*HEADER   ELECTRON TRANSPORT                      05-MAY-98   1PFD    
*TITLE    THE SOLUTION STRUCTURE OF HIGH PLANT PARSLEY [2FE-2S]       
*TITLE   2 FERREDOXIN, NMR, 18 STRUCTURES                             
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: FERREDOXIN;                                      
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 EC: 1.7.7.2                                                
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: PETROSELINUM CRISPUM;                 
*SOURCE  3 ORGANISM_COMMON: PARSLEY;                                  
*SOURCE  4 ORGAN: LEAVES                                              
*KEYWDS   [2FE-2S] FERREDOXIN, SOLUTION STRUCTURE, PARAMAGNETISM,     
*KEYWDS  2 NUCLEAR RELAXATION, ELECTRON TRANSPORT                     
*EXPDTA   NMR, 18 STRUCTURES                                          
*AUTHOR   S.-C.IM,G.LIU,C.LUCHINAT,A.G.SYKES,I.BERTINI                
*REVDAT  1   11-MAY-99 1PFD    0                                      
 
  39 CYSS
         SG     44 CYSF FE      2.40
         SG     44 CYSF SG      3.90
         SG     44 CYSF SE      3.90
         SG     77 CYSF SE      3.90
  44 CYSF
         SG     77 CYSF SE      3.90
         FE     77 CYSF FE      2.90
         FE     77 CYSF SE      2.45
         SE     47 CYSS SG      3.90
         SE     77 CYSF FE      2.45
         SE     77 CYSF SE      3.90
         SE     77 CYSF SG      3.90
  47 CYSS
         SG     77 CYSF FE      2.40
         SG     77 CYSF SE      3.90
         SG     77 CYSF SG      3.90
  1 ALA  
         HA      1 ALA  QB      3.30  #   s 2M   86570.0  e   liu908   125
         HA      2 THR  HN      3.50  #     2    97450.0  e   liu908   124
         HA      2 THR  HA      5.50  #     2     2859.0  e   liu908  2003
         HA      2 THR  HB      5.50  #     2     2842.0  e   liu908  2002
         HA      3 TYR  QE      8.00  # r w 5      422.0*2e   liu908  8418
         HA     19 ASP- HA      6.00  #   w 4      176.0  e   liu908  9082
         HA     20 ASP- HN      6.00  #   w 4     1156.0  e   liu908  9086
         HA     20 ASP- HB3     6.00  #   w 5       60.0  e   liu908  9087
         QB      2 THR  HN      4.30  #     2M   30900.0  e   liu908   127
         QB      2 THR  HA      7.00  #   w 2M     442.0  e   liu908  9088
         QB      2 THR  HB      7.00  #   w 5M    4144.0  e   liu908  9089
         QB      3 TYR  HN      6.60  #     3M    1235.0  e   liu908  9090
         QB      3 TYR  QD      9.00  # r w 5M    1528.5*2e   liu908  2017
         QB      3 TYR  QE      7.70  # r   5M   19715.0*2e   liu908  2021
         QB     20 ASP- HN      7.00  #   w 5M    4869.0  e   liu908  4504
         QB     20 ASP- HB2     6.70  #     5M    7344.0  e   liu908  4506
         QB     20 ASP- HB3     6.50  #     5M    9464.0  e   liu908  4505
  2 THR  
         HN      2 THR  HA      4.10  #     2    18850.0  e   liu908    76
         HN      2 THR  HB      3.70  #     2    64980.0  e   liu908   111
         HN      2 THR  QG2     6.30  #     1M    5250.0  e   liu908   112
         HN      2 THR  HG1     3.90  #     1     7528.0  e   liu908  6948
         HN      3 TYR  HN      5.30  #     2     3834.0  e   liu908    87
         HN      3 TYR  HA      5.80  #     2     2129.0  e   liu908  2010
         HN      3 TYR  HB2     6.00  #   w 2      365.0  e   liu908  9095
         HN      3 TYR  QD      8.00  # r w 5       26.5*2e   liu908  9096
         HN      3 TYR  QE      8.00  # r w 5      641.0*2e   liu908  2009
         HN     18 CYS  HN      6.00  #   w 4      109.0  e   liu908  9111
         HN     19 ASP- HA      4.70  #     4     6804.0  e   liu908  4517
         HN     19 ASP- HB2     6.00 >#   w 5      177.0  e   liu908  9098
         HN     19 ASP- HB3     6.00 <#   w 5      699.0  e   liu908  9097
         HN     20 ASP- HN      3.60  #     4    37510.0  e   liu908  9101
         HN     20 ASP- HA      6.00  #   w 4      125.0  e   liu908  9102
         HN     20 ASP- HB2     6.00 >#   w 5      177.0  e   liu908  9103
         HN     21 ASP- HN      5.30  #     4     5499.0  e   liu908  9105
         HA      2 THR  HB      3.90  #     2    22450.0  e   liu908   113
         HA      2 THR  QG2     4.00  #     1M   76690.0  e   liu908   114
         HA      2 THR  HG1     5.00  #     1     1607.0  e   liu908  7014
         HA      3 TYR  HN      2.90  #     2   146800.0  e   liu908    86
         HA      3 TYR  QD      8.00  # r w 5      684.5*2e   liu908  9106
         HA      3 TYR  QE      6.30  # r   5     7560.0*2e   liu908  2012
         HA     17 LYS+ HB3     6.00  #   w 5      339.0  e   liu908  9108
         HA     18 CYS  HN      5.00  #     4     5254.0  e   liu908  4511
         HA     18 CYS  HA      5.30  #     4     3642.0  e   liu908  9109
         HA     18 CYS  HB3     5.90  #     5     1056.0  e   liu908  4514
         HA     19 ASP- HN      4.50  #     4    10000.0  e   liu908  8244
         HA     19 ASP- HA      3.90  #     4    22110.0  e   liu908  4518
         HA     19 ASP- HB3     4.80  #     5     3653.0  e   liu908  8251
         HA     20 ASP- HN      4.10  #     4    17730.0  e   liu908  4522
         HA     20 ASP- HA      6.00  #   w 4      132.0  e   liu908  8236
         HA     20 ASP- HB3     6.00  #   w 5      312.0  e   liu908  8241
         HB      2 THR  QG2     3.60  #     1M  151300.0  e   liu908   118
         HB      2 THR  HG1     4.00  #     1     6435.0  e   liu908  6945
         HB      3 TYR  HN      5.00  #     2     5296.0  e   liu908  2007
         HB      3 TYR  HA      5.90  #     2     1974.0  e   liu908  2013
         HB     17 LYS+ HB3     6.00  #   w 5      905.0  e   liu908  9112
         HB     17 LYS+ QG      7.00  # m w 5      248.5*2e   liu908  9113
         HB     19 ASP- HA      5.30  #     5     2116.0  e   liu908  9114
         HB     19 ASP- HB3     6.00  #   w 5      442.0  e   liu908  9115
         HB     20 ASP- HN      6.00  #     5     1014.0  e   liu908  9116
         QG2     2 THR  HG1     5.50  #     1M   12030.0  e   liu908  6949
         QG2     3 TYR  HN      4.80  #     5M   61130.0  e   liu908  2005
         QG2     3 TYR  HA      7.00  #   w 5M    2617.0  e   liu908  2016
         QG2     3 TYR  QD      9.00  # r w 5M     512.5*2e   liu908  2019
         QG2     3 TYR  QE      8.80  # r   5M    7190.0*2e   liu908  2022
         QG2    17 LYS+ HN      7.00  #   w 5M    2735.0  e   liu908  4515
         QG2    17 LYS+ HA      6.40  #     5M    9575.0  e   liu908  4516
         QG2    17 LYS+ HB2     6.90 >#     5M    6502.0  e   liu908  8287
         QG2    17 LYS+ HB3     4.50 <#     5M   87010.0  e   liu908  8289
         QG2    17 LYS+ QG      6.50  # m   5M   25680.0*2e   liu908  8291
         QG2    17 LYS+ HD2     5.00  #     5M   44650.0  e   liu908  8293
         QG2    17 LYS+ HD3     5.30  #     5M   32030.0  e   liu908  8290
         QG2    17 LYS+ QE      8.00  # m w 5M    3028.0*2e   liu908  8297
         QG2    18 CYS  HN      5.20  #     5M   35690.0  e   liu908  4512
         QG2    18 CYS  HA      6.20  #     5M   12560.0  e   liu908  8263
         QG2    19 ASP- HN      7.00  #   w 5M    4002.0  e   liu908  8246
         QG2    19 ASP- HA      5.30  #     5M   30010.0  e   liu908  4520
