*HEADER    ELECTRON TRANSPORT                      28-FEB-01   1I5U              
*TITLE     SOLUTION STRUCTURE OF CYTOCHROME B5 TRIPLE MUTANT                     
*TITLE    2 (E48A/E56A/D60A)                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME B5;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SOLUBLE DOMAIN (RESIDUES 8-89);                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BOS TAURUS;                                     
*SOURCE   3 ORGANISM_COMMON: BOVINE;                                             
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PUC19                                     
*KEYWDS    ELECTRON TRANSPORT, TRANSMEMBRANE, HEME, MICROSOME                    
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    C.QIAN, Y.YAO, W.TANG, J.WANG, H.ZHONGXIAN                            
*REVDAT   1   21-MAR-01 1I5U    0                                                
  4 VAL  
         HN      4 VAL  HA      3.90  #     2   558100.0  e   1       5541
         HN      4 VAL  HB      3.50  #     2  1189000.0  e   1       5580
         HN      4 VAL  QG1     4.90  #     1M  662600.0  e   1       5544
         HN      4 VAL  QG2     5.30  #     1M  421400.0  e   1       5543
         HN      5 LYS+ HG2     5.40  #     5    97620.0  e   1       7882
         HN      5 LYS+ HG3     4.80  #     5   181700.0  e   1       7883
         HA      4 VAL  HB      3.70  #     2   771200.0  e   1       5579
         HA      4 VAL  QG1     5.00  #     1M  552200.0  e   1       5571
         HA      4 VAL  QG2     4.90  #     1M  695800.0  e   1       6386
         HA      5 LYS+ HA      4.50  #     2   231000.0  e   1       8288
         HB      4 VAL  QG1     4.90  #     1M  657700.0  e   1       5576
         HB      4 VAL  QG2     5.10  #     1M  540000.0  e   1       8094
         QG1     5 LYS+ HA      5.40  #     5M  420100.0  e   1       8162
         QG1     6 TYR  HA      7.00  #   w 5M   72320.0  e   1       9626
         QG1     6 TYR  QD      8.10 <# r   5M  202100.0*2e   1       8993
         QG1     6 TYR  QE      7.30 <# r   5M  442050.0*2e   1       8641
         QG1    78 GLU- HN      6.10  #     5M  202300.0  e   1       8539
         QG1    78 GLU- HB2     5.00  #     5M  626200.0  e   1       9645
         QG1    78 GLU- HB3     5.20  #     5M  495200.0  e   1       9644
         QG1    78 GLU- QG      8.00  # m w 5M   68100.0*2e   1       9648
         QG2     5 LYS+ HA      5.70  #     5M  289200.0  e   1       7959
         QG2     6 TYR  QD      9.00 ># r w 5M   53500.0*2e   1       8994
         QG2     6 TYR  QE      8.70 ># r   5M  107350.0*2e   1       8995
         QG2    78 GLU- HN      6.60  #     5M  121100.0  e   1       8887
         QG2    78 GLU- HB2     6.00  #     5M  207900.0  e   1       9647
         QG2    78 GLU- QG      8.00  # m w 5M   72150.0*2e   1       8890
  5 LYS+ 
         HN      5 LYS+ HA      3.20  #     2  1774000.0  e   1       7885
         HN      5 LYS+ QB      4.50  # i   2   551000.0*2e   1       7886
         HN      5 LYS+ HG2     4.60  #     1   168500.0  e   1       7348
         HN      5 LYS+ HG3     4.90  #     1   125600.0  e   1       8095
         HN     77 GLY  HA1     3.80  #     4   428200.0  e   1       8662
         HN     77 GLY  HA2     3.60  #     4   618300.0  e   1       8661
         HN     78 GLU- HN      4.70  #     4   119000.0  e   1       8990
         HA      5 LYS+ QB      4.70  # m   2   844000.0*2e   1       7965
         HA      5 LYS+ HG2     4.00  #     1   406100.0  e   1       7887
         HA      5 LYS+ HG3     3.60  #     1   758000.0  e   1       7888
         HA      6 TYR  HA      4.70  #     2   179500.0  e   1       7286
         HA      6 TYR  QD      6.60  # r   5   251650.0*2e   1       9649
         HA      6 TYR  QE      7.30  # r   5   103200.0*2e   1       9650
         QB      5 LYS+ HG2     4.60  # m   1   775500.0*2e   1       7962
         QB      5 LYS+ HG3     4.60  # m   1   728500.0*2e   1       7963
         QB      6 TYR  QE      8.80  # mr  5    60425.0*4e   1       8291
         QB      7 TYR  QD      9.00  # mr  5    51025.0*4e   1       9523
         QB      7 TYR  QE      8.30  # mr  5   106125.0*4e   1       9522
         QB     78 GLU- HN      7.00  # m   5    50250.0*2e   1       8989
         HG2     7 TYR  QE      7.30  # r   5   104150.0*2e   1       8293
         HG3     7 TYR  QE      7.60  # r   5    77450.0*2e   1       9047
  6 TYR  
         HN      6 TYR  HA      3.90  #     2   564400.0  e   1        620
         HN      6 TYR  HB2     3.50  #     2  1040000.0  e   1       5628
         HN      6 TYR  HB3     3.60  #     2   891800.0  e   1       5620
         HN      6 TYR  QD      6.10  # r   1   344250.0*2e   1       5607
         HN      6 TYR  QE      7.00  # m w 1    30835.0*2e   1       8172
         HN     78 GLU- HN      4.80  #     4   105800.0  e   1       9519
         HA      6 TYR  HB2     4.00  #     2   498200.0  e   1       5609
         HA      6 TYR  HB3     3.70  #     2   756200.0  e   1       5608
         HA      6 TYR  QD      4.40  # m   1  1150000.0*2e   1       5605
         HA      6 TYR  QE      5.70  # i   1    96150.0*2e   1       8173
         HA      7 TYR  HN      3.00  #     2  2585000.0  e   1       7342
         HA      7 TYR  QD      6.60  # r   5   238300.0*2e   1       9751
         HA     77 GLY  HA2     6.00  #   w 4    12820.0  e   1       8663
         HA     78 GLU- HN      3.30  #     4  1003000.0  e   1       7264
         HA     78 GLU- HB2     4.90  #     5   158400.0  e   1       9579
         HA     78 GLU- HB3     4.70  #     5   206500.0  e   1       7943
         HA     80 HIS  HN      4.60  #     4   147100.0  e   1       7793
         HA     80 HIS  HA      4.80  #     4   109500.0  e   1       9400
         HB2     6 TYR  QD      5.50  # r   1   885500.0*2e   1       5604
         HB2     6 TYR  QE      7.30  # r   1    77550.0*2e   1       8169
         HB2     7 TYR  HN      4.30 >#     2   300200.0  e   1       6448
         HB2    80 HIS  HA      4.10  #     5   508300.0  e   1       7690
         HB2    80 HIS  HD2     3.70  #     5   945100.0  e   1       7703
         HB3     6 TYR  QD      5.70  # r   1   690000.0*2e   1       5603
         HB3     6 TYR  QE      7.20  # r   1    81700.0*2e   1       8168
         HB3     7 TYR  HN      3.70 <#     2   751700.0  e   1       6449
         HB3    80 HIS  HN      4.10  #     5   496800.0  e   1       9520
         HB3    80 HIS  HA      4.20  #     5   429500.0  e   1       9082
         HB3    80 HIS  HD2     3.70  #     5   882800.0  e   1       9081
         QD      6 TYR  QE      7.60  # rr  1   826750.0*4e   1       8166
         QD      7 TYR  HN      7.00  # r   5   150450.0*2e   1       9705
         QD     78 GLU- HN      6.40  # r   5   325550.0*2e   1       8869
         QD     78 GLU- HB2     5.90  # r   5   694000.0*2e   1       8101
         QD     78 GLU- HB3     5.80  # r   5   815000.0*2e   1       8100
         QD     80 HIS  HA      6.20  # r   5   439700.0*2e   1       9401
         QD     81 PRO  QG      8.00  # rm  5   150075.0*4e   1       9521
         QE      7 TYR  HN      7.80  # r   5    61150.0*2e   1       8176
         QE     78 GLU- HN      7.50  # r   5    79700.0*2e   1       8290
         QE     78 GLU- HA      7.70  # r   5    68850.0*2e   1       8871
         QE     78 GLU- HB2     6.10  # r   5   498150.0*2e   1       8872
         QE     78 GLU- HB3     5.90  # r   5   667000.0*2e   1       8873
         QE     78 GLU- QG      8.60  # rm  5    74725.0*4e   1       8885
         QE     80 HIS  HA      7.30  # r   5   102600.0*2e   1       8610
         QE     81 PRO  QG      7.90  # rm  5   167900.0*4e   1       9358
  7 TYR  
         HN      7 TYR  HA      3.80  #     2   698200.0  e   1       5354
         HN      7 TYR  HB2     4.20  #     2   391600.0  e   1       5353
         HN      7 TYR  HB3     3.60  #     2   869500.0  e   1       5352
         HN      7 TYR  QD      6.20  # r   1   328050.0*2e   1       8096
         HN      7 TYR  QE      6.70  # m   1    49640.0*2e   1       5625
         HN      8 THR  HN      4.80  #     2   155700.0  e   1       8188
         HN     29 VAL  QG2     6.40  #     5M  152000.0  e   1       8541
         HN     78 GLU- HN      4.30  #     4   205100.0  e   1       8667
         HN     79 LEU  HA      3.60  #     4   578000.0  e   1       7266
         HN     80 HIS  HN      3.60  #     4   619100.0  e   1       8670
         HN     80 HIS  HA      4.10  #     4   268500.0  e   1       9573
         HN     80 HIS  HB2     5.40  #     5    92590.0  e   1       9459
         HN     80 HIS  HB3     4.90  #     5   172200.0  e   1       9458
         HN     80 HIS  HD2     6.00  #   w 5    37410.0  e   1       9457
         HA      7 TYR  HB2     3.60  #     2   936800.0  e   1       5636
         HA      7 TYR  HB3     3.80  #     2   643500.0  e   1       5632
         HA      7 TYR  QD      5.40  # m   1   238200.0*2e   1       7492
         HA      7 TYR  QE      6.30  # i   1    49365.0*2e   1       7505
         HA      8 THR  HN      3.00  #     2  3108000.0  e   1       5299
         HA      8 THR  QG2     7.00  #   w 5M   13480.0  e   1       6387
         HB2     7 TYR  QD      5.60  # r   1   810000.0*2e   1       7502
         HB2     7 TYR  QE      7.10  # r   1    95100.0*2e   1       7504
         HB2     8 THR  HN      3.70  #     2   784800.0  e   1       7688
         HB2    11 GLU- HN      5.90  #     3    34120.0  e   1       9407
         HB2    11 GLU- HB2     5.10  #     5   127200.0  e   1       9408
         HB2    12 ILE  HN      4.40  #     5   301700.0  e   1       6486
         HB2    12 ILE  QG2     6.40  #     5M  144100.0  e   1       8348
         HB2    12 ILE  QG1     5.50  # m   5   275850.0*2e   1       9721
         HB2    12 ILE  QD1     5.40  #     5M  408000.0  e   1       9084
         HB2    22 TRP  HZ3     4.50  #     5   281800.0  e   1       9087
         HB2    29 VAL  QG2     6.50  #     5M  136200.0  e   1       8081
         HB3     7 TYR  QD      5.50  # r   1   887000.0*2e   1       7490
         HB3     7 TYR  QE      7.10  # r   1    95950.0*2e   1       7503
         HB3     8 THR  HN      4.00  #     2   510300.0  e   1       8187
         HB3    12 ILE  HN      4.70  #     5   215100.0  e   1       9294
         HB3    12 ILE  QG2     6.80  #     5M   99250.0  e   1       9643
         HB3    12 ILE  QG1     5.20  # m   5   421000.0*2e   1       9722
         HB3    12 ILE  QD1     5.80  #     5M  279600.0  e   1       9085
         HB3    22 TRP  HZ3     4.70  #     5   229200.0  e   1       7496
         HB3    29 VAL  QG1     7.00  #   w 5M   24400.0  e   1       9145
         HB3    29 VAL  QG2     5.80  #     5M  278300.0  e   1       9143
         QD      7 TYR  QE      7.50  # rr  1   996750.0*4e   1       7501
         QD      8 THR  HN      7.20  # r   5   122600.0*2e   1       7710
         QD     22 TRP  HZ3     6.40  # r   5   318650.0*2r   1       8624
         QD     22 TRP  HH2     6.60  # r   5   233450.0*2e   1       8022
         QD     29 VAL  HB      6.80  # r   5   192600.0*2e   1       8484
         QD     29 VAL  QG1     7.80  # r   5M  280250.0*2e   1       8485
         QD     29 VAL  QG2     7.20  # r   5M  549500.0*2e   1       7483
         QD     76 ILE  HG12    7.70 <# r   5    66100.0*2e   1       9241
         QD     76 ILE  HG13    8.00 ># r w 5    12365.0*2e   1       9242
         QD     76 ILE  QD1     8.70  # r   5M  113200.0*2e   1       7479
         QD     77 GLY  HA2     7.40  # r   5    95300.0*2e   1       8665
         QD     78 GLU- HN      7.10  # r   5   126250.0*2e   1       8666
         QE     11 GLU- QG      9.00  # rmw 5    27975.0*4e   1       8359
         QE     22 TRP  HZ3     7.00  # r   5   140050.0*2e   1       9598
         QE     29 VAL  HB      7.60  # r   5    74650.0*2e   1       8199
         QE     29 VAL  QG1     9.00  # r w 5M   66700.0*2e   1       7482
         QE     29 VAL  QG2     8.90  # r   5M   92950.0*2e   1       7484
         QE     76 ILE  HN      8.00  # r w 5    11275.0*2e   1       9502
         QE     76 ILE  HB      6.50  # r   5   272700.0*2e   1       9525
         QE     76 ILE  QG2     8.40  # r   5M  152650.0*2e   1       9524
         QE     76 ILE  HG12    6.20  # r   5   409050.0*2e   1       7485
         QE     76 ILE  HG13    6.90  # r   5   171950.0*2e   1       8074
         QE     76 ILE  QD1     7.30  # r   5M  437850.0*2e   1       7480
         QE     77 GLY  HA1     6.60  # r   5   262000.0*2e   1       7340
         QE     77 GLY  HA2     6.00  # r   5   602000.0*2e   1       6716
         QE     78 GLU- HN      7.10  # r   5   139100.0*2e   1       8077
  8 THR  
         HN      8 THR  HA      3.90  #     2   574800.0  e   1       5638
         HN      8 THR  HB      4.60  #     2   218300.0  e   1       8083
         HN      8 THR  QG2     4.00  #     1M 2158000.0  e   1       5639
         HN      9 LEU  HN      5.30  #     2    89700.0  e   1       8402
         HN     11 GLU- HN      4.40  #     3   218400.0  e   1       6454
         HN     11 GLU- HB2     3.50 <#     3   844400.0  e   1       6455
         HN     11 GLU- HB3     4.10 >#     3   311000.0  e   1       9151
         HN     12 ILE  HN      5.30  #     3    65470.0  e   1       6452
         HN     80 HIS  HD2     6.00  #   w 5    32330.0  e   1       8296
         HA      8 THR  QG2     4.30  #     1M 1390000.0  e   1       5643
         HA      9 LEU  HN      3.10  #     2  2412000.0  e   1       5295
         HA     10 GLU- HN      4.50  #     3   178400.0  e   1       8084
         HA     11 GLU- HN      5.50  #     3    53420.0  e   1       8190
         HA     80 HIS  HN      3.60  #     4   637500.0  e   1       9581
         HA     80 HIS  HB2     4.10  #     5   528000.0  e   1       8298
         HA     80 HIS  HB3     4.00  #     5   552500.0  e   1       6451
         HA     80 HIS  HD2     5.10  #     5   126300.0  e   1       8295
         HB      8 THR  QG2     3.90  #     1M 2800000.0  e   1       6388
         HB      9 LEU  HN      3.20  #     2  1772000.0  e   1       5029
         HB     10 GLU- HN      3.40  #     3  1052000.0  e   1       7975
         HB     11 GLU- HN      4.50  #     3   179600.0  e   1       8189
         HB     80 HIS  HB3     4.90  #     5   177600.0  e   1       8297
         QG2     9 LEU  HN      5.20  #     5M  520400.0  e   1       6432
         QG2    10 GLU- HN      6.30  #     5M  167900.0  e   1       8102
         QG2    11 GLU- HN      6.90  #     5M   93590.0  e   1       8191
         QG2    80 HIS  HN      6.20  #     5M  182200.0  e   1       7796
         QG2    80 HIS  HB2     5.20  #     5M  524900.0  e   1       8254
         QG2    80 HIS  HB3     5.30  #     5M  464900.0  e   1       8252
         QG2    80 HIS  HD2     5.00  #     5M  686900.0  e   1       8248
  9 LEU  
         HN      9 LEU  HA      3.60  #     2   996900.0  e   1       5294
         HN      9 LEU  HB2     3.40  #     2  1438000.0  e   1       5652
         HN      9 LEU  HB3     3.40  #     2  1296000.0  e   1       5032
         HN      9 LEU  HG      4.40  #     1   245200.0  e   1       8193
         HN      9 LEU  QD1     5.60  #     1M  302900.0  e   1       6998
         HN      9 LEU  QD2     5.50  #     1M  342400.0  e   1       8317
         HN     10 GLU- HN      3.60  #     2   980300.0  e   1       5028
         HN     10 GLU- HB2     6.00  #     2    44040.0  e   1       8647
         HN     10 GLU- HB3     6.00  #   w 2    28030.0  e   1       9090
         HN     11 GLU- HN      4.90  #     3   110500.0  e   1       8645
         HN     12 ILE  HB      6.00  #     3    33200.0  e   1       9240
         HN     79 LEU  QD1     4.90  #     5M  702400.0  e   1       6433
         HN     80 HIS  HB2     5.60  #     5    78360.0  e   1       9135
         HN     80 HIS  HB3     5.80  #     5    63050.0  e   1       9134
         HN     83 ASP- HB2     4.70  #     5   213700.0  e   1       7617
         HN     83 ASP- HB3     4.80  #     5   194200.0  e   1       7618
         HA      9 LEU  HB2     3.50  #     2  1133000.0  e   1       5650
         HA      9 LEU  HB3     3.80  #     2   644600.0  e   1       5658
         HA      9 LEU  QD1     5.00  #     1M  605700.0  e   1       6439
         HA      9 LEU  QD2     4.50  #     1M 1141000.0  e   1       8310
         HA     10 GLU- HN      4.50  #     2   240400.0  e   1       7884
         HA     11 GLU- HN      5.60  #     3    48620.0  e   1       9168
         HA     12 ILE  HN      3.70  #     3   572700.0  e   1       6459
         HA     12 ILE  HB      3.10  #     3  1811000.0  e   1       6430
         HA     12 ILE  QG2     5.30  #     5M  447800.0  e   1       6485
         HA     12 ILE  QG1     5.10  # m   5   492800.0*2e   1       9720
         HA     12 ILE  QD1     7.00  #   w 5M   32830.0  e   1       9390
         HA     13 GLN  HN      4.50  #     3   192600.0  e   1       8802
         HA     79 LEU  QD1     5.10  #     5M  574100.0  e   1       8313
         HB2     9 LEU  HG      3.70  #     1   676700.0  e   1       8326
         HB2     9 LEU  QD1     4.30  #     1M 1561000.0  e   1       6999
         HB2     9 LEU  QD2     4.60  #     1M 1033000.0  e   1       8320
         HB2    10 GLU- HN      4.10 >#     2   399200.0  e   1       6405
         HB2    79 LEU  QD1     5.00  #     5M  687600.0  e   1       8315
         HB2    83 ASP- HB2     3.50  #     5  1284000.0  e   1       9532
         HB2    83 ASP- HB3     4.90  #     5   173400.0  e   1       9755
         HB3     9 LEU  QD1     4.60  #     1M  936200.0  e   1       6440
         HB3     9 LEU  QD2     4.40  #     1M 1206000.0  e   1       8319
         HB3    10 GLU- HN      3.50 <#     2  1025000.0  e   1       5290
         HB3    79 LEU  QD1     5.50  #     5M  352800.0  e   1       9089
         HB3    83 ASP- HB2     4.10  #     5   463400.0  e   1       9531
         HG      9 LEU  QD1     4.30  #     1M 1508000.0  e   1       8489
         HG      9 LEU  QD2     4.50  #     1M 1125000.0  e   1       9652
         HG     10 GLU- HN      4.40  #     5   341800.0  e   1       5665
         HG     79 LEU  QD1     4.70  #     5M  925600.0  e   1       9582
         QD1    10 GLU- HN      6.00  #     5M  211700.0  e   1       8301
         QD1    13 GLN  HN      7.00  #   w 5M   80850.0  e   1       9404
         QD1    83 ASP- HB2     6.00  #     5M  209200.0  e   1       8306
         QD1    83 ASP- HB3     6.90  #     5M   94530.0  e   1       6786
         QD2    13 GLN  HN      6.30  #     5M  160200.0  e   1       9403
 10 GLU- 
         HN     10 GLU- HA      3.40  #     2  1361000.0  e   1       5287
         HN     10 GLU- HB2     3.20  #     2  1895000.0  e   1       5292
         HN     10 GLU- HB3     3.40  #     2  1327000.0  e   1       6399
         HN     10 GLU- HG2     4.70  #     1   160300.0  e   1       5670
         HN     10 GLU- HG3     4.50  #     1   199600.0  e   1       5669
         HN     11 GLU- HN      3.60  #     2   920200.0  e   1       9171
         HN     12 ILE  HN      4.70  #     3   141100.0  e   1       9174
         HA     10 GLU- HB2     3.20  #     2  2001000.0  e   1       6401
         HA     10 GLU- HB3     3.50  #     2  1180000.0  e   1       6400
         HA     10 GLU- HG2     3.80  #     1   556500.0  e   1       6395
         HA     10 GLU- HG3     3.30  #     1  1210000.0  e   1       6396
         HA     11 GLU- HN      4.20  #     2   342800.0  e   1       9031
         HA     11 GLU- HA      5.40  #     2    78010.0  e   1       6416
         HA     12 ILE  HN      5.20  #     3    79150.0  e   1       8740
         HA     13 GLN  HN      3.90  #     3   459500.0  e   1       6389
         HA     13 GLN  HB2     3.80  #     3   469600.0  e   1       7192
         HA     13 GLN  QG      6.00  # m   5   157150.0*2e   1       6393
         HB2    10 GLU- HG2     3.00  #     1  2251000.0  e   1       8044
         HB2    10 GLU- HG3     3.50  #     1   874700.0  e   1       6402
         HB2    11 GLU- HN      3.80  #     2   647800.0  e   1       8337
         HB2    11 GLU- HA      5.80  #     2    52650.0  e   1       5672
         HB3    10 GLU- HG2     3.00  #     1  2422000.0  e   1       8045
         HB3    10 GLU- HG3     3.50  #     1   975300.0  e   1       7973
         HB3    11 GLU- HN      3.50  #     2  1152000.0  e   1       9170
         HB3    11 GLU- HA      5.70  #     2    60390.0  e   1       5671
         HG2    11 GLU- HA      5.50 >#     5    87550.0  e   1       9298
         HG3    11 GLU- HA      3.70 <#     5   856600.0  e   1       5673
 11 GLU- 
         HN     11 GLU- HA      3.50  #     2  1145000.0  e   1       5706
         HN     11 GLU- HB2     3.30  #     2  1733000.0  e   1       5704
         HN     11 GLU- HB3     3.30  #     2  1536000.0  e   1       5705
         HN     11 GLU- QG      6.00  # m   1   106900.0*2e   1       8333
         HN     12 ILE  HN      3.30  #     2  1617000.0  e   1       6566
         HN     12 ILE  HA      5.90  #     2    47340.0  e   1       8344
         HN     12 ILE  HB      5.40  #     2    81260.0  e   1       8865
         HN     12 ILE  QG2     7.00  #   w 5M   70460.0  e   1       9716
         HN     12 ILE  QG1     7.00  # m   5    51750.0*2e   1       9715
         HN     13 GLN  HN      4.60  #     3   168100.0  e   1       8742
         HA     11 GLU- HB2     3.70  #     2   830400.0  e   1       5709
         HA     11 GLU- HB3     3.30  #     2  1563000.0  e   1       5703
         HA     11 GLU- QG      5.40  # i   1   130900.0*2e   1       8341
         HA     12 ILE  HN      3.90  #     2   550800.0  e   1       5283
         HA     12 ILE  HB      6.00  #   w 2     9827.0  e   1       8384
         HA     13 GLN  HN      4.40  #     3   201200.0  e   1       7193
         HA     14 LYS+ HN      4.20  #     3   263800.0  e   1       8744
         HA     14 LYS+ QG      4.80  # m   5   739500.0*2e   1       7977
         HA     14 LYS+ QE      5.80  # m   5   193800.0*2e   1       9177
         HB2    11 GLU- QG      4.40  # m   1  1103000.0*2e   1       8339
         HB2    12 ILE  HN      3.60  #     2   911000.0  e   1       6320
         HB2    12 ILE  HA      4.90  #     2   144500.0  e   1       9754
         HB2    13 GLN  HN      6.00  #     3    30650.0  e   1       7195
         HB2    22 TRP  HZ3     5.20  #     5   113600.0  e   1       7854
         HB3    11 GLU- QG      4.20  # m   1  1516000.0*2e   1       8340
         HB3    12 ILE  HN      4.10  #     2   407600.0  e   1       6384
         HB3    12 ILE  HA      5.60  #     2    66410.0  e   1       8350
         HB3    15 HIS  HD2     4.80  #     5   192800.0  e   1       9575
         HB3    22 TRP  HZ3     4.50  #     5   277200.0  e   1       8383
         QG     15 HIS  HD2     5.30  # m   5   378200.0*2e   1       8357
         QG     22 TRP  HZ3     6.00  # m   5   149200.0*2e   1       1832
 12 ILE  
         HN     12 ILE  HA      3.90  #     2   617400.0  e   1       5719
         HN     12 ILE  HB      3.20  #     2  1834000.0  e   1       5722
         HN     12 ILE  QG2     4.60  #     1M  950200.0  e   1       5712
         HN     12 ILE  QG1     4.70  # m   1   650500.0*2e   1       8353
         HN     12 ILE  QD1     5.00  #     1M  606000.0  e   1       6498
         HN     13 GLN  HN      3.30  #     2  1661000.0  e   1       5713
         HN     14 LYS+ HN      5.00  #     3    92750.0  e   1       9290
         HN     15 HIS  HD2     4.80  #     5   179700.0  e   1       6481
         HN     22 TRP  HZ3     5.60  #     5    77720.0  e   1       7855
         HA     12 ILE  HB      3.80  #     2   720100.0  e   1       5721
         HA     12 ILE  QG2     4.90  #     1M  630700.0  e   1       5717
         HA     12 ILE  QG1     4.20  # i   1   791000.0*2e   1       8354
         HA     12 ILE  QD1     5.10  #     1M  489700.0  e   1       6497
         HA     13 GLN  HN      3.90  #     2   581900.0  e   1       9246
         HA     14 LYS+ HN      4.40  #     3   203400.0  e   1       7713
         HA     15 HIS  HN      4.00  #     3   353500.0  e   1       7712
         HA     15 HIS  HB2     4.40 <#     3   215700.0  e   1       9034
         HA     15 HIS  HB3     5.60 >#     3    47920.0  e   1       9035
         HA     15 HIS  HD2     3.40  #     5  1504000.0  e   1       6426
         HA     22 TRP  HE3     3.40  #     5  1682000.0  e   1       9152
         HA     22 TRP  HZ3     4.30  #     5   373600.0  e   1       6483
