   2.203
  444   1HG2  VAL  61          2HG2      VAL  61   7.944  10.791   1.134
  445   2HG2  VAL  61          1HG2      VAL  61   6.913   9.185   0.527
  446   3HG2  VAL  61          3HG2      VAL  61   7.280  10.342   0.066
  447    H    GLY  62           HN       GLY  62   9.230   9.816   5.702
  448   1HA   GLY  62          2HA       GLY  62   9.221  11.468   7.298
  449   2HA   GLY  62          3HA       GLY  62   9.146  12.696   6.021
  450    H    HIS  63           HN       HES  63   6.831   9.985   6.406
  451    HA   HIS  63           HA       HES  63   4.589  11.740   6.375
  452   1HB   HIS  63          2HB       HES  63   4.977   8.819   6.849
  453   2HB   HIS  63          3HB       HES  63   3.504   9.530   7.468
  454    HD1  HIS  63           HND      HES  63   4.514   7.802   4.580
  455    HD2  HIS  63           HD       HES  63   2.316  11.327   5.255
  456    HE1  HIS  63           HE       HES  63   3.069   8.097   2.591
  457    H    SER  64           HN       SER  64   3.436  12.673   8.129
  458    HA   SER  64           HA       SER  64   4.495  12.557  10.815
  459   1HB   SER  64          2HB       SER  64   1.717  13.439   9.930
  460   2HB   SER  64          3HB       SER  64   2.603  13.932  11.382
  461    HG   SER  64           HOG      SER  64   2.760  15.477   9.616
  462    H    THR  65           HN       THR  65   3.612  11.338  12.611
  463    HA   THR  65           HA       THR  65   2.918   8.759  12.270
  464    HB   THR  65           HB       THR  65   1.893  10.526  14.531
  465    HG1  THR  65           HOG      THR  65   4.524   9.576  14.029
  466   1HG2  THR  65          3HG       THR  65   3.041   7.693  14.467
  467   2HG2  THR  65          1HG       THR  65   2.535   8.580  15.922
  468   3HG2  THR  65          2HG       THR  65   1.330   8.115  14.705
  469    H    ASP  66           HN       ASP  66   0.669  11.515  12.368
  470    HA   ASP  66           HA       ASP  66  -1.831  10.428  12.518
  471   1HB   ASP  66          2HB       ASP  66  -1.037  12.526  10.434
  472   2HB   ASP  66          3HB       ASP  66  -2.534  12.420  11.361
  473    H    ALA  67           HN       ALA  67   0.217  10.681   9.613
  474    HA   ALA  67           HA       ALA  67  -1.684   9.608   7.732
  475   1HB   ALA  67          2HB       ALA  67   0.194  11.107   7.097
  476   2HB   ALA  67          3HB       ALA  67   1.342   9.861   7.607
  477   3HB   ALA  67          1HB       ALA  67   0.271   9.557   6.225
  478    H    ARG  68           HN       ARG  68   0.605   8.203   9.984
  479    HA   ARG  68           HA       ARG  68   0.393   5.515   8.814
  480   1HB   ARG  68          2HB       ARG  68   2.372   6.705  10.245
  481   2HB   ARG  68          3HB       ARG  68   1.423   6.076  11.595
  482   1HG   ARG  68          2HG       ARG  68   1.589   3.778  10.328
  483   2HG   ARG  68          3HG       ARG  68   2.858   4.590   9.383
  484   1HD   ARG  68          2HG       ARG  68   3.839   5.281  11.712
  485   2HD   ARG  68          3HG       ARG  68   2.721   4.068  12.370
  486    HE   ARG  68           HNE      ARG  68   4.680   3.261  10.221
  487   1HH1  ARG  68          2HN2      ARG  68   4.028   3.316  13.709
  488   2HH1  ARG  68          2HN1      ARG  68   5.279   2.172  14.080
  489   1HH2  ARG  68          2HN1      ARG  68   6.224   1.883  10.653
  490   2HH2  ARG  68          1HN1      ARG  68   6.619   1.300  12.271
  491    H    GLU  69           HN       GLU  69  -0.987   7.351  11.583