         QG2    19 ASP- HB3     7.00  #   w 5M     528.0  e   liu908  8253
         QG2    20 ASP- HN      7.00  #   w 5M    1016.0  e   liu908  8234
         QG2    27 GLN  QG      8.00  # m w 5M     866.5*2e   liu908  9119
         HG1    19 ASP- HA      4.30  #     5     7896.0  e   liu908  8250
         HG1    19 ASP- HB3     6.00  #   w 5      624.0  e   liu908  9118
         HG1    20 ASP- HN      4.20  #     5     8441.0  e   liu908  9117
  3 TYR  
         HN      3 TYR  HA      3.50  #     2    43900.0  e   liu908    85
         HN      3 TYR  HB2     3.50  #     2    45040.0  e   liu908   133
         HN      3 TYR  HB3     4.00  #     2    19100.0  e   liu908   128
         HN      3 TYR  QD      6.00  # r   1     6245.0*2e   liu908   144
         HN      3 TYR  QE      6.20  # m   1     1260.5*2e   liu908   143
         HN      4 ASN  HN      4.90  #     2     6079.0  e   liu908  2023
         HN      5 VAL  HN      6.00  #   w 3     1407.0  e   liu908  9120
         HN      5 VAL  QG2     6.70  #     5M    7331.0  e   liu908  4526
         HN     17 LYS+ HA      4.80  #     4    11270.0  e   liu908  8299
         HN     17 LYS+ HB3     6.00  #   w 5      907.0  e   liu908  8302
         HN     17 LYS+ HD3     6.00  #   w 5      617.0  e   liu908  8303
         HN     18 CYS  HN      3.60  #     4    38280.0  e   liu908  4534
         HN     18 CYS  HA      5.20  #     4     4141.0  e   liu908  8266
         HN     18 CYS  HB2     6.00  #   w 5         .0  e   liu908  8267
         HN     18 CYS  HB3     4.80  #     5     3585.0  e   liu908  4536
         HN     19 ASP- HN      5.50  #     4     2678.0  e   liu908  4544
         HN     19 ASP- HA      3.80  #     4    27050.0  e   liu908  4542
         HN     20 ASP- HN      5.30  #     4     3614.0  e   liu908  4547
         HN     20 ASP- HA      5.80  #     4     2114.0  e   liu908  4549
         HN     81 PRO  HB2     4.60  #     5     5132.0  e   liu908  9121
         HN     81 PRO  HG2     5.00  #     5     2998.0  e   liu908  4560
         HN     81 PRO  HG3     5.70  #     5     1351.0  e   liu908  7545
         HN     84 ASP- HA      6.00  #   w 4      849.0  e   liu908  4579
         HA      3 TYR  HB2     3.70  #     2    34260.0  e   liu908   132
         HA      3 TYR  HB3     3.20  #     2    80670.0  e   liu908   134
         HA      3 TYR  QD      4.50  # m   1    14100.0*2e   liu908   140
         HA      3 TYR  QE      6.10  # i   1      965.5*2e   liu908   137
         HA      4 ASN  HN      3.10  #     2   102400.0  e   liu908    89
         HA      4 ASN  HB2     6.00 >#   w 2     1191.0  e   liu908  2039
         HA      4 ASN  HB3     4.80 <#     2     8478.0  e   liu908  2038
         HA      5 VAL  HN      6.00  #   w 3      462.0  e   liu908  9122
         HA     17 LYS+ HA      5.80  #     4     2082.0  e   liu908  9123
         HA     17 LYS+ QG      7.00  # m w 5      333.0*2e   liu908  9125
         HA     17 LYS+ HD2     6.00  #   w 5      396.0  e   liu908  9124
         HA     18 CYS  HN      5.30  #     4     3551.0  e   liu908  4537
         HA     84 ASP- HN      6.00  #     4     1651.0  e   liu908  4582
         HA     84 ASP- HA      5.20  #     4     3942.0  e   liu908  4588
         HB2     3 TYR  QD      4.90  # r   1    41965.0*2e   liu908   150
         HB2     3 TYR  QE      6.00 <# r   1     6155.0*2e   liu908   139
         HB2     4 ASN  HN      3.90 >#     2    24120.0  e   liu908  2026
         HB2     4 ASN  HA      5.80  #     2     2186.0  e   liu908  9126
         HB2     5 VAL  HN      5.10  #     3     5433.0  e   liu908  9127
         HB2     5 VAL  QG2     6.40  #     5M    9942.0  e   liu908  4528
         HB2    18 CYS  HN      4.00 <#     5    11530.0  e   liu908  4540
         HB2    18 CYS  HB2     6.00  #   w 5         .0  e   liu908  8450
         HB2    18 CYS  HB3     4.30  #     5     9835.0  e   liu908  9129
         HB2    19 ASP- HA      6.00  #   w 5      808.0  e   liu908  8255
         HB2    81 PRO  HB2     3.20  #     5    43550.0  e   liu908  7536
         HB2    81 PRO  HG2     6.00  #   w 5         .0  e   liu908  7554
         HB2    81 PRO  HG3     6.00  #   w 5         .0  e   liu908  7547
         HB2    83 SER  HN      4.40  #     5     6299.0  e   liu908  7467
         HB2    83 SER  HA      4.20  #     5     8214.0  e   liu908  9130
         HB2    84 ASP- HA      3.60 >#     5    21410.0  e   liu908  4592
         HB2    85 VAL  HN      4.90 >#     5     3526.0  e   liu908  7420
         HB3     3 TYR  QD      5.00  # r   1    38400.0*2e   liu908   149
         HB3     3 TYR  QE      6.80 ># r   1     2181.5*2e   liu908   138
         HB3     4 ASN  HN      3.30 <#     2    64370.0  e   liu908  2025
         HB3     4 ASN  HA      5.10  #     2     4536.0  e   liu908  9131
         HB3     5 VAL  QG2     7.00  #   w 5M    3955.0  e   liu908  4531
         HB3    18 CYS  HN      6.00 >#     5      977.0  e   liu908  8265
         HB3    18 CYS  HB3     5.80  #     5     1176.0  e   liu908  8446
         HB3    81 PRO  HB2     6.00  #   w 5      351.0  e   liu908  7535
         HB3    81 PRO  HG2     6.00  #   w 5         .0  e   liu908  7551
         HB3    83 SER  HN      4.70  #     5     4374.0  e   liu908  7466
         HB3    84 ASP- HN      3.50  #     5    26760.0  e   liu908  7445
         HB3    84 ASP- HA      2.90 <#     5    78510.0  e   liu908  4591
         HB3    84 ASP- HB2     5.80  #     5     1175.0  e   liu908  7451
         HB3    84 ASP- HB3     6.00  #   w 5      784.0  e   liu908  7448
         HB3    85 VAL  HN      4.10 <#     5    10600.0  e   liu908  4594
         HB3    85 VAL  QQG     8.40  #   w 5M    2961.0*2e   liu908  4597
         QD      3 TYR  QE      6.80  # rr  1    58675.0*4e   liu908   146
         QD      4 ASN  HN      6.30  # r   5     7445.0*2e   liu908  2029
         QD      4 ASN  HB3     6.60  # r   5     6190.0*2e   liu908  2041
         QD      5 VAL  QG2     9.00  # r w 5M    4941.5*2e   liu908  4533
         QD     18 CYS  HN      8.00  # r w 5      175.0*2e   liu908  8264
         QD     18 CYS  HB2     7.80 <# r   5     1172.5*2e   liu908  8270
         QD     18 CYS  HB3     8.00 ># r w 5      412.0*2e   liu908  8271
         QD     20 ASP- HN      7.00  # r   5     3040.0*2e   liu908  4551
         QD     20 ASP- HA      7.90  # r   5     1122.0*2e   liu908  4550
         QD     20 ASP- HB2     6.00 <# r   5    10725.0*2e   liu908  8242
         QD     20 ASP- HB3     7.50 ># r   5     1746.5*2e   liu908  9134
         QD     81 PRO  HB2     6.90 ># r   5     3526.0*2e   liu908  7539
         QD     81 PRO  HB3     6.10 <# r   5     9310.0*2e   liu908  7542
         QD     81 PRO  HG3     6.80  # r   5     3846.0*2e   liu908  4567
         QD     81 PRO  HD2     6.80  # r   5     3663.5*2e   liu908  4561
         QD     82 THR  HN      7.60  # r   5     1422.0*2e   liu908  9133
         QD     83 SER  HN      6.80  # r   5     4053.5*2e   liu908  7470
         QD     83 SER  HA      5.80  # r   5    15200.0*2e   liu908  7472
         QD     84 ASP- HN      6.30  # r   5     7170.0*2e   liu908  4581
         QD     84 ASP- HA      8.00  # r w 5      659.5*2e   liu908  4583
         QE      4 ASN  HN      8.00  # r w 5      766.5*2e   liu908  2030
         QE     19 ASP- HA      8.00  # r w 5      828.0*2e   liu908  8753