         HA     29 VAL  QG1     7.00  #   w 5M   81220.0  e   1       8352
         HB     12 ILE  QG2     3.90  #     1M 2575000.0  e   1       5720
         HB     12 ILE  QG1     4.00  # m   1  2326500.0*2e   1       9723
         HB     12 ILE  QD1     4.10  #     1M 1895000.0  e   1       6499
         HB     13 GLN  HN      3.30  #     2  1455000.0  e   1       9186
         HB     13 GLN  QG      6.20  # m   5   115700.0*2e   1       9223
         HB     29 VAL  QG1     7.00  #   w 5M   56030.0  e   1       9161
         QG2    12 ILE  QD1     5.40  # m   1M 1296000.0  e   1       6500
         QG2    13 GLN  HN      6.30  #     5M  160100.0  e   1       5716
         QG2    14 LYS+ HN      7.00  #   w 5M   63070.0  e   1       7984
         QG2    15 HIS  HD2     6.40  #     5M  149300.0  e   1       9719
         QG2    22 TRP  HE3     4.50  #     5M 1174000.0  e   1       9153
         QG2    22 TRP  HZ3     7.00  #   w 5M       0.0  e   1       9156
         QG2    29 VAL  QG1     6.20 ># m   5M  550300.0  e   1       9391
         QG2    29 VAL  QG2     5.20 <# m   5M 1904000.0  e   1       9679
         QG1    12 ILE  QD1     5.60  # m   1M  948500.0*2e   1       9185
         QG1    13 GLN  HN      5.10  # m   5   470100.0*2e   1       9714
         QG1    14 LYS+ HN      7.00  # m w 5    32600.0*2e   1       9717
         QG1    15 HIS  HD2     5.50  # m   5   287350.0*2e   1       9602
         QG1    22 TRP  HE3     4.80  # m   5   836500.0*2e   1       9154
         QG1    22 TRP  HZ3     5.70  # m   5   214400.0*2e   1       9388
         QG1    29 VAL  QG1     6.10 <# m   5M  601500.0*2e   1       9682
         QG1    29 VAL  QG2     7.10 ># m   5M  199700.0*2e   1       9680
         QD1    15 HIS  HD2     6.00  #     5M  226700.0  e   1       9489
         QD1    22 TRP  HE3     5.30  #     5M  454300.0  e   1       9155
         QD1    22 TRP  HZ3     5.80  #     5M  259000.0  e   1       7513
         QD1    29 VAL  QG1     7.00  # m   5M  210700.0  e   1       9160
         QD1    29 VAL  QG2     7.60  # m   5M  120100.0  e   1       9231
 13 GLN  
         HN     13 GLN  HA      3.50  #     2  1113000.0  e   1       5278
         HN     13 GLN  HB2     3.10 <#     2  2328000.0  e   1       5728
         HN     13 GLN  HB3     3.70 >#     2   828000.0  e   1       5744
         HN     13 GLN  QG      4.50  # m   1   924000.0*2e   1       5726
         HN     14 LYS+ HN      3.60  #     2   977100.0  e   1       6506
         HN     14 LYS+ QG      5.90  # m   5   164050.0*2e   1       9190
         HN     14 LYS+ QE      6.40  # m   5    91450.0*2e   1       9058
         HN     15 HIS  HN      4.50  #     3   179100.0  e   1       9033
         HA     13 GLN  HB2     3.40  #     2  1318000.0  e   1       5739
         HA     13 GLN  HB3     3.30  #     2  1460000.0  e   1       5743
         HA     13 GLN  QG      4.60  # i   1   427200.0*2e   1       5735
         HA     14 LYS+ HN      4.20  #     2   376600.0  e   1       5273
         HA     15 HIS  HN      3.80  #     3   482400.0  e   1       6519
         HA     51 GLY  HA1     4.00  #     4   311700.0  e   1       9075
         HA     51 GLY  HA2     3.90  #     4   396700.0  e   1       9074
         HB2    13 GLN  QG      4.60  # m   1   747500.0*2e   1       5734
         HB2    14 LYS+ HN      4.00  #     2   524200.0  e   1       6507
         HB2    14 LYS+ QG      5.80  # m   5   201400.0*2e   1       8370
         HB3    13 GLN  QG      4.70  # m   1   692000.0*2e   1       5742
         HB3    14 LYS+ HN      4.50  #     2   241700.0  e   1       8363
         QG     14 LYS+ HN      6.40  # m   5    98050.0*2e   1       8362
 14 LYS+ 
         HN     14 LYS+ HA      3.50  #     2  1127000.0  e   1       5274
         HN     14 LYS+ HB2     3.60  #     2  1010000.0  e   1       5275
         HN     14 LYS+ HB3     3.90  #     2   567200.0  e   1       5277
         HN     14 LYS+ QG      4.40  # m   1  1096500.0*2e   1       5276
         HN     14 LYS+ QE      6.70  # m   1    47485.0*2e   1       9050
         HN     15 HIS  HN      3.40  #     2  1365000.0  e   1       6427
         HN     15 HIS  HA      5.00  #     2   122100.0  e   1       8331
         HN     15 HIS  HB2     5.60  #     2    65470.0  e   1       8372
         HN     15 HIS  HB3     5.70  #     2    55150.0  e   1       7311
         HN     15 HIS  HD2     4.40  #     5   327000.0  e   1       6511
         HA     14 LYS+ HB2     3.80  #     2   661400.0  e   1       5746
         HA     14 LYS+ HB3     3.70  #     2   734400.0  e   1       5745
         HA     14 LYS+ QG      4.30  # i   1   663000.0*2e   1       5747
         HA     15 HIS  HN      4.00  #     2   466600.0  e   1       5269
         HB2    14 LYS+ QG      4.60  # m   1   830000.0*2e   1       5750
         HB2    15 HIS  HN      4.00  #     2   459700.0  e   1       7308
         HB2    15 HIS  HD2     3.60  #     5  1062000.0  e   1       8368
         HB3    14 LYS+ QG      4.50  # m   1   917500.0*2e   1       5749
         HB3    14 LYS+ QE      5.10  # m   1   344600.0*2e   1       9178
         HB3    15 HIS  HN      4.70  #     2   185300.0  e   1       9053
         HB3    15 HIS  HD2     4.00  #     5   564500.0  e   1       8367
         QG     14 LYS+ QE      5.30  # mm  1  1224000.0*4e   1       9051
         QG     15 HIS  HN      5.60  # m   5   255150.0*2e   1       7310
 15 HIS  
         HN     15 HIS  HA      3.70  #     2   774400.0  e   1       5761
         HN     15 HIS  HB2     3.50  #     2  1185000.0  e   1       5270
         HN     15 HIS  HB3     3.80  #     2   665600.0  e   1       5271
         HN     15 HIS  HD2     3.60  #     1   763100.0  e   1       6420
         HN     16 ASN  HN      4.40  #     2   286600.0  e   1       8373
         HN     16 ASN  HB3     6.00  #   w 2    31010.0  e   1       9288
         HN     22 TRP  HN      5.20  #     4    64990.0  e   1       9545
         HA     15 HIS  HB2     3.60  #     2   956500.0  e   1       5772
         HA     15 HIS  HB3     3.30  #     2  1652000.0  e   1       7085
         HA     15 HIS  HD2     4.10  #     1   352500.0  e   1       5764
         HA     15 HIS  HE1     5.60  #     1    51710.0  e   1       9055
         HA     16 ASN  HN      3.70  #     2   798800.0  e   1       7093
         HA     16 ASN  HB3     5.40  #     2    78430.0  e   1       9384
         HA     22 TRP  HN      4.70  #     4   125100.0  e   1       9544
         HB2    15 HIS  HD2     4.10  #     1   365300.0  e   1       5763
         HB2    22 TRP  HN      3.90  #     5   626600.0  e   1       9615
         HB2    22 TRP  HB2     4.10  #     5   476000.0  e   1       9569
         HB2    22 TRP  HE3     5.00  #     5   152600.0  e   1       9653
         HB3    15 HIS  HD2     4.40  #     1   232700.0  e   1       5775
         HB3    16 ASN  HN      4.40  #     2   285600.0  e   1       8375
         HB3    22 TRP  HN      3.90  #     5   622600.0  e   1       7833
         HB3    22 TRP  HB2     4.40  #     5   325700.0  e   1       9568
         HB3    22 TRP  HE3     5.30  #     5   106900.0  e   1       9654
         HD2    15 HIS  HE1     4.60  #     1   180900.0  e   1       9287
         HE1    22 TRP  HZ2     4.20  #     5   419900.0  e   1       9570
         HE1    22 TRP  HH2     5.10  #     5   135800.0  e   1       9543
 16 ASN  
         HN     16 ASN  HA      3.50  #     2  1150000.0  e   1       9547
         HN     16 ASN  HB2     4.00  #     2   458900.0  e   1       7357
         HN     16 ASN  HB3     3.80  #     2   628200.0  e   1       7358
         HN     16 ASN  HD21    4.40  #     1   241100.0  e   1       8974
         HN     17 ASN  HN      3.20  #     2  2029000.0  e   1       7307
         HN     17 ASN  HB2     6.00 >#   w 2    39530.0  e   1       9664
         HN     17 ASN  HB3     5.10 <#     2   109200.0  e   1       9065
         HA     16 ASN  HB2     3.40  #     2  1218000.0  e   1       9548
         HA     16 ASN  HB3     3.30  #     2  1590000.0  e   1       9549
         HA     17 ASN  HN      3.70  #     2   858600.0  e   1       9550
         HA     50 ALA  QB      5.30  #     5M  469800.0  e   1       9606
         HB2    16 ASN  HD21    3.60  #     1   722200.0  e   1       7565
         HB2    16 ASN  HD22    3.60  #     1   778600.0  e   1       7933
         HB2    17 ASN  HN      5.00  #     2   132300.0  e   1       9552
         HB2    50 ALA  QB      5.20  #     5M  531500.0  e   1       8380
         HB2    51 GLY  HA2     5.10  #     5   138700.0  e   1       9080
         HB3    16 ASN  HD21    3.60  #     1   817900.0  e   1       7568
         HB3    16 ASN  HD22    3.70  #     1   614200.0  e   1       7930
         HB3    17 ASN  HN      5.10  #     2   115300.0  e   1       9697
         HB3    50 ALA  QB      5.00  #     5M  695500.0  e   1       7927
         HB3    51 GLY  HA2     5.00  #     5   147800.0  e   1       9275
 17 ASN  
         HN     17 ASN  HA      3.60  #     2  1017000.0  e   1       5244
         HN     17 ASN  HB2     4.20 >#     2   350300.0  e   1       9627
         HN     17 ASN  HB3     3.60 <#     2   932100.0  e   1       6575
         HN     17 ASN  HD22    5.20  #     1    86660.0  e   1       8117
         HN     18 SER  HN      5.10  #     2   114200.0  e   1       9698
         HN     20 SER  HN      4.90  #     3   113800.0  e   1       9683
         HN     21 THR  HA      5.00  #     3    95200.0  e   1       9553
         HN     21 THR  QG2     5.90  #     5M  246800.0  e   1       9554
         HA     17 ASN  HB2     3.30  #     2  1536000.0  e   1       6578
         HA     17 ASN  HB3     3.30  #     2  1669000.0  e   1       6574
         HA     19 LYS+ HN      5.10  #     3    87130.0  e   1       9272
         HA     20 SER  HN      5.10  #     3    84140.0  e   1       9684
         HB2    17 ASN  HD22    3.50  #     1   863800.0  e   1       7996
         HB2    19 LYS+ HN      4.70  #     3   138900.0  e   1       9270
         HB3    17 ASN  HD22    3.60  #     1   799900.0  e   1       7719
         HB3    19 LYS+ HN      5.00  #     3    93370.0  e   1       9271
 18 SER  
         HN     18 SER  HA      4.10  #     2   438200.0  e   1       6585
         HN     18 SER  QB      4.50  # i   2   590500.0*2e   1       6584
 19 LYS+ 
         HN     19 LYS+ HA      3.50  #     2  1086000.0  e   1       5788
         HN     19 LYS+ HB2     3.60  #     2   909400.0  e   1       5789
         HN     19 LYS+ HB3     3.50  #     2  1129000.0  e   1       9267
         HN     19 LYS+ HG2     4.10  #     1   365600.0  e   1       5786
         HN     19 LYS+ HG3     4.70  #     1   152000.0  e   1       9268
         HN     19 LYS+ QD      7.00  # m w 1    32090.0*2e   1       8159
         HN     20 SER  HN      3.10  #     2  2252000.0  e   1       8778
         HA     19 LYS+ HB2     3.50  #     2  1062000.0  e   1       5258
         HA     19 LYS+ HB3     3.60  #     2   915700.0  e   1       5791
         HA     19 LYS+ HG2     3.70  #     1   684600.0  e   1       7849
         HA     19 LYS+ HG3     3.50  #     1   890000.0  e   1       7848
         HA     19 LYS+ QD      4.90  # m   1   465750.0*2e   1       9565
         HA     20 SER  HN      4.00  #     2   511400.0  e   1       5254
         HA     33 THR  QG2     4.90  #     5M  724100.0  e   1       9763
         HB2    19 LYS+ HG2     3.60  #     1   791100.0  e   1       8107
         HB2    19 LYS+ QD      5.30  # m   1   280400.0*2e   1       9555
         HB2    20 SER  HN      4.10  #     2   430300.0  e   1       6579
         HB2    20 SER  HB3     4.70  #     5   217900.0  r   1       9729
         HB3    19 LYS+ HG2     3.50  #     1   855900.0  e   1       5793
         HB3    20 SER  HN      4.10  #     2   403200.0  e   1       6580
         HB3    20 SER  HB3     5.50  #     5    83280.0  e   1       9730
         HG2    19 LYS+ QD      4.40  # m   1  1206500.0*2e   1       8154
         HG2    20 SER  HN      5.50  #     5    81210.0  e   1       8151
         HG3    19 LYS+ QD      4.40  # m   1  1080500.0*2e   1       8155
         HG3    20 SER  HN      5.20  #     5   115500.0  e   1       8152
         QD     20 SER  HN      7.00  # m w 5    16015.0*2e   1       8150
 20 SER  
         HN     20 SER  HA      3.90  #     2   586400.0  e   1       5253
         HN     20 SER  HB2     4.00  #     2   516500.0  e   1       5794
         HN     20 SER  HB3     4.00  #     2   485900.0  e   1       5795
         HN     21 THR  HN      4.20  #     2   373600.0  e   1       8780
         HN     33 THR  QG2     5.30  #     5M  486900.0  e   1       9731
         HA     20 SER  HB2     4.10  #     2   402500.0  e   1       5800
         HA     20 SER  HB3     4.70  #     2   187400.0  e   1       5803
         HA     21 THR  HN      3.20  #     2  1828000.0  e   1       5403
         HA     33 THR  HN      5.10  #     4    78180.0  e   1       9475
         HA     33 THR  QG2     4.60  #     5M 1151000.0  e   1       9476
         HB2    21 THR  HN      5.10  #     2   112000.0  e   1       8782
 21 THR  
         HN     21 THR  HA      3.70  #     2   856500.0  e   1       5399
         HN     21 THR  HB      3.40  #     2  1349000.0  e   1       5401
         HN     21 THR  QG2     5.50  #     1M  335000.0  e   1       7598
         HN     22 TRP  HN      4.40  #     2   287800.0  e   1       8385
         HN     32 LEU  HN      4.30  #     4   221000.0  e   1       8651
         HN     33 THR  HA      3.50  #     4   709800.0  e   1       9556
         HN     33 THR  QG2     4.70  #     5M  919100.0  e   1       7751
         HN     36 LEU  QD1     6.20  #     5M  176100.0  e   1       9624
         HN     36 LEU  QD2     6.30  #     5M  157400.0  e   1       9629
         HA     21 THR  HB      4.30  #     2   311500.0  e   1       7004
         HA     21 THR  QG2     4.30  #     1M 1477000.0  e   1       7606
         HA     22 TRP  HN      3.10  #     2  2291000.0  e   1       5396
         HA     22 TRP  HA      4.80  #     2   153700.0  e   1       9583
         HA     50 ALA  QB      5.70  #     5M  311200.0  e   1       9631
         HB     21 THR  QG2     3.90  #     1M 2564000.0  e   1       7605
         HB     22 TRP  HN      4.90  #     2   138900.0  e   1       7998
         HB     32 LEU  HN      6.00  #   w 5    45600.0  e   1       9563
         HB     33 THR  HN      5.10  #     5   133400.0  e   1       9557
         HB     33 THR  HA      3.70  #     5   922200.0  e   1       9732
         HB     33 THR  QG2     6.10  #     5M  193300.0  e   1       9559
         HB     36 LEU  HG      4.70  #     5   219700.0  e   1       8510
         HB     36 LEU  QD1     4.70  #     5M 1015000.0  e   1       8509
         HB     36 LEU  QD2     4.70  #     5M  975000.0  e   1       8508
         HB     50 ALA  QB      5.80  #     5M  260900.0  e   1       9632
         QG2    22 TRP  HN      4.80  #     5M  819500.0  e   1       7600
         QG2    22 TRP  HA      6.80  #     5M  104300.0  e   1       8631
         QG2    23 LEU  QD2     6.30  # m   5M  461300.0  e   1       7843
         QG2    32 LEU  HN      5.50  #     5M  357000.0  e   1       8648
         QG2    32 LEU  HB2     5.00  #     5M  623000.0  e   1       9561
         QG2    32 LEU  HB3     5.70  #     5M  288000.0  e   1       9734
         QG2    32 LEU  QD1     5.90  # m   5M  766900.0  e   1       9660
         QG2    33 THR  HN      7.00  #     5M   85110.0  e   1       9623
         QG2    36 LEU  HG      6.40  #     5M  147600.0  e   1       9735
         QG2    36 LEU  QD1     5.20  # m   5M 1905000.0  e   1       9537
         QG2    36 LEU  QD2     5.00  # m   5M 2751000.0  e   1       7604
         QG2    47 ARG+ HA      5.50  #     5M  366600.0  e   1       8954
         QG2    47 ARG+ QB      6.80  # m   5M  273650.0*2e   1       9567
         QG2    50 ALA  HN      6.20  #     5M  184800.0  e   1       8430
         QG2    50 ALA  HA      4.80  #     5M  794500.0  e   1       6854
         QG2    50 ALA  QB      4.80  # m   5M 3389000.0  e   1       9736
         QG2    51 GLY  HN      5.90  #     5M  251300.0  e   1       7672
 22 TRP  
         HN     22 TRP  HA      3.90  #     2   533800.0  e   1       5395
         HN     22 TRP  HB2     3.90  #     2   602600.0  e   1       5397
         HN     22 TRP  HB3     4.10  #     2   402600.0  e   1       5398
         HN     22 TRP  HD1     4.50  #     1   198300.0  e   1       5810
         HN     23 LEU  HN      5.10  #     2   108200.0  e   1       8630
         HN     50 ALA  HA      4.70  #     4   124500.0  e   1       8917
         HN     50 ALA  QB      5.30  #     5M  463400.0  e   1       7832
         HN     51 GLY  HN      4.50  #     4   170100.0  e   1       7673
         HA     22 TRP  HB2     3.80  #     2   646400.0  e   1       5824
         HA     22 TRP  HB3     3.50  #     2  1083000.0  e   1       5825
         HA     22 TRP  HD1     3.30  #     1  1283000.0  e   1       5818
         HA     22 TRP  HE1     5.60  #     1    54510.0  e   1       5817
         HA     23 LEU  HN      3.10  #     2  2517000.0  e   1       6482
         HA     23 LEU  HA      5.10  #     2   116900.0  e   1       9737
         HA     23 LEU  HB2     5.10  #     2   116700.0  e   1       8929
         HA     23 LEU  HG      6.00  #   w 5    35130.0  e   1       8930
         HA     29 VAL  QG1     6.40  #     5M  143000.0  e   1       8567
         HA     30 TYR  HN      5.30  #     4    57030.0  e   1       8654
         HA     31 ASP- HA      3.10  #     4  1668000.0  e   1       6707
         HA     31 ASP- HB2     5.70  #     5    65800.0  e   1       9741
         HA     32 LEU  HN      3.40  #     4   918200.0  e   1       8160
         HB2    22 TRP  HD1     4.70  #     1   154300.0  e   1       5820
         HB2    22 TRP  HE3     3.80  #     1   583200.0  e   1       7523
         HB2    23 LEU  HN      4.00  #     2   521600.0  e   1       9655
         HB2    29 VAL  QG1     6.50  #     5M  134700.0  e   1       9093
         HB3    22 TRP  HD1     4.40  #     1   229100.0  e   1       8025
         HB3    22 TRP  HE3     3.70  #     1   661500.0  e   1       7517
         HB3    23 LEU  HN      3.50  #     2  1163000.0  e   1       9656
         HB3    29 VAL  QG1     5.60  #     5M  320300.0  e   1       9092
         HD1    22 TRP  HE3     3.40  #     1  1174000.0  e   1       8023
         HD1    22 TRP  HE1     3.20  #     1  1671000.0  e   1       7006
         HD1    23 LEU  HN      5.20  #     5   118800.0  e   1       8627
         HD1    31 ASP- HA      3.20  #     5  2189000.0  e   1       8024
         HD1    31 ASP- HB2     4.20  #     5   456600.0  e   1       9739
         HD1    31 ASP- HB3     4.70  #     5   213400.0  e   1       9740
         HD1    32 LEU  HN      4.30  #     5   380100.0  e   1       6477
         HD1    76 ILE  QD1     6.10  #     5M  189900.0  e   1       8578
         HE3    22 TRP  HZ3     3.30  #     1  1443000.0  e   1       7521
         HE3    29 VAL  QG1     5.00 <#     5M  693500.0  e   1       9096
         HE3    29 VAL  QG2     6.70 >#     5M  116100.0  e   1       9738
         HE3    76 ILE  QD1     5.80  #     5M  255700.0  e   1       8579
         HE1    22 TRP  HZ2     3.40  #     1  1073000.0  e   1       7094
         HE1    22 TRP  HH2     5.10  #     1    89340.0  e   1       8020
         HE1    76 ILE  QD1     5.10  #     5M  580900.0  e   1       7864
         HZ3    22 TRP  HZ2     4.50  #     1   212800.0  e   1       8015
         HZ3    22 TRP  HH2     3.20  #     1  1509000.0  e   1       7556
         HZ3    29 VAL  QG1     5.80  #     5M  270300.0  e   1       7511
         HZ3    76 ILE  QD1     6.30  #     5M  155600.0  e   1       7510
         HZ2    22 TRP  HH2     3.10  #     1  1867000.0  e   1       8019
         HZ2    76 ILE  QD1     4.80  #     5M  806800.0  e   1       8018
         HH2    29 VAL  QG1     7.00  #   w 5M   25850.0  e   1       8569
         HH2    76 ILE  QD1     5.40  #     5M  428700.0  e   1       7516
 23 LEU  
         HN     23 LEU  HA      3.70  #     2   761000.0  e   1       5408
         HN     23 LEU  HB2     3.90  #     2   566300.0  e   1       5846
         HN     23 LEU  HB3     4.00  #     2   458000.0  e   1       5848
         HN     23 LEU  HG      3.90  #     1   517300.0  e   1       5847
         HN     23 LEU  QD1     4.30 <#     1M 1525000.0  e   1       5845
         HN     23 LEU  QD2     5.00 >#     1M  605700.0  e   1       7733
         HN     24 ILE  HN      4.80  #     2   159400.0  e   1       9633
         HN     24 ILE  QG1     6.30  # m   5   103000.0*2e   1       9709
         HN     29 VAL  HA      4.90  #     4    99920.0  e   1       9667
         HN     29 VAL  QG1     5.60  #     5M  323500.0  e   1       9342
         HN     30 TYR  HN      3.10  #     4  1571000.0  e   1       6691
         HN     31 ASP- HA      4.50  #     4   156300.0  e   1       9511
         HN     32 LEU  HG      5.40  #     5    94380.0  e   1       9300
         HN     32 LEU  QD2     7.00  #   w 5M   73840.0  e   1       9439
         HA     23 LEU  HB2     3.60  #     2   901000.0  e   1       8147
         HA     23 LEU  HB3     3.60  #     2   974200.0  e   1       8013
         HA     23 LEU  HG      3.90  #     1   445300.0  e   1       8588
         HA     23 LEU  QD1     6.30  #     1M  144400.0  e   1       7740
         HA     23 LEU  QD2     5.90  #     1M  222500.0  e   1       8495
         HA     24 ILE  HN      3.30  #     2  1674000.0  e   1       5849
         HA     51 GLY  HN      3.80  #     4   429700.0  e   1       7728
         HA     52 GLY  HN      3.90  #     4   359300.0  e   1       6909
         HB2    23 LEU  HG      3.20  #     1  1477000.0  e   1       8498
         HB2    23 LEU  QD1     4.40  #     1M 1288000.0  e   1       7099
         HB2    23 LEU  QD2     4.70  #     1M  904400.0  e   1       8496
         HB2    24 ILE  HN      3.30 <#     2  1587000.0  e   1       8621
         HB2    50 ALA  HA      4.80  #     5   195700.0  e   1       9634
         HB2    51 GLY  HN      4.90  #     5   162900.0  e   1       8918
         HB2    52 GLY  HN      5.40  #     5    89090.0  e   1       7839
         HB3    23 LEU  HG      3.30  #     1  1420000.0  e   1       8146
         HB3    23 LEU  QD1     5.20  #     1M  467800.0  e   1       7097
         HB3    23 LEU  QD2     4.80  #     1M  739500.0  e   1       7735
         HB3    24 ILE  HN      3.90 >#     2   584600.0  e   1       8637
         HB3    50 ALA  HA      4.30  #     5   375100.0  e   1       9685
         HB3    51 GLY  HN      4.80  #     5   193400.0  e   1       9100
         HB3    52 GLY  HN      5.10  #     5   127200.0  e   1       8926
         HG     23 LEU  QD1     4.20  #     1M 1684000.0  e   1       7098
         HG     23 LEU  QD2     4.70  #     1M  849900.0  e   1       7737
         QD1    24 ILE  HN      5.60  #     5M  326400.0  e   1       7095
         QD1    24 ILE  HA      6.60  #     5M  124700.0  e   1       9625
         QD1    25 LEU  HG      5.00  #     5M  630000.0  e   1       8592
         QD1    25 LEU  QD1     6.20  # m   5M  527800.0  e   1       9306
         QD1    25 LEU  QD2     6.30  # m   5M  444400.0  e   1       9305
         QD1    30 TYR  HN      6.30  #     5M  168200.0  e   1       7657
         QD1    30 TYR  HB2     6.10  #     5M  200100.0  e   1       9742
         QD1    30 TYR  HB3     5.40  #     5M  397100.0  e   1       9538
         QD1    30 TYR  QD      7.80  # r   5M  281300.0*2e   1       9515
         QD1    30 TYR  QE      9.00  # r w 5M   60350.0*2e   1       9514
         QD1    46 LEU  HA      7.00 >#   w 5M   60520.0  e   1       8863
         QD1    50 ALA  HN      7.00  #   w 5M       0.0  e   1       8428
         QD1    50 ALA  HA      6.00  #     5M  213000.0  e   1       9098
         QD1    50 ALA  QB      8.00 ># m w 5M   45330.0  e   1       8131
         QD1    51 GLY  HN      7.00  #   w 5M   72520.0  e   1       7826
         QD1    52 GLY  HN      7.00  #   w 5M   77440.0  e   1       8014
         QD1    54 ALA  HN      6.50  #     5M  129500.0  e   1       9341
         QD1    54 ALA  QB      5.60  # m   5M 1099000.0  e   1       8590
         QD1   117 LHEM HV2C    4.70  #     5M  973280.0  e   2       8565
         QD2    24 ILE  HN      6.20  #     5M  174900.0  e   1       8925
         QD2    25 LEU  QD1     7.20  # m   5M  179400.0  e   1       8594
         QD2    25 LEU  QD2     8.00  # m w 5M   61710.0  e   1       9447
         QD2    46 LEU  HA      5.60 <#     5M  335700.0  e   1       8458
         QD2    49 GLN  HN      6.90  #     5M   91510.0  e   1       8580