  492    HA   GLU  69           HA       GLU  69  -1.991   5.003  12.718
  493   1HB   GLU  69          2HB       GLU  69  -1.765   7.447  13.748
  494   2HB   GLU  69          3HB       GLU  69  -3.476   7.548  13.315
  495   1HG   GLU  69          2HG       GLU  69  -3.009   4.962  14.588
  496   2HG   GLU  69          3HG       GLU  69  -2.222   6.215  15.554
  497    H    LEU  70           HN       LEU  70  -3.655   7.367  10.561
  498    HA   LEU  70           HA       LEU  70  -6.121   5.924  10.554
  499   1HB   LEU  70          2HB       LEU  70  -6.888   7.357   9.056
  500   2HB   LEU  70          3HB       LEU  70  -5.494   8.272   9.594
  501    HG   LEU  70           HG       LEU  70  -5.465   8.632   7.373
  502   1HD1  LEU  70          2HD1      LEU  70  -3.330   7.291   8.220
  503   2HD1  LEU  70          3HD1      LEU  70  -3.836   6.186   6.901
  504   3HD1  LEU  70          1HD1      LEU  70  -3.472   7.838   6.555
  505   1HD2  LEU  70          1HG2      LEU  70  -7.322   7.211   6.712
  506   2HD2  LEU  70          2HG2      LEU  70  -5.982   7.081   5.564
  507   3HD2  LEU  70          3HG2      LEU  70  -6.279   5.778   6.722
  508    H    SER  71           HN       SER  71  -3.057   5.182   9.131
  509    HA   SER  71           HA       SER  71  -3.888   3.764   6.900
  510   1HB   SER  71          2HB       SER  71  -1.780   3.302   6.505
  511   2HB   SER  71          3HB       SER  71  -1.534   4.564   7.660
  512    HG   SER  71           HOG      SER  71  -1.126   3.047   9.245
  513    H    LYS  72           HN       LYS  72  -3.531   2.724  10.252
  514    HA   LYS  72           HA       LYS  72  -4.347  -0.030   9.636
  515   1HB   LYS  72          2HB       LYS  72  -4.086  -0.455  12.087
  516   2HB   LYS  72          3HB       LYS  72  -2.678   0.043  11.173
  517   1HG   LYS  72          2HG       LYS  72  -2.293   1.154  13.032
  518   2HG   LYS  72          3HG       LYS  72  -3.066   2.431  12.151
  519   1HD   LYS  72          2HG       LYS  72  -4.299   0.650  14.335
  520   2HD   LYS  72          3HG       LYS  72  -3.662   2.277  14.539
  521   1HE   LYS  72          2HE       LYS  72  -5.583   2.726  12.599
  522   2HE   LYS  72          3HE       LYS  72  -6.303   1.380  13.479
  523   1HZ   LYS  72          1HNZ      LYS  72  -6.007   2.781  15.502
  524   2HZ   LYS  72          2HNZ      LYS  72  -5.413   4.006  14.600
  525   3HZ   LYS  72          3HNZ      LYS  72  -6.933   3.529  14.373
  526    H    THR  73           HN       THR  73  -6.245   2.445   9.335
  527    HA   THR  73           HA       THR  73  -8.487   1.395  10.937
  528    HB   THR  73           HB       THR  73  -7.947   3.896  10.285
  529    HG1  THR  73           HOG      THR  73 -10.182   4.263  10.564
  530   1HG2  THR  73          2HG       THR  73  -8.167   3.484   7.775
  531   2HG2  THR  73          3HG       THR  73  -9.888   3.146   8.057
  532   3HG2  THR  73          1HG       THR  73  -9.221   4.745   8.428
  533    H    TYR  74           HN       TYR  74  -7.205   1.254   7.614
  534    HA   TYR  74           HA       TYR  74  -9.705   0.243   6.533
  535   1HB   TYR  74          2HB       TYR  74  -6.957   0.450   5.245
  536   2HB   TYR  74          3HB       TYR  74  -8.482   0.138   4.416
  537    HD1  TYR  74          1HD       TYR  74 -10.361   2.114   5.351
  538    HD2  TYR  74          2HG       TYR  74  -6.123   2.508   4.620
  539    HE1  TYR  74          1HE       TYR  74 -10.651   4.532   4.915