         QE     20 ASP- HN      6.80  # r   5     3799.0*2e   liu908  4556
         QE     20 ASP- HA      6.10  # r   5     9700.0*2e   liu908  4553
         QE     20 ASP- HB2     5.20  # r   5    44785.0*2e   liu908  4555
         QE     20 ASP- HB3     5.50  # r   5    27365.0*2e   liu908  4554
         QE     81 PRO  HB2     8.00  # r w 5      203.0*2e   liu908  7540
         QE     81 PRO  HG2     6.70 <# r   5     4223.5*2e   liu908  7555
         QE     81 PRO  HG3     8.00 ># r   5     1034.5*2e   liu908  8754
         QE     82 THR  HN      7.50  # r   5     1649.5*2e   liu908  4569
         QE     82 THR  HA      5.20  # r   5    40780.0*2e   liu908  4563
         QE     82 THR  HB      7.90  # r   5     1046.0*2e   liu908  7521
         QE     83 SER  HN      7.00  # r   5     2853.5*2e   liu908  4570
         QE     83 SER  HA      5.80  # r   5    15020.0*2e   liu908  4578
         QE     83 SER  HB2     7.40  # r   5     1774.0*2e   liu908  4572
         QE     83 SER  HB3     7.90  # r   5     1140.0*2e   liu908  4571
         QE     84 ASP- HN      6.90  # r   5     3325.0*2e   liu908  4580
         QE     84 ASP- HA      8.00  # r w 5      527.5*2e   liu908  4586
         QE     84 ASP- HB3     8.00  # r w 5      194.0*2e   liu908  7449
         QE     85 VAL  QQG    10.40  # r w 5M     332.2*4e   liu908  8756
  4 ASN  
         HN      4 ASN  HA      3.70  #     2    34410.0  e   liu908     7
         HN      4 ASN  HB2     3.80  #     2    29720.0  e   liu908   153
         HN      4 ASN  HB3     3.30  #     2    66260.0  e   liu908   154
         HN      4 ASN  HD21    4.30 <#     1     4088.0  e   liu908  3186
         HN      4 ASN  HD22    5.60 >#     1      836.0  e   liu908  3187
         HN      5 VAL  HN      4.20  #     2    14680.0  e   liu908  2043
         HN      5 VAL  HA      5.60  #     2     2606.0  e   liu908  2048
         HN     18 CYS  HN      5.20  #     4     3861.0  e   liu908  4612
         HN     84 ASP- HN      5.30  #     4     3651.0  e   liu908  4617
         HN     84 ASP- HA      3.30  #     4    59400.0  e   liu908  4618
         HN     84 ASP- HB2     4.20 <#     5     7998.0  e   liu908  4626
         HN     84 ASP- HB3     5.00 >#     5     2860.0  e   liu908  4629
         HN     85 VAL  HN      5.20  #     4     3780.0  e   liu908  4630
         HA      4 ASN  HB2     3.70  #     2    35310.0  e   liu908   157
         HA      4 ASN  HB3     4.20  #     2    14690.0  e   liu908   158
         HA      4 ASN  HD21    4.90  #     1     1834.0  e   liu908  3183
         HA      4 ASN  HD22    5.00  #     1     1615.0  e   liu908  3188
         HA      5 VAL  HN      2.90  #     2   159700.0  e   liu908    90
         HA      5 VAL  HB      5.60  #     2     2619.0  e   liu908  2050
         HA      5 VAL  QG1     7.00  #   w 5M    1117.0  e   liu908  2051
         HA     16 PHE  HN      5.50  #     4     2858.0  e   liu908  8341
         HA     17 LYS+ HA      4.70  #     4     7189.0  e   liu908  4610
         HA     17 LYS+ QG      6.90  # m   5     1068.0*2e   liu908  8306
         HA     17 LYS+ HD2     4.60  #     5     4813.0  e   liu908  8308
         HA     17 LYS+ HD3     4.80  #     5     4012.0  e   liu908  8307
         HA     18 CYS  HN      4.50  #     4     9568.0  e   liu908  4613
         HA     84 ASP- HA      6.00  #   w 4      257.0  e   liu908  4620
         HB2     4 ASN  HD21    3.40  #     1    28280.0  e   liu908  3184
         HB2     4 ASN  HD22    4.10  #     1     7665.0  e   liu908  3189
         HB2     5 VAL  HN      4.60  #     2    11740.0  e   liu908  2045
         HB2    84 ASP- HA      4.90  #     5     3175.0  e   liu908  4621
         HB2    84 ASP- HB2     6.00  #   w 5         .0  e   liu908  7456
         HB3     4 ASN  HD21    3.50  #     1    15730.0  e   liu908  3193
         HB3     4 ASN  HD22    4.20  #     1     4885.0  e   liu908  3190
         HB3     5 VAL  HN      4.80  #     2     7056.0  e   liu908  2047
         HB3     5 VAL  HA      5.10  #     2     4807.0  e   liu908  2049
         HB3    17 LYS+ HA      6.00  #   w 5      325.0  e   liu908  8305
         HB3    84 ASP- HA      4.30  #     5     7740.0  e   liu908  4622
         HB3    84 ASP- HB2     3.50  #     5    25900.0  e   liu908  7454
         HB3    85 VAL  HN      5.60  #     5     1464.0  e   liu908  8548
         HD21    6 LYS+ HB2     5.00  #     5     3063.0  e   liu908  8669
         HD21    6 LYS+ HB3     6.00  #   w 5      653.0  e   liu908  8675
         HD21   15 GLU- HA      6.00  #   w 5      512.0  e   liu908  8419
         HD21   15 GLU- HB2     6.00  #   w 5      494.0  e   liu908  4608
         HD21   15 GLU- HB3     5.40  #     5     2135.0  e   liu908  8420
         HD21   15 GLU- QG      6.40  # m   5     1788.5*2e   liu908  4602
         HD21   17 LYS+ QE      7.00  # m w 5      219.0*2e   liu908  8309
         HD21   84 ASP- HA      6.00  #   w 5      560.0  e   liu908  4625
         HD21   84 ASP- HB2     6.00  #   w 5      853.0  e   liu908  7459
         HD21   84 ASP- HB3     6.00  #   w 5      104.0  e   liu908  8555
         HD22    6 LYS+ HB2     5.00  #     5     3031.0  e   liu908  8670
         HD22    6 LYS+ HB3     5.50  #     5     1669.0  e   liu908  8676
         HD22   15 GLU- HA      6.00  #   w 5      651.0  e   liu908  4605
         HD22   15 GLU- HB2     6.00  #   w 5      604.0  e   liu908  4601
         HD22   15 GLU- HB3     5.30  #     5     2079.0  e   liu908  4600
         HD22   15 GLU- QG      7.00  # m   5      948.5*2e   liu908  4599
         HD22   17 LYS+ QE      7.00  # m w 5      410.5*2e   liu908  8422
  5 VAL  
         HN      5 VAL  HA      3.70  #     2    32440.0  e   liu908    20
         HN      5 VAL  HB      3.10  #     2    93440.0  e   liu908   162
         HN      5 VAL  QG1     5.00 >#     1M   20210.0  e   liu908   163
         HN      5 VAL  QG2     4.30 <#     1M   52950.0  e   liu908   164
         HN      6 LYS+ HN      4.60  #     2     8817.0  e   liu908  2054
         HN     15 GLU- HA      5.30  #     4     3557.0  e   liu908  4634
         HN     15 GLU- QG      5.80  # m   5     3663.5*2e   liu908  8360
         HN     16 PHE  HN      3.70  #     4    28480.0  e   liu908  4652
         HN     16 PHE  HA      5.30  #     4     3368.0  e   liu908  4654
         HN     16 PHE  QD      6.80  # r   5     3960.5*2e   liu908  4655
         HN     16 PHE  QE      8.00  # r w 5      298.5*2e   liu908  4657
         HN     17 LYS+ HN      5.60  #     4     2444.0  e   liu908  4677
         HN     17 LYS+ HA      3.60  #     4    34850.0  e   liu908  4676
         HN     17 LYS+ QG      7.00  # m w 5      578.0*2e   liu908  8311
         HN     17 LYS+ HD2     4.60 <#     5     4969.0  e   liu908  8313
         HN     17 LYS+ HD3     5.90 >#     5     1114.0  e   liu908  8312
         HN     18 CYS  HN      4.60  #     4     8769.0  e   liu908  4681
         HN     18 CYS  HB2     5.20  #     5     2219.0  e   liu908  8273
         HN     18 CYS  HB3     5.80  #     5     1234.0  e   liu908  4688
         HA      5 VAL  HB      3.80  #     2    26960.0  e   liu908   165
         HA      5 VAL  QG1     4.00  #     1M   83750.0  e   liu908   167
         HA      5 VAL  QG2     4.00  #     1M   74950.0  e   liu908   166