         QD2    49 GLN  HB2     5.40  #     5M  399200.0  e   1       9540
         QD2    49 GLN  HG3     6.30  #     5M  163400.0  e   1       8935
         QD2    50 ALA  HN      6.90  #     5M   96610.0  e   1       8427
         QD2    50 ALA  HA      5.40  #     5M  405200.0  e   1       9099
         QD2    50 ALA  QB      7.00 <# m   5M  229200.0  e   1       8130
         QD2    51 GLY  HN      6.20  #     5M  173900.0  e   1       7825
         QD2    52 GLY  HN      6.40  #     5M  141600.0  e   1       7838
         QD2    54 ALA  HN      7.00  #   w 5M   67940.0  e   1       9340
         QD2    54 ALA  QB      5.70  # m   5M  971900.0  e   1       8589
 24 ILE  
         HN     24 ILE  HA      3.80  #     2   648200.0  e   1       5502
         HN     24 ILE  HB      3.40  #     2  1391000.0  e   1       5499
         HN     24 ILE  QG2     5.60  #     1M  306900.0  e   1       7104
         HN     24 ILE  QG1     4.70  # m   1   655500.0*2e   1       5501
         HN     24 ILE  QD1     5.30  #     1M  402000.0  e   1       5500
         HN     25 LEU  HN      4.90  #     2   150200.0  e   1       9038
         HN     25 LEU  QD1     6.60  #     5M  123700.0  e   1       9354
         HN     53 ASP- HB3     5.40  #     5    91970.0  e   1       8240
         HN     54 ALA  HN      3.90  #     4   397200.0  e   1       9611
         HN     54 ALA  QB      5.80  #     5M  270100.0  e   1       8622
         HA     24 ILE  HB      4.10  #     2   395400.0  e   1       5855
         HA     24 ILE  QG2     4.30  #     1M 1432000.0  e   1       6608
         HA     24 ILE  QG1     5.00  # i   1   233650.0*2e   1       5862
         HA     24 ILE  QD1     5.10  #     1M  549000.0  e   1       5866
         HA     25 LEU  HN      3.20  #     2  1851000.0  e   1       5511
         HA     29 VAL  HA      3.80  #     4   423500.0  e   1       9637
         HA     29 VAL  QG1     6.60  #     5M  124800.0  e   1       9635
         HA     29 VAL  QG2     6.20  #     5M  182100.0  e   1       9636
         HA     30 TYR  HN      4.80  #     4   102400.0  e   1       8906
         HA     30 TYR  QD      6.30  # r   5   361800.0*2e   1       7450
         HA     30 TYR  QE      6.90  # r   5   161150.0*2e   1       7451
         HB     24 ILE  QG2     4.10  #     1M 2064000.0  e   1       5863
         HB     24 ILE  QG1     4.20  # m   1  1528500.0*2e   1       5858
         HB     24 ILE  QD1     4.60  #     1M  911600.0  e   1       5867
         HB     53 ASP- HN      4.80  #     5   179700.0  e   1       8129
         HB     53 ASP- HB3     4.60  #     5   262800.0  e   1       8239
         QG2    24 ILE  QG1     5.40  # m   1M 1289500.0*2e   1       8911
         QG2    24 ILE  QD1     5.30  # m   1M 1478000.0  e   1       8109
         QG2    25 LEU  HN      4.40  #     5M 1512000.0  e   1       9304
         QG2    25 LEU  HA      6.00  #     5M  227200.0  e   1       9744
         QG2    26 HIS  HN      6.30  #     5M  162800.0  e   1       7689
         QG2    26 HIS  HA      7.00  #   w 5M   79930.0  e   1       7744
         QG2    27 TYR  HN      4.10  #     5M 2072000.0  e   1       7613
         QG2    27 TYR  HA      4.50  #     5M 1174000.0  e   1       9639
         QG2    27 TYR  HB3     7.00  #   w 5M   31420.0  e   1       8030
         QG2    27 TYR  QD      7.90  # r   5M  251900.0*2e   1       9638
         QG2    28 LYS+ HN      5.10  #     5M  588600.0  e   1       9743
         QG2    30 TYR  QD      9.00  # r w 5M   44570.0*2e   1       8922
         QG2    30 TYR  QE      9.00  # r w 5M   57250.0*2e   1       8908
         QG2    53 ASP- HB2     7.00  #   w 5M   55090.0  e   1       9710
         QG2    53 ASP- HB3     7.00  #   w 5M   73290.0  e   1       8237
         QG2    79 LEU  HN      5.80  #     5M  275600.0  e   1       9669
         QG2    79 LEU  QD1     6.00  # m   5M  636700.0  e   1       9381
         QG2    79 LEU  QD2     5.80  # m   5M  800700.0  e   1       9708
         QG1    24 ILE  QD1     5.70  # m   1M  822500.0*2e   1       5857
         QG1    29 VAL  QG1     6.30  # m   5M  456900.0*2e   1       8909
         QG1    29 VAL  QG2     5.60  # m   5M 1094000.0*2e   1       8910
         QG1    53 ASP- HA      5.90  # m   5   172100.0*2e   1       9713
         QG1    53 ASP- HB2     5.50  # m   5   265950.0*2e   1       8234
         QG1    53 ASP- HB3     5.60  # m   5   240150.0*2e   1       9618
         QG1    79 LEU  HN      5.80  # m   5   180200.0*2e   1       9670
         QG1    79 LEU  QD1     5.20  # m   5M 1829500.0*2e   1       9673
         QG1    79 LEU  QD2     5.50  # m   5M 1170500.0*2e   1       9672
 25 LEU  
         HN     25 LEU  HA      3.80  #     2   633000.0  e   1       5505
         HN     25 LEU  HB2     3.70 <#     2   819300.0  e   1       5506
         HN     25 LEU  HB3     4.40 >#     2   296100.0  e   1       5510
         HN     25 LEU  HG      4.80  #     1   135900.0  e   1       5898
         HN     25 LEU  QD1     5.90  #     1M  206800.0  e   1       5509
         HN     25 LEU  QD2     6.00  #     1M  185500.0  e   1       5508
         HN     26 HIS  HN      4.30  #     2   327600.0  e   1       7762
         HN     27 TYR  HN      4.60  #     3   159100.0  e   1       9746
         HN     28 LYS+ HN      3.90  #     3   457300.0  e   1       8913
         HN     29 VAL  HA      4.00  #     3   346400.0  e   1       8912
         HN     30 TYR  QD      6.30  # r   5   370500.0*2e   1       7592
         HN     30 TYR  QE      5.70  # r   5   860000.0*2e   1       7441
         HA     25 LEU  HB2     3.80  #     2   670500.0  e   1       5880
         HA     25 LEU  HB3     3.70  #     2   829400.0  e   1       5883
         HA     25 LEU  HG      3.80  #     1   526600.0  e   1       5897
         HA     25 LEU  QD1     4.40 <#     1M 1221000.0  e   1       5903
         HA     25 LEU  QD2     5.90 >#     1M  213200.0  e   1       5908
         HA     26 HIS  HN      3.10  #     2  2529000.0  e   1       7527
         HA     27 TYR  HN      4.60  #     3   156000.0  e   1       9747
         HA     28 LYS+ HN      4.70  #     3   134700.0  e   1       8915
         HA     54 ALA  HN      4.30  #     4   217600.0  e   1       8920
         HA     55 THR  HA      3.80  #     4   485500.0  e   1       6886
         HA     55 THR  QG2     5.70  #     5M  313800.0  e   1       7543
         HB2    25 LEU  HG      3.20  #     1  1579000.0  e   1       5896
         HB2    25 LEU  QD1     5.40  #     1M  382600.0  e   1       5902
         HB2    25 LEU  QD2     4.20  #     1M 1794000.0  e   1       5876
         HB2    26 HIS  HN      6.00 >#     2    44220.0  e   1       8957
         HB2    30 TYR  QD      6.50 <# r   5   271450.0*2e   1       9748
         HB2    30 TYR  QE      5.70  # r   5   901000.0*2e   1       7016
         HB2    55 THR  HA      5.10  #     5   134600.0  e   1       7763
         HB3    25 LEU  HG      3.30  #     1  1393000.0  e   1       5890
         HB3    25 LEU  QD1     4.40  #     1M 1257000.0  e   1       5901
         HB3    25 LEU  QD2     4.10  #     1M 2056000.0  e   1       5888
         HB3    26 HIS  HN      4.20 <#     2   358600.0  e   1       7530
         HB3    26 HIS  HD2     4.40  #     5   336900.0  e   1       7547
         HB3    30 TYR  QD      7.90 ># r   5    53350.0*2e   1       9432
         HB3    30 TYR  QE      6.10  # r   5   533000.0*2e   1       7458
         HB3    55 THR  HA      4.80  #     5   185200.0  e   1       9299
         HG     25 LEU  QD1     4.10  #     1M 2036000.0  e   1       5894
         HG     25 LEU  QD2     4.00  #     1M 2384000.0  e   1       5893
         HG     26 HIS  HN      6.00  #   w 5    37360.0  e   1       8538
         HG     30 TYR  QD      6.90  # r   5   166900.0*2e   1       9431
         HG     30 TYR  QE      6.40  # r   5   313250.0*2e   1       7457
         HG     54 ALA  HN      6.00  #   w 5    34940.0  e   1       8958
         QD1    26 HIS  HN      5.50 <#     5M  361900.0  e   1       7662
         QD1    26 HIS  HD2     6.80  #     5M  104700.0  e   1       6882
         QD1    30 TYR  QD      9.00 ># r w 5M   53150.0*2e   1       7462
         QD1    30 TYR  QE      8.90 ># r   5M   94100.0*2e   1       7461
         QD1    54 ALA  HN      4.90  #     5M  736300.0  e   1       7553
         QD1    54 ALA  QB      5.20  # m   5M 1884000.0  e   1       8591
         QD1    55 THR  HN      4.90  #     5M  744200.0  e   1       7554
         QD1    55 THR  HA      4.20 <#     5M 1807000.0  e   1       6885
         QD1    55 THR  QG2     6.80  # m   5M  259000.0  e   1       7743
         QD1    58 PHE  HN      5.70 <#     5M  301900.0  e   1       9513
         QD1    59 GLU- HN      7.00  #   w 5M   75790.0  e   1       7656
         QD1   117 LHEM QM3     4.30  #     5M 1608600.0  e   2       8624
         QD2    26 HIS  HN      7.00 >#   w 5M   35500.0  e   1       7940
         QD2    30 TYR  QD      7.90 <# r   5M  243550.0*2e   1       6880
         QD2    30 TYR  QE      7.30 <# r   5M  461150.0*2e   1       7463
         QD2    55 THR  HA      7.00 >#   w 5M   70990.0  e   1       9102
         QD2    58 PHE  HN      7.00 >#   w 5M   16380.0  e   1       9512
         QD2   117 LHEM HV2A    4.70  #     5M  905380.0  e   2       8559
         QD2   117 LHEM HV2T    4.60  #     5M 1036980.0  e   2       8546
         QD2   117 LHEM HV2C    4.40  #     5M 1493800.0  e   2       8545
         QD2   117 LHEM QM3     4.80  #     5M  837060.0  e   2       8547
 26 HIS  
         HN     26 HIS  HA      3.30  #     2  1600000.0  e   1       6561
         HN     26 HIS  QB      5.20  # i   2   224500.0*2e   1       7528
         HN     26 HIS  HD2     4.60  #     1   169400.0  e   1       7545
         HN     26 HIS  HE1     6.00  #   w 1    22450.0  e   1       8145
         HN     27 TYR  HN      3.70  #     2   839900.0  e   1       7540
         HN     28 LYS+ HN      4.50  #     3   190500.0  e   1       8010
         HN     30 TYR  QE      8.00  # r w 5    15850.0*2e   1       8548
         HN     55 THR  HN      4.50  #     4   170800.0  e   1       7970
         HN     55 THR  HA      4.20  #     4   247400.0  e   1       7663
         HN     55 THR  QG2     4.50  #     5M 1178000.0  e   1       7529
         HA     26 HIS  QB      4.60  # m   2  1010500.0*2e   1       7539
         HA     26 HIS  HD2     4.90  #     1   122700.0  e   1       7532
         HA     27 TYR  HN      3.20  #     2  2101000.0  e   1       7548
         HA     55 THR  QG2     5.30  #     5M  445500.0  e   1       7535
         QB     26 HIS  HD2     4.80  # m   1   524000.0*2e   1       6790
         QB     27 TYR  HN      5.20  # m   2   387750.0*2e   1       7546
         HD2    55 THR  QG2     5.50  #     5M  368200.0  e   1       6987
 27 TYR  
         HN     27 TYR  HA      2.90  #     2  3694000.0  e   1       5390
         HN     27 TYR  HB2     4.20  #     2   369700.0  e   1       5940
         HN     27 TYR  HB3     3.70  #     2   767400.0  e   1       5944
         HN     27 TYR  QD      5.90  # r   1   450850.0*2e   1       7549
         HN     27 TYR  QE      5.80  # m   1   128000.0*2e   1       8134
         HA     27 TYR  HB2     3.60  #     2   988700.0  e   1       5938
         HA     27 TYR  HB3     3.70  #     2   793200.0  e   1       5942
         HA     27 TYR  QD      4.60  # m   1   839000.0*2e   1       6668
         HA     27 TYR  QE      5.70  # i   1    89000.0*2e   1       9725
         HA     28 LYS+ HN      4.10  #     2   449200.0  e   1       6739
         HA     79 LEU  HN      4.80  #     4   110900.0  e   1       7801
         HB2    27 TYR  QD      5.40  # r   1  1029000.0*2e   1       7551
         HB2    27 TYR  QE      7.00  # r   1   106950.0*2e   1       8136
         HB2    79 LEU  HN      5.30  #     5   101700.0  e   1       7800
         HB2    79 LEU  QD1     7.00  #   w 5M   12360.0  e   1       9108
         HB2    79 LEU  QD2     7.00  #   w 5M   18400.0  e   1       9105
         HB3    27 TYR  QD      5.80  # r   1   591000.0*2e   1       7550
         HB3    27 TYR  QE      7.10  # r   1    90450.0*2e   1       8135
         HB3    79 LEU  HN      4.60  #     5   235200.0  e   1       7799
         HB3    79 LEU  QD1     7.00  #   w 5M   41830.0  e   1       9109
         HB3    79 LEU  QD2     7.00  #   w 5M   42130.0  e   1       9104
         QD     27 TYR  QE      7.50  # rr  1   998500.0*4e   1       8139
         QD     28 LYS+ QB      8.60  # rm  5    77175.0*4e   1       9110
         QD     79 LEU  HN      8.00  # r   5    49110.0*2e   1       7802
         QD     79 LEU  QD2     6.60  # r   5M 1111500.0*2e   1       8026
         QD     84 ARG+ HA      7.10  # r   5   134000.0*2e   1       8393
         QD     84 ARG+ HB2     6.40  # r   5   344300.0*2e   1       8392
         QD     84 ARG+ HB3     7.00  # r   5   153000.0*2e   1       8394
         QD     84 ARG+ HE      8.00  # r   5    50900.0*2e   1       8395
         QE     79 LEU  QD2     8.50  # r   5M  139150.0*2e   1       8599
         QE     84 ARG+ HA      6.30  # r   5   348100.0*2e   1       9759
         QE     84 ARG+ HB2     6.30  # r   5   355600.0*2e   1       9758
         QE     84 ARG+ HB3     6.50  # r   5   279800.0*2e   1       9757
         QE     84 ARG+ HE      8.00  # r w 5    14695.0*2e   1       9760
 28 LYS+ 
         HN     28 LYS+ HA      3.50  #     2  1124000.0  e   1       9661
         HN     28 LYS+ QB      5.10  # i   2   238850.0*2e   1       5519
         HN     28 LYS+ HG2     4.70 >#     1   158000.0  e   1       7013
         HN     28 LYS+ HG3     3.80 <#     1   568500.0  e   1       8564
         HN     28 LYS+ HD2     4.10  #     1   338400.0  e   1       7011
         HN     28 LYS+ HD3     3.80  #     1   528900.0  e   1       7010
         HN     30 TYR  QE      8.00  # r w 5    40250.0*2e   1       8004
         HN     78 GLU- HA      4.90  #     4   101100.0  e   1       9587
         HA     28 LYS+ QB      4.80  # m   2   632500.0*2e   1       9726
         HA     29 VAL  HN      3.20  #     2  2104000.0  e   1       9592
         QB     28 LYS+ HD2     5.20 ># m   1   320900.0*2e   1       9163
         QB     28 LYS+ HD3     4.30 <# m   1  1398000.0*2e   1       7827
         QB     29 VAL  HN      5.80  # m   2   171150.0*2e   1       9727
         QB     30 TYR  QE      7.00  # mr  5   537250.0*4e   1       7019
         QB     75 ILE  QG2     8.00  # m w 5M   43355.0*2e   1       9285
         QB     75 ILE  QD1     8.00  # m w 5M   30265.0*2e   1       9284
         HG2    28 LYS+ HD3     5.40  #     1    63250.0  e   1       7828
         HG3    28 LYS+ HD2     3.80  #     1   608000.0  e   1       8005
         HG3    28 LYS+ HD3     3.60  #     1   795400.0  e   1       7829
         HG3    30 TYR  QE      7.80  # r   5    60050.0*2e   1       7018
         HG3    78 GLU- HA      5.10  #     5   132900.0  e   1       9588
         HD2    29 VAL  HN      5.50  #     5    83450.0  e   1       8560
         HD2    30 TYR  QE      7.00 ># r   5   143200.0*2e   1       7017
         HD2    78 GLU- HA      5.20  #     5   122600.0  e   1       9589
         HD3    30 TYR  QD      6.20  # r   5   435800.0*2e   1       6699
         HD3    30 TYR  QE      6.20 <# r   5   450000.0*2e   1       7468
         HD3    78 GLU- HA      5.30  #     5   110500.0  e   1       9590
 29 VAL  
         HN     29 VAL  HA      4.00  #     2   469900.0  e   1       5517
         HN     29 VAL  HB      3.40  #     2  1225000.0  e   1       5516
         HN     29 VAL  QG1     5.80 >#     1M  225900.0  e   1       5514
         HN     29 VAL  QG2     4.50 <#     1M 1165000.0  e   1       5515
         HN     30 TYR  HN      4.50  #     2   233200.0  e   1       5306
         HN     30 TYR  QE      8.00  # r w 5    24670.0*2e   1       9343
         HN     75 ILE  QG2     5.50  #     5M  365800.0  e   1       8620
         HN     77 GLY  HN      3.80  #     4   442800.0  e   1       8482
         HN     78 GLU- HA      3.40  #     4   831200.0  e   1       8866
         HN     78 GLU- HB2     6.00  #   w 5    39660.0  e   1       8867
         HN     78 GLU- QG      7.00  # m w 5    15345.0*2e   1       8883
         HA     29 VAL  HB      4.40  #     2   283800.0  e   1       5947
         HA     29 VAL  QG1     4.60  #     1M  933500.0  e   1       5960
         HA     29 VAL  QG2     4.30  #     1M 1408000.0  e   1       5955
         HA     30 TYR  HN      3.00  #     2  3020000.0  e   1       5380
         HA     30 TYR  QD      6.00  # r   5   580000.0*2e   1       7452
         HA     30 TYR  QE      6.30  # r   5   372750.0*2e   1       7453
         HB     29 VAL  QG1     4.10  #     1M 1926000.0  e   1       5958
         HB     29 VAL  QG2     4.00  #     1M 2246000.0  e   1       5954
         HB     76 ILE  HN      5.00  #     5   142700.0  e   1       8198
         HB     76 ILE  HG12    4.30  #     5   359600.0  e   1       9503
         HB     76 ILE  QD1     7.00  #   w 5M   36050.0  e   1       9504
         HB     77 GLY  HN      4.30  #     5   386000.0  e   1       7470
         QG1    30 TYR  HN      4.70  #     5M 1019000.0  e   1       6319
         QG1    30 TYR  HA      6.30  #     5M  163100.0  e   1       7946
         QG1    76 ILE  HN      6.50 <#     5M  137500.0  e   1       8070
         QG1    76 ILE  QG2     6.70  # m   5M  288400.0  e   1       9506
         QG1    76 ILE  HG12    4.60  #     5M 1044000.0  e   1       9138
         QG1    76 ILE  QD1     6.40  # m   5M  419300.0  e   1       9505
         QG1    77 GLY  HN      6.80  #     5M  103500.0  e   1       7269
         QG1    78 GLU- HA      7.00 >#   w 5M   22210.0  e   1       9136
         QG2    30 TYR  HN      4.90  #     5M  733600.0  e   1       6763
         QG2    76 ILE  HN      7.00 >#   w 5M   10130.0  e   1       9137
         QG2    76 ILE  HG12    7.00  #   w 5M   45890.0  e   1       9139
         QG2    77 GLY  HN      7.00  #   w 5M   55200.0  e   1       8483
         QG2    78 GLU- HN      6.80  #     5M  100600.0  e   1       8540
         QG2    78 GLU- HA      4.90 <#     5M  789200.0  e   1       6689
         QG2    78 GLU- HB2     7.00  #   w 5M   53610.0  e   1       9471
         QG2    79 LEU  HN      5.30  #     5M  464900.0  e   1       5424
         QG2    80 HIS  HN      7.00  #   w 5M   48240.0  e   1       7938
 30 TYR  
         HN     30 TYR  HA      4.20  #     2   364400.0  e   1       5381
         HN     30 TYR  HB2     3.60  #     2   974200.0  e   1       5969
         HN     30 TYR  HB3     4.00  #     2   463000.0  e   1       5976
         HN     30 TYR  QD      5.80  # r   1   585500.0*2e   1       5310
         HN     30 TYR  QE      5.80  # m   1   131300.0*2e   1       7447
         HN     31 ASP- HN      4.90  #     2   141100.0  e   1       9039
         HN     32 LEU  QD2     6.80  #     5M  100900.0  e   1       9250
         HN     76 ILE  HN      6.00  #   w 4    18100.0  e   1       8671
         HA     30 TYR  HB2     4.00  #     2   484900.0  e   1       5971
         HA     30 TYR  HB3     4.00  #     2   517700.0  e   1       5974
         HA     30 TYR  QD      5.00  # m   1   397300.0*2e   1       5963
         HA     30 TYR  QE      5.20  # i   1   173700.0*2e   1       7445
         HA     31 ASP- HN      2.90  #     2  3362000.0  e   1       5977
         HA     75 ILE  HA      3.10  #     4  1426000.0  e   1       6866
         HA     76 ILE  HN      3.40  #     4   935700.0  e   1       7908
         HA     76 ILE  QG2     6.60  #     5M  124700.0  e   1       8672
         HA     76 ILE  HG13    5.00  #     5   154800.0  e   1       8673
         HB2    30 TYR  QD      5.30  # r   1  1230500.0*2e   1       5962
         HB2    30 TYR  QE      6.70  # r   1   146400.0*2e   1       7871
         HB2    31 ASP- HN      5.00 >#     2   122600.0  e   1       9608
         HB2    32 LEU  QD1     5.20  #     5M  512000.0  e   1       7899
         HB2    32 LEU  QD2     5.10  #     5M  556000.0  e   1       7596
         HB2    75 ILE  HA      5.70  #     5    68520.0  e   1       9113
         HB3    30 TYR  QD      5.40  # r   1  1151000.0*2e   1       5961
         HB3    30 TYR  QE      6.70  # r   1   149850.0*2e   1       7444
         HB3    31 ASP- HN      4.10 <#     2   423700.0  e   1       5367
         HB3    32 LEU  QD1     5.30  #     5M  473300.0  e   1       8660
         HB3    32 LEU  QD2     4.60  #     5M 1033000.0  e   1       7597
         HB3    75 ILE  HA      5.20  #     5   121400.0  e   1       9112
         QD     30 TYR  QE      7.50  # rr  1   913500.0*4e   1       7448
         QD     31 ASP- HN      7.60  # r   5    75100.0*2e   1       9607
         QD     32 LEU  HG      6.60  # r   5   254150.0*2e   1       7898
         QD     32 LEU  QD2     7.40  # r   5M  396250.0*2e   1       6893
         QD     71 SER  HA      7.60  # r   5    71600.0*2e   1       8607
         QD     74 PHE  QB      7.20  # rm  5   427750.0*4e   1       8533
         QD     74 PHE  QD      9.30  # rr  5   103625.0*4e   1       8532
         QE     32 LEU  QD2     9.00  # r w 5M   30745.0*2e   1       8720
         QE     71 SER  HA      6.20  # r   5   404100.0*2e   1       7454
         QE     71 SER  QB      7.50  # rm  5   292500.0*4e   1       8003
         QE     75 ILE  QG2     8.80  # r   5M   99800.0*2e   1       8901
         QE     75 ILE  QD1     7.60  # r   5M  315550.0*2e   1       6680
 31 ASP- 
         HN     31 ASP- HA      3.90  #     2   580400.0  e   1       5364
         HN     31 ASP- HB2     3.70  #     2   848300.0  e   1       5978
         HN     31 ASP- HB3     3.40  #     2  1318000.0  e   1       5385
         HN     32 LEU  HN      4.70  #     2   197200.0  e   1       9596
         HN     32 LEU  QD1     7.00  #   w 5M   56030.0  e   1       9251
         HN     74 PHE  QB      5.40  # m   5   316850.0*2e   1       7901
         HN     75 ILE  HA      4.00  #     4   318600.0  e   1       8636
         HN     76 ILE  HN      4.30  #     4   209300.0  e   1       8613
         HN     76 ILE  QG2     4.80  #     5M  872200.0  e   1       7902
         HN     76 ILE  HG12    5.30 >#     5   101600.0  e   1       9494
         HN     76 ILE  HG13    3.90 <#     5   679600.0  e   1       7878
         HN     76 ILE  QD1     6.20  #     5M  172300.0  e   1       7865
         HA     31 ASP- HB2     3.60  #     2   873700.0  e   1       7022
         HA     31 ASP- HB3     4.10  #     2   423900.0  e   1       5986
         HA     32 LEU  HN      3.10  #     2  2202000.0  e   1       5359
         HA     32 LEU  QD2     7.00  #   w 5M   47080.0  e   1       8719
         HA     33 THR  HN      3.70  #     3   571000.0  e   1       6447
         HB2    32 LEU  HN      5.00  #     2   131100.0  e   1       8856
         HB2    33 THR  HN      3.80  #     3   483500.0  e   1       7472
         HB2    76 ILE  QD1     6.00 >#     5M  228200.0  e   1       9115
         HB3    76 ILE  QG2     4.80  #     5M  895500.0  e   1       7611
         HB3    76 ILE  HG13    4.90  #     5   167200.0  e   1       8200
         HB3    76 ILE  QD1     5.10 <#     5M  590300.0  e   1       7609
 32 LEU  
         HN     32 LEU  HA      3.60  #     2   911500.0  e   1       5360
         HN     32 LEU  HB2     3.50  #     2  1177000.0  e   1       6002
         HN     32 LEU  HB3     3.80  #     2   669500.0  e   1       5997
         HN     32 LEU  HG      3.80  #     1   527500.0  e   1       5362
         HN     32 LEU  QD1     5.60  #     1M  292500.0  e   1       7114
         HN     32 LEU  QD2     5.50  #     1M  313600.0  e   1       5361
         HN     33 THR  HN      3.40  #     2  1320000.0  e   1       5357
         HA     32 LEU  HB2     3.90  #     2   591800.0  e   1       6003
         HA     32 LEU  HB3     3.60  #     2   979900.0  e   1       5998
         HA     32 LEU  HG      4.90  #     1   113000.0  e   1       8201
         HA     32 LEU  QD1     6.10 >#     1M  180500.0  e   1       6015
         HA     32 LEU  QD2     3.90 <#     1M 2697000.0  e   1       6021
         HA     33 THR  HN      4.10  #     2   423100.0  e   1       7471
         HA     34 LYS+ HN      4.60  #     3   149200.0  e   1       8721
         HA     35 PHE  HN      3.90  #     3   445500.0  e   1       7197
         HA     35 PHE  HB2     3.90  #     3   436300.0  e   1       7201
         HA     35 PHE  QD      7.30  # r   5   103850.0*2e   1       7200
         HA     74 PHE  QD      7.50  # r   5    87650.0*2e   1       9365
         HA     74 PHE  QE      7.90  # r   5    51900.0*2e   1       9366
         HB2    32 LEU  QD1     4.50  #     1M 1128000.0  e   1       6701