  540    HE2  TYR  74          2HE       TYR  74  -6.441   4.897   4.093
  541    HH   TYR  74           HOH      TYR  74  -7.958   6.645   3.900
  542    H    ILE  75           HN       ILE  75  -6.565  -1.288   5.951
  543    HA   ILE  75           HA       ILE  75  -5.902  -3.382   5.751
  544    HB   ILE  75           HB       ILE  75  -7.463  -3.620   8.339
  545   1HG1  ILE  75          2HG1      ILE  75  -4.479  -3.267   7.953
  546   2HG1  ILE  75          3HG1      ILE  75  -5.570  -1.884   8.159
  547   1HG2  ILE  75          3HG2      ILE  75  -5.305  -5.446   7.156
  548   2HG2  ILE  75          1HG2      ILE  75  -5.902  -5.571   8.821
  549   3HG2  ILE  75          2HG2      ILE  75  -6.983  -5.907   7.488
  550   1HD1  ILE  75          2HG       ILE  75  -6.282  -2.774  10.358
  551   2HD1  ILE  75          3HG       ILE  75  -5.086  -4.083  10.205
  552   3HD1  ILE  75          1HD       ILE  75  -4.549  -2.404  10.270
  553    H    ILE  76           HN       ILE  76  -6.637  -4.183   3.909
  554    HA   ILE  76           HA       ILE  76  -9.088  -5.896   4.059
  555    HB   ILE  76           HB       ILE  76  -8.864  -6.240   1.709
  556   1HG1  ILE  76          2HG1      ILE  76  -6.685  -4.121   1.601
  557   2HG1  ILE  76          3HG1      ILE  76  -6.330  -5.858   1.628
  558   1HG2  ILE  76          3HG2      ILE  76 -10.209  -4.355   2.646
  559   2HG2  ILE  76          1HG2      ILE  76  -8.829  -3.266   2.410
  560   3HG2  ILE  76          2HG2      ILE  76  -9.627  -4.013   1.015
  561   1HD1  ILE  76          1HD       ILE  76  -7.638  -6.227  -0.394
  562   2HD1  ILE  76          2HG       ILE  76  -8.030  -4.496  -0.485
  563   3HD1  ILE  76          3HG       ILE  76  -6.354  -5.030  -0.648
  564    H    GLY  77           HN       GLY  77  -5.559  -6.023   4.334
  565   1HA   GLY  77          2HA       GLY  77  -5.773  -8.773   5.116
  566   2HA   GLY  77          3HA       GLY  77  -5.106  -8.619   3.473
  567    H    GLU  78           HN       GLU  78  -3.416  -9.813   4.923
  568    HA   GLU  78           HA       GLU  78  -1.303  -7.871   5.793
  569   1HB   GLU  78          2HB       GLU  78  -1.920 -10.687   6.665
  570   2HB   GLU  78          3HB       GLU  78  -0.241 -10.132   6.647
  571   1HG   GLU  78          2HG       GLU  78  -0.728  -8.217   8.036
  572   2HG   GLU  78          3HG       GLU  78  -2.459  -8.573   8.030
  573    H    LEU  79           HN       LEU  79  -0.858 -11.156   4.551
  574    HA   LEU  79           HA       LEU  79  -0.607 -10.876   1.935
  575   1HB   LEU  79          2HB       LEU  79   1.600  -9.378   3.039
  576   2HB   LEU  79          3HB       LEU  79   2.264 -10.918   2.595
  577    HG   LEU  79           HG       LEU  79   1.555 -10.717   0.307
  578   1HD1  LEU  79          3HD1      LEU  79  -0.457  -8.862   1.282
  579   2HD1  LEU  79          1HD1      LEU  79   0.564  -8.007   0.136
  580   3HD1  LEU  79          2HD1      LEU  79  -0.237  -9.488  -0.356
  581   1HD2  LEU  79          3HG2      LEU  79   3.586  -9.596   1.152
  582   2HD2  LEU  79          1HG2      LEU  79   2.895  -8.753  -0.262
  583   3HD2  LEU  79          2HG2      LEU  79   2.637  -8.117   1.392
  584    H    HIS  80           HN       HIS  80   0.528 -12.668   0.915
  585    HA   HIS  80           HA       HIS  80   0.298 -15.124   2.250
  586   1HB   HIS  80          2HB       HIS  80   0.332 -14.800  -0.202
  587   2HB   HIS  80          3HB       HIS  80   2.050 -14.392  -0.132