         HA      6 LYS+ HN      2.70  #     2   219700.0  e   liu908    91
         HA      6 LYS+ HB2     5.90  #     2     2016.0  e   liu908  2065
         HA      6 LYS+ HB3     5.30  #     2     3713.0  e   liu908  2064
         HA     15 GLU- HA      6.00  #   w 4      596.0  e   liu908  8740
         HA     16 PHE  QD      8.00  # r w 5      250.5*2e   liu908  8346
         HA     84 ASP- HA      6.00  #   w 4     1269.0  e   liu908  4713
         HA     85 VAL  HN      3.30  #     4    60130.0  e   liu908  4720
         HA     85 VAL  HB      6.00  #   w 5      312.0  e   liu908  4722
         HA     85 VAL  QQG     6.80  #     5M   27920.0*2e   liu908  4723
         HA     86 VAL  HA      5.30  #     4     3470.0  e   liu908  4860
         HB      5 VAL  QG1     3.40  #     1M  218300.0  e   liu908   168
         HB      5 VAL  QG2     3.30  #   s 1M  380700.0  e   liu908   172
         HB      6 LYS+ HN      4.80  #     2     6996.0  e   liu908  2055
         HB     15 GLU- HA      5.00  #     5     2968.0  e   liu908  4632
         HB     16 PHE  HN      3.90  #     5    12940.0  e   liu908  4659
         HB     16 PHE  HB2     6.00  #   w 5      257.0  e   liu908  8342
         HB     16 PHE  QD      5.50  # r   5    24165.0*2e   liu908  4668
         HB     16 PHE  QE      5.90  # r   5    12565.0*2e   liu908  4671
         HB     17 LYS+ HA      5.60  #     5     1528.0  e   liu908  8310
         HB     18 CYS  HN      5.60  #     5     1472.0  e   liu908  4682
         HB     18 CYS  HB2     4.20  #     5     8863.0  e   liu908  4691
         HB     18 CYS  HB3     4.70  #     5     4271.0  e   liu908  4692
         HB     24 VAL  QG2     6.30  #     5M   10810.0  e   liu908  8191
         QG1     6 LYS+ HN      4.80 <#     5M   55290.0  e   liu908  2057
         QG1     6 LYS+ HA      7.00  #   w 5M    3716.0  e   liu908  2063
         QG1     6 LYS+ HB3     7.00  #   w 5M    1763.0  e   liu908  4640
         QG1     7 LEU  HN      6.30  #     5M   10930.0  e   liu908  4643
         QG1     7 LEU  HA      6.90  #     5M    6163.0  e   liu908  4646
         QG1     7 LEU  HB2     7.00  #   w 5M    3806.0  e   liu908  4650
         QG1     7 LEU  HB3     7.00  #   w 5M    1686.0  e   liu908  4648
         QG1     7 LEU  HG      4.90  #     5M   50920.0  e   liu908  4649
         QG1    15 GLU- HA      7.00  #   w 5M    3491.0  e   liu908  4633
         QG1    15 GLU- QG      8.00  # m w 5M     618.5*2e   liu908  4638
         QG1    16 PHE  HN      7.00  #   w 5M    4866.0  e   liu908  4661
         QG1    16 PHE  QD      7.40  # r   5M   27750.0*2e   liu908  4666
         QG1    16 PHE  QE      7.50 <# r   5M   25960.0*2e   liu908  4665
         QG1    18 CYS  HB2     7.00  #   w 5M    2833.0  e   liu908  4701
         QG1    18 CYS  HB3     7.00  #   w 5M    4786.0  e   liu908  4700
         QG1    24 VAL  HA      7.00  #     5M    5565.0  e   liu908  4704
         QG1    24 VAL  HB      7.00  #   w 5M    1794.0  e   liu908  4705
         QG1    24 VAL  QG1     6.00  # m   5M   46890.0  e   liu908  8190
         QG1    24 VAL  QG2     6.40  # m   5M   28280.0  e   liu908  8188
         QG1    81 PRO  HB3     7.00  #   w 5M     665.0  e   liu908  7560
         QG1    81 PRO  HG2     7.00  #   w 5M    1078.0  e   liu908  7563
         QG1    81 PRO  HG3     7.00  #   w 5M     595.0  e   liu908  8560
         QG1    84 ASP- HA      7.00 >#   w 5M     390.0  e   liu908  4719
         QG1    85 VAL  HN      6.90 >#     5M    6450.0  e   liu908  7016
         QG1    85 VAL  HB      7.00 >#   w 5M    1113.0  e   liu908  4858
         QG1    85 VAL  QQG     8.10  # q   5M   19465.0*2e   liu908  7430
         QG1    86 VAL  HN      7.00  #   w 5M     589.0  e   liu908  4862
         QG1    86 VAL  HA      7.00 <#     5M    5790.0  e   liu908  4861
         QG1    87 ILE  HN      6.60  #     5M    8307.0  e   liu908  4866
         QG1    87 ILE  HB      5.60  #     5M   22850.0  e   liu908  4870
         QG1    87 ILE  QG2     5.20  # m   5M  134000.0  e   liu908  7304
         QG1    87 ILE  QG1     8.00  # m w 5M        .0*2e   liu908  7303
         QG1    87 ILE  QD1     6.90  # m   5M   16340.0  e   liu908  7307
         QG2     6 LYS+ HN      6.30 >#     5M   11370.0  e   liu908  2060
         QG2    15 GLU- QG      8.00  # m w 5M    1210.0*2e   liu908  4641
         QG2    16 PHE  QD      7.40  # r   5M   29450.0*2e   liu908  4669
         QG2    16 PHE  QE      8.40 ># r   5M    9810.0*2e   liu908  4670
         QG2    17 LYS+ HA      5.80  #     5M   18550.0  e   liu908  4679
         QG2    18 CYS  HN      5.70  #     5M   20940.0  e   liu908  4683
         QG2    18 CYS  HA      7.00  #   w 5M    5411.0  e   liu908  4695
         QG2    18 CYS  HB2     5.30  #     5M   31320.0  e   liu908  4698
         QG2    18 CYS  HB3     4.40  #     5M   98960.0  e   liu908  4693
         QG2    24 VAL  HA      7.00  #   w 5M    5397.0  e   liu908  8185
         QG2    81 PRO  HA      6.50  #     5M    8906.0  e   liu908  7556
         QG2    81 PRO  HB2     5.60  #     5M   22530.0  e   liu908  7558
         QG2    81 PRO  HB3     6.60  #     5M    8607.0  e   liu908  7559
         QG2    81 PRO  HG2     7.00  #   w 5M    3884.0  e   liu908  4706
         QG2    81 PRO  HG3     7.00  #   w 5M    2735.0  e   liu908  8561
         QG2    81 PRO  HD3     7.00  #   w 5M    4553.0  e   liu908  4707
         QG2    84 ASP- HA      7.00 <#   w 5M    1544.0  e   liu908  4717
         QG2    85 VAL  HN      5.80 <#     5M   17370.0  e   liu908  7015
         QG2    85 VAL  HB      6.20 <#     5M   11540.0  e   liu908  7427
         QG2    85 VAL  QQG     7.30  # q   5M   47440.0*2e   liu908  7431
         QG2    86 VAL  HA      7.00 >#   w 5M    1824.0  e   liu908  4863
  6 LYS+ 
         HN      6 LYS+ HA      3.90  #     2    25490.0  e   liu908    43
         HN      6 LYS+ HB2     3.70  #     2    35060.0  e   liu908   184
         HN      6 LYS+ HB3     3.40  #     2    52790.0  e   liu908   183
         HN      6 LYS+ HG2     4.50  #     1     3133.0  e   liu908   186
         HN      6 LYS+ HG3     5.00  #     1     1581.0  e   liu908   185
         HN      6 LYS+ QD      5.60  # m   1     2780.0*2e   liu908   240
         HN      6 LYS+ HE2     5.10  #     1     1440.0  e   liu908   194
         HN      6 LYS+ HE3     4.70  #     1     2474.0  e   liu908   202
         HN      7 LEU  HN      4.70  #     2     7755.0  e   liu908  2066
         HN      7 LEU  HA      6.00  #   w 2     1199.0  e   liu908  2077
         HN     15 GLU- HA      5.80  #     4     1926.0  e   liu908  4876
         HN     15 GLU- QG      7.00  # m w 5      790.5*2e   liu908  4877
         HN     16 PHE  HN      5.20  #     4     3880.0  e   liu908  4891
         HN     84 ASP- HA      6.00  #   w 4      377.0  e   liu908  4893
         HN     85 VAL  HN      4.40  #     4    10420.0  e   liu908  4895
         HN     85 VAL  QQG     8.40  #   w 5M    5465.0*2e   liu908  4897
         HN     86 VAL  HN      6.00  #   w 4     1331.0  e   liu908  7360
         HN     86 VAL  HA      3.30  #     4    64630.0  e   liu908  4900
         HN     86 VAL  HB      6.00  #   w 5      327.0  e   liu908  4902
         HN     86 VAL  QG1     7.00 >#   w 5M    3352.0  e   liu908  4904
         HN     86 VAL  QG2     6.10 <#     5M   12860.0  e   liu908  4905