         HB2    32 LEU  QD2     4.80  #     1M  722000.0  e   1       6019
         HB2    33 THR  HN      4.40  #     2   280800.0  e   1       7475
         HB2    35 PHE  HB2     5.00  #     5   155200.0  e   1       9016
         HB2    35 PHE  HB3     4.10  #     5   480800.0  e   1       9584
         HB2    35 PHE  QD      7.50 ># r   5    83150.0*2e   1       9017
         HB3    32 LEU  HG      3.50  #     1   996400.0  e   1       6000
         HB3    32 LEU  QD1     4.50  #     1M 1128000.0  e   1       7116
         HB3    32 LEU  QD2     4.30  #     1M 1465000.0  e   1       6020
         HB3    33 THR  HN      5.00  #     2   133000.0  e   1       8639
         HB3    33 THR  HA      6.00  #   w 2    20920.0  e   1       9001
         HB3    35 PHE  HB2     4.00  #     5   548700.0  e   1       9595
         HB3    35 PHE  HB3     3.50  #     5  1359000.0  e   1       9593
         HB3    35 PHE  QD      6.20 <# r   5   435000.0*2e   1       7199
         HG     32 LEU  QD1     4.20  #     1M 1644000.0  e   1       7113
         HG     32 LEU  QD2     4.20  #     1M 1772000.0  e   1       6018
         HG     33 THR  HN      5.10  #     5   130100.0  e   1       7474
         HG     35 PHE  QD      8.00  # r w 5    39035.0*2e   1       9488
         QD1    33 THR  HN      7.00 >#   w 5M   16980.0  e   1       6450
         QD1    35 PHE  HB3     5.40  #     5M  425500.0  e   1       9116
         QD1    35 PHE  QD      7.70  # r   5M  292300.0*2e   1       7198
         QD1   117 LHEM HV2A    5.10  #     5M  603960.0  e   2       8637
         QD1   117 LHEM HV2T    7.00 >#   w 5M   69552.0  e   2       8566
         QD1   117 LHEM HV2C    5.00 >#     5M  651560.0  e   2       8597
         QD2    33 THR  HN      6.10 <#     5M  202000.0  e   1       7879
         QD2    35 PHE  HA      6.90  #     5M   95000.0  e   1       8215
         QD2    35 PHE  HB2     5.00  #     5M  647900.0  e   1       7423
         QD2    35 PHE  HB3     4.90  #     5M  786800.0  e   1       9117
         QD2    35 PHE  QD      7.20  # r   5M  533500.0*2e   1       7202
         QD2    71 SER  HA      7.00  #     5M   87380.0  e   1       7436
         QD2    74 PHE  HN      6.70  #     5M  115700.0  e   1       8266
         QD2    74 PHE  QB      6.80  # m   5M  275300.0*2e   1       8773
         QD2    74 PHE  QD      7.10  # r   5M  564500.0*2e   1       6891
         QD2    74 PHE  QE      8.40  # r   5M  154100.0*2e   1       6892
         QD2    74 PHE  HZ      7.00  #   w 5M   60680.0  e   1       7407
         QD2   117 LHEM QM1     6.40  #     5M  145880.0  e   2       7433
         QD2   117 LHEM HV2A    4.60  #     5M 1086960.0  e   2       8563
         QD2   117 LHEM HV2T    5.00 <#     5M  635740.0  e   2       8561
         QD2   117 LHEM HV2C    4.20 <#     5M 2020200.0  e   2       8562
 33 THR  
         HN     33 THR  HA      3.40  #     2  1294000.0  e   1       5350
         HN     33 THR  HB      3.60  #     2  1015000.0  e   1       5351
         HN     33 THR  QG2     5.30  #     1M  395000.0  e   1       7473
         HN     34 LYS+ HN      3.80  #     2   709400.0  e   1       8723
         HN     35 PHE  HN      4.50  #     3   189900.0  e   1       7178
         HN     35 PHE  HB2     5.30  #     3    70770.0  e   1       6554
         HN     36 LEU  HN      5.30  #     3    64580.0  e   1       9492
         HA     33 THR  QG2     4.10  #     1M 2052000.0  e   1       8204
         HA     34 LYS+ HN      4.20  #     2   360900.0  e   1       7872
         HA     35 PHE  HN      4.40  #     3   198300.0  e   1       8220
         HA     36 LEU  HN      4.50  #     3   186200.0  e   1       7207
         HA     36 LEU  HG      3.90  #     5   667100.0  e   1       6729
         HA     36 LEU  QD1     4.60 <#     5M 1124000.0  e   1       6558
         HA     36 LEU  QD2     5.40 >#     5M  400900.0  e   1       9435
         HB     33 THR  QG2     4.30  #     1M 1461000.0  e   1       8203
         HB     34 LYS+ HN      3.50  #     2  1132000.0  e   1       5347
         QG2    34 LYS+ HN      5.40  #     5M  392300.0  e   1       7823
         QG2    34 LYS+ HA      6.40  #     5M  154000.0  e   1       9007
         QG2    34 LYS+ HB3     5.40  #     5M  408900.0  e   1       9008
         QG2    35 PHE  HN      7.00  #   w 5M   32590.0  e   1       9002
 34 LYS+ 
         HN     34 LYS+ HA      3.70  #     2   854000.0  e   1       5346
         HN     34 LYS+ HB2     3.40 <#     2  1407000.0  e   1       5349
         HN     34 LYS+ HB3     3.90 >#     2   539300.0  e   1       8207
         HN     34 LYS+ QG      5.00  # m   1   401550.0*2e   1       7874
         HN     34 LYS+ QD      4.90  # m   1   467450.0*2e   1       5348
         HN     35 PHE  HN      3.30  #     2  1481000.0  e   1       6524
         HN     35 PHE  HB2     5.10  #     2   112400.0  e   1       8725
         HN     36 LEU  HN      4.50  #     3   176600.0  e   1       7181
         HA     34 LYS+ HB2     3.80  #     2   679900.0  e   1       6033
         HA     34 LYS+ HB3     3.70  #     2   805800.0  e   1       8208
         HA     34 LYS+ QG      4.50  # i   1   472100.0*2e   1       9010
         HA     34 LYS+ QD      4.60  # m   1   819500.0*2e   1       6030
         HA     35 PHE  HN      3.90  #     2   585700.0  e   1       8205
         HA     36 LEU  HN      4.80  #     3   123400.0  e   1       8823
         HB2    34 LYS+ QG      4.30  # m   1  1287500.0*2e   1       9012
         HB2    34 LYS+ QD      5.10  # m   1   367650.0*2e   1       6032
         HB2    35 PHE  HN      4.10  #     2   450300.0  e   1       9437
         HB2    74 PHE  QE      7.00  # r   5   147800.0*2e   1       9004
         HB3    34 LYS+ QG      4.60  # m   1   801500.0*2e   1       9013
         HB3    34 LYS+ QD      5.20  # m   1   311750.0*2e   1       8209
         HB3    35 PHE  HN      4.60  #     2   202700.0  e   1       9291
         QG     34 LYS+ QD      5.70  # mm  1   643750.0*4e   1       9011
         QG     35 PHE  HN      6.30  # m   5   103550.0*2e   1       9438
         QD     35 PHE  HN      6.50  # m   5    86600.0*2e   1       7275
         QD     74 PHE  QE      9.00  # mrw 5    17980.0*4e   1       9005
 35 PHE  
         HN     35 PHE  HA      3.40  #     2  1274000.0  e   1       5092
         HN     35 PHE  HB2     3.40  #     2  1327000.0  e   1       7026
         HN     35 PHE  HB3     3.40  #     2  1445000.0  e   1       6725
         HN     35 PHE  QD      6.50  # r   1   205100.0*2e   1       5093
         HN     36 LEU  HN      3.20  #     2  2071000.0  e   1       5091
         HN     36 LEU  HA      5.10  #     2   107600.0  e   1       9419
         HN     36 LEU  HB2     5.20  #     2   103200.0  e   1       9252
         HN     36 LEU  HG      4.60  #     5   247100.0  e   1       8731
         HN     36 LEU  QD1     7.00  #   w 5M   37160.0  e   1       8729
         HN     36 LEU  QD2     7.00  #   w 5M   25120.0  e   1       8730
         HN     37 GLU- HN      4.70  #     3   135300.0  e   1       9577
         HN     74 PHE  QD      8.00  # r w 5    46250.0*2e   1       9021
         HN     74 PHE  QE      8.00  # r w 5    33080.0*2e   1       9254
         HA     35 PHE  HB2     3.20  #     2  1854000.0  e   1       6037
         HA     35 PHE  HB3     3.50  #     2  1135000.0  e   1       6040
         HA     35 PHE  QD      4.30  # m   1  1312000.0*2e   1       5111
         HA     36 LEU  HN      4.10  #     2   425200.0  e   1       5120
         HA     37 GLU- HN      4.60  #     3   169100.0  e   1       7182
         HA     38 GLU- HN      3.70  #     3   636200.0  e   1       7185
         HA     38 GLU- HB2     3.80  #     3   546800.0  e   1       9411
         HA     38 GLU- HB3     4.10  #     3   304500.0  e   1       9015
         HA     38 GLU- HG2     5.10 >#     5   135000.0  e   1       9433
         HA     38 GLU- HG3     4.20 <#     5   404600.0  e   1       9434
         HA     39 HIS  HN      4.40  #     3   201400.0  e   1       8738
         HA     74 PHE  QE      7.50  # r   5    85500.0*2e   1       8214
         HA     74 PHE  HZ      4.20  #     5   428800.0  e   1       8213
         HB2    35 PHE  QD      5.50  # r   1   993500.0*2e   1       5110
         HB2    36 LEU  HN      4.20  #     2   345000.0  e   1       8211
         HB2    74 PHE  QD      7.20  # r   5   118950.0*2e   1       7399
         HB2    74 PHE  QE      6.30  # r   5   365600.0*2e   1       7393
         HB2    74 PHE  HZ      3.90  #     5   636800.0  e   1       7404
         HB3    35 PHE  QD      5.70  # r   1   683000.0*2e   1       6041
         HB3    36 LEU  HN      4.20  #     2   392200.0  e   1       8210
         HB3    74 PHE  QE      6.90  # r   5   170750.0*2e   1       7395
         HB3    74 PHE  HZ      4.50  #     5   278400.0  e   1       7403
         QD     36 LEU  HN      8.00  # r w 5    40295.0*2e   1       8212
         QD     36 LEU  HG      7.00  # r   5   156300.0*2e   1       8736
         QD     37 GLU- HN      8.00  # r w 5    27345.0*2e   1       8734
         QD     38 GLU- HN      7.20  # r   5   121600.0*2e   1       7276
         QD     38 GLU- HA      8.00  # r   5    48780.0*2e   1       8223
         QD     38 GLU- HB2     6.20  # r   5   430750.0*2e   1       8222
         QD     38 GLU- HB3     6.70  # r   5   202950.0*2e   1       7029
         QD     38 GLU- HG2     6.50  # r   5   298000.0*2e   1       8224
         QD     38 GLU- HG3     6.10  # r   5   529000.0*2e   1       6547
         QD     74 PHE  QE      9.40  # rr  5    90475.0*4e   1       8988
         QD     74 PHE  HZ      5.90  # r   5   665500.0*2e   1       7408
         QD    117 LHEM QM1     7.60  # r   5M  337610.0*2e   2       7410
 36 LEU  
         HN     36 LEU  HA      3.60  #     2   989200.0  e   1       9413
         HN     36 LEU  HB2     3.30  #     2  1652000.0  e   1       5122
         HN     36 LEU  HB3     3.80  #     2   726800.0  e   1       5123
         HN     36 LEU  HG      3.00  #     1  2470000.0  r   1       5121
         HN     36 LEU  QD1     5.10  #     1M  490300.0  e   1       7027
         HN     36 LEU  QD2     5.10  #     1M  524600.0  e   1       5124
         HN     37 GLU- HN      3.70  #     2   815400.0  e   1       5374
         HN     37 GLU- QG      7.00  # m w 5    28185.0*2e   1       9424
         HA     36 LEU  HB2     3.80  #     2   626500.0  e   1       9417
         HA     36 LEU  HB3     3.60  #     2   959600.0  e   1       9414
         HA     36 LEU  HG      3.50  #     1   925400.0  e   1       9418
         HA     36 LEU  QD1     5.80 >#     1M  242600.0  e   1       9415
         HA     36 LEU  QD2     4.00 <#     1M 2210000.0  e   1       9416
         HA     37 GLU- HN      4.20  #     2   350900.0  e   1       9420
         HA     39 HIS  HN      4.00  #     3   355600.0  e   1       9491
         HA     43 GLU- HA      4.70  #     4   120000.0  e   1       9421
         HB2    36 LEU  HG      3.00  #     1  2217000.0  e   1       6049
         HB2    36 LEU  QD1     4.20  #     1M 1730000.0  e   1       6052
         HB2    36 LEU  QD2     4.90  #     1M  656900.0  e   1       6047
         HB2    37 GLU- HN      3.60  #     2   882000.0  e   1       9029
         HB2    43 GLU- HB2     4.50  #     5   265300.0  e   1       9422
         HB3    36 LEU  HG      3.50  #     1   939900.0  e   1       6057
         HB3    36 LEU  QD1     3.90  #     1M 2578000.0  e   1       6056
         HB3    36 LEU  QD2     4.80  #     1M  715600.0  e   1       6055
         HB3    37 GLU- HN      3.80  #     2   688500.0  e   1       5379
         HB3    37 GLU- HA      6.00  #     2    43300.0  e   1       9278
         HB3    43 GLU- HA      5.10  #     5   138400.0  e   1       8504
         HB3    43 GLU- HB2     3.90  #     5   652500.0  e   1       8453
         HB3    43 GLU- HB3     4.70  #     5   227300.0  e   1       9239
         HG     36 LEU  QD1     3.90  #     1M 2462000.0  e   1       6060
         HG     36 LEU  QD2     4.00  #     1M 2120000.0  e   1       6061
         QD1    37 GLU- HN      5.90  #     5M  244200.0  e   1       7180
         QD1    43 GLU- HA      7.00 >#   w 5M   63540.0  e   1       9333
         QD1    43 GLU- HB2     5.90  #     5M  252100.0  e   1       9025
         QD1    47 ARG+ QB      8.00  # m w 5M   28145.0*2e   1       9234
         QD1    47 ARG+ QD      8.00  # m w 5M   70200.0*2e   1       9235
         QD2    37 GLU- HN      6.70  #     5M  108900.0  e   1       8221
         QD2    38 GLU- HN      6.80  #     5M  105800.0  e   1       6552
         QD2    43 GLU- HN      7.00  #   w 5M   14690.0  e   1       9332
         QD2    43 GLU- HA      5.50 <#     5M  369100.0  e   1       8454
         QD2    43 GLU- HB2     5.30  #     5M  488600.0  e   1       9330
         QD2    43 GLU- HB3     6.10  #     5M  207100.0  e   1       9238
         QD2    46 LEU  HN      7.00  #   w 5M   76190.0  e   1       8449
         QD2    46 LEU  QB      6.70  # m   5M  293850.0*2e   1       9316
         QD2    46 LEU  HG      5.80  #     5M  267500.0  e   1       9317
         QD2    47 ARG+ HN      5.10  #     5M  609000.0  e   1       8618
         QD2    47 ARG+ HA      7.00  #     5M   83400.0  e   1       9237
         QD2    47 ARG+ QB      8.00  # m w 5M   63050.0*2e   1       9233
 37 GLU- 
         HN     37 GLU- HA      3.30  #     2  1526000.0  e   1       5157
         HN     37 GLU- HB2     3.40  #     2  1407000.0  e   1       5159
         HN     37 GLU- HB3     3.20  #     2  1754000.0  e   1       6073
         HN     37 GLU- QG      4.70  # m   1   712000.0*2e   1       5158
         HN     38 GLU- HN      3.30  #     2  1487000.0  e   1       5155
         HA     37 GLU- HB2     3.30  #     2  1669000.0  e   1       6075
         HA     37 GLU- HB3     3.40  #     2  1441000.0  e   1       6076
         HA     37 GLU- QG      4.40  # i   1   576500.0*2e   1       6074
         HA     38 GLU- HN      4.20  #     2   359300.0  e   1       9041
         HB2    37 GLU- QG      4.60  # m   1   789000.0*2e   1       6079
         HB2    38 GLU- HN      4.00  #     2   487000.0  e   1       6551
         HB3    37 GLU- QG      4.20  # m   1  1533000.0*2e   1       6077
         HB3    38 GLU- HN      4.20  #     2   391400.0  e   1       9265
         QG     38 GLU- HN      6.40  # m   5    94400.0*2e   1       9263
 38 GLU- 
         HN     38 GLU- HA      3.40  #     2  1325000.0  e   1       5163
         HN     38 GLU- HB2     3.30 <#     2  1718000.0  e   1       5164
         HN     38 GLU- HB3     3.90 >#     2   614700.0  e   1       5165
         HN     38 GLU- HG2     4.30  #     1   268300.0  e   1       8087
         HN     38 GLU- HG3     4.00  #     1   427500.0  e   1       5166
         HN     39 HIS  HN      4.20  #     2   345100.0  e   1       6873
         HN     39 HIS  HA      5.00  #     2   123200.0  e   1       8226
         HA     38 GLU- HB2     3.20  #     2  1810000.0  e   1       7755
         HA     38 GLU- HB3     3.20  #     2  1853000.0  e   1       7752
         HA     38 GLU- HG2     4.20  #     1   293100.0  e   1       8089
         HA     38 GLU- HG3     4.10  #     1   359000.0  e   1       8090
         HB2    39 HIS  HN      4.90  #     2   151900.0  e   1       9119
         HB3    39 HIS  HN      5.00  #     2   131000.0  e   1       9120
 39 HIS  
         HN     39 HIS  HA      3.40  #     2  1284000.0  e   1       6871
         HA     39 HIS  HB2     4.00  #     2   486500.0  e   1       6872
         HA     40 PRO  HB2     5.60  #     2    63710.0  e   1       9260
         HA     40 PRO  HB3     5.30  #     2    84930.0  e   1       9259
 40 PRO  
         HA     40 PRO  HB2     4.00  #     2   502500.0  e   1       7325
         HA     40 PRO  HB3     3.70  #     2   828600.0  e   1       9297
         HA     40 PRO  HG3     3.70  #     1   621800.0  e   1       7323
         HB2    40 PRO  HG2     4.10  #     1   350100.0  e   1       7756
         HB3    40 PRO  HG2     5.60  #     1    54950.0  e   1       7758
         HB3   117 LHEM HAP71   3.60  #     5  1176980.0  e   2       8644
         HG2   117 LHEM HAP71   3.90  #     5   658700.0  e   2       8656
         HG2   117 LHEM HBP74   3.00  #     5  3119200.0  e   2       8634
         HG2   117 LHEM QM8     5.00  #     5M  655760.0  e   2       8659
 41 GLY  
         HN     41 GLY  HA1     4.10  #     2   428300.0  e   1       9686
         HN     41 GLY  HA2     4.00  #     2   475600.0  e   1       9687
         HA1   117 LHEM HBM     4.70  #     5   211100.0  e   1       9688
 42 GLY  
         HN     42 GLY  HA1     3.60  #     2   981700.0  e   1       6138
         HN     42 GLY  HA2     3.70  #     2   769900.0  e   1       6139
         HN     43 GLU- HN      4.90  #     2   138000.0  e   1       6876
         HA1    43 GLU- HN      3.30  #     2  1619000.0  e   1       5054
         HA1    43 GLU- HA      4.80  #     2   157700.0  e   1       9761
         HA1    43 GLU- HB2     4.70  #     2   177700.0  e   1       9691
         HA1    43 GLU- HB3     5.90  #     2    44710.0  e   1       9692
         HA1    44 GLU- HN      4.50  #     3   184400.0  e   1       7213
         HA2    43 GLU- HN      3.40  #     2  1306000.0  e   1       5055
         HA2    43 GLU- HB2     5.30  #     2    87760.0  e   1       9690
         HA2    44 GLU- HN      4.30  #     3   222700.0  e   1       5066
 43 GLU- 
         HN     43 GLU- HA      3.70  #     2   831200.0  e   1       5061
         HN     43 GLU- HB2     3.40  #     2  1383000.0  e   1       5062
         HN     43 GLU- HB3     3.60  #     2   863300.0  e   1       5063
         HN     44 GLU- HN      3.50  #     2  1063000.0  e   1       7215
         HN     44 GLU- HA      5.40  #     2    83490.0  e   1       9696
         HN     44 GLU- HB2     5.20  #     2   100100.0  e   1       9695
         HN     44 GLU- QG      7.00  # m w 5    16560.0*2e   1       9282
         HN     45 VAL  HN      5.90  #     3    34460.0  e   1       8825
         HA     43 GLU- HB2     3.60  #     2   896100.0  e   1       6142
         HA     43 GLU- HB3     3.40  #     2  1305000.0  e   1       6147
         HA     44 GLU- HN      4.30  #     2   315900.0  e   1       5067
         HA     45 VAL  HN      6.00  #     3    33290.0  e   1       7218
         HA     46 LEU  HN      4.10  #     3   300100.0  e   1       7172
         HA     46 LEU  QB      5.60  # m   3   153800.0*2e   1       6810
         HA     46 LEU  HG      5.10  #     5   129400.0  e   1       8445
         HA     47 ARG+ HN      5.00  #     3    92640.0  e   1       7165
         HB2    44 GLU- HN      3.90  #     2   604400.0  e   1       7168
         HB2    47 ARG+ QB      6.20  # m   5   116800.0*2e   1       8860
         HB3    44 GLU- HN      4.10  #     2   436900.0  e   1       7167
 44 GLU- 
         HN     44 GLU- HA      3.40  #     2  1230000.0  e   1       5068
         HN     44 GLU- HB2     3.10  #     2  2346000.0  e   1       5070
         HN     44 GLU- HB3     3.50  #     2  1069000.0  e   1       6154
         HN     44 GLU- QG      4.70  # m   1   615000.0*2e   1       8846
         HN     45 VAL  HN      3.60  #     2   898200.0  e   1       6795
         HN     45 VAL  HA      6.00  #   w 2     1782.0  e   1       8946
         HN     46 LEU  HN      5.30  #     3    65080.0  e   1       7223
         HN     47 ARG+ HN      5.90  #     3    33500.0  e   1       8796
         HN     47 ARG+ QB      7.00  # m w 3    23020.0*2e   1       8833
         HA     44 GLU- HB2     3.30  #     2  1625000.0  e   1       6156
         HA     44 GLU- HB3     3.30  #     2  1666000.0  e   1       6155
         HA     44 GLU- QG      4.20  # i   1   782000.0*2e   1       8843
         HA     45 VAL  HN      4.30  #     2   323500.0  e   1       8451
         HA     46 LEU  HN      4.60  #     3   159300.0  e   1       7166
         HA     47 ARG+ HN      3.70  #     3   618900.0  e   1       7171
         HA     47 ARG+ QB      4.50  # m   3   890000.0*2e   1       6804
         HA     47 ARG+ QD      7.00  # m w 5    15870.0*2e   1       6611
         HA     48 ALA  HN      4.30  #     3   240100.0  e   1       7225
         HB2    44 GLU- QG      3.70 <# m   1  4619000.0*2e   1       8847
         HB2    45 VAL  HN      3.90  #     2   553200.0  e   1       6794
         HB3    44 GLU- QG      4.20 ># m   1  1725500.0*2e   1       8845
         HB3    45 VAL  HN      3.80  #     2   705600.0  e   1       6619
         HB3    47 ARG+ HN      5.60  #     3    48980.0  e   1       8986
         HB3    47 ARG+ QB      7.00  # m w 5    11420.0*2e   1       6805
         QG     45 VAL  HN      5.30  # m   5   357000.0*2e   1       9149
         QG     47 ARG+ HN      7.00  # m w 5    37545.0*2e   1       8987
         QG     47 ARG+ QB      6.90  # mm  5   173000.0*4e   1       9335
 45 VAL  
         HN     45 VAL  HA      3.40  #     2  1240000.0  e   1       5074
         HN     45 VAL  HB      3.60  #     2   994600.0  e   1       5075
         HN     45 VAL  QG1     4.80  #     1M  752200.0  e   1       5077
         HN     45 VAL  QG2     4.40  #     1M 1257000.0  e   1       5076
         HN     46 LEU  HN      3.60  #     2   868900.0  e   1       5073
         HN     47 ARG+ HN      4.80  #     3   121000.0  e   1       7230
         HN     48 ALA  HN      6.00  #   w 3     5845.0  e   1       8790
         HN     48 ALA  QB      6.00  #     3M   50450.0  e   1       8837
         HA     45 VAL  HB      3.10  #     2  2335000.0  e   1       6165
         HA     45 VAL  QG1     4.60  #     1M  959800.0  e   1       6170
         HA     45 VAL  QG2     4.40  #     1M 1232000.0  e   1       6161
         HA     46 LEU  HN      4.30  #     2   311400.0  e   1       6615
         HA     47 ARG+ HN      5.00  #     3    98100.0  e   1       8800
         HA     48 ALA  HN      4.10  #     3   341600.0  e   1       8797
         HA     48 ALA  QB      3.60  #     3M 1274000.0  e   1       8851
         HA     49 GLN  HN      5.00  #     3   100300.0  e   1       8838
         HB     45 VAL  QG1     4.60  #     1M  942200.0  e   1       6163
         HB     45 VAL  QG2     4.30  #     1M 1469000.0  e   1       6164
         HB     46 LEU  HN      5.00  #     2   132600.0  e   1       8835
         QG1    46 LEU  HN      5.80  #     5M  268200.0  e   1       6616
         QG1   117 LHEM QM5     4.20  #     5M 1849400.0  e   2       8683
         QG2    46 LEU  HN      5.60  #     5M  317100.0  e   1       6993
         QG2   117 LHEM QM5     4.80  #     5M  881020.0  e   2       8684
 46 LEU  
         HN     46 LEU  HA      3.80  #     2   717800.0  e   1       5087
         HN     46 LEU  QB      4.20  # i   2   987500.0*2e   1       5429
         HN     46 LEU  HG      3.80  #     1   608400.0  e   1       5430
         HN     47 ARG+ HN      3.20  #     2  1989000.0  e   1       5432
         HN     47 ARG+ HA      6.00  #   w 2    28640.0  e   1       8853
         HN     47 ARG+ QB      5.90  # m   2   139000.0*2e   1       7232
         HN     48 ALA  HN      4.60  #     3   152700.0  e   1       7957
         HN     48 ALA  QB      6.60  #     3M   30980.0  e   1       9323
         HN     49 GLN  HN      6.00  #   w 3    17490.0  e   1       8535
         HA     46 LEU  QB      4.40  # m   2  1386500.0*2e   1       6174
         HA     46 LEU  HG      3.50  #     1   855000.0  e   1       6175
         HA     47 ARG+ HN      4.30  #     2   340500.0  e   1       7231
         HA     49 GLN  HN      4.30  #     3   237000.0  e   1       7170
         HA     49 GLN  HB2     4.80  #     3   121800.0  e   1       8795
         HA    117 LHEM QM3     4.90  #     5M  777560.0  e   2       8629
         QB     46 LEU  HG      4.30  # m   1  1334000.0*2e   1       6178
         QB     47 ARG+ HN      4.70  # m   2   846500.0*2e   1       6815
         QB     48 ALA  HN      6.40  # m   3    62500.0*2e   1       8801
         QB    117 LHEM HAM     5.50  # m   5   290290.0*2e   2       8651
         QB    117 LHEM QM3     6.30  # m   5M  471030.0*2e   2       8620
         HG     47 ARG+ HN      4.30  #     5   365000.0  e   1       8442
         HG    117 LHEM QM3     4.70  #     5M  910000.0  e   2       8626
 47 ARG+ 
         HN     47 ARG+ HA      3.20  #     2  1799000.0  e   1       7124
         HN     47 ARG+ QB      4.00  # i   2  1376500.0*2e   1       6184
         HN     47 ARG+ QG      5.00  # m   1   430950.0*2e   1       6185
         HN     47 ARG+ QD      6.10  # m   1    99950.0*2e   1       7220
         HN     48 ALA  HN      3.20  #     2  1751000.0  e   1       6480