  588    HD1  HIS  80           HND      HIS  80   3.732 -16.521   0.509
  589    HD2  HIS  80           HD       HIS  80  -0.368 -17.367   0.022
  590    HE1  HIS  80           HE       HIS  80   3.507 -19.049   0.486
  591    HA   PRO  81           HA       PRO  81   4.210 -15.095   4.538
  592   1HB   PRO  81          2HB       PRO  81   4.274 -17.636   5.484
  593   2HB   PRO  81          3HB       PRO  81   3.075 -16.435   6.034
  594   1HG   PRO  81          2HG       PRO  81   2.691 -18.536   3.881
  595   2HG   PRO  81          3HG       PRO  81   1.650 -18.236   5.306
  596   1HD   PRO  81          2HG       PRO  81   1.081 -17.169   2.886
  597   2HD   PRO  81          3HG       PRO  81   0.817 -16.216   4.374
  598    H    ASP  82           HN       ASP  82   4.812 -14.816   2.110
  599    HA   ASP  82           HA       ASP  82   7.289 -16.290   1.877
  600   1HB   ASP  82          2HB       ASP  82   5.920 -17.677   0.334
  601   2HB   ASP  82          3HB       ASP  82   5.450 -16.223  -0.579
  602    H    ASP  83           HN       ASP  83   5.037 -14.154   0.130
  603    HA   ASP  83           HA       ASP  83   6.765 -12.193  -0.743
  604   1HB   ASP  83          2HB       ASP  83   3.866 -11.992   0.133
  605   2HB   ASP  83          3HB       ASP  83   4.758 -10.683  -0.668
  606    H    ARG  84           HN       ARG  84   5.476 -12.675   2.435
  607    HA   ARG  84           HA       ARG  84   6.273 -10.545   3.961
  608   1HB   ARG  84          2HB       ARG  84   5.238 -12.782   4.589
  609   2HB   ARG  84          3HB       ARG  84   6.875 -13.459   4.603
  610   1HG   ARG  84          2HG       ARG  84   7.486 -11.912   6.454
  611   2HG   ARG  84          3HG       ARG  84   5.888 -11.146   6.339
  612   1HD   ARG  84          2HG       ARG  84   4.823 -13.370   6.787
  613   2HD   ARG  84          3HG       ARG  84   6.406 -14.092   7.025
  614    HE   ARG  84           HNE      ARG  84   4.877 -12.258   8.767
  615   1HH1  ARG  84          2HN2      ARG  84   8.069 -13.636   8.233
  616   2HH1  ARG  84          2HN1      ARG  84   8.488 -13.763   9.915
  617   1HH2  ARG  84          2HN1      ARG  84   5.383 -12.386  11.011
  618   2HH2  ARG  84          1HN1      ARG  84   6.928 -12.969  11.533
  619    H    SER  85           HN       SER  85   8.605 -12.538   2.191
  620    HA   SER  85           HA       SER  85  10.736 -11.031   3.643
  621   1HB   SER  85          2HB       SER  85  10.830 -13.530   3.811
  622   2HB   SER  85          3HB       SER  85  11.042 -13.600   2.048
  623    HG   SER  85           HOG      SER  85  12.870 -12.098   2.472
  624    H    LYS  86           HN       LYS  86   9.006 -10.578   0.925
  625    HA   LYS  86           HA       LYS  86  11.225  -9.836  -0.882
  626   1HB   LYS  86          2HB       LYS  86   8.243  -9.318  -1.097
  627   2HB   LYS  86          3HB       LYS  86   9.435  -9.112  -2.368
  628   1HG   LYS  86          2HG       LYS  86   8.822 -11.810  -1.079
  629   2HG   LYS  86          3HG       LYS  86   7.895 -11.136  -2.431
  630   1HD   LYS  86          2HG       LYS  86  10.088 -11.048  -3.729
  631   2HD   LYS  86          3HG       LYS  86  10.804 -11.990  -2.392
  632   1HE   LYS  86          2HE       LYS  86   8.890 -13.679  -2.683
  633   2HE   LYS  86          3HE       LYS  86   8.355 -12.757  -4.092
  634   1HZ   LYS  86          3HNZ      LYS  86  10.492 -13.249  -5.113
  635   2HZ   LYS  86          1HNZ      LYS  86  10.920 -14.160  -3.798