         HN     87 ILE  HN      4.30  #     4    12490.0  e   liu908  4916
         HN     87 ILE  QG2     7.00  #   w 5M    1889.0  e   liu908  4918
         HA      6 LYS+ HB2     3.40  #     2    58160.0  e   liu908   182
         HA      6 LYS+ HB3     3.60  #     2    35640.0  e   liu908   181
         HA      6 LYS+ HG2     3.50  #     1    15110.0  e   liu908   192
         HA      6 LYS+ HG3     3.00  #     1    34260.0  e   liu908   191
         HA      6 LYS+ QD      5.20  # m   1     4895.5*2e   liu908   250
         HA      6 LYS+ HE2     4.30  #     1     4158.0  e   liu908   190
         HA      6 LYS+ HE3     4.90  #     1     1806.0  e   liu908   189
         HA      7 LEU  HN      2.80  #     2   182900.0  e   liu908    92
         HA      7 LEU  HA      5.50  #     2     2851.0  e   liu908  2078
         HA     15 GLU- HN      6.00  #   w 4      450.0  e   liu908  4880
         HA     15 GLU- HA      3.10  #     4    99440.0  e   liu908  4879
         HA     15 GLU- HB3     4.90  #     5     3523.0  e   liu908  4882
         HA     15 GLU- QG      5.00  # m   5    11105.0*2e   liu908  4881
         HA     16 PHE  HN      4.10  #     4    16890.0  e   liu908  4892
         HA     86 VAL  HA      5.50  #     4     2707.0  e   liu908  4898
         HB2     6 LYS+ HG2     3.20  #     1    24490.0  e   liu908   225
         HB2     6 LYS+ HG3     2.60  #     1    80830.0  e   liu908   230
         HB2     6 LYS+ QD      3.80  # m   1    53200.0*2e   liu908  7019
         HB2     6 LYS+ HE2     3.70  #     1    10610.0  e   liu908   211
         HB2     6 LYS+ HE3     3.80  #     1     9473.0  e   liu908   205
         HB2     7 LEU  HN      4.20  #     2    16070.0  e   liu908  2074
         HB2    15 GLU- HA      4.60  #     5     5100.0  e   liu908  4885
         HB2    15 GLU- HB3     6.00  #   w 5      866.0  e   liu908  4887
         HB2    15 GLU- QG      5.20  # m   5     8160.0*2e   liu908  4889
         HB2    86 VAL  HA      3.90  #     5    13400.0  e   liu908  4910
         HB2    86 VAL  QG1     5.60  #     5M   23400.0  e   liu908  7375
         HB2    86 VAL  QG2     5.70  #     5M   20170.0  e   liu908  7369
         HB2    87 ILE  HN      5.60 >#     5     1484.0  e   liu908  4924
         HB3     6 LYS+ HG2     3.00  #     1    40950.0  e   liu908   235
         HB3     6 LYS+ HG3     3.20  #     1    24880.0  e   liu908   229
         HB3     6 LYS+ QD      4.10  # m   1    29305.0*2e   liu908   242
         HB3     6 LYS+ HE2     5.20  #     1     1313.0  e   liu908   210
         HB3     6 LYS+ HE3     3.80  #     1     8886.0  e   liu908   204
         HB3     7 LEU  HN      4.70  #     2     7647.0  e   liu908  2069
         HB3    86 VAL  HA      3.40  #     5    31750.0  e   liu908  4909
         HB3    86 VAL  QG1     5.80  #     5M   17930.0  e   liu908  7372
         HB3    86 VAL  QG2     5.80  #     5M   19040.0  e   liu908  7374
         HB3    87 ILE  HN      4.40 <#     5     6159.0  e   liu908  4921
         HG2     6 LYS+ QD      4.30  # m   1    22295.0*2e   liu908   245
         HG2     6 LYS+ HE2     3.70  #     1     9532.0  e   liu908   213
         HG2     6 LYS+ HE3     5.60  #     1      821.0  e   liu908   207
         HG2     7 LEU  HN      3.40  #     5    32090.0  e   liu908  2071
         HG2     8 ILE  HG13    3.90  #     5    12470.0  e   liu908  8686
         HG2    14 VAL  HN      3.90  #     5    13960.0  e   liu908  8570
         HG2    15 GLU- HA      6.00  #   w 5      317.0  e   liu908  8352
         HG2    15 GLU- QG      7.00 ># m w 5      219.0*2e   liu908  8354
         HG3     6 LYS+ QD      4.20  # m   1    24215.0*2e   liu908   243
         HG3     6 LYS+ HE2     4.60  #     1     2675.0  e   liu908   228
         HG3     6 LYS+ HE3     4.20  #     1     4453.0  e   liu908   227
         HG3     7 LEU  HN      3.40  #     5    32210.0  e   liu908  2070
         HG3    14 VAL  HN      3.90  #     5    13920.0  e   liu908  4873
         HG3    15 GLU- HA      6.00  #   w 5      365.0  e   liu908  4884
         HG3    15 GLU- QG      5.70 <# m   5     4283.5*2e   liu908  8355
         HG3    86 VAL  HA      6.00  #   w 5      723.0  e   liu908  7367
         QD      6 LYS+ HE2     5.20 ># m   1     4951.5*2e   liu908   239
         QD      6 LYS+ HE3     4.60 <# m   1    12845.0*2e   liu908   238
         QD      7 LEU  HN      5.50  # m   5     5680.0*2e   liu908  8611
         QD      7 LEU  HA      5.90  # m   5     3300.0*2e   liu908  8705
         QD      8 ILE  HN      5.90  # m   5     3339.5*2e   liu908  8707
         QD     13 GLU- HA      7.00  # m w 5      129.5*2e   liu908  8708
         QD     13 GLU- HG3     5.90  # m   5     3548.0*2e   liu908  8713
         QD     14 VAL  HN      6.50  # m   5     1673.5*2e   liu908  8714
         QD     15 GLU- HN      6.40  # m   5     1971.0*2e   liu908  8716
         QD     15 GLU- HA      7.00  # m w 5      381.0*2e   liu908  8719
         QD     86 VAL  HA      6.70  # m   5     1277.0*2e   liu908  7368
         QD     86 VAL  QG1     6.90  # m   5M   16000.0*2e   liu908  7378
         QD     86 VAL  QG2     7.50  # m   5M    9495.0*2e   liu908  7379
         HE3    86 VAL  QG1     6.20  #     5M   12010.0  e   liu908  4914
         HE3    86 VAL  QG2     6.60  #     5M    7997.0  e   liu908  4913
  7 LEU  
         HN      7 LEU  HA      3.50  #     2    43570.0  e   liu908    64
         HN      7 LEU  HB2     3.40 <#     2    59690.0  e   liu908   258
         HN      7 LEU  HB3     4.20 >#     2    15050.0  e   liu908   260
         HN      7 LEU  HG      2.90  #     1    45810.0  e   liu908   259
         HN      7 LEU  QD1     5.30  #     1M   13640.0  e   liu908   261
         HN      7 LEU  QD2     5.00  #     1M   20770.0  e   liu908   262
         HN      8 ILE  HN      4.50  #     2    10120.0  e   liu908  2079
         HN      8 ILE  HA      6.00  #   w 2      564.0  e   liu908  2086
         HN      8 ILE  HG13    5.80  #     5     1174.0  e   liu908  8682
         HN     13 GLU- HA      4.90  #     4     5495.0  e   liu908  4925
         HN     13 GLU- HG2     5.60  #     5     1434.0  e   liu908  8665
         HN     14 VAL  HN      3.60  #     4    33730.0  e   liu908  4933
         HN     14 VAL  HA      6.00  #   w 4     1020.0  e   liu908  4935
         HN     14 VAL  HB      5.40  #     5     1937.0  e   liu908  4936
         HN     14 VAL  QG1     6.10 <#     5M   12930.0  e   liu908  4939
         HN     14 VAL  QG2     7.00 >#   w 5M    4724.0  e   liu908  4938
         HN     15 GLU- HN      5.70  #     4     2186.0  e   liu908  4951
         HN     15 GLU- HA      3.70  #     4    32360.0  e   liu908  4953
         HN     15 GLU- HB2     5.60  #     5     1488.0  e   liu908  8478
         HN     15 GLU- HB3     6.00  #   w 5      859.0  e   liu908  4960
         HN     15 GLU- QG      6.00  # m   5     2960.5*2e   liu908  4959
         HN     16 PHE  HN      5.00  #     4     4780.0  e   liu908  4926
         HN     16 PHE  QD      7.30  # r   5     2129.5*2e   liu908  4967
         HN     16 PHE  QE      8.00  # r w 5      405.5*2e   liu908  4965
         HA      7 LEU  HB2     3.60  #     2    39970.0  e   liu908   252
         HA      7 LEU  HB3     3.20  #     2    77170.0  e   liu908   254