         HN     49 GLN  HN      5.30  #     3    70470.0  e   1       8545
         HN     50 ALA  QB      7.00  #   w 3M   12920.0  e   1       8840
         HA     47 ARG+ QB      4.10  # i   2  1114000.0*2e   1       6816
         HA     47 ARG+ QG      4.60  # i   1   440400.0*2e   1       6187
         HA     47 ARG+ QD      6.00  # m   1   108000.0*2e   1       6182
         HA     48 ALA  HN      4.00  #     2   483200.0  e   1       9042
         HA     49 GLN  HN      4.60  #     3   162400.0  e   1       8439
         HA     50 ALA  HN      3.80  #     3   487300.0  e   1       8421
         HA     50 ALA  QB      3.70  #     3M  966000.0  e   1       8423
         QB     47 ARG+ QG      5.30  # mm  1  1292250.0*4e   1       7128
         QB     47 ARG+ QD      5.70  # mm  1   641750.0*4e   1       6180
         QB     48 ALA  HN      4.60  # m   2   873500.0*2e   1       6375
         QB     50 ALA  HN      7.00  # m w 3     9230.0*2e   1       8839
         QG     47 ARG+ QD      6.20  # mm  1   311250.0*4e   1       7127
         QG     48 ALA  HN      6.00  # m   5   149900.0*2e   1       8437
         QD     48 ALA  HN      5.20  # m   5   422300.0*2e   1       7958
 48 ALA  
         HN     48 ALA  HA      3.40  #     2  1362000.0  e   1       6192
         HN     48 ALA  QB      3.50  #   s 2M 3727000.0  e   1       5439
         HN     49 GLN  HN      3.40  #     2  1283000.0  e   1       6191
         HN     49 GLN  HG2     4.70  #     5   224600.0  e   1       8981
         HN     50 ALA  HN      4.60  #     3   166500.0  e   1       6818
         HN     50 ALA  QB      6.00  #     3M   54810.0  e   1       8436
         HA     48 ALA  QB      3.50  #   s 2M 2146000.0  e   1       6193
         HA     49 GLN  HN      3.90  #     2   572700.0  e   1       8433
         HA     50 ALA  HN      5.30  #     3    65780.0  e   1       8432
         QB     49 GLN  HN      3.70  #     2M 1125000.0  e   1       9043
         QB     49 GLN  HA      6.00  #     2M   54140.0  e   1       9044
         QB     49 GLN  QE2     7.80  # m   5M  105550.0*2e   1       9324
         QB     50 ALA  HN      5.20  #     3M  132300.0  e   1       9325
 49 GLN  
         HN     49 GLN  HA      3.60  #     2   881100.0  e   1       5445
         HN     49 GLN  HB2     3.40  #     2  1245000.0  e   1       5448
         HN     49 GLN  HB3     3.80  #     2   627700.0  e   1       5449
         HN     49 GLN  HG2     3.40 <#     1  1196000.0  e   1       5447
         HN     49 GLN  HG3     3.90 >#     1   465800.0  e   1       5446
         HN     50 ALA  HN      3.00  #     2  2851000.0  e   1       5443
         HN     50 ALA  HA      5.20  #     2    99150.0  e   1       7169
         HN     50 ALA  QB      4.80  #     2M  212100.0  e   1       6839
         HN     54 ALA  QB      7.00  #   w 5M   80290.0  e   1       9127
         HA     49 GLN  HB2     3.70  #     2   802600.0  e   1       6845
         HA     49 GLN  HB3     4.00  #     2   474600.0  e   1       8231
         HA     49 GLN  HG2     3.70  #     1   693600.0  e   1       8230
         HA     49 GLN  HG3     3.80  #     1   549400.0  e   1       6826
         HA     49 GLN  QE2     6.20  # i   1    52100.0*2e   1       9322
         HA     50 ALA  HN      3.90  #     2   595500.0  e   1       5453
         HA     50 ALA  QB      6.10  #     2M   50930.0  e   1       6841
         HB2    49 GLN  HG2     3.50  #     1   908600.0  e   1       7761
         HB2    49 GLN  HG3     2.90  #     1  2799000.0  e   1       6848
         HB2    49 GLN  QE2     6.70  # m   1    48880.0*2e   1       9318
         HB2    50 ALA  HN      4.50  #     2   232100.0  e   1       7821
         HB2    50 ALA  QB      7.00  #   w 5M   27710.0  e   1       6847
         HB2    54 ALA  QB      5.40  #     5M  399600.0  e   1       9123
         HB3    49 GLN  HG2     3.80  #     1   585600.0  e   1       8232
         HB3    49 GLN  HG3     3.30  #     1  1268000.0  e   1       9045
         HB3    49 GLN  QE2     6.20  # m   1    79750.0*2e   1       9319
         HB3    54 ALA  QB      5.20  #     5M  524500.0  e   1       9124
         HG2    49 GLN  QE2     5.40 <# m   1   233200.0*2e   1       9321
         HG2    50 ALA  HN      4.90  #     5   170400.0  e   1       7819
         HG2    54 ALA  QB      6.40 >#     5M  146700.0  e   1       9126
         HG3    49 GLN  QE2     6.10 ># m   1    92400.0*2e   1       9320
         HG3    50 ALA  HN      5.50  #     5    86180.0  e   1       7820
         HG3    54 ALA  QB      4.90 <#     5M  720300.0  e   1       9125
 50 ALA  
         HN     50 ALA  HA      3.60  #     2  1011000.0  e   1       5452
         HN     50 ALA  QB      3.50  #   s 2M 2945000.0  e   1       5451
         HN     51 GLY  HN      4.80  #     2   162500.0  e   1       7674
         HA     50 ALA  QB      3.50  #   s 2M 3029000.0  e   1       6307
         HA     51 GLY  HN      2.80  #     2  4204000.0  e   1       6858
         HA     52 GLY  HN      3.70  #     3   557600.0  e   1       8429
         QB     51 GLY  HN      3.60  #     2M 1173000.0  e   1       5083
         QB     52 GLY  HN      5.50  #     3M   85010.0  e   1       7841
 51 GLY  
         HN     51 GLY  HA1     3.50  #     2  1130000.0  e   1       6314
         HN     51 GLY  HA2     3.70  #     2   806200.0  e   1       5081
         HN     52 GLY  HN      3.40  #     2  1270000.0  e   1       6859
         HA2    52 GLY  HN      4.20  #     2   351200.0  e   1       6860
 52 GLY  
         HN     52 GLY  HA1     3.50  #     2  1204000.0  e   1       5471
         HN     52 GLY  HA2     3.20  #     2  1924000.0  e   1       5470
         HN     53 ASP- HN      5.10  #     2   117900.0  e   1       8938
         HA1    53 ASP- HN      3.30  #     2  1628000.0  e   1       9292
         HA2    53 ASP- HN      3.20  #     2  2074000.0  e   1       8127
 53 ASP- 
         HN     53 ASP- HA      4.00  #     2   491600.0  e   1       9666
         HN     53 ASP- HB2     3.30  #     2  1672000.0  e   1       7575
         HN     53 ASP- HB3     3.50  #     2  1109000.0  e   1       8124
         HA     54 ALA  HN      3.70  #     2   800000.0  e   1       9200
         HB3    54 ALA  HN      4.20  #     2   381000.0  e   1       9197
 54 ALA  
         HN     54 ALA  HA      3.60  #     2   970000.0  e   1       7176
         HN     54 ALA  QB      3.50  #   s 2M 1800000.0  e   1       7177
         HN     55 THR  HN      3.70  #     2   776900.0  e   1       7175
         HN     55 THR  HA      5.70  #     2    55920.0  e   1       8695
         HN     55 THR  HB      5.00  #     2   133800.0  e   1       9201
         HN     55 THR  QG2     7.00  #   w 5M   72090.0  e   1       8623
         HN     56 ALA  HN      5.80  #     3    39210.0  e   1       9202
         HA     54 ALA  QB      3.50  #   s 2M 2911000.0  e   1       6327
         HA     55 THR  HN      3.90  #     2   538800.0  e   1       6322
         HA     56 ALA  HN      4.60  #     3   155600.0  e   1       7239
         HA     57 ASN  HN      4.10  #     3   312700.0  e   1       7240
         HA     57 ASN  HB2     3.50  #     3   840100.0  e   1       7242
         HA     57 ASN  HD21    6.00  #     5    49450.0  e   1       8710
         HA     57 ASN  HD22    6.00  #   w 5    24940.0  e   1       9372
         HA     58 PHE  HN      4.60  #     3   167300.0  e   1       8699
         QB     55 THR  HN      5.00  #     2M  177800.0  e   1       6323
         QB     55 THR  HA      5.30  #     2M  114900.0  e   1       8697
         QB     56 ALA  HN      7.00  #   w 3M    3045.0  e   1       8604
         QB     57 ASN  HN      5.20  #     3M  131600.0  e   1       7661
         QB     57 ASN  HB2     4.20  #     5M 1858000.0  e   1       7241
         QB     57 ASN  HD21    7.00  #   w 5M   52870.0  e   1       8700
         QB     58 PHE  HN      4.40  #     3M  331100.0  e   1       8698
         QB    117 LHEM QM3     4.00  #     5M 2660000.0  e   2       8653
 55 THR  
         HN     55 THR  HA      3.60  #     2   970600.0  e   1       6592
         HN     55 THR  HB      3.10  #     2  2467000.0  e   1       5476
         HN     55 THR  QG2     5.40  #     1M  362300.0  e   1       5475
         HN     56 ALA  HN      3.90  #     2   571000.0  e   1       8708
         HN     57 ASN  HN      5.40  #     3    57690.0  e   1       8971
         HN     57 ASN  HD21    5.40  #     5    90650.0  e   1       8705
         HA     55 THR  HB      4.30  #     2   326700.0  e   1       8241
         HA     55 THR  QG2     4.00  #     1M 2330000.0  e   1       6594
         HA     56 ALA  HN      4.50  #     2   250300.0  e   1       8468
         HA     57 ASN  HN      5.80  #     3    38300.0  e   1       8703
         HA     58 PHE  HN      3.90  #     3   413700.0  e   1       7246
         HA     59 GLU- HN      5.20  #     3    72080.0  e   1       8942
         HB     55 THR  QG2     3.80  #     1M 3067000.0  e   1       6593
         HB     56 ALA  HN      3.20  #     2  2052000.0  e   1       5473
         HB     56 ALA  QB      6.70  #     5M  111000.0  e   1       9203
         HB     57 ASN  HN      5.50  #     3    51990.0  e   1       8704
         QG2    56 ALA  HN      5.30  #     5M  476000.0  e   1       5474
         QG2    56 ALA  HA      5.40  #     5M  421700.0  e   1       7245
         QG2    56 ALA  QB      6.50  # m   5M  364000.0  e   1       8472
         QG2    57 ASN  HN      7.00  #   w 5M   31390.0  e   1       8706
         QG2    59 GLU- HN      7.00  #     5M   83680.0  e   1       7658
         QG2    59 GLU- HB2     7.00  #   w 5M   69330.0  e   1       9128
         QG2    59 GLU- HB3     7.00  #   w 5M   41300.0  e   1       9129
         QG2    59 GLU- HG3     4.70  #     5M 1016000.0  e   1       8944
 56 ALA  
         HN     56 ALA  HA      3.50  #     2  1192000.0  e   1       5472
         HN     56 ALA  QB      3.50  #   s 2M 3125000.0  e   1        223
         HN     57 ASN  HN      3.40  #     2  1267000.0  e   1       5320
         HN     58 PHE  HN      4.90  #     3   113000.0  e   1       9205
         HA     56 ALA  QB      3.50  #   s 2M 1388000.0  e   1       6332
         HA     57 ASN  HN      4.10  #     2   418700.0  e   1       8466
         HA     58 PHE  HN      4.80  #     3   118100.0  e   1       9206
         HA     59 GLU- HN      3.70  #     3   566400.0  e   1       7251
         HA     59 GLU- HB2     4.60 >#     3   149800.0  e   1       9209
         HA     59 GLU- HB3     3.50 <#     3   862200.0  e   1       9207
         HA     60 ALA  HN      5.00  #     3    98060.0  e   1       8715
         QB     57 ASN  HN      3.50  #   s 2M 1738000.0  e   1       7249
         QB     57 ASN  HD21    7.00  #   w 5M   33980.0  e   1       8709
         QB     59 GLU- HN      7.00  #   w 3M    6537.0  e   1       8970
         QB     60 ALA  HN      6.00  #     3M   52010.0  e   1       8716
 57 ASN  
         HN     57 ASN  HA      3.40  #     2  1415000.0  e   1       5323
         HN     57 ASN  HB2     3.10  #     2  2203000.0  e   1       5530
         HN     57 ASN  HB3     3.60  #     2   994700.0  e   1       5324
         HN     57 ASN  HD21    4.70 <#     1   159400.0  e   1       8242
         HN     57 ASN  HD22    6.00 >#   w 1    21400.0  e   1       8961
         HN     58 PHE  HN      3.30  #     2  1598000.0  e   1       6983
         HN     59 GLU- HN      4.90  #     3   106100.0  e   1       7256
         HN     60 ALA  HN      5.90  #     3    33510.0  e   1       8969
         HN     60 ALA  QB      6.10  #     3M   48950.0  e   1       8968
         HA     57 ASN  HB2     4.10 >#     2   450000.0  e   1       6340
         HA     57 ASN  HB3     3.50 <#     2  1141000.0  e   1       7132
         HA     57 ASN  HD21    4.40 <#     1   221700.0  e   1       6337
         HA     57 ASN  HD22    5.20 >#     1    81510.0  e   1       8474
         HA     58 PHE  HN      4.10  #     2   402000.0  e   1       7254
         HA     59 GLU- HN      6.00  #   w 3    22690.0  e   1       8966
         HA     60 ALA  HN      4.30  #     3   239700.0  e   1       7033
         HA     60 ALA  QB      4.60  #     3M  280900.0  e   1       9211
         HB2    57 ASN  HD21    3.40  #     1  1152000.0  e   1       6339
         HB2    57 ASN  HD22    4.60  #     1   171700.0  e   1       8476
         HB2    58 PHE  HN      3.80  #     2   693600.0  e   1       7252
         HB3    57 ASN  HD21    4.00  #     1   392200.0  e   1       6343
         HB3    57 ASN  HD22    4.70  #     1   161300.0  e   1       8475
         HB3    58 PHE  HN      4.20  #     2   347500.0  e   1       7253
 58 PHE  
         HN     58 PHE  QB      4.30  # i   2   745500.0*2e   1       6600
         HN     58 PHE  QD      7.20  # r   1    85000.0*2e   1       9752
         HN     59 GLU- HN      3.40  #     2  1338000.0  e   1       6758
         HN     59 GLU- HB3     5.50  #     2    75200.0  e   1       9215
         HN     59 GLU- HG2     5.30 >#     5   100100.0  e   1       9487
         HN     59 GLU- HG3     4.10 <#     5   518500.0  e   1       7747
         HN     60 ALA  HN      4.60  #     3   168400.0  e   1       9756
         QB     59 GLU- HN      4.80  # m   2   699500.0*2e   1       9753
         QB     60 ALA  HN      6.90  # m   3    36745.0*2e   1       9213
         QD     58 PHE  QE      8.50  # rr  1   210150.0*4e   1       7439
         QD     58 PHE  HZ      6.70  # r   1   153650.0*2e   1       8478
         QE     58 PHE  HZ      5.80  # r   1   587000.0*2e   1       5565
         HZ     68 ARG+ HB3     4.40  #     5   338700.0  e   1       9603
 59 GLU- 
         HN     59 GLU- HA      4.80  #     2   168400.0  e   1       6349
         HN     59 GLU- HB2     3.80  #     2   677600.0  e   1       5537
         HN     59 GLU- HB3     3.40  #     2  1303000.0  e   1       5538
         HN     59 GLU- HG2     3.80  #     1   567600.0  e   1       6351
         HN     59 GLU- HG3     3.40  #     1  1116000.0  e   1       5536
         HN     60 ALA  HN      3.40  #     2  1446000.0  e   1       7768
         HN     60 ALA  QB      5.10  #     2M  159700.0  e   1       9309
         HN     61 VAL  HN      4.50  #     3   181400.0  e   1       9216
         HA     59 GLU- HB2     3.40  #     2  1446000.0  e   1       6366
         HA     59 GLU- HB3     3.70  #     2   790900.0  e   1       6365
         HA     59 GLU- HG2     4.00  #     1   414000.0  e   1       6355
         HA     59 GLU- HG3     4.20  #     1   309900.0  e   1       6368
         HA     60 ALA  HN      4.20  #     2   362200.0  e   1       7258
         HA     61 VAL  HN      4.60  #     3   167700.0  e   1       7644
         HA     62 GLY  HN      4.90  #     3   114900.0  e   1       7642
         HB2    59 GLU- HG2     4.00  #     1   391200.0  e   1       6371
         HB2    59 GLU- HG3     3.80  #     1   605600.0  e   1       6370
         HB2    60 ALA  HN      3.90  #     2   560000.0  e   1       7653
         HB3    59 GLU- HG2     3.60  #     1   744900.0  e   1       6359
         HB3    59 GLU- HG3     3.60  #     1   835800.0  e   1       6358
         HB3    60 ALA  HN      3.40  #     2  1253000.0  e   1       7652
         HG2    60 ALA  HN      6.00  #   w 5        0.0  e   1       7650
         HG3    60 ALA  HN      4.30  #     5   353900.0  e   1       7651
 60 ALA  
         HN     60 ALA  HA      3.40  #     2  1237000.0  e   1       5329
         HN     60 ALA  QB      3.50  #   s 2M 2830000.0  e   1       6290
         HN     61 VAL  HN      3.30  #     2  1607000.0  e   1       6637
         HA     60 ALA  QB      3.50  #   s 2M 4660000.0  e   1       6293
         HA     61 VAL  HN      3.90  #     2   613400.0  e   1       8479
         QB     61 VAL  HN      3.70  #     2M  987200.0  e   1       7767
         QB     61 VAL  HA      5.10  #     2M  151000.0  e   1       7769
         QB     62 GLY  HN      5.70  #     3M   68850.0  e   1       9214
 61 VAL  
         HN     61 VAL  HA      3.30  #     2  1580000.0  e   1       5464
         HN     62 GLY  HN      3.50  #     2  1114000.0  e   1       7643
         HN     62 GLY  HA1     5.10  #     2   107500.0  e   1       9762
         HA     62 GLY  HN      3.90  #     2   560700.0  e   1       9218
         HA    117 LHEM HBP63   4.70  #     5   214800.0  e   1       9689
 62 GLY  
         HN     62 GLY  HA1     3.40  #     2  1297000.0  e   1       7265
         HN     62 GLY  HA2     3.70  #     2   798000.0  e   1       5466
         HN     63 HIS  HN      4.40  #     2   275400.0  e   1       9585
         HA1    63 HIS  HN      5.80  #     2    54220.0  e   1       9586
 63 HIS  
         HN     63 HIS  HA      6.00  #   w 2        0.0  e   1       9677
         HN     63 HIS  HB2     3.70  #     2   850500.0  e   2       6297
         HA     64 SER  HN      3.60  #     2   872060.0  e   2       7152
 64 SER  
         HN     64 SER  HA      4.70  #     2   187300.0  e   1       1212
         HN     64 SER  HB2     5.00 >#     2   132400.0  e   1       7149
         HN     64 SER  HB3     3.70 <#     2   816620.0  e   2       6905
         HN     65 THR  HN      5.10  #     2   115600.0  e   1       8407
         HN     66 ASP- HN      5.60  #     3    48650.0  e   1       8408
         HN     67 ALA  HN      5.30  #     3    63960.0  e   1       7260
         HA     64 SER  HB2     4.10  #     2   404400.0  e   1       7133
         HA     64 SER  HB3     3.90  #     2   560500.0  e   1       6906
         HA     65 THR  HN      3.30  #     2  1712000.0  e   1       5000
         HA     66 ASP- HN      4.10  #     3   331700.0  e   1       8409
         HA     67 ALA  HN      4.40  #     3   204700.0  e   1       7659
         HA     68 ARG+ HN      6.00  #     3    32220.0  e   1       7263
         HB2    65 THR  HN      3.60  #     2   959700.0  e   1       8406
         HB2    66 ASP- HN      3.90  #     3   421600.0  e   1       8410
         HB3    65 THR  HN      4.00  #     2   470700.0  e   1       8405
         HB3    66 ASP- HN      4.30  #     3   249300.0  e   1       8411
 65 THR  
         HN     65 THR  HA      4.60  #     2   217600.0  e   1       5568
         HN     65 THR  HB      3.80  #     2   663000.0  e   1       7031
         HN     66 ASP- HN      3.80  #     2   695300.0  e   1       8751
         HN     67 ALA  HN      5.00  #     3    96310.0  e   1       8805
         HA     65 THR  HB      3.70  #     2   816200.0  e   1       7135
         HA     66 ASP- HN      3.50  #     2  1034000.0  e   1       7164
         HA     67 ALA  HN      4.50  #     3   174100.0  e   1       8804
         HA     68 ARG+ HN      3.50  #     3   835300.0  e   1       8798
         HA     68 ARG+ HB2     3.40  #     3  1033000.0  e   1       9195
         HA     68 ARG+ HB3     3.70  #     3   586000.0  e   1       9193
         HA     68 ARG+ HG2     6.00 >#   w 5    23490.0  e   1       9191
         HA     68 ARG+ HG3     5.30 <#     5    99470.0  e   1       9194
         HA     68 ARG+ HD2     5.70  #     5    68170.0  e   1       9192
         HA     69 GLU- HN      4.10  #     3   328200.0  e   1       7163
         HB     66 ASP- HN      4.30  #     2   309800.0  e   1       8284
         HB     67 ALA  HN      6.00  #   w 3    17020.0  e   1       9220
         HB     68 ARG+ HN      6.00  #   w 3    27030.0  e   1       8806
 66 ASP- 
         HN     66 ASP- HA      3.90  #     2   569400.0  e   1       5496
         HN     66 ASP- HB2     3.30  #     2  1597000.0  e   1       5495
         HN     66 ASP- HB3     3.80  #     2   721800.0  e   1       5494
         HN     67 ALA  HN      3.50  #     2  1070000.0  e   1       8750
         HN     69 GLU- HN      4.60  #     3   157200.0  e   1       8862
         HA     66 ASP- HB2     3.90 >#     2   608800.0  e   1       7159
         HA     66 ASP- HB3     3.30 <#     2  1715000.0  e   1       7156
         HA     67 ALA  HN      4.20  #     2   358900.0  e   1       8807
         HA     68 ARG+ HN      5.50  #     3    53140.0  e   1       8810
         HA     69 GLU- HN      4.40  #     3   205100.0  e   1       8799
         HA     69 GLU- HB2     3.50  #     3   883400.0  e   1       7924
         HA     69 GLU- HB3     3.70  #     3   574900.0  e   1       7925
         HA     70 LEU  HN      4.50  #     3   181500.0  e   1       8811
         HB2    67 ALA  HN      3.50  #     2  1065000.0  e   1       6912
         HB2    68 ARG+ HN      5.30  #     3    67680.0  e   1       8809
         HB3    67 ALA  HN      3.80  #     2   645500.0  e   1       9578
         HB3    68 ARG+ HN      5.90  #     3    35360.0  e   1       8808
 67 ALA  
         HN     67 ALA  HA      3.90  #     2   589500.0  e   1       5177
         HN     67 ALA  QB      4.00  #     2M  630200.0  e   1       5178
         HN     68 ARG+ HN      3.50  #     2  1121000.0  e   1       6924
         HN     69 GLU- HN      4.80  #     3   116300.0  e   1       8756
         HA     67 ALA  QB      4.00  #     2M  619800.0  e   1       6918
         HA     68 ARG+ HN      5.20  #     2    96150.0  e   1       5173
         HA     69 GLU- HN      6.00  #   w 3    17170.0  e   1       8755
         HA     70 LEU  HN      5.00  #     3    96300.0  e   1       8757
         HA     70 LEU  HB3     4.10  #     3   315700.0  e   1       8050
         HA     70 LEU  QD2     6.50  #     5M  138300.0  e   1       8758
         HA     71 SER  HN      4.70  #     3   132100.0  e   1       8546
         HA    117 LHEM QM8     5.20  #     5M  498300.0  e   1       9701
         HA    117 LHEM QM1     7.00  #   w 5M   68230.0  e   1       9703
         QB     68 ARG+ HN      4.50  #     2M  301400.0  e   1       7590
         QB    117 LHEM QM8     5.80  #     5M  279300.0  r   1       9700
 68 ARG+ 
         HN     68 ARG+ HA      3.90  #     2   614000.0  e   1       5172
         HN     68 ARG+ HB2     3.40  #     2  1336000.0  e   1       6770
         HN     68 ARG+ HB3     3.50  #     2  1132000.0  e   1       6923
         HN     68 ARG+ HG2     4.10  #     1   350700.0  e   1       8283
         HN     68 ARG+ HG3     4.70  #     1   150500.0  e   1       6922
         HN     68 ARG+ HD3     3.70  #     1   683300.0  e   1       8513
         HN     69 GLU- HN      3.50  #     2  1042000.0  e   1       5171
         HN     69 GLU- HB2     5.10  #     2   112700.0  e   1       8752
         HN     70 LEU  HN      4.00  #     3   369400.0  e   1       7187
         HN     71 SER  HN      5.80  #     3    39500.0  e   1       8759
         HA     68 ARG+ HB2     3.70  #     2   741100.0  e   1       6945
         HA     68 ARG+ HB3     3.80  #     2   721400.0  e   1       6946
         HA     68 ARG+ HG2     3.90  #     1   492200.0  e   1       8278
         HA     68 ARG+ HD2     4.10  #     1   337000.0  e   1       8282
         HA     68 ARG+ HD3     4.20  #     1   286100.0  e   1       8518
         HA     69 GLU- HN      4.00  #     2   515500.0  e   1       6931
         HA     70 LEU  HN      5.10  #     3    83410.0  e   1       8813
         HA     71 SER  HN      4.70  #     3   132900.0  e   1       8814
         HA     71 SER  QB      6.40  # m   3    58200.0*2e   1       8815
         HA     72 LYS+ HN      5.20  #     3    76350.0  e   1       9516
         HB2    68 ARG+ HG2     4.20  #     1   328800.0  e   1       8058
         HB2    68 ARG+ HG3     4.00  #     1   385700.0  e   1       9352
         HB2    68 ARG+ HD2     4.30  #     1   266900.0  e   1       6939
         HB2    68 ARG+ HD3     3.80  #     1   541400.0  e   1       8057
         HB2    69 GLU- HN      3.80  #     2   697300.0  e   1       8277
         HB3    68 ARG+ HG2     3.20  #     1  1553000.0  e   1       8055
         HB3    68 ARG+ HG3     4.30  #     1   273300.0  e   1       6937
         HB3    68 ARG+ HD2     4.70  #     1   149400.0  e   1       7918
         HB3    68 ARG+ HD3     4.20  #     1   290900.0  e   1       8056
         HB3    69 GLU- HN      4.30  #     2   325500.0  e   1       8766
         HG2    68 ARG+ HD2     3.80  #     1   567800.0  e   1       8280
         HG2    68 ARG+ HD3     3.10  #     1  1881000.0  e   1       8279
         HG2    69 GLU- HN      5.00 <#     5   156000.0  e   1       9350
         HG3    68 ARG+ HD2     3.00  #     1  2366000.0  e   1       6940
         HG3    68 ARG+ HD3     4.30  #     1   253600.0  e   1       8514
         HG3    69 GLU- HN      6.00 >#   w 5    19400.0  e   1       8276
         HD2    69 GLU- HN      6.00 >#   w 5    22970.0  e   1       8414
         HD3    69 GLU- HN      5.10 <#     5   131800.0  e   1       8762
 69 GLU- 
         HN     69 GLU- HA      3.50  #     2  1197000.0  e   1       6796