  636   3HZ   LYS  86          2HNZ      LYS  86   9.643 -14.610  -4.727
  637    H    ILE  87           HN       ILE  87   8.638  -8.391   1.138
  638    HA   ILE  87           HA       ILE  87   9.339  -5.638   0.699
  639    HB   ILE  87           HB       ILE  87   7.907  -6.924   3.063
  640   1HG1  ILE  87          2HG1      ILE  87   5.872  -5.825   1.991
  641   2HG1  ILE  87          3HG1      ILE  87   6.797  -5.714   0.494
  642   1HG2  ILE  87          1HG2      ILE  87   8.810  -4.679   3.608
  643   2HG2  ILE  87          2HG2      ILE  87   8.031  -4.020   2.157
  644   3HG2  ILE  87          3HG2      ILE  87   7.055  -4.651   3.501
  645   1HD1  ILE  87          1HD       ILE  87   6.334  -8.322   1.995
  646   2HD1  ILE  87          2HG       ILE  87   5.211  -7.707   0.782
  647   3HD1  ILE  87          3HG       ILE  87   6.845  -8.107   0.290
  648    H    ALA  88           HN       ALA  88  11.417  -5.098   1.073
  649    HA   ALA  88           HA       ALA  88  12.689  -4.991   3.596
  650   1HB   ALA  88          2HB       ALA  88  13.430  -7.341   1.798
  651   2HB   ALA  88          3HB       ALA  88  14.474  -6.742   3.111
  652   3HB   ALA  88          1HB       ALA  88  12.895  -7.443   3.490
  653    HHA  HEM  63           HGM      HES  63   3.056  14.768   2.725
  654    HHB  HEM  63           HDM      HES  63  -2.140  11.932   5.200
  655    HHC  HEM  63           HAM      HES  63  -0.853   6.569   1.892
  656    HHD  HEM  63           HBM      HES  63   4.204   9.500  -0.876
  657   1HMA  HEM  63          1HM8      HES  63  -2.153  14.047   5.835
  658   2HMA  HEM  63          2HM8      HES  63  -0.706  14.178   6.858
  659   3HMA  HEM  63          3HM8      HES  63  -1.207  15.524   5.819
  660   1HAA  HEM  63          1HP7      HES  63   1.763  16.344   3.657
  661   2HAA  HEM  63          2HP7      HES  63   0.426  16.517   4.756
  662   1HBA  HEM  63          3HP7      HES  63   3.206  15.509   5.455
  663   2HBA  HEM  63          4HP7      HES  63   1.837  15.476   6.578
  664   1HMB  HEM  63          1HM1      HES  63  -4.517   8.995   4.866
  665   2HMB  HEM  63          2HM1      HES  63  -3.557   9.953   6.029
  666   3HMB  HEM  63          3HM1      HES  63  -4.218  10.709   4.584
  667    HAB  HEM  63          HT2A      HES  63  -4.130   7.232   3.152
  668   1HBB  HEM  63          HV2C      HES  63  -1.729   5.719   4.303
  669   2HBB  HEM  63          HV2T      HES  63  -3.501   5.137   4.183
  670   1HMC  HEM  63          1HM3      HES  63   1.453   5.033  -0.780
  671   2HMC  HEM  63          2HM3      HES  63   1.551   4.832   0.983
  672   3HMC  HEM  63          3HM3      HES  63  -0.001   5.230   0.208
  673    HAC  HEM  63          HT4A      HES  63   3.440   7.385  -2.283
  674   1HBC  HEM  63          HV4C      HES  63   4.172   5.455  -0.024
  675   2HBC  HEM  63          HV4T      HES  63   4.958   5.607  -1.712
  676   1HMD  HEM  63          1HM5      HES  63   5.266  12.708  -1.878
  677   2HMD  HEM  63          2HM5      HES  63   6.524  12.300  -0.694
  678   3HMD  HEM  63          3HM5      HES  63   5.613  11.022  -1.503
  679   1HAD  HEM  63          1HP6      HES  63   4.508  15.310   1.273
  680   2HAD  HEM  63          2HP6      HES  63   5.975  14.369   1.489
  681   1HBD  HEM  63          3HP6      HES  63   6.423  14.498  -0.887
  682   2HBD  HEM  63          4HP6      HES  63   4.760  15.042  -1.223
   
  No H/Q in entry =         682