         HA      7 LEU  HG      3.30  #     1    22660.0  e   liu908   253
         HA      7 LEU  QD1     5.70 >#     1M    9703.0  e   liu908   255
         HA      7 LEU  QD2     3.70 <#     1M  137600.0  e   liu908   256
         HA      8 ILE  HN      2.70  #     2   240600.0  e   liu908    93
         HA      8 ILE  HA      6.00  #   w 2     1564.0  e   liu908  2088
         HA      8 ILE  HB      4.40  #     2    11280.0  e   liu908  2096
         HA      8 ILE  QG2     7.00  #   w 5M     972.0  e   liu908  8729
         HA      8 ILE  HG13    4.60  #     5     5209.0  e   liu908  8684
         HA      8 ILE  QG1     6.70  # m   5     1282.5*2e   liu908  8733
         HA      8 ILE  QD1     7.00  #   w 5M    2888.0  e   liu908  8730
         HA      9 THR  HN      6.00  #   w 3     1023.0  e   liu908  8739
         HA      9 THR  QG2     6.70  #     5M    7491.0  e   liu908  8727
         HA     13 GLU- HA      5.10  #     4     4326.0  e   liu908  8736
         HA     14 VAL  HN      5.10  #     4     5670.0  e   liu908  4942
         HA     15 GLU- HA      6.00  #     4     1605.0  e   liu908  4955
         HA     15 GLU- QG      7.00  # m w 5      723.5*2e   liu908  4961
         HA     16 PHE  QE      8.00  # r w 5      339.5*2e   liu908  8338
         HA     86 VAL  QG1     7.00  #   w 5M    4605.0  e   liu908  8734
         HA     87 ILE  HN      3.50  #     4    42650.0  e   liu908  5010
         HA     87 ILE  HA      6.00  #   w 4      388.0  e   liu908  8735
         HA     87 ILE  QG2     4.80  #     5M   59080.0  e   liu908  7313
         HA     87 ILE  QG1     7.00  # m w 5      600.0*2e   liu908  5014
         HA     87 ILE  QD1     7.00  #   w 5M    4805.0  e   liu908  5012
         HA     88 GLU- HN      6.00  #   w 4      587.0  e   liu908  7283
         HA     88 GLU- HA      4.60  #     4     7780.0  e   liu908  7281
         HA     89 THR  HN      5.50  #     4     2681.0  e   liu908  5022
         HA     89 THR  QG2     5.70  #     5M   19800.0  e   liu908  5025
         HB2     7 LEU  HG      2.70  #     1    68440.0  e   liu908   274
         HB2     7 LEU  QD1     3.60  #     1M  143000.0  e   liu908   271
         HB2     7 LEU  QD2     3.90  #     1M   88640.0  e   liu908   289
         HB2     8 ILE  HN      4.70  #     2     8148.0  e   liu908  2081
         HB2    14 VAL  HN      3.90 <#     5    14260.0  e   liu908  4944
         HB2    14 VAL  QG1     5.10  #     5M   40260.0  e   liu908  8858
         HB2    14 VAL  QG2     5.70  #     5M   20820.0  e   liu908  8856
         HB2    16 PHE  QE      7.80  # r   5     1173.0*2e   liu908  8476
         HB2    87 ILE  QG2     6.90  #     5M    6427.0  e   liu908  7315
         HB2    89 THR  QG2     5.50  #     5M   26150.0  e   liu908  5026
         HB3     7 LEU  HG      3.00  #     1    37740.0  e   liu908   275
         HB3     7 LEU  QD1     4.10  #     1M   73300.0  e   liu908   286
         HB3     7 LEU  QD2     3.80  #     1M  110400.0  e   liu908   291
         HB3     8 ILE  HN      4.10  #     2    18310.0  e   liu908  2092
         HB3    14 VAL  HN      5.00 >#     5     3149.0  e   liu908  4945
         HB3    14 VAL  QG1     6.30  #     5M   11140.0  e   liu908  8860
         HB3    14 VAL  QG2     6.50  #     5M    9145.0  e   liu908  8861
         HB3    16 PHE  QE      8.00  # r w 5      763.5*2e   liu908  8340
         HB3    87 ILE  QG2     6.10  #     5M   13020.0  e   liu908  7321
         HB3    87 ILE  QD1     6.00  #     5M   17750.0  e   liu908  5016
         HB3    89 THR  QG2     7.00  #   w 5M        .0  e   liu908  7251
         HG      7 LEU  QD1     3.70  #     1M  124800.0  e   liu908   276
         HG      7 LEU  QD2     3.80  #     1M  107300.0  e   liu908   277
         HG      8 ILE  HN      5.60  #     5     1431.0  e   liu908  2082
         HG     14 VAL  HN      6.00  #   w 5      788.0  e   liu908  4950
         HG     15 GLU- HA      5.50  #     5     1752.0  e   liu908  4963
         HG     16 PHE  HN      5.80  #     5     1153.0  e   liu908  4969
         HG     16 PHE  HB3     5.60  #     5     1528.0  e   liu908  4985
         HG     16 PHE  QD      5.00  # r   5    66950.0*2e   liu908  4971
         HG     16 PHE  QE      6.00  # r   5    11280.0*2e   liu908  4970
         HG     87 ILE  QG2     6.10  #     5M   13750.0  e   liu908  7316
         QD1     8 ILE  HN      7.00 >#     5M    6017.0  e   liu908  2085
         QD1     9 THR  HN      7.00  #   w 5M     799.0  e   liu908  2110
         QD1    15 GLU- HA      7.00 >#   w 5M     142.0  e   liu908  8742
         QD1    16 PHE  QD      8.20  # r   5M   11840.0*2e   liu908  4974
         QD1    16 PHE  QE      7.60  # r   5M   21540.0*2e   liu908  4980
         QD1    28 ALA  HA      7.00  #   w 5M    2371.0  e   liu908  4991
         QD1    28 ALA  QB      5.50 <# m   5M   88060.0  e   liu908  4993
         QD1    35 ILE  HG12    7.00  #   w 5M     964.0  e   liu908  8449
         QD1    35 ILE  HG13    6.70  #     5M    7305.0  e   liu908  8448
         QD1    35 ILE  QD1     5.00  # m   5M  169100.0  e   liu908  8942
         QD1    87 ILE  QG2     6.50  # m   5M   25000.0  e   liu908  7317
         QD1    87 ILE  QD1     7.90  # m   5M    6562.0  e   liu908  7318
         QD1    89 THR  HA      7.00  #   w 5M    3350.0  e   liu908  7250
         QD1    89 THR  QG2     5.80  # m   5M   55310.0  e   liu908  7253
         QD1    89 THR  HG1     7.00  #   w 5M    4958.0  e   liu908  6901
         QD2     8 ILE  HN      5.40 <#     5M   27590.0  e   liu908  2084
         QD2    14 VAL  HN      7.00  #   w 5M    5277.0  e   liu908  4949
         QD2    15 GLU- HA      7.00 <#   w 5M     475.0  e   liu908  8358
         QD2    16 PHE  QD      8.00  # r   5M   14100.0*2e   liu908  4979
         QD2    16 PHE  QE      8.40  # r   5M    9785.0*2e   liu908  4978
         QD2    28 ALA  QB      6.80 ># m   5M   17540.0  e   liu908  4992
         QD2    35 ILE  HG12    7.00  #   w 5M     291.0  e   liu908  8005
         QD2    35 ILE  HG13    7.00  #   w 5M    2193.0  e   liu908  8006
         QD2    35 ILE  QD1     5.60  # m   5M   77440.0  e   liu908  8944
         QD2    87 ILE  HN      7.00  #   w 5M    2827.0  e   liu908  8775
         QD2    89 THR  HA      7.00  #   w 5M    3469.0  e   liu908  5032
  8 ILE  
         HN      8 ILE  HA      3.70  #     2    30700.0  e   liu908    10
         HN      8 ILE  HB      3.20  #     2    76280.0  e   liu908   294
         HN      8 ILE  QG2     5.60  #     1M   10630.0  e   liu908   302
         HN      8 ILE  HG12    3.90 >#     1     7694.0  e   liu908   301
         HN      8 ILE  HG13    3.10 <#     1    32660.0  e   liu908   328
         HN      8 ILE  QD1     6.10  #     1M    6096.0  e   liu908   321
         HN      9 THR  HN      4.70  #     2     7475.0  e   liu908  2097
         HN      9 THR  HA      5.40  #     2     3481.0  e   liu908  2104
         HN     13 GLU- HA      4.70  #     4     6786.0  e   liu908  5068
         HN     87 ILE  HN      4.30  #     4    11890.0  e   liu908  5063
         HN     87 ILE  QG2     6.30  #     5M   11290.0  e   liu908  7325
         HN     87 ILE  QD1     7.00  #   w 5M    1564.0  e   liu908  5064
         HN     88 GLU- HN      5.40  #     4     3020.0  e   liu908  5043
         HN     88 GLU- HA      3.30  #     4    58770.0  e   liu908  5045