         HN     69 GLU- HB2     3.30  #     2  1686000.0  e   1       5192
         HN     69 GLU- HB3     3.50  #     2  1131000.0  e   1       6960
         HN     69 GLU- HG2     3.30  #     1  1240000.0  e   1       5189
         HN     69 GLU- HG3     3.80  #     1   532900.0  e   1       5190
         HN     70 LEU  HN      3.30  #     2  1456000.0  e   1       6952
         HN     70 LEU  HB2     5.70  #     2    58800.0  e   1       9000
         HN     70 LEU  HB3     5.70  #     2    60140.0  e   1       8999
         HN     71 SER  HN      4.80  #     3   117600.0  e   1       9244
         HA     69 GLU- HB2     3.50  #     2  1156000.0  e   1       6971
         HA     69 GLU- HB3     3.40  #     2  1357000.0  e   1       6972
         HA     69 GLU- HG2     3.30  #     1  1359000.0  e   1       6966
         HA     69 GLU- HG3     3.40  #     1  1148000.0  e   1       6967
         HA     70 LEU  HN      3.80  #     2   658500.0  e   1       6954
         HA     71 SER  HN      4.80  #     3   115400.0  e   1       8816
         HA     72 LYS+ HN      4.10  #     3   338700.0  e   1       6797
         HB2    69 GLU- HG2     3.10  #     1  1964000.0  e   1       6974
         HB2    69 GLU- HG3     3.20  #     1  1598000.0  e   1       6975
         HB2    70 LEU  HN      3.50  #     2  1159000.0  e   1       9662
         HB3    69 GLU- HG2     3.20  #     1  1478000.0  e   1       6973
         HB3    69 GLU- HG3     3.10  #     1  1791000.0  e   1       6968
         HB3    70 LEU  HN      3.70  #     2   747000.0  e   1       7926
 70 LEU  
         HN     70 LEU  HA      3.40  #     2  1301000.0  e   1       6196
         HN     70 LEU  HB2     3.10  #     2  2276000.0  e   1       6198
         HN     70 LEU  HB3     3.20  #     2  2062000.0  e   1       6197
         HN     70 LEU  HG      4.10  #     1   352300.0  e   1       7589
         HN     70 LEU  QD1     5.20  #     1M  439900.0  e   1       7917
         HN     70 LEU  QD2     5.20  #     1M  479400.0  e   1       6202
         HN     71 SER  HN      3.60  #     2   900200.0  e   1       9658
         HN     72 LYS+ HN      4.60  #     3   150400.0  e   1       8480
         HA     70 LEU  HB2     3.40  #     2  1307000.0  e   1       6208
         HA     70 LEU  HB3     3.60  #     2   877800.0  e   1       6207
         HA     70 LEU  HG      4.00  #     1   383100.0  e   1       9165
         HA     70 LEU  QD1     3.60 <#     1M 4262000.0  e   1       6203
         HA     70 LEU  QD2     4.90 >#     1M  634600.0  e   1       6210
         HA     71 SER  HN      4.80  #     2   164200.0  e   1       8817
         HA     72 LYS+ HN      5.10  #     3    86730.0  e   1       8818
         HA     73 THR  HN      4.40  #     3   199900.0  e   1       7913
         HB2    70 LEU  HG      4.10  #     1   359700.0  e   1       8271
         HB2    70 LEU  QD1     4.50  #     1M 1096000.0  e   1       6214
         HB2    70 LEU  QD2     3.80  #     1M 2963000.0  e   1       7889
         HB2    71 SER  HN      4.30 >#     2   334700.0  e   1       8071
         HB2   117 LHEM QM1     5.40  #     5M  392980.0  e   2       7373
         HB3    70 LEU  HG      3.50  #     1   850100.0  e   1       7891
         HB3    70 LEU  QD1     5.10  #     1M  519700.0  e   1       6213
         HB3    70 LEU  QD2     4.40  #     1M 1273000.0  e   1       7146
         HB3    71 SER  HN      3.50 <#     2  1078000.0  e   1       9484
         HB3   117 LHEM QM1     6.20  #     5M  177100.0  e   1       7373
         HG     70 LEU  QD1     3.90  #     1M 2854000.0  e   1       7588
         HG     70 LEU  QD2     3.80  #     1M 3022000.0  e   1       7587
         HG     71 SER  HN      4.50  #     5   271100.0  e   1       9482
         HG     71 SER  HA      5.10  #     5   132500.0  e   1       7419
         HG     74 PHE  QD      7.20  # r   5   112750.0*2e   1       9367
         HG     74 PHE  QE      5.90  # r   5   721500.0*2e   1       9368
         HG     74 PHE  HZ      4.50  #     5   277100.0  e   1       9364
         HG    117 LHEM QM1     5.00  #     5M  643580.0  e   2       7372
         QD1    73 THR  HN      6.60  #     5M  126700.0  e   1       8287
         QD1    74 PHE  QE      7.40  # r   5M  399450.0*2e   1       7390
         QD1    74 PHE  HZ      5.20  #     5M  528900.0  e   1       7401
         QD1   117 LHEM QM1     4.70 >#     5M  930720.0  e   2       7424
         QD2    71 SER  HN      5.80  #     5M  267500.0  e   1       9164
         QD2    74 PHE  QE      7.30  # r   5M  475650.0*2e   1       8530
         QD2    74 PHE  HZ      5.40  #     5M  423000.0  e   1       7402
         QD2   117 LHEM QM1     4.00 <#     5M 2573200.0  e   2       7387
 71 SER  
         HN     71 SER  HA      3.30  #     2  1636000.0  e   1       6216
         HN     71 SER  QB      4.90  # i   2   304850.0*2e   1       6224
         HN     72 LYS+ HN      3.70  #     2   826300.0  e   1       6218
         HN     74 PHE  QD      8.00  # r   5    50350.0*2e   1       8577
         HN     74 PHE  QE      8.00  # r w 5    39040.0*2e   1       8576
         HN    117 LHEM QM1     4.20  #     5M 1828400.0  e   2       7380
         HA     71 SER  QB      4.10  # m   2  2344500.0*2e   1       6223
         HA     72 LYS+ HN      4.10  #     2   425500.0  e   1       6219
         HA     74 PHE  HN      5.30  #     3    63700.0  e   1       8819
         HA     74 PHE  QD      5.50  # r   5  1292000.0*2e   1       7398
         HA     74 PHE  QE      6.30  # r   5   370050.0*2e   1       7188
         HA    117 LHEM QM1     3.90  #     5M 3077200.0  e   2       8572
         HA    117 LHEM HV2A    4.40  #     5   301840.0  e   2       8571
         HA    117 LHEM HV2T    4.40  #     5   333200.0  e   2       8578
         HA    117 LHEM HV2C    4.10  #     5   503160.0  e   2       8569
         QB     72 LYS+ HN      6.60  # m   2    62900.0*2e   1       6220
         QB    117 LHEM QM1     8.00  # m   5M   84250.0*2e   1       7374
 72 LYS+ 
         HN     72 LYS+ HA      3.50  #     2  1100000.0  e   1       5202
         HN     72 LYS+ QB      4.30  # i   2   801500.0*2e   1       6232
         HN     72 LYS+ HG2     3.70 >#     1   702500.0  e   1       6227
         HN     72 LYS+ HG3     3.00 <#     1  2235000.0  e   1       6225
         HN     73 THR  HN      3.50  #     2  1101000.0  e   1       5200
         HN     75 ILE  HG13    5.50  #     5    80330.0  e   1       8820
         HA     72 LYS+ QB      4.70  # m   2   792000.0*2e   1       6648
         HA     72 LYS+ HG2     3.40  #     1  1157000.0  e   1       6653
         HA     72 LYS+ HG3     3.50  #     1  1003000.0  e   1       6238
         HA     73 THR  HN      4.10  #     2   453600.0  e   1       7914
         HA     74 PHE  HN      3.90  #     3   430500.0  e   1       8822
         HA     75 ILE  HN      4.60  #     3   168900.0  e   1       8776
         HA     75 ILE  HG13    3.60  #     5  1011000.0  e   1       7759
         QB     72 LYS+ HG2     4.70 ># m   1   644500.0*2e   1       6649
         QB     72 LYS+ HG3     4.00 <# m   1  2364500.0*2e   1       6661
         QB     75 ILE  HN      6.10  # m   3    87100.0*2e   1       8376
 73 THR  
         HN     73 THR  HA      3.50  #     2  1169000.0  e   1       5201
         HN     73 THR  HB      3.80  #     2   726900.0  e   1       5204
         HN     73 THR  QG2     4.40  #     1M 1224000.0  e   1       5207
         HN     74 PHE  HN      3.40  #     2  1415000.0  e   1       5210
         HN     74 PHE  QD      7.90  # r   5    52450.0*2e   1       7912
         HN     75 ILE  HN      5.10  #     3    80000.0  e   1       8571
         HA     73 THR  HB      3.20  #     2  1964000.0  e   1       6248
         HA     73 THR  QG2     4.50  #     1M 1114000.0  e   1       6245
         HA     74 PHE  HN      4.20  #     2   376600.0  e   1       8606
         HB     73 THR  QG2     3.90  #     1M 2446000.0  e   1       6247
         HB     74 PHE  HN      4.40  #     2   275200.0  e   1       7928
         HB     74 PHE  QE      8.00  # r w 5    45925.0*2e   1       9363
 74 PHE  
         HN     74 PHE  QB      5.10  # i   2   251150.0*2e   1       6251
         HN     74 PHE  QD      6.00  # r   1   413200.0*2e   1       5212
         HN     74 PHE  QE      5.40  # m   1   220150.0*2e   1       6254
         HN     75 ILE  HN      3.20  #     2  1780000.0  e   1       7814
         HN     75 ILE  HB      4.20  #     2   381200.0  e   1       7910
         HN     75 ILE  HG12    4.80  #     5   190400.0  e   1       7911
         QB     74 PHE  QD      6.90  # mr  1   449000.0*4e   1       6667
         QB     74 PHE  QE      7.90  # mr  1   118000.0*4e   1       7148
         QB     75 ILE  HN      6.00  # m   2   131000.0*2e   1       7815
         QD     74 PHE  QE      7.10  # rr  1  2032750.0*4e   1       7147
         QD    117 LHEM QM1     7.10  # r   5M  574490.0*2e   2       7381
         QD    117 LHEM HV2A    6.70  # r   5   220710.0*2e   2       8616
         QD    117 LHEM HV2T    6.70  # r   5   221760.0*2e   2       8649
         QE     74 PHE  HZ      4.90  # r   1  2910500.0*2e   1       8528
         QE    117 LHEM QM1     6.60  # r   5M 1041600.0*2e   2       8534
 75 ILE  
         HN     75 ILE  HA      3.90  #     2   618200.0  e   1       5414
         HN     75 ILE  HB      2.90  #     2  3350000.0  e   1       5416
         HN     75 ILE  QG2     5.00  #     1M  592800.0  e   1       7807
         HN     75 ILE  HG12    3.40  #     1  1205000.0  e   1       5415
         HN     75 ILE  HG13    3.70  #     1   651600.0  e   1       5218
         HN     75 ILE  QD1     4.90  #     1M  631500.0  e   1       5220
         HN     76 ILE  HN      4.70  #     2   175500.0  e   1       8611
         HA     75 ILE  HB      4.00  #     2   473200.0  e   1       6261
         HA     75 ILE  QG2     4.20  #     1M 1596000.0  e   1       7805
         HA     75 ILE  HG12    3.60 <#     1   753100.0  e   1       6262
         HA     75 ILE  HG13    4.30 >#     1   277400.0  e   1       7813
         HA     75 ILE  QD1     4.60  #     1M  949800.0  e   1       6263
         HA     76 ILE  HN      2.90  #     2  3336000.0  e   1       7552
         HA     76 ILE  HG12    5.30 >#     5   108800.0  e   1       8681
         HA     76 ILE  HG13    4.40 <#     5   312700.0  e   1       7947
         HA     77 GLY  HN      3.60  #     3   672700.0  e   1       7581
         HB     75 ILE  QG2     4.00  #     1M 2333000.0  e   1       7811
         HB     75 ILE  HG13    2.70  #     1  4223000.0  e   1       6276
         HB     75 ILE  QD1     4.90  #     1M  663800.0  e   1       7585
         QG2    75 ILE  HG12    4.70 >#     1M  803800.0  e   1       7954
         QG2    75 ILE  HG13    3.90 <#     1M 2838000.0  e   1       8120
         QG2    75 ILE  QD1     5.60  # m   1M  986700.0  e   1       7327
         QG2    77 GLY  HN      4.20  #     5M 1952000.0  e   1       9283
         HG12   75 ILE  QD1     3.60  #     1M 4255000.0  e   1       6270
         HG12   76 ILE  HN      4.90  #     5   160700.0  e   1       7951
         HG12   77 GLY  HN      4.80  #     5   184700.0  e   1       8260
         HG13   75 ILE  QD1     4.10  #     1M 1902000.0  e   1       6272
         QD1    76 ILE  HN      6.20  #     5M  173800.0  e   1       7909
 76 ILE  
         HN     76 ILE  HA      3.80  #     2   661700.0  e   1       5555
         HN     76 ILE  HB      4.50  #     2   256900.0  e   1       7039
         HN     76 ILE  QG2     4.10  #     1M 1861000.0  e   1       5554
         HN     76 ILE  HG12    3.50  #     1   942500.0  e   1       6280
         HN     76 ILE  HG13    3.30  #     1  1313000.0  e   1       5553
         HN     76 ILE  QD1     5.50  #     1M  334800.0  e   1       5551
         HN     77 GLY  HN      3.10  #     2  2505000.0  e   1       6284
         HA     76 ILE  HB      3.10  #     2  2162000.0  e   1       6282
         HA     76 ILE  QG2     3.90  #     1M 2668000.0  e   1       7082
         HA     76 ILE  HG12    4.30  #     1   247700.0  e   1       8262
         HA     76 ILE  HG13    5.00  #     1   111700.0  e   1       8263
         HA     76 ILE  QD1     7.00  #   w 1M   51560.0  e   1       8264
         HA     77 GLY  HN      4.20  #     2   361500.0  e   1       7313
         HB     76 ILE  QG2     3.70  #     1M 3667000.0  e   1       7081
         HB     76 ILE  HG12    3.30  #     1  1304000.0  e   1       7071
         HB     76 ILE  HG13    3.60  #     1   756000.0  e   1       7072
         HB     76 ILE  QD1     4.20  #     1M 1685000.0  e   1       7061
         HB     77 GLY  HN      4.70  #     2   196900.0  e   1       8261
         QG2    76 ILE  HG12    4.70  #     1M  899500.0  e   1       7078
         QG2    76 ILE  HG13    4.30  #     1M 1531000.0  e   1       7084
         QG2    76 ILE  QD1     5.00  # m   1M 2263000.0  e   1       7083
         QG2    77 GLY  HN      5.50  #     5M  369000.0  e   1       6563
         HG12   76 ILE  QD1     4.20  #     1M 1619000.0  e   1       7065
         HG12   77 GLY  HN      4.20  #     5   402400.0  e   1       7316
         HG13   76 ILE  QD1     4.30  #     1M 1436000.0  e   1       7080
         HG13   77 GLY  HN      4.40  #     5   327800.0  e   1       7315
         QD1    77 GLY  HN      6.60  #     5M  122100.0  e   1       7314
 77 GLY  
         HN     77 GLY  HA1     3.90  #     2   570900.0  e   1       6285
         HN     77 GLY  HA2     3.70  #     2   819700.0  e   1       5234
         HA1    78 GLU- HN      3.50  #     2  1137000.0  e   1       8079
         HA2    78 GLU- HN      3.40  #     2  1419000.0  e   1       8078
 78 GLU- 
         HN     78 GLU- HA      3.50  #     2  1143000.0  e   1       5241
         HN     78 GLU- HB2     3.90  #     2   557500.0  e   1       5240
         HN     78 GLU- HB3     3.70  #     2   823400.0  e   1       5428
         HN     78 GLU- QG      6.30  # m   1    70700.0*2e   1       8879
         HN     79 LEU  HN      4.90  #     2   137000.0  e   1       8894
         HA     78 GLU- HB2     3.30 <#     2  1490000.0  e   1       6132
         HA     78 GLU- HB3     4.00 >#     2   507800.0  e   1       6135
         HA     78 GLU- QG      4.90  # i   1   260550.0*2e   1       8878
         HA     79 LEU  HN      3.10  #     2  2297000.0  e   1       5242
         HB2    78 GLU- QG      4.40  # m   1  1057000.0*2e   1       8876
         HB2    79 LEU  HN      3.40  #     2  1352000.0  e   1       5239
         HB3    78 GLU- QG      4.50  # m   1   949000.0*2e   1       8880
         HB3    79 LEU  HN      3.60  #     2   898100.0  e   1       9663
         QG     79 LEU  HN      7.00  # m w 5    33765.0*2e   1       8882
 79 LEU  
         HN     79 LEU  HA      3.80  #     2   630500.0  e   1       5422
         HN     79 LEU  QB      4.30  # i   2   828500.0*2e   1       5236
         HN     79 LEU  HG      4.40  #     1   224600.0  e   1       5237
         HN     79 LEU  QD1     5.10  #     1M  530000.0  e   1       5423
         HN     79 LEU  QD2     4.90  #     1M  661500.0  e   1       6124
         HN     80 HIS  HN      5.80  #     2    50520.0  e   1       8678
         HN     84 ARG+ HE      6.00  #   w 5    36870.0  e   1       9462
         HA     79 LEU  HG      4.10  #     1   358600.0  e   1       8521
         HA     79 LEU  QD1     4.00 <#     1M 2351000.0  e   1       6121
         HA     79 LEU  QD2     5.50 >#     1M  313100.0  e   1       8119
         HA     80 HIS  HN      3.00  #     2  2741000.0  e   1       5420
         QB     79 LEU  QD1     5.20  # m   1M 1641000.0*2e   1       6117
         QB     79 LEU  QD2     5.30  # m   1M 1516000.0*2e   1       7941
         QB     80 HIS  HN      6.40  # m   2    84550.0*2e   1       9379
         HG     79 LEU  QD1     3.80  #     1M 2889000.0  e   1       6116
         HG     79 LEU  QD2     4.00  #     1M 2238000.0  e   1       7036
         HG     80 HIS  HN      4.50  #     5   281900.0  e   1       7794
         HG     80 HIS  HB2     5.30  #     5   105000.0  e   1       8985
         HG     83 ASP- HN      4.80  #     5   186400.0  e   1       9452
         HG     83 ASP- HB3     4.00  #     5   590600.0  e   1       9453
         HG     84 ARG+ HN      5.40  #     5    95520.0  e   1       9451
         HG     84 ARG+ HE      5.60  #     5    78100.0  e   1       9311
         QD1    80 HIS  HN      4.40 <#     5M 1393000.0  e   1       7629
         QD1    80 HIS  HB2     6.00  #     5M  221500.0  e   1       9461
         QD1    80 HIS  HB3     6.30  #     5M  165700.0  e   1       9460
         QD1    83 ASP- HN      5.90  #     5M  237500.0  e   1       9454
         QD1    83 ASP- HA      7.00  #   w 5M   67890.0  e   1       9312
         QD1    83 ASP- HB2     4.80  #     5M  873000.0  e   1       7621
         QD1    83 ASP- HB3     5.30  #     5M  444300.0  e   1       7626
         QD1    84 ARG+ HE      6.70  #     5M  117100.0  e   1       9464
         QD2    80 HIS  HN      6.30 >#     5M  166300.0  e   1       8680
         QD2    83 ASP- HN      6.70  #     5M  112900.0  e   1       9455
         QD2    83 ASP- HA      7.00  #   w 5M   72390.0  e   1       9313
         QD2    83 ASP- HB2     4.90  #     5M  780300.0  e   1       7627
         QD2    83 ASP- HB3     5.00  #     5M  646000.0  e   1       7476
         QD2    84 ARG+ HE      6.60  #     5M  123700.0  e   1       9465
 80 HIS  
         HN     80 HIS  HA      3.80  #     2   701700.0  e   1       5419
         HN     80 HIS  HB2     3.40  #     2  1386000.0  e   1       5417
         HN     80 HIS  HB3     3.50  #     2  1124000.0  e   1       6106
         HN     80 HIS  HD2     4.70  #     1   154400.0  e   1       7701
         HN     81 PRO  QG      7.00  # m w 5    13225.0*2e   1       8947
         HN     83 ASP- HN      5.70  #     3    45320.0  e   1       9060
         HA     80 HIS  HB2     3.60  #     2   868400.0  e   1       6109
         HA     80 HIS  HB3     4.00  #     2   509000.0  e   1       6105
         HA     80 HIS  HD2     4.50  #     1   215100.0  e   1       7702
         HA     81 PRO  QG      5.70  # m   5   224450.0*2e   1       8949
         HA     84 ARG+ HE      6.00  #   w 5    14270.0  e   1       9310
         HB2    80 HIS  HD2     3.50 <#     1   971500.0  e   1       6508
         HB2    82 ASP- HN      4.70  #     3   146900.0  e   1       8257
         HB3    80 HIS  HD2     4.10 >#     1   362900.0  e   1       7783
         HB3    80 HIS  HE1     4.80  #     1   138600.0  e   1       9064
         HB3    82 ASP- HN      4.90  #     3   105400.0  e   1       8256
         HD2    80 HIS  HE1     5.00  #     1   100500.0  e   1       8953
         HD2    81 PRO  QG      7.00  # m   5    48480.0*2e   1       8948
         HD2    82 ASP- HN      6.00  #   w 5    27260.0  e   1       8258
         HE1    81 PRO  QG      5.60  # m   5   230950.0*2e   1       9249
         HE1    82 ASP- HN      3.90  #     5   723000.0  e   1       5020
 81 PRO  
         HA     81 PRO  HB2     3.70  #     2   779200.0  e   1       7774
         HA     81 PRO  HB3     3.20  #     2  1858000.0  e   1       7775
         HA     81 PRO  QG      5.20  # i   1   170600.0*2e   1       7678
         HA     82 ASP- HN      4.90  #     2   146000.0  e   1       6773
         HA     83 ASP- HN      5.30  #     3    69270.0  e   1       8689
         HA     83 ASP- HB3     4.60  #     3   162900.0  e   1       9059
         HA     84 ARG+ HN      4.50  #     3   181500.0  e   1       8687
         HA     84 ARG+ HB2     3.60  #     3   760900.0  e   1       8397
         HA     84 ARG+ HB3     4.10  #     3   329900.0  e   1       8396
         HA     84 ARG+ HE      4.20  #     5   413400.0  e   1       8398
         HB2    81 PRO  QG      4.30  # m   1  1222000.0*2e   1       7778
         HB2    82 ASP- HN      4.60  #     2   207800.0  e   1       6776
         HB3    81 PRO  QG      4.30  # m   1  1226500.0*2e   1       7779
         HB3    82 ASP- HN      4.70  #     2   180400.0  e   1       6774
         HB3    83 ASP- HN      5.90  #     3    35760.0  e   1       8690
         HB3    84 ARG+ HN      5.00  #     3    95510.0  e   1       8686
         HB3    84 ARG+ HE      5.00  #     5   156400.0  e   1       9248
         QG     82 ASP- HN      5.80  # m   5   195000.0*2e   1       6775
 82 ASP- 
         HN     82 ASP- HA      3.60  #     2   920300.0  e   1       6098
         HN     82 ASP- HB2     3.30  #     2  1519000.0  e   1       6102
         HN     82 ASP- HB3     3.70  #     2   820300.0  e   1       6099
         HN     83 ASP- HN      3.40  #     2  1299000.0  e   1       6097
         HN     84 ARG+ HN      4.90  #     3   103100.0  e   1       7281
         HA     82 ASP- HB2     3.30  #     2  1707000.0  e   1       6101
         HA     82 ASP- HB3     3.50  #     2  1207000.0  e   1       6100
         HA     83 ASP- HN      4.30  #     2   310500.0  e   1       6096
         HA     84 ARG+ HN      4.60  #     3   157900.0  e   1       9247
         HB3    83 ASP- HN      4.60  #     2   209900.0  e   1       8691
 83 ASP- 
         HN     83 ASP- HA      3.80  #     2   636900.0  e   1       6093
         HN     83 ASP- HB2     3.70  #     2   773500.0  e   1       6780
         HN     83 ASP- HB3     3.50  #     2  1055000.0  e   1       6783
         HN     84 ARG+ HN      3.20  #     2  1761000.0  e   1       6778
         HN     84 ARG+ HA      4.70  #     2   182600.0  e   1       8785
         HN     84 ARG+ HB2     5.00  #     2   125500.0  e   1       8694
         HA     83 ASP- HB2     3.60  #     2   951000.0  e   1       6781
         HA     83 ASP- HB3     3.90  #     2   557900.0  e   1       6784
         HA     84 ARG+ HN      3.90  #     2   566400.0  e   1       5224
         HB2    84 ARG+ HN      4.80 >#     2   157400.0  e   1       9750
         HB3    84 ARG+ HN      4.00 <#     2   461000.0  e   1       8693
         HB3    84 ARG+ HA      5.50  #     2    72980.0  e   1       9063
         HB3    84 ARG+ HE      4.90  #     5   178600.0  e   1       8692
 84 ARG+ 
         HN     84 ARG+ HA      3.70  #     2   850700.0  e   1       5225
         HN     84 ARG+ HB2     3.50  #     2  1121000.0  e   1       5229
         HN     84 ARG+ HB3     3.50  #     2  1065000.0  e   1       5228
         HN     84 ARG+ HE      5.70  #     1    46250.0  e   1       7791
         HA     84 ARG+ HB2     3.70  #     2   762000.0  e   1       6088
         HA     84 ARG+ HB3     3.80  #     2   660700.0  e   1       6087
         HA     84 ARG+ HE      5.20  #     1    83150.0  e   1       7937
         HB2    84 ARG+ HE      3.60 <#     1   783800.0  e   1       7789
         HB3    84 ARG+ HE      4.40 >#     1   224900.0  e   1       7787
117 LHEM 
         HAP71 117 LHEM HAP72   2.50  #   s 1 10252200.0  e   2       8601
         HAP71 117 LHEM HBP73   2.90  #     1  2658600.0  e   2       8638
         HAP71 117 LHEM HBP74   2.70  #     1  4142600.0  e   2       8541
         HAP71 117 LHEM QM8     4.50  #     1M 1145480.0  e   2       8583
         HAP71 117 LHEM HGM     3.50  #     1   900760.0  e   2       8643
         HAP72 117 LHEM HBP74   2.90  #     1  2695000.0  e   2       8658
         HAP72 117 LHEM QM8     3.70  #     1M 3746400.0  e   2       8600
         HBP73 117 LHEM HBP74   2.50  #   s 1 13980400.0  e   2       8673
         HBP74 117 LHEM QM8     6.40  #     1M  135506.0  e   2       8657
         QM8   117 LHEM HDM     4.20  #     1M 1594600.0  e   2       8678
         HDM   117 LHEM QM1     4.80  #     1M  790720.0  e   2       8681
         QM1   117 LHEM HV2A    4.50  #     1M 1073100.0  e   2       8556
         QM1   117 LHEM HV2T    5.10  #     1M  534380.0  e   2       8553
         QM1   117 LHEM HV2C    7.00  #   w 1M   62538.0  e   2       8576
         HV2A  117 LHEM HV2T    4.00  #     1   383040.0  e   2       8580
         HV2A  117 LHEM HV2C    3.50  #     1   876400.0  e   2       8577
         HV2A  117 LHEM HAM     3.90  #     1   485380.0  e   2       8558
         HV2T  117 LHEM HV2C    3.30  #     1  1433600.0  e   2       8544
         HV2T  117 LHEM HAM     4.30  #     1   272160.0  e   2       8552
         HV2T  117 LHEM QM3     6.20  #     1M  154140.0  e   2       8550
         HAM   117 LHEM QM3     3.70  #     1M 3372600.0  e   2       8549
         QM3   117 LHEM HV4A    4.60  #     1M  949060.0  e   2       8630
         QM3   117 LHEM HV4T    4.00  #     1M 2192400.0  e   2       8619
         HBM   117 LHEM QM5     4.60  #     1M 1019760.0  e   2       8675
         QM5   117 LHEM HAP61   4.20  #     1M 1691200.0  e   2       8606
         QM5   117 LHEM HAP62   4.90  #     1M  665000.0  e   2       8662
         QM5   117 LHEM HBP63   5.00  #     1M  582400.0  e   2       8596
         QM5   117 LHEM HBP64   6.40  #     1M  135170.0  e   2       8595
         HGM   117 LHEM HAP61   4.00  #     1   402080.0  e   2       8669
         HGM   117 LHEM HAP62   3.60  #     1   817040.0  e   2       8670
         HAP61 117 LHEM HAP62   2.50  #   s 1  9151800.0  e   2       8668
         HAP61 117 LHEM HBP63   3.20  #     1  1477000.0  e   2       8608
         HAP61 117 LHEM HBP64   3.50  #     1   910560.0  e   2       8665
         HAP62 117 LHEM HBP63   3.40  #     1  1064140.0  e   2       8645
         HAP62 117 LHEM HBP64   3.30  #     1  1346800.0  e   2       8666
         HBP63 117 LHEM HBP64   2.60  #     1  5093200.0  e   2       8594
 117 LHEM
         FE    -28 LTNS PCN     0.20  5.00E+00
  63 HIS
         NE2   117 LHEM FE      2.20  3.00E+00  
         HE1   117 LHEM QM3     5.50
  39 HIS
         NE2   117 LHEM FE      2.20  3.00E+00 
         HD1    45 VAL  QG1     5.50
         HD1    46 LEU  QD2     5.50


  Entry H atom name         Submitted Coord H atom name
    1   1H    ALA   3          H1        ALA   3   5.129 -12.664 -12.878
    2   2H    ALA   3          H2        ALA   3   5.389 -14.088 -13.720
    3   3H    ALA   3          H3        ALA   3   3.861 -13.625 -13.249
    4    HA   ALA   3           HA       ALA   3   6.081 -14.496 -11.560
    5   1HB   ALA   3          HB1       ALA   3   4.454 -16.228 -12.372
    6   2HB   ALA   3          HB2       ALA   3   4.439 -16.049 -10.615
    7   3HB   ALA   3          HB3       ALA   3   3.138 -15.326 -11.585
    8    H    VAL   4           HN       VAL   4   4.418 -14.580  -9.143
    9    HA   VAL   4           HA       VAL   4   4.808 -11.877  -8.323
   10    HB   VAL   4           HB       VAL   4   2.498 -11.789  -9.373
   11   1HG1  VAL   4          HG11      VAL   4   1.805 -14.149  -8.737
   12   2HG1  VAL   4          HG12      VAL   4   1.614 -13.577  -7.063
   13   3HG1  VAL   4          HG13      VAL   4   0.618 -12.896  -8.354
   14   1HG2  VAL   4          HG21      VAL   4   2.422 -11.397  -6.372
   15   2HG2  VAL   4          HG22      VAL   4   3.219 -10.279  -7.505
   16   3HG2  VAL   4          HG23      VAL   4   1.475 -10.552  -7.605
   17    H    LYS   5           HN       LYS   5   4.737 -11.889  -5.913
   18    HA   LYS   5           HA       LYS   5   4.882 -14.648  -4.766
   19   1HB   LYS   5          HB2       LYS   5   6.149 -12.036  -3.865
   20   2HB   LYS   5          HB3       LYS   5   6.085 -13.524  -2.896
   21   1HG   LYS   5          HG2       LYS   5   7.217 -14.737  -4.801
   22   2HG   LYS   5          HG3       LYS   5   7.442 -13.173  -5.607
   23   1HD   LYS   5          HD2       LYS   5   8.779 -12.361  -3.697
   24   2HD   LYS   5          HD3       LYS   5   8.474 -13.875  -2.820
   25   1HE   LYS   5          HE2       LYS   5   9.606 -15.156  -4.667
   26   2HE   LYS   5          HE3       LYS   5   9.982 -13.625  -5.476
   27   1HZ   LYS   5          HZ1       LYS   5  10.940 -14.443  -2.808
   28   2HZ   LYS   5          HZ2       LYS   5  11.823 -14.444  -4.193
   29   3HZ   LYS   5          HZ3       LYS   5  11.303 -13.021  -3.555
   30    H    TYR   6           HN       TYR   6   3.512 -15.099  -3.060
   31    HA   TYR   6           HA       TYR   6   1.275 -13.177  -2.635
   32   1HB   TYR   6          HB2       TYR   6   1.560 -16.166  -2.178
   33   2HB   TYR   6          HB3       TYR   6   0.178 -15.194  -1.713
   34    HD1  TYR   6           HD1      TYR   6   2.028 -16.611  -4.592
   35    HD2  TYR   6           HD2      TYR   6  -1.400 -14.303  -3.368
   36    HE1  TYR   6           HE1      TYR   6   1.098 -16.785  -6.874
   37    HE2  TYR   6           HE2      TYR   6  -2.341 -14.507  -5.667
   38    HH   TYR   6           HH       TYR   6  -0.660 -16.251  -8.274
   39    H    TYR   7           HN       TYR   7   1.056 -12.251  -0.571
   40    HA   TYR   7           HA       TYR   7   2.782 -13.363   1.616
   41   1HB   TYR   7          HB2       TYR   7   2.134 -10.439   1.328
   42   2HB   TYR   7          HB3       TYR   7   3.244 -11.198   2.450
   43    HD1  TYR   7           HD1      TYR   7   5.061 -12.836   0.979
   44    HD2  TYR   7           HD2      TYR   7   3.289  -9.084  -0.191
   45    HE1  TYR   7           HE1      TYR   7   6.942 -12.424  -0.583
   46    HE2  TYR   7           HE2      TYR   7   5.229  -8.620  -1.626
   47    HH   TYR   7           HH       TYR   7   6.894  -9.700  -2.863
   48    H    THR   8           HN       THR   8   1.914 -13.389   3.666
   49    HA   THR   8           HA       THR   8  -0.948 -13.666   3.742
   50    HB   THR   8           HB       THR   8   0.006 -14.317   6.211
   51    HG1  THR   8           HG1      THR   8   2.145 -14.309   6.175
   52   1HG2  THR   8          HG21      THR   8   0.376 -16.598   5.333
   53   2HG2  THR   8          HG22      THR   8  -1.080 -15.877   4.614
   54   3HG2  THR   8          HG23      THR   8   0.431 -15.965   3.675
   55    H    LEU   9           HN       LEU   9  -2.369 -12.534   4.999
   56    HA   LEU   9           HA       LEU   9  -1.941  -9.794   5.317
   57   1HB   LEU   9          HB2       LEU   9  -4.105 -10.889   5.130
   58   2HB   LEU   9          HB3       LEU   9  -3.975 -11.543   6.765
   59    HG   LEU   9           HG       LEU   9  -3.582  -8.578   6.479
   60   1HD1  LEU   9          HD11      LEU   9  -6.311  -9.866   6.076
   61   2HD1  LEU   9          HD12      LEU   9  -6.008  -8.133   6.334
   62   3HD1  LEU   9          HD13      LEU   9  -5.400  -8.927   4.873
   63   1HD2  LEU   9          HD21      LEU   9  -3.636  -9.692   8.718
   64   2HD2  LEU   9          HD22      LEU   9  -4.965  -8.538   8.521
   65   3HD2  LEU   9          HD23      LEU   9  -5.275 -10.277   8.373
   66    H    GLU  10           HN       GLU  10  -1.667 -12.358   7.740
   67    HA   GLU  10           HA       GLU  10  -0.854 -11.130  10.091
   68   1HB   GLU  10          HB2       GLU  10  -1.016 -13.493   9.891
   69   2HB   GLU  10          HB3       GLU  10   0.224 -13.559   8.633
   70   1HG   GLU  10          HG2       GLU  10   1.066 -14.355  10.783
   71   2HG   GLU  10          HG3       GLU  10   1.945 -12.964  10.155
   72    H    GLU  11           HN       GLU  11   1.336 -11.875   7.307
   73    HA   GLU  11           HA       GLU  11   3.613 -10.591   8.432
   74   1HB   GLU  11          HB2       GLU  11   2.810 -11.759   5.766
   75   2HB   GLU  11          HB3       GLU  11   4.122 -10.625   5.798
   76   1HG   GLU  11          HG2       GLU  11   4.805 -13.050   6.065
   77   2HG   GLU  11          HG3       GLU  11   5.401 -11.969   7.333
   78    H    ILE  12           HN       ILE  12   1.286  -9.575   5.907
   79    HA   ILE  12           HA       ILE  12   2.339  -7.005   5.548
   80    HB   ILE  12           HB       ILE  12  -0.577  -7.850   5.416
   81   1HG1  ILE  12          HG12      ILE  12   0.840  -9.286   4.028
   82   2HG1  ILE  12          HG13      ILE  12  -0.099  -8.195   3.007
   83   1HG2  ILE  12          HG21      ILE  12  -0.561  -5.496   5.384
   84   2HG2  ILE  12          HG22      ILE  12   0.882  -5.416   4.352
   85   3HG2  ILE  12          HG23      ILE  12  -0.662  -5.994   3.687
   86   1HD1  ILE  12          HD11      ILE  12   2.851  -8.135   3.724
   87   2HD1  ILE  12          HD12      ILE  12   2.120  -8.365   2.148
   88   3HD1  ILE  12          HD13      ILE  12   2.026  -6.768   2.913
   89    H    GLN  13           HN       GLN  13   0.071  -7.960   8.164
   90    HA   GLN  13           HA       GLN  13  -0.270  -5.314   9.173
   91   1HB   GLN  13          HB2       GLN  13  -0.479  -8.039  10.495
   92   2HB   GLN  13          HB3       GLN  13  -0.770  -6.522  11.362
   93   1HG   GLN  13          HG2       GLN  13  -2.462  -5.866   9.680
   94   2HG   GLN  13          HG3       GLN  13  -2.288  -7.440   8.886
   95   1HE2  GLN  13          HE21      GLN  13  -4.710  -6.298  10.097
   96   2HE2  GLN  13          HE22      GLN  13  -5.150  -7.382  11.411
   97    H    LYS  14           HN       LYS  14   2.532  -7.387   9.403
   98    HA   LYS  14           HA       LYS  14   3.690  -5.908  11.683
   99   1HB   LYS  14          HB2       LYS  14   4.508  -8.218   9.919
  100   2HB   LYS  14          HB3       LYS  14   5.758  -7.318  10.715
  101   1HG   LYS  14          HG2       LYS  14   4.691  -7.722  12.918
  102   2HG   LYS  14          HG3       LYS  14   3.246  -8.372  12.138
  103   1HD   LYS  14          HD2       LYS  14   5.985  -9.710  12.219
  104   2HD   LYS  14          HD3       LYS  14   4.523 -10.148  13.129
  105   1HE   LYS  14          HE2       LYS  14   3.445 -10.257  10.686
  106   2HE   LYS  14          HE3       LYS  14   5.130 -10.532  10.194
  107   1HZ   LYS  14          HZ1       LYS  14   3.405 -12.138  11.949
  108   2HZ   LYS  14          HZ2       LYS  14   4.091 -12.568  10.525
  109   3HZ   LYS  14          HZ3       LYS  14   5.043 -12.418  11.843
  110    H    HIS  15           HN       HIS  15   3.413  -5.628   8.216
  111    HA   HIS  15           HA       HIS  15   5.717  -3.759   8.082
  112   1HB   HIS  15          HB2       HIS  15   4.080  -5.207   5.997
  113   2HB   HIS  15          HB3       HIS  15   5.225  -3.951   5.623
  114    HD1  HIS  15           HD1      HIS  15   7.948  -4.624   6.007
  115    HD2  HIS  15           HD2      HIS  15   5.031  -7.587   6.675
  116    HE1  HIS  15           HE1      HIS  15   9.168  -6.827   6.128
  117    H    ASN  16           HN       ASN  16   4.076  -2.531   9.627
  118    HA   ASN  16           HA       ASN  16   2.299  -0.792   7.951
  119   1HB   ASN  16          HB2       ASN  16   0.661  -0.875   9.669
  120   2HB   ASN  16          HB3       ASN  16   1.097  -2.550   9.289
  121   1HD2  ASN  16          HD21      ASN  16  -0.204  -1.785  11.674
  122   2HD2  ASN  16          HD22      ASN  16   0.902  -2.146  12.991
  123    H    ASN  17           HN       ASN  17   5.029   0.013   8.643
  124    HA   ASN  17           HA       ASN  17   4.400   2.470  10.028
  125   1HB   ASN  17          HB2       ASN  17   4.681   0.610  11.879
  126   2HB   ASN  17          HB3       ASN  17   6.392   0.665  11.458
  127   1HD2  ASN  17          HD21      ASN  17   6.981   1.461  13.548
  128   2HD2  ASN  17          HD22      ASN  17   6.599   3.092  14.052
  129    H    SER  18           HN       SER  18   6.882   3.506  10.668
  130    HA   SER  18           HA       SER  18   7.896   4.311   8.340
  131   1HB   SER  18          HB2       SER  18   9.626   3.946  10.804
  132   2HB   SER  18          HB3       SER  18   9.603   5.300   9.658
  133    HG   SER  18           HG       SER  18   7.594   5.893  10.480
  134    H    LYS  19           HN       LYS  19   9.107   1.431  10.116
  135    HA   LYS  19           HA       LYS  19  11.358   0.981   8.371
  136   1HB   LYS  19          HB2       LYS  19   9.985  -0.518  10.582
  137   2HB   LYS  19          HB3       LYS  19  10.782  -1.508   9.364
  138   1HG   LYS  19          HG2       LYS  19  12.870  -0.134   9.647
  139   2HG   LYS  19          HG3       LYS  19  12.107   0.632  11.058
  140   1HD   LYS  19          HD2       LYS  19  11.838  -1.607  12.107
  141   2HD   LYS  19          HD3       LYS  19  12.487  -2.379  10.645
  142   1HE   LYS  19          HE2       LYS  19  14.651  -1.145  10.976
  143   2HE   LYS  19          HE3       LYS  19  14.020  -0.491  12.497
  144   1HZ   LYS  19          HZ1       LYS  19  15.386  -2.421  12.847
  145   2HZ   LYS  19          HZ2       LYS  19  13.844  -2.761  13.302
  146   3HZ   LYS  19          HZ3       LYS  19  14.436  -3.348  11.882
  147    H    SER  20           HN       SER  20   7.957   0.377   7.911
  148    HA   SER  20           HA       SER  20   8.343  -0.793   5.328
  149   1HB   SER  20          HB2       SER  20   7.612  -2.606   7.629
  150   2HB   SER  20          HB3       SER  20   7.048  -2.863   5.961
  151    HG   SER  20           HG       SER  20   9.773  -2.448   6.346
  152    H    THR  21           HN       THR  21   6.667   0.529   4.503
  153    HA   THR  21           HA       THR  21   4.027   0.507   5.952
  154    HB   THR  21           HB       THR  21   5.145   2.622   4.082
  155    HG1  THR  21           HG1      THR  21   5.780   2.282   6.513
  156   1HG2  THR  21          HG21      THR  21   3.066   3.853   4.765
  157   2HG2  THR  21          HG22      THR  21   2.640   2.346   3.953
  158   3HG2  THR  21          HG23      THR  21   2.599   2.456   5.730
  159    H    TRP  22           HN       TRP  22   3.381  -1.465   5.090
  160    HA   TRP  22           HA       TRP  22   2.819  -1.499   2.157
  161   1HB   TRP  22          HB2       TRP  22   3.112  -3.848   4.063
  162   2HB   TRP  22          HB3       TRP  22   2.880  -3.918   2.323
  163    HD1  TRP  22           HD1      TRP  22   5.639  -1.562   2.581
  164    HE1  TRP  22           HE1      TRP  22   7.872  -2.674   2.365
  165    HE3  TRP  22           HE3      TRP  22   4.173  -6.367   3.420
  166    HZ2  TRP  22           HZ2      TRP  22   8.954  -5.392   2.509
  167    HZ3  TRP  22           HZ3      TRP  22   5.799  -8.232   3.309
  168    HH2  TRP  22           HH2      TRP  22   8.206  -7.748   2.853
  169    H    LEU  23           HN       LEU  23   0.745  -2.102   1.570
  170    HA   LEU  23           HA       LEU  23  -1.265  -2.637   3.635
  171   1HB   LEU  23          HB2       LEU  23  -2.286  -0.652   1.801
  172   2HB   LEU  23          HB3       LEU  23  -2.284  -0.636   3.559
  173    HG   LEU  23           HG       LEU  23   0.132   0.349   3.307
  174   1HD1  LEU  23          HD11      LEU  23   0.119  -0.366   0.731
  175   2HD1  LEU  23          HD12      LEU  23  -0.879   1.065   0.524
  176   3HD1  LEU  23          HD13      LEU  23   0.760   1.209   1.207
  177   1HD2  LEU  23          HD21      LEU  23  -1.832   1.674   3.942
  178   2HD2  LEU  23          HD22      LEU  23  -0.741   2.565   2.870
  179   3HD2  LEU  23          HD23      LEU  23  -2.257   1.871   2.235
  180    H    ILE  24           HN       ILE  24  -3.332  -3.163   2.565
  181    HA   ILE  24           HA       ILE  24  -2.860  -4.625   0.048
  182    HB   ILE  24           HB       ILE  24  -5.320  -4.641   1.829
  183   1HG1  ILE  24          HG12      ILE  24  -4.656  -6.999   2.219
  184   2HG1  ILE  24          HG13      ILE  24  -3.018  -6.596   1.637
  185   1HG2  ILE  24          HG21      ILE  24  -5.956  -6.568   0.444
  186   2HG2  ILE  24          HG22      ILE  24  -5.831  -5.100  -0.520
  187   3HG2  ILE  24          HG23      ILE  24  -4.512  -6.297  -0.563
  188   1HD1  ILE  24          HD11      ILE  24  -3.250  -6.669   4.111
  189   2HD1  ILE  24          HD12      ILE  24  -2.832  -5.031   3.616
  190   3HD1  ILE  24          HD13      ILE  24  -4.511  -5.433   4.043
  191    H    LEU  25           HN       LEU  25  -3.497  -3.706  -1.886
  192    HA   LEU  25           HA       LEU  25  -5.916  -1.965  -1.858
  193   1HB   LEU  25          HB2       LEU  25  -3.549  -1.515  -3.713
  194   2HB   LEU  25          HB3       LEU  25  -5.127  -0.788  -3.843
  195    HG   LEU  25           HG       LEU  25  -3.603   0.823  -3.060
  196   1HD1  LEU  25          HD11      LEU  25  -4.727   1.632  -1.092
  197   2HD1  LEU  25          HD12      LEU  25  -5.890   0.896  -2.206
  198   3HD1  LEU  25          HD13      LEU  25  -5.376   0.017  -0.750
  199   1HD2  LEU  25          HD21      LEU  25  -2.882  -0.759  -0.604
  200   2HD2  LEU  25          HD22      LEU  25  -1.866  -0.523  -2.045
  201   3HD2  LEU  25          HD23      LEU  25  -2.370   0.866  -1.096
  202    H    HIS  26           HN       HIS  26  -7.464  -2.977  -3.091
  203    HA   HIS  26           HA       HIS  26  -8.473  -4.558  -4.363
  204   1HB   HIS  26          HB2       HIS  26  -6.167  -4.094  -6.284
  205   2HB   HIS  26          HB3       HIS  26  -7.820  -4.578  -6.681
  206    HD1  HIS  26           HD1      HIS  26  -9.695  -2.571  -6.559
  207    HD2  HIS  26           HD2      HIS  26  -5.640  -1.536  -6.098
  208    HE1  HIS  26           HE1      HIS  26  -9.529  -0.068  -6.977
  209    H    TYR  27           HN       TYR  27  -6.744  -5.745  -2.457
  210    HA   TYR  27           HA       TYR  27  -5.869  -7.672  -1.765
  211   1HB   TYR  27          HB2       TYR  27  -6.676  -8.981  -4.332
  212   2HB   TYR  27          HB3       TYR  27  -6.363  -9.741  -2.794
  213    HD1  TYR  27           HD1      TYR  27  -8.936  -9.482  -4.818
  214    HD2  TYR  27           HD2      TYR  27  -7.904  -8.205  -0.825
  215    HE1  TYR  27           HE1      TYR  27 -11.276  -9.839  -4.084
  216    HE2  TYR  27           HE2      TYR  27 -10.220  -8.605  -0.099
  217    HH   TYR  27           HH       TYR  27 -12.236  -9.665  -0.691
  218    H    LYS  28           HN       LYS  28  -4.129  -5.792  -3.394
  219    HA   LYS  28           HA       LYS  28  -1.927  -7.735  -3.544
  220   1HB   LYS  28          HB2       LYS  28  -2.288  -5.396  -5.490
  221   2HB   LYS  28          HB3       LYS  28  -0.835  -6.378  -5.308
  222   1HG   LYS  28          HG2       LYS  28  -1.916  -7.333  -7.154
  223   2HG   LYS  28          HG3       LYS  28  -2.296  -8.391  -5.789
  224   1HD   LYS  28          HD2       LYS  28  -4.455  -8.155  -6.132
  225   2HD   LYS  28          HD3       LYS  28  -4.315  -6.396  -5.849
  226   1HE   LYS  28          HE2       LYS  28  -3.961  -5.927  -8.140
  227   2HE   LYS  28          HE3       LYS  28  -3.906  -7.656  -8.567
  228   1HZ   LYS  28          HZ1       LYS  28  -6.226  -6.566  -7.155
  229   2HZ   LYS  28          HZ2       LYS  28  -6.121  -7.899  -8.094
  230   3HZ   LYS  28          HZ3       LYS  28  -6.119  -6.412  -8.812
  231    H    VAL  29           HN       VAL  29   0.166  -6.860  -3.197
  232    HA   VAL  29           HA       VAL  29  -0.002  -5.123  -0.806
  233    HB   VAL  29           HB       VAL  29   2.006  -7.252  -1.635
  234   1HG1  VAL  29          HG11      VAL  29   2.927  -6.920   0.626
  235   2HG1  VAL  29          HG12      VAL  29   3.003  -5.407  -0.255
  236   3HG1  VAL  29          HG13      VAL  29   1.724  -5.643   0.941
  237   1HG2  VAL  29          HG21      VAL  29  -0.235  -8.167  -1.009
  238   2HG2  VAL  29          HG22      VAL  29   0.979  -8.555   0.201
  239   3HG2  VAL  29          HG23      VAL  29  -0.177  -7.239   0.502
  240    H    TYR  30           HN       TYR  30   0.676  -3.141  -1.101
  241    HA   TYR  30           HA       TYR  30   2.626  -2.489  -3.264
  242   1HB   TYR  30          HB2       TYR  30   0.546  -0.794  -1.872
  243   2HB   TYR  30          HB3       TYR  30   1.714  -0.229  -3.064
  244    HD1  TYR  30           HD1      TYR  30   1.192  -0.307  -5.360
  245    HD2  TYR  30           HD2      TYR  30  -1.040  -2.741  -2.612
  246    HE1  TYR  30           HE1      TYR  30  -0.324  -1.016  -7.202
  247    HE2  TYR  30           HE2      TYR  30  -2.456  -3.519  -4.453
  248    HH   TYR  30           HH       TYR  30  -2.262  -2.155  -7.742
  249    H    ASP  31           HN       ASP  31   4.702  -2.272  -2.412
  250    HA   ASP  31           HA       ASP  31   5.053  -1.421   0.390
  251   1HB   ASP  31          HB2       ASP  31   6.730  -2.821  -0.024
  252   2HB   ASP  31          HB3       ASP  31   6.940  -2.385  -1.758
  253    H    LEU  32           HN       LEU  32   4.660   0.643   0.836
  254    HA   LEU  32           HA       LEU  32   5.657   2.726  -1.094
  255   1HB   LEU  32          HB2       LEU  32   3.620   3.050   1.104
  256   2HB   LEU  32          HB3       LEU  32   3.966   4.174  -0.199
  257    HG   LEU  32           HG       LEU  32   2.666   1.423  -0.479
  258   1HD1  LEU  32          HD11      LEU  32   1.291   3.291   0.497
  259   2HD1  LEU  32          HD12      LEU  32   1.469   4.132  -1.063
  260   3HD1  LEU  32          HD13      LEU  32   0.650   2.553  -0.975
  261   1HD2  LEU  32          HD21      LEU  32   3.139   3.486  -2.682
  262   2HD2  LEU  32          HD22      LEU  32   4.101   2.017  -2.487
  263   3HD2  LEU  32          HD23      LEU  32   2.398   1.880  -2.847
  264    H    THR  33           HN       THR  33   7.091   1.004   1.144
  265    HA   THR  33           HA       THR  33   7.492   2.754   3.344
  266    HB   THR  33           HB       THR  33   9.519   0.800   2.180
  267    HG1  THR  33           HG1      THR  33   7.706  -0.291   2.402
  268   1HG2  THR  33          HG21      THR  33  10.381   2.240   4.039
  269   2HG2  THR  33          HG22      THR  33   9.000   1.749   5.040
  270   3HG2  THR  33          HG23      THR  33  10.208   0.549   4.525
  271    H    LYS  34           HN       LYS  34   9.371   2.463   0.287
  272    HA   LYS  34           HA       LYS  34  10.969   4.819   1.049
  273   1HB   LYS  34          HB2       LYS  34  11.691   2.575  -0.178
  274   2HB   LYS  34          HB3       LYS  34  11.194   3.465  -1.627
  275   1HG   LYS  34          HG2       LYS  34  12.748   5.326  -0.940
  276   2HG   LYS  34          HG3       LYS  34  13.182   4.392   0.508
  277   1HD   LYS  34          HD2       LYS  34  13.915   2.507  -1.013
  278   2HD   LYS  34          HD3       LYS  34  13.652   3.597  -2.393
  279   1HE   LYS  34          HE2       LYS  34  15.288   5.224  -1.368
  280   2HE   LYS  34          HE3       LYS  34  15.557   4.088  -0.035
  281   1HZ   LYS  34          HZ1       LYS  34  16.175   3.585  -2.870
  282   2HZ   LYS  34          HZ2       LYS  34  17.260   3.904  -1.677
  283   3HZ   LYS  34          HZ3       LYS  34  16.395   2.505  -1.645
  284    H    PHE  35           HN       PHE  35   7.930   4.849   0.302
  285    HA   PHE  35           HA       PHE  35   8.079   6.999  -1.768
  286   1HB   PHE  35          HB2       PHE  35   6.856   4.821  -2.347
  287   2HB   PHE  35          HB3       PHE  35   5.766   5.203  -1.040
  288    HD1  PHE  35           HD1      PHE  35   7.208   7.269  -3.874
  289    HD2  PHE  35           HD2      PHE  35   3.677   5.777  -1.883
  290    HE1  PHE  35           HE1      PHE  35   5.787   8.645  -5.347
  291    HE2  PHE  35           HE2      PHE  35   2.273   6.999  -3.462
  292    HZ   PHE  35           HZ       PHE  35   3.309   8.544  -5.145
  293    H    LEU  36           HN       LEU  36   7.388   6.282   1.557
  294    HA   LEU  36           HA       LEU  36   5.340   7.897   2.316
  295   1HB   LEU  36          HB2       LEU  36   8.080   7.627   3.640
  296   2HB   LEU  36          HB3       LEU  36   6.658   8.302   4.431
  297    HG   LEU  36           HG       LEU  36   6.985   5.438   3.454
  298   1HD1  LEU  36          HD11      LEU  36   6.692   6.626   6.243
  299   2HD1  LEU  36          HD12      LEU  36   6.888   4.905   5.842
  300   3HD1  LEU  36          HD13      LEU  36   8.208   6.041   5.523
  301   1HD2  LEU  36          HD21      LEU  36   4.801   5.125   4.699
  302   2HD2  LEU  36          HD22      LEU  36   4.556   6.870   4.589
  303   3HD2  LEU  36          HD23      LEU  36   4.673   5.889   3.110
  304    H    GLU  37           HN       GLU  37   8.713   9.165   2.013
  305    HA   GLU  37           HA       GLU  37   8.073  11.843   2.558
  306   1HB   GLU  37          HB2       GLU  37  10.338  10.564   0.945
  307   2HB   GLU  37          HB3       GLU  37  10.307  12.219   1.547
  308   1HG   GLU  37          HG2       GLU  37  10.215  11.430   3.873
  309   2HG   GLU  37          HG3       GLU  37  10.216   9.743   3.336
  310    H    GLU  38           HN       GLU  38   7.965   9.964  -0.444
  311    HA   GLU  38           HA       GLU  38   7.950  12.254  -2.210
  312   1HB   GLU  38          HB2       GLU  38   7.298   9.305  -2.573
  313   2HB   GLU  38          HB3       GLU  38   7.356  10.439  -3.912
  314   1HG   GLU  38          HG2       GLU  38   9.794  10.124  -2.122
  315   2HG   GLU  38          HG3       GLU  38   9.433   8.931  -3.374
  316    H    HIS  39           HN       HIS  39   5.543  10.046  -0.846
  317    HA   HIS  39           HA       HIS  39   3.465  10.559  -2.551
  318   1HB   HIS  39          HB2       HIS  39   3.539   8.760  -0.899
  319   2HB   HIS  39          HB3       HIS  39   3.321   9.924   0.411
  320    HD1  HIS  39           HD1      HIS  39   0.865  10.032   1.184
  321    HD2  HIS  39           HD2      HIS  39   1.361   8.976  -2.867
  322    HE1  HIS  39           HE1      HIS  39  -1.424   9.475   0.299
  323    HA   PRO  40           HA       PRO  40   2.871  14.908  -1.615