         HN     88 GLU- HB2     5.10  #     5     2768.0  e   liu908  5049
         HN     88 GLU- HG2     5.00 <#     5     3046.0  e   liu908  7285
         HN     88 GLU- HG3     6.00 >#   w 5      829.0  e   liu908  5050
         HN     89 THR  HN      3.90  #     4    23470.0  e   liu908  5037
         HN     89 THR  QG2     5.60  #     5M   23080.0  e   liu908  5040
         HN     89 THR  HG1     4.90  #     5     3195.0  e   liu908  7261
         HA      8 ILE  HB      3.90  #     2    23570.0  e   liu908   303
         HA      8 ILE  QG2     4.40  #     1M   45580.0  e   liu908   309
         HA      8 ILE  HG12    3.20  #     1    22960.0  e   liu908   306
         HA      8 ILE  HG13    3.50  #     1    13330.0  e   liu908  8681
         HA      8 ILE  QD1     5.60  #     1M   10040.0  e   liu908   320
         HA      9 THR  HN      2.80  #     2   182900.0  e   liu908    94
         HA      9 THR  HA      5.20  #     2     4095.0  e   liu908  2114
         HA      9 THR  HG1     4.60  #     5     4652.0  e   liu908  2113
         HA     12 GLY  HN      5.20  #     3     5050.0  e   liu908  9153
         HA     13 GLU- HN      5.20  #     4     4013.0  e   liu908  5076
         HA     13 GLU- HA      3.50  #     4    45500.0  e   liu908  5070
         HA     13 GLU- HB2     5.20  #     5     2386.0  e   liu908  8477
         HA     13 GLU- HB3     4.70  #     5     4576.0  e   liu908  5073
         HA     13 GLU- HG2     4.40  #     5     6299.0  e   liu908  8667
         HA     14 VAL  HN      4.20  #     4    14140.0  e   liu908  8607
         HA     88 GLU- HA      6.00  #   w 4     1404.0  e   liu908  5052
         HA     89 THR  HN      6.00  #   w 4      332.0  e   liu908  5041
         HB      8 ILE  QG2     4.10  #     1M   65280.0  e   liu908   310
         HB      8 ILE  HG12    3.00  #     1    39490.0  e   liu908   304
         HB      8 ILE  HG13    3.00  #     1    35780.0  e   liu908   326
         HB      8 ILE  QD1     4.10  #     1M   67950.0  e   liu908   319
         HB      9 THR  HN      5.60  #     2     2746.0  e   liu908  2107
         HB      9 THR  HA      6.00  #   w 2      309.0  e   liu908  8722
         HB     86 VAL  QG1     6.80  #     5M    6877.0  e   liu908  7383
         HB     87 ILE  HN      6.00  #     5     1011.0  e   liu908  7323
         HB     88 GLU- HN      5.20  #     5     2235.0  e   liu908  5055
         HB     88 GLU- HA      4.00  #     5    12130.0  e   liu908  5053
         HB     89 THR  HN      4.80  #     5     3700.0  e   liu908  7257
         QG2     8 ILE  HG12    4.20  #     1M   57120.0  e   liu908   311
         QG2     8 ILE  HG13    3.90  #     1M   89630.0  e   liu908   330
         QG2     8 ILE  QD1     4.40  # m   1M  222100.0  e   liu908   316
         QG2     9 THR  HN      5.50  #     5M   24590.0  e   liu908  2102
         QG2     9 THR  HA      7.00  #   w 5M    4608.0  e   liu908  8720
         QG2    10 PRO  HA      5.90  #     5M   19800.0  e   liu908  9137
         QG2    12 GLY  HN      7.00  #   w 5M    1450.0  e   liu908  5091
         QG2    13 GLU- HN      7.00  #   w 5M    3071.0  e   liu908  8396
         QG2    13 GLU- HA      6.50  #     5M    8694.0  e   liu908  5083
         QG2    13 GLU- HG3     6.90  #     5M    6085.0  e   liu908  5087
         QG2    88 GLU- HA      5.20  #     5M   36860.0  e   liu908  5057
         QG2    88 GLU- HG2     6.50  #     5M    9125.0  e   liu908  7286
         QG2    88 GLU- HG3     7.00  #     5M    6017.0  e   liu908  7292
         HG12    8 ILE  QD1     3.30  #   s 1M  317000.0  e   liu908   315
         HG12    9 THR  HN      5.00 <#     5     3152.0  e   liu908  2101
         HG12   13 GLU- HN      6.00  #   w 5      525.0  e   liu908  8397
         HG12   13 GLU- HA      5.00  #     5     2953.0  e   liu908  5080
         HG12   13 GLU- HG3     4.40  #     5     6590.0  e   liu908  5082
         HG12   86 VAL  QG1     5.40  #     5M   28790.0  e   liu908  7382
         HG13    8 ILE  QD1     3.50  #     1M  164100.0  e   liu908   323
         HG13    9 THR  HN      6.00 >#   w 5      933.0  e   liu908  8688
         HG13   13 GLU- HA      5.70  #     5     1309.0  e   liu908  8689
         HG13   13 GLU- HB2     6.00  #   w 5      720.0  e   liu908  8694
         HG13   13 GLU- HB3     5.20  #     5     2278.0  e   liu908  8696
         HG13   13 GLU- HG2     3.90  #     5    13750.0  e   liu908  8692
         HG13   13 GLU- HG3     4.90  #     5     3541.0  e   liu908  8690
         HG13   14 VAL  HN      5.50  #     5     1735.0  e   liu908  8697
         HG13   86 VAL  QG1     5.00  #     5M   43480.0  e   liu908  8699
         HG13   87 ILE  HN      4.50  #     5     5464.0  e   liu908  8702
         HG13   87 ILE  QD1     7.00  #   w 5M    1147.0  e   liu908  8703
         HG13   88 GLU- HA      4.10  #     5    10130.0  e   liu908  5059
         QD1     9 THR  HN      7.00  #   w 5M    1850.0  e   liu908  2103
         QD1    13 GLU- HA      7.00  #   w 5M    5469.0  e   liu908  5084
         QD1    13 GLU- HG2     5.90  #     5M   16530.0  e   liu908  8869
         QD1    13 GLU- HG3     6.50  #     5M    8668.0  e   liu908  5089
         QD1    86 VAL  HA      7.00  #   w 5M        .0  e   liu908  7381
         QD1    86 VAL  QG1     8.00  # m w 5M        .0  e   liu908  7384
         QD1    87 ILE  HN      7.00  #   w 5M    1068.0  e   liu908  7322
         QD1    88 GLU- HA      6.50  #     5M    9421.0  e   liu908  5058
         QD1    88 GLU- HG2     6.10 <#     5M   12780.0  e   liu908  7287
         QD1    88 GLU- HG3     7.00 >#   w 5M    2891.0  e   liu908  7293
  9 THR  
         HN      9 THR  HA      3.60  #     2    40730.0  e   liu908    70
         HN      9 THR  HB      4.90  #     2     6071.0  e   liu908   340
         HN      9 THR  QG2     4.00  #     1M   82240.0  e   liu908   341
         HN      9 THR  HG1     3.10  #     1    32210.0  e   liu908   336
         HN     10 PRO  HA      5.90  #     2     1837.0  e   liu908  9138
         HN     10 PRO  HD3     5.70  #     5     1334.0  e   liu908  2128
         HN     11 ASP- HN      5.30  #     3     4473.0  e   liu908  5093
         HN     11 ASP- HB2     5.50  #     3     3675.0  e   liu908  8413
         HN     12 GLY  HN      4.00  #     3    23860.0  e   liu908  5108
         HN     12 GLY  HA1     5.20  #     3     5161.0  e   liu908  8408
         HN     12 GLY  HA2     6.00  #   w 3         .0  e   liu908  8483
         HN     13 GLU- HN      5.00  #     3     6388.0  e   liu908  5116
         HN     13 GLU- HA      3.70  #     3    40620.0  e   liu908  5118
         HN     13 GLU- HB2     5.70  #     3     2962.0  e   liu908  8392
         HN     13 GLU- HG2     4.10  #     5    10660.0  e   liu908  8870
         HN     13 GLU- HG3     4.50  #     5     5833.0  e   liu908  8390
         HN     14 VAL  HN      4.80  #     4     6058.0  e   liu908  5122
         HN     88 GLU- HA      6.00  #   w 4     1212.0  e   liu908  5128
         HN     89 THR  HN      6.00  #   w 4         .0  e   liu908  5133
         HN     89 THR  HG1     5.00  #     5     2859.0  e   liu908  6881
         HA      9 THR  HB      3.20  #     2    86260.0  e   liu908   332
         HA      9 THR  QG2     3.90  #     1M   85950.0  e   liu908   343