  324   1HB   PRO  40          HB2       PRO  40   0.651  15.411  -3.180
  325   2HB   PRO  40          HB3       PRO  40   2.296  15.244  -3.850
  326   1HG   PRO  40          HG2       PRO  40   0.161  13.155  -3.671
  327   2HG   PRO  40          HG3       PRO  40   1.191  13.567  -5.083
  328   1HD   PRO  40          HD2       PRO  40   1.756  11.471  -3.516
  329   2HD   PRO  40          HD3       PRO  40   3.093  12.519  -4.089
  330    H    GLY  41           HN       GLY  41   0.306  12.473  -1.272
  331   1HA   GLY  41          HA1       GLY  41  -1.483  14.047   0.328
  332   2HA   GLY  41          HA2       GLY  41  -1.418  12.284   0.216
  333    H    GLY  42           HN       GLY  42   1.702  12.965   1.135
  334   1HA   GLY  42          HA1       GLY  42   2.732  13.237   3.222
  335   2HA   GLY  42          HA2       GLY  42   1.166  13.324   4.031
  336    H    GLU  43           HN       GLU  43   3.229  11.770   4.999
  337    HA   GLU  43           HA       GLU  43   3.136   9.048   4.101
  338   1HB   GLU  43          HB2       GLU  43   4.655   8.651   5.972
  339   2HB   GLU  43          HB3       GLU  43   5.167   9.981   4.923
  340   1HG   GLU  43          HG2       GLU  43   4.464  11.627   6.619
  341   2HG   GLU  43          HG3       GLU  43   3.864  10.317   7.660
  342    H    GLU  44           HN       GLU  44   1.871  10.788   6.952
  343    HA   GLU  44           HA       GLU  44   1.020   8.557   8.398
  344   1HB   GLU  44          HB2       GLU  44   0.235  11.467   8.403
  345   2HB   GLU  44          HB3       GLU  44  -0.652  10.316   9.401
  346   1HG   GLU  44          HG2       GLU  44   2.368  10.337   9.557
  347   2HG   GLU  44          HG3       GLU  44   1.419  11.554  10.413
  348    H    VAL  45           HN       VAL  45  -0.668  10.247   5.764
  349    HA   VAL  45           HA       VAL  45  -3.208   9.101   6.321
  350    HB   VAL  45           HB       VAL  45  -2.309   9.824   3.508
  351   1HG1  VAL  45          HG11      VAL  45  -4.669  10.443   3.263
  352   2HG1  VAL  45          HG12      VAL  45  -4.618   8.805   3.925
  353   3HG1  VAL  45          HG13      VAL  45  -4.965  10.170   4.988
  354   1HG2  VAL  45          HG21      VAL  45  -3.145  11.702   5.769
  355   2HG2  VAL  45          HG22      VAL  45  -1.612  11.737   4.872
  356   3HG2  VAL  45          HG23      VAL  45  -3.120  12.148   4.052
  357    H    LEU  46           HN       LEU  46  -0.462   7.846   4.364
  358    HA   LEU  46           HA       LEU  46  -1.990   5.461   3.591
  359   1HB   LEU  46          HB2       LEU  46   0.990   5.309   3.558
  360   2HB   LEU  46          HB3       LEU  46  -0.222   4.681   2.474
  361    HG   LEU  46           HG       LEU  46  -0.510   7.304   1.860
  362   1HD1  LEU  46          HD11      LEU  46   1.185   8.119   3.356
  363   2HD1  LEU  46          HD12      LEU  46   2.363   6.889   2.863
  364   3HD1  LEU  46          HD13      LEU  46   1.923   8.176   1.753
  365   1HD2  LEU  46          HD21      LEU  46   0.013   5.427   0.308
  366   2HD2  LEU  46          HD22      LEU  46   0.958   6.876  -0.050
  367   3HD2  LEU  46          HD23      LEU  46   1.724   5.536   0.815
  368    H    ARG  47           HN       ARG  47   0.667   6.258   5.850
  369    HA   ARG  47           HA       ARG  47   1.086   3.712   6.891
  370   1HB   ARG  47          HB2       ARG  47   2.621   5.539   7.073
  371   2HB   ARG  47          HB3       ARG  47   1.507   6.438   8.094
  372   1HG   ARG  47          HG2       ARG  47   2.138   3.767   9.223
  373   2HG   ARG  47          HG3       ARG  47   3.585   4.748   8.914
  374   1HD   ARG  47          HD3       ARG  47   2.585   6.666  10.076
  375   2HD   ARG  47          HD2       ARG  47   1.136   5.706  10.459
  376    HE   ARG  47           HE       ARG  47   3.509   4.377  11.418
  377   1HH1  ARG  47          HH22      ARG  47   1.605   7.323  12.035
  378   2HH1  ARG  47          HH21      ARG  47   1.982   7.390  13.716
  379   1HH2  ARG  47          HH12      ARG  47   4.124   4.495  13.487
  380   2HH2  ARG  47          HH11      ARG  47   3.487   5.675  14.630
  381    H    ALA  48           HN       ALA  48  -1.313   6.127   7.947
  382    HA   ALA  48           HA       ALA  48  -2.318   4.864  10.241
  383   1HB   ALA  48          HB1       ALA  48  -3.003   7.097   9.549
  384   2HB   ALA  48          HB2       ALA  48  -3.749   6.458   8.068
  385   3HB   ALA  48          HB3       ALA  48  -4.434   6.059   9.661
  386    H    GLN  49           HN       GLN  49  -2.952   4.126   6.791
  387    HA   GLN  49           HA       GLN  49  -4.999   2.090   7.519
  388   1HB   GLN  49          HB2       GLN  49  -4.021   2.916   4.774
  389   2HB   GLN  49          HB3       GLN  49  -5.455   1.961   5.189
  390   1HG   GLN  49          HG2       GLN  49  -5.026   4.926   5.783
  391   2HG   GLN  49          HG3       GLN  49  -6.050   4.220   4.539
  392   1HE2  GLN  49          HE21      GLN  49  -5.742   4.796   8.019
  393   2HE2  GLN  49          HE22      GLN  49  -7.416   4.419   8.389
  394    H    ALA  50           HN       ALA  50  -1.630   2.397   6.681
  395    HA   ALA  50           HA       ALA  50  -1.090  -0.002   5.407
  396   1HB   ALA  50          HB1       ALA  50   1.192   0.247   6.148
  397   2HB   ALA  50          HB2       ALA  50   0.486   1.818   5.730
  398   3HB   ALA  50          HB3       ALA  50   0.693   1.354   7.446
  399    H    GLY  51           HN       GLY  51  -0.273  -2.023   6.033
  400   1HA   GLY  51          HA1       GLY  51  -0.385  -3.958   7.282
  401   2HA   GLY  51          HA2       GLY  51  -1.068  -3.091   8.669
  402    H    GLY  52           HN       GLY  52  -3.106  -1.791   6.615
  403   1HA   GLY  52          HA1       GLY  52  -5.044  -4.074   6.711
  404   2HA   GLY  52          HA2       GLY  52  -5.403  -2.362   6.981
  405    H    ASP  53           HN       ASP  53  -6.985  -3.190   5.223
  406    HA   ASP  53           HA       ASP  53  -5.893  -2.790   2.513
  407   1HB   ASP  53          HB2       ASP  53  -7.515  -4.490   2.403
  408   2HB   ASP  53          HB3       ASP  53  -8.552  -3.721   3.584
  409    H    ALA  54           HN       ALA  54  -6.294  -1.079   1.296
  410    HA   ALA  54           HA       ALA  54  -7.670   1.255   2.553
  411   1HB   ALA  54          HB1       ALA  54  -5.845   2.747   1.843
  412   2HB   ALA  54          HB2       ALA  54  -5.243   1.502   2.953
  413   3HB   ALA  54          HB3       ALA  54  -4.931   1.355   1.222
  414    H    THR  55           HN       THR  55  -8.111  -0.848   0.219
  415    HA   THR  55           HA       THR  55  -8.057   0.401  -2.248
  416    HB   THR  55           HB       THR  55 -10.269  -1.382  -1.143
  417    HG1  THR  55           HG1      THR  55  -8.317  -2.379  -1.002
  418   1HG2  THR  55          HG21      THR  55 -10.969  -0.327  -3.271
  419   2HG2  THR  55          HG22      THR  55  -9.393  -0.717  -3.991
  420   3HG2  THR  55          HG23      THR  55 -10.521  -2.018  -3.554
  421    H    ALA  56           HN       ALA  56 -10.783   0.607   0.101
  422    HA   ALA  56           HA       ALA  56 -12.389   2.357  -1.353
  423   1HB   ALA  56          HB1       ALA  56 -12.024   2.232   1.680
  424   2HB   ALA  56          HB2       ALA  56 -13.404   2.957   0.828
  425   3HB   ALA  56          HB3       ALA  56 -13.113   1.210   0.714
  426    H    ASN  57           HN       ASN  57  -9.734   3.242   0.902
  427    HA   ASN  57           HA       ASN  57 -10.134   6.083   0.707
  428   1HB   ASN  57          HB2       ASN  57  -7.596   4.505   1.270
  429   2HB   ASN  57          HB3       ASN  57  -7.810   6.245   1.488
  430   1HD2  ASN  57          HD21      ASN  57  -8.093   3.182   2.994
  431   2HD2  ASN  57          HD22      ASN  57  -8.787   3.771   4.487
  432    H    PHE  58           HN       PHE  58  -8.177   3.712  -1.153
  433    HA   PHE  58           HA       PHE  58  -6.567   5.660  -2.522
  434   1HB   PHE  58          HB2       PHE  58  -5.894   3.354  -2.233
  435   2HB   PHE  58          HB3       PHE  58  -7.309   2.774  -3.102
  436    HD1  PHE  58           HD1      PHE  58  -7.107   2.194  -5.358
  437    HD2  PHE  58           HD2      PHE  58  -4.231   4.904  -3.611
  438    HE1  PHE  58           HE1      PHE  58  -5.683   1.946  -7.333
  439    HE2  PHE  58           HE2      PHE  58  -2.878   4.789  -5.681
  440    HZ   PHE  58           HZ       PHE  58  -3.576   3.261  -7.540
  441    H    GLU  59           HN       GLU  59  -9.576   3.912  -3.246
  442    HA   GLU  59           HA       GLU  59  -9.935   5.087  -5.850
  443   1HB   GLU  59          HB2       GLU  59 -11.777   3.536  -3.980
  444   2HB   GLU  59          HB3       GLU  59 -12.118   3.885  -5.687
  445   1HG   GLU  59          HG2       GLU  59  -9.588   2.387  -4.782
  446   2HG   GLU  59          HG3       GLU  59 -11.074   1.598  -5.202
  447    H    ALA  60           HN       ALA  60 -11.242   5.817  -2.579
  448    HA   ALA  60           HA       ALA  60 -13.024   7.879  -3.311
  449   1HB   ALA  60          HB1       ALA  60 -12.891   6.964  -1.039
  450   2HB   ALA  60          HB2       ALA  60 -11.265   7.651  -0.834
  451   3HB   ALA  60          HB3       ALA  60 -12.666   8.724  -1.017
  452    H    VAL  61           HN       VAL  61  -9.492   8.027  -2.656
  453    HA   VAL  61           HA       VAL  61  -9.257  10.847  -3.283
  454    HB   VAL  61           HB       VAL  61  -7.279   8.563  -3.054
  455   1HG1  VAL  61          HG11      VAL  61  -6.712  11.535  -3.466
  456   2HG1  VAL  61          HG12      VAL  61  -5.534  10.361  -2.862
  457   3HG1  VAL  61          HG13      VAL  61  -6.155  10.187  -4.490
  458   1HG2  VAL  61          HG21      VAL  61  -7.829  10.944  -1.234
  459   2HG2  VAL  61          HG22      VAL  61  -8.453   9.309  -0.955
  460   3HG2  VAL  61          HG23      VAL  61  -6.711   9.600  -0.924
  461    H    GLY  62           HN       GLY  62  -9.930   8.189  -5.351
  462   1HA   GLY  62          HA1       GLY  62 -10.160   8.173  -7.609
  463   2HA   GLY  62          HA2       GLY  62  -9.515   9.816  -7.722
  464    H    HIS  63           HN       HIS  63  -7.104   9.932  -7.086
  465    HA   HIS  63           HA       HIS  63  -4.966   9.587  -7.735
  466   1HB   HIS  63          HB2       HIS  63  -5.712   6.657  -7.380
  467   2HB   HIS  63          HB3       HIS  63  -4.114   7.198  -7.841
  468    HD1  HIS  63           HD1      HIS  63  -6.377   7.103  -4.784
  469    HD2  HIS  63           HD2      HIS  63  -2.594   8.383  -6.057
  470    HE1  HIS  63           HE1      HIS  63  -5.020   7.577  -2.662
  471    H    SER  64           HN       SER  64  -4.244  10.204  -9.702
  472    HA   SER  64           HA       SER  64  -5.600   9.725 -12.121
  473   1HB   SER  64          HB2       SER  64  -2.648  10.372 -11.752
  474   2HB   SER  64          HB3       SER  64  -3.636  10.668 -13.193
  475    HG   SER  64           HG       SER  64  -3.733  11.907 -10.651
  476    H    THR  65           HN       THR  65  -5.122   8.445 -14.001
  477    HA   THR  65           HA       THR  65  -4.574   5.773 -13.830
  478    HB   THR  65           HB       THR  65  -3.627   7.644 -16.058
  479    HG1  THR  65           HG1      THR  65  -5.781   7.581 -16.749
  480   1HG2  THR  65          HG21      THR  65  -4.329   5.794 -17.540
  481   2HG2  THR  65          HG22      THR  65  -3.107   5.233 -16.387
  482   3HG2  THR  65          HG23      THR  65  -4.817   4.828 -16.130
  483    H    ASP  66           HN       ASP  66  -2.272   8.427 -14.264
  484    HA   ASP  66           HA       ASP  66   0.131   6.961 -14.536
  485   1HB   ASP  66          HB2       ASP  66  -0.144   9.664 -13.108
  486   2HB   ASP  66          HB3       ASP  66   1.159   9.111 -14.155
  487    H    ALA  67           HN       ALA  67  -1.565   8.170 -11.643
  488    HA   ALA  67           HA       ALA  67   0.457   7.389  -9.742
  489   1HB   ALA  67          HB1       ALA  67  -2.519   7.813  -9.314
  490   2HB   ALA  67          HB2       ALA  67  -1.276   7.687  -8.061
  491   3HB   ALA  67          HB3       ALA  67  -1.265   9.056  -9.194
  492    H    ARG  68           HN       ARG  68  -2.503   5.874 -11.026
  493    HA   ARG  68           HA       ARG  68  -2.433   3.434  -9.517
  494   1HB   ARG  68          HB2       ARG  68  -3.800   4.436 -11.986
  495   2HB   ARG  68          HB3       ARG  68  -3.529   2.711 -11.940
  496   1HG   ARG  68          HG2       ARG  68  -5.667   3.079 -11.102
  497   2HG   ARG  68          HG3       ARG  68  -4.677   2.570  -9.732
  498   1HD   ARG  68          HD2       ARG  68  -4.590   4.891  -8.905
  499   2HD   ARG  68          HD3       ARG  68  -5.284   5.477 -10.400
  500    HE   ARG  68           HE       ARG  68  -6.706   3.921  -8.248
  501   1HH1  ARG  68          HH22      ARG  68  -7.088   6.406 -10.636
  502   2HH1  ARG  68          HH21      ARG  68  -8.671   5.933 -11.165
  503   1HH2  ARG  68          HH12      ARG  68  -8.919   3.528  -8.554
  504   2HH2  ARG  68          HH11      ARG  68  -9.836   4.399  -9.727
  505    H    GLU  69           HN       GLU  69  -1.088   4.254 -12.704
  506    HA   GLU  69           HA       GLU  69   0.216   1.823 -13.284
  507   1HB   GLU  69          HB2       GLU  69   0.568   4.681 -14.130
  508   2HB   GLU  69          HB3       GLU  69   1.646   3.454 -14.723
  509   1HG   GLU  69          HG2       GLU  69  -1.395   3.505 -15.034
  510   2HG   GLU  69          HG3       GLU  69  -0.152   3.703 -16.269
  511    H    LEU  70           HN       LEU  70   1.382   4.771 -11.573
  512    HA   LEU  70           HA       LEU  70   4.028   3.876 -11.062
  513   1HB   LEU  70          HB2       LEU  70   3.632   6.162 -10.827
  514   2HB   LEU  70          HB3       LEU  70   2.162   5.917  -9.899
  515    HG   LEU  70           HG       LEU  70   3.421   5.165  -7.967
  516   1HD1  LEU  70          HD11      LEU  70   5.881   6.032  -9.552
  517   2HD1  LEU  70          HD12      LEU  70   5.839   5.649  -7.816
  518   3HD1  LEU  70          HD13      LEU  70   5.527   4.378  -9.005
  519   1HD2  LEU  70          HD21      LEU  70   4.252   7.415  -7.349
  520   2HD2  LEU  70          HD22      LEU  70   4.204   7.899  -9.056
  521   3HD2  LEU  70          HD23      LEU  70   2.699   7.505  -8.200
  522    H    SER  71           HN       SER  71   0.981   3.463  -9.131
  523    HA   SER  71           HA       SER  71   1.990   2.134  -6.954
  524   1HB   SER  71          HB2       SER  71  -0.537   1.249  -8.351
  525   2HB   SER  71          HB3       SER  71  -0.142   1.251  -6.626
  526    HG   SER  71           HG       SER  71  -1.436   3.038  -7.157
  527    H    LYS  72           HN       LYS  72   1.691   0.780 -10.274
  528    HA   LYS  72           HA       LYS  72   2.017  -1.968  -9.546
  529   1HB   LYS  72          HB2       LYS  72   2.947  -0.580 -12.073
  530   2HB   LYS  72          HB3       LYS  72   2.820  -2.319 -11.814
  531   1HG   LYS  72          HG2       LYS  72   0.391  -2.172 -11.504
  532   2HG   LYS  72          HG3       LYS  72   0.454  -0.401 -11.672
  533   1HD   LYS  72          HD2       LYS  72   1.425  -0.619 -13.912
  534   2HD   LYS  72          HD3       LYS  72   1.350  -2.393 -13.814
  535   1HE   LYS  72          HE2       LYS  72  -1.115  -2.329 -13.752
  536   2HE   LYS  72          HE3       LYS  72  -1.076  -0.567 -13.539
  537   1HZ   LYS  72          HZ1       LYS  72  -1.412  -0.586 -15.691
  538   2HZ   LYS  72          HZ2       LYS  72   0.146  -0.539 -15.708
  539   3HZ   LYS  72          HZ3       LYS  72  -0.572  -2.013 -16.032
  540    H    THR  73           HN       THR  73   4.407   0.687 -10.084
  541    HA   THR  73           HA       THR  73   6.731  -0.871 -10.033
  542    HB   THR  73           HB       THR  73   6.435   1.908  -8.846
  543    HG1  THR  73           HG1      THR  73   6.332   2.673 -10.923
  544   1HG2  THR  73          HG21      THR  73   8.723   0.927  -8.842
  545   2HG2  THR  73          HG22      THR  73   8.590   0.618 -10.587
  546   3HG2  THR  73          HG23      THR  73   8.608   2.285  -9.975
  547    H    PHE  74           HN       PHE  74   4.484  -0.140  -7.439
  548    HA   PHE  74           HA       PHE  74   6.454  -0.887  -5.331
  549   1HB   PHE  74          HB2       PHE  74   3.682   0.350  -5.179
  550   2HB   PHE  74          HB3       PHE  74   4.746   0.037  -3.824
  551    HD1  PHE  74           HD1      PHE  74   7.372   1.008  -4.602
  552    HD2  PHE  74           HD2      PHE  74   3.479   2.698  -5.358
  553    HE1  PHE  74           HE1      PHE  74   8.402   3.203  -5.008
  554    HE2  PHE  74           HE2      PHE  74   4.508   4.911  -5.673
  555    HZ   PHE  74           HZ       PHE  74   6.967   5.201  -5.405
  556    H    ILE  75           HN       ILE  75   4.127  -2.380  -7.305
  557    HA   ILE  75           HA       ILE  75   2.878  -4.045  -5.296
  558    HB   ILE  75           HB       ILE  75   3.211  -4.189  -8.277
  559   1HG1  ILE  75          HG12      ILE  75   0.862  -3.863  -6.364
  560   2HG1  ILE  75          HG13      ILE  75   1.604  -2.625  -7.389
  561   1HG2  ILE  75          HG21      ILE  75   1.815  -6.261  -6.482
  562   2HG2  ILE  75          HG22      ILE  75   1.765  -6.251  -8.258
  563   3HG2  ILE  75          HG23      ILE  75   3.272  -6.581  -7.444
  564   1HD1  ILE  75          HD11      ILE  75  -0.092  -4.991  -8.211
  565   2HD1  ILE  75          HD12      ILE  75  -0.357  -3.273  -8.548
  566   3HD1  ILE  75          HD13      ILE  75   0.947  -4.140  -9.384
  567    H    ILE  76           HN       ILE  76   4.095  -5.164  -3.992
  568    HA   ILE  76           HA       ILE  76   6.581  -6.519  -5.018
  569    HB   ILE  76           HB       ILE  76   7.068  -6.903  -2.601
  570   1HG1  ILE  76          HG12      ILE  76   5.102  -4.662  -2.016
  571   2HG1  ILE  76          HG13      ILE  76   4.608  -6.356  -1.900
  572   1HG2  ILE  76          HG21      ILE  76   8.183  -5.193  -3.965
  573   2HG2  ILE  76          HG22      ILE  76   6.911  -4.023  -3.581
  574   3HG2  ILE  76          HG23      ILE  76   7.986  -4.627  -2.306
  575   1HD1  ILE  76          HD11      ILE  76   6.939  -5.136  -0.363
  576   2HD1  ILE  76          HD12      ILE  76   5.328  -5.491   0.278
  577   3HD1  ILE  76          HD13      ILE  76   6.377  -6.815  -0.260
  578    H    GLY  77           HN       GLY  77   3.262  -7.170  -4.181
  579   1HA   GLY  77          HA1       GLY  77   3.539  -9.846  -5.022
  580   2HA   GLY  77          HA2       GLY  77   3.508  -9.799  -3.242
  581    H    GLU  78           HN       GLU  78   1.507 -11.139  -4.098
  582    HA   GLU  78           HA       GLU  78  -0.864  -9.340  -4.175
  583   1HB   GLU  78          HB2       GLU  78  -0.695 -12.269  -4.823
  584   2HB   GLU  78          HB3       GLU  78  -2.165 -11.344  -4.589
  585   1HG   GLU  78          HG2       GLU  78  -0.739  -9.881  -6.539
  586   2HG   GLU  78          HG3       GLU  78  -0.587 -11.578  -6.982
  587    H    LEU  79           HN       LEU  79  -2.687 -10.023  -2.760
  588    HA   LEU  79           HA       LEU  79  -1.965 -10.679  -0.043
  589   1HB   LEU  79          HB2       LEU  79  -3.917  -9.278  -0.728
  590   2HB   LEU  79          HB3       LEU  79  -4.593 -10.670  -1.588
  591    HG   LEU  79           HG       LEU  79  -4.817 -11.888   0.591
  592   1HD1  LEU  79          HD11      LEU  79  -3.923  -9.181   1.669
  593   2HD1  LEU  79          HD12      LEU  79  -4.702 -10.433   2.659
  594   3HD1  LEU  79          HD13      LEU  79  -3.112 -10.743   1.941
  595   1HD2  LEU  79          HD21      LEU  79  -6.151  -9.164   0.432
  596   2HD2  LEU  79          HD22      LEU  79  -6.669 -10.626  -0.437
  597   3HD2  LEU  79          HD23      LEU  79  -6.752 -10.574   1.334
  598    H    HIS  80           HN       HIS  80  -1.753 -12.786   0.812
  599    HA   HIS  80           HA       HIS  80  -1.722 -15.010  -0.826
  600   1HB   HIS  80          HB2       HIS  80  -0.939 -14.609   1.680
  601   2HB   HIS  80          HB3       HIS  80  -2.464 -15.384   2.081
  602    HD1  HIS  80           HD1      HIS  80  -2.537 -18.103   1.407
  603    HD2  HIS  80           HD2      HIS  80   1.006 -15.980   0.508
  604    HE1  HIS  80           HE1      HIS  80  -0.910 -19.776   0.652
  605    HA   PRO  81           HA       PRO  81  -5.957 -15.792  -1.689
  606   1HB   PRO  81          HB2       PRO  81  -5.990 -18.576  -2.029
  607   2HB   PRO  81          HB3       PRO  81  -5.552 -17.334  -3.232
  608   1HG   PRO  81          HG2       PRO  81  -3.715 -18.915  -1.394
  609   2HG   PRO  81          HG3       PRO  81  -3.498 -18.621  -3.146
  610   1HD   PRO  81          HD2       PRO  81  -2.165 -17.150  -1.354
  611   2HD   PRO  81          HD3       PRO  81  -2.913 -16.335  -2.752
  612    H    ASP  82           HN       ASP  82  -4.453 -17.973   0.809
  613    HA   ASP  82           HA       ASP  82  -6.689 -18.732   2.167
  614   1HB   ASP  82          HB2       ASP  82  -4.078 -17.742   3.383
  615   2HB   ASP  82          HB3       ASP  82  -5.248 -18.829   4.142
  616    H    ASP  83           HN       ASP  83  -5.449 -15.424   1.967
  617    HA   ASP  83           HA       ASP  83  -7.185 -14.479   4.189
  618   1HB   ASP  83          HB2       ASP  83  -4.972 -13.178   2.552
  619   2HB   ASP  83          HB3       ASP  83  -5.948 -12.338   3.760
  620    H    ARG  84           HN       ARG  84  -7.563 -15.066   0.838
  621    HA   ARG  84           HA       ARG  84  -8.620 -12.374   0.248
  622   1HB   ARG  84          HB2       ARG  84  -6.881 -13.542  -1.101
  623   2HB   ARG  84          HB3       ARG  84  -8.130 -14.691  -1.635
  624   1HG   ARG  84          HG2       ARG  84  -9.495 -12.756  -2.477
  625   2HG   ARG  84          HG3       ARG  84  -8.192 -11.656  -2.019
  626   1HD   ARG  84          HD2       ARG  84  -8.096 -13.861  -4.118
  627   2HD   ARG  84          HD3       ARG  84  -8.113 -12.108  -4.397
  628    HE   ARG  84           HE       ARG  84  -5.887 -13.162  -2.758
  629   1HH1  ARG  84          HH22      ARG  84  -6.778 -12.113  -6.097
  630   2HH1  ARG  84          HH21      ARG  84  -5.048 -12.020  -6.506
  631   1HH2  ARG  84          HH12      ARG  84  -3.742 -13.093  -3.545
  632   2HH2  ARG  84          HH11      ARG  84  -3.521 -12.638  -5.248
  633    HHA  HEM 201           HGM      HEM 201  -2.500  12.916  -4.000
  634    HHB  HEM 201           HDM      HEM 201   0.929   7.991  -6.392
  635    HHC  HEM 201           HAM      HEM 201  -1.544   4.125  -1.881
  636    HHD  HEM 201           HBM      HEM 201  -4.520   9.149   0.849
  637   1HMA  HEM 201          HM81      HEM 201   1.400  11.650  -7.330
  638   2HMA  HEM 201          HM82      HEM 201   1.738   9.926  -7.242
  639   3HMA  HEM 201          HM83      HEM 201   0.392  10.516  -8.247
  640   1HAA  HEM 201          HP72      HEM 201  -0.520  12.988  -7.281
  641   2HAA  HEM 201          HP71      HEM 201  -1.168  13.666  -5.806
  642   1HBA  HEM 201          HP74      HEM 201  -3.204  11.892  -6.593
  643   2HBA  HEM 201          HP73      HEM 201  -3.188  13.634  -6.872
  644   1HMB  HEM 201          HM11      HEM 201   1.652   4.227  -6.015
  645   2HMB  HEM 201          HM13      HEM 201   2.326   5.861  -6.023
  646   3HMB  HEM 201          HM12      HEM 201   0.967   5.446  -7.092
  647    HAB  HEM 201          HT2A      HEM 201   0.758   3.163  -3.119
  648   1HBB  HEM 201          HV2T      HEM 201  -0.859   1.546  -3.650
  649   2HBB  HEM 201          HV2C      HEM 201  -1.496   2.610  -5.035
  650   1HMC  HEM 201          HM32      HEM 201  -3.315   4.076   1.541
  651   2HMC  HEM 201          HM33      HEM 201  -3.543   3.443  -0.100
  652   3HMC  HEM 201          HM31      HEM 201  -1.906   3.748   0.524
  653    HAC  HEM 201          HT4A      HEM 201  -3.510   7.391   2.590
  654   1HBC  HEM 201          HV4C      HEM 201  -5.546   5.233   1.899
  655   2HBC  HEM 201          HV4T      HEM 201  -5.527   6.334   3.410
  656   1HMD  HEM 201          HM51      HEM 201  -5.365  12.873   0.478
  657   2HMD  HEM 201          HM52      HEM 201  -5.703  11.187   0.862
  658   3HMD  HEM 201          HM53      HEM 201  -4.221  11.952   1.484
  659   1HAD  HEM 201          HP62      HEM 201  -3.029  14.220  -2.195
  660   2HAD  HEM 201          HP61      HEM 201  -3.930  14.183  -0.701
  661   1HBD  HEM 201          HP63      HEM 201  -5.099  13.837  -3.488
  662   2HBD  HEM 201          HP64      HEM 201  -6.023  13.702  -1.979