         HA      9 THR  HG1     4.90  #     1     1781.0  e   liu908   338
         HA     10 PRO  HA      6.00  #     2     1684.0  e   liu908  9140
         HA     10 PRO  HB2     6.00  #   w 2     1018.0  e   liu908  2138
         HA     10 PRO  HB3     6.00  #   w 2     1614.0  e   liu908  2134
         HA     10 PRO  HG2     4.70  #     5     4442.0  e   liu908  8569
         HA     10 PRO  HG3     4.30  #     5     7588.0  e   liu908  2136
         HA     10 PRO  HD2     2.90  #     5    74100.0  e   liu908  2130
         HA     10 PRO  HD3     2.70  #     5   141200.0  e   liu908  2126
         HA     11 ASP- HN      4.80  #     3     8622.0  e   liu908    95
         HA     12 GLY  HN      5.40  #     3     4124.0  e   liu908  5106
         HA     13 GLU- HA      6.00  #   w 3     1556.0  e   liu908  8388
         HA     88 GLU- HA      6.00  #   w 4     1021.0  e   liu908  5130
         HA     88 GLU- HB3     6.00  #   w 5      422.0  e   liu908  7295
         HA     89 THR  HN      3.90  #     4    23560.0  e   liu908  5134
         HA     89 THR  HB      5.70  #     5     1387.0  e   liu908  5137
         HA     89 THR  QG2     6.50  #     5M    8923.0  e   liu908  5139
         HA     89 THR  HG1     3.60  #     5    22410.0  e   liu908  6883
         HA     90 HIS  QB      6.10  # m   5     2663.5*2e   liu908  5142
         HA     90 HIS  HE1     4.40  #     5     6769.0  e   liu908  5149
         HB      9 THR  QG2     3.60  #     1M  144100.0  e   liu908   333
         HB      9 THR  HG1     3.10  #     1    32380.0  e   liu908   335
         HB     10 PRO  HA      6.00  #   w 2      186.0  e   liu908  9141
         HB     10 PRO  HB2     5.90  #     5     1113.0  e   liu908  2137
         HB     10 PRO  HB3     6.00  #   w 5      627.0  e   liu908  2133
         HB     10 PRO  HG3     5.20  #     5     2427.0  e   liu908  2135
         HB     10 PRO  HD2     2.60  #     5   154900.0  e   liu908  2129
         HB     10 PRO  HD3     3.00  #     5    70830.0  e   liu908  2123
         HB     11 ASP- HN      3.90  #     3    30120.0  e   liu908  8485
         HB     11 ASP- HB2     4.70  #     5     4200.0  e   liu908  5099
         HB     12 GLY  HN      4.20  #     3    18680.0  e   liu908  9154
         HB     89 THR  HG1     3.90  #     5    12940.0  e   liu908  6885
         HB     90 HIS  HE1     3.60  #     5    20540.0  e   liu908  5150
         QG2     9 THR  HG1     4.40  #     1M   45430.0  e   liu908   339
         QG2    10 PRO  HD2     5.20  #     5M   35670.0  e   liu908  8563
         QG2    10 PRO  HD3     5.60  #     5M   23480.0  e   liu908  8562
         QG2    11 ASP- HN      7.00  #   w 5M    3090.0  e   liu908  8855
         QG2    12 GLY  HN      6.70  #     5M    7692.0  e   liu908  5105
         QG2    13 GLU- HA      6.60  #     5M    8314.0  e   liu908  8381
         QG2    13 GLU- HB2     7.00 >#   w 5M    3169.0  e   liu908  8382
         QG2    13 GLU- HB3     6.40 <#     5M    9901.0  e   liu908  8384
         QG2    88 GLU- HA      7.00  #   w 5M    2353.0  e   liu908  5132
         QG2    89 THR  HN      6.50  #     5M    9204.0  e   liu908  5136
         QG2    89 THR  HG1     6.20  #     5M   12200.0  e   liu908  6887
         QG2    90 HIS  QB      7.10  # m   5M   13765.0*2e   liu908  5144
         QG2    90 HIS  HD1     6.70  #     5M    7645.0  e   liu908  5145
         QG2    90 HIS  HE1     5.70  #     5M   21130.0  e   liu908  5151
         HG1    10 PRO  HA      6.00  #   w 5      543.0  e   liu908  9142
         HG1    10 PRO  HD2     4.70  #     5     4504.0  e   liu908  2131
         HG1    10 PRO  HD3     5.40  #     5     1891.0  e   liu908  2119
         HG1    11 ASP- HN      3.50  #     5    24850.0  e   liu908  5092
         HG1    11 ASP- HA      5.00  #     5     3080.0  e   liu908  8412
         HG1    11 ASP- HB2     4.30 <#     5     7592.0  e   liu908  5101
         HG1    11 ASP- HB3     5.40 >#     5     1826.0  e   liu908  5097
         HG1    12 GLY  HN      3.30  #     5    36140.0  e   liu908  5107
         HG1    12 GLY  HA1     5.70  #     5     1340.0  e   liu908  8410
         HG1    12 GLY  HA2     5.00  #     5     2856.0  e   liu908  8482
         HG1    13 GLU- HN      6.00  #   w 5      823.0  e   liu908  8393
         HG1    13 GLU- HA      5.70  #     5     1332.0  e   liu908  5119
         HG1    14 VAL  HN      6.00  #   w 5      358.0  e   liu908  5120
         HG1    14 VAL  QG1     7.00  #   w 5M    1390.0  e   liu908  8549
         HG1    14 VAL  QG2     7.00  #   w 5M     852.0  e   liu908  5124
         HG1    89 THR  HG1     6.00  #   w 5      641.0  e   liu908  6891
         HG1    90 HIS  HE1     6.00  #   w 5      695.0  e   liu908  5148
 10 PRO  
         HA     10 PRO  HB2     3.70 >#     2    32590.0  e   liu908   359
         HA     10 PRO  HB3     3.00 <#     2   120600.0  e   liu908   358
         HA     10 PRO  HG2     3.80  #     1     9430.0  e   liu908   361
         HA     10 PRO  HG3     3.80  #     1     8583.0  e   liu908   356
         HA     10 PRO  HD2     4.20  #     1     5132.0  e   liu908   349
         HA     10 PRO  HD3     4.20  #     1     5085.0  e   liu908   348
         HA     11 ASP- HN      3.90  #     2    24770.0  e   liu908  2141
         HA     11 ASP- HA      5.80  #     2     2176.0  e   liu908  2144
         HA     11 ASP- HB2     6.00  #   w 2     1582.0  e   liu908  9143
         HA     12 GLY  HN      4.20  #     3    18560.0  e   liu908  5156
         HA     12 GLY  HA1     6.00  #   w 3      580.0  e   liu908  9145
         HA     13 GLU- HN      6.00  #   w 3      481.0  e   liu908  9146
         HB2    10 PRO  HG2     2.50  #     1   102600.0  e   liu908   375
         HB2    10 PRO  HG3     3.00  #     1    34310.0  e   liu908   374
         HB2    10 PRO  HD2     3.50  #     1    13420.0  e   liu908   372
         HB2    10 PRO  HD3     3.80  #     1     8286.0  e   liu908   371
         HB2    11 ASP- HN      4.10  #     2    16910.0  e   liu908  2146
         HB2    11 ASP- HA      5.20  #     2     3969.0  e   liu908  9147
         HB2    11 ASP- HB2     5.80  #     5     1247.0  e   liu908  9148
         HB2    12 GLY  HN      6.00  #   w 3     1656.0  e   liu908  5155
         HB3    10 PRO  HG2     2.90  #     1    42550.0  e   liu908   384
         HB3    10 PRO  HG3     2.50  #     1   109900.0  e   liu908   383
         HB3    10 PRO  HD2     4.00  #     1     6686.0  e   liu908   382
         HB3    10 PRO  HD3     3.90  #     1     7448.0  e   liu908   386
         HB3    11 ASP- HN      4.70  #     2     7413.0  e   liu908  2148
         HB3    90 HIS  QB      7.00  # m w 5       96.0*2e   liu908  9149
         HG2    10 PRO  HD2     2.80  #     1    53980.0  e   liu908   367
         HG2    10 PRO  HD3     2.90  #     1    41860.0  e   liu908   366
         HG2    11 ASP- HN      4.50 <#     5     5585.0  e   liu908  2145
         HG3    10 PRO  HD2     2.80  #     1    50840.0  e   liu908   377
         HG3    10 PRO  HD3     2.70  #     1    65570.0  e   liu908   376
         HG3    11 ASP- HN      5.80 >#     5     1241.0  e   liu908  2147
         HG3    90 HIS  HD1     6.00  #   w 5      269.0  e   liu908  5167
         HD2    11 ASP- HN      3.50 <#     5    24600.0  e   liu908  2140
         HD2    12 GLY  HN      5.20 <#     5     2277.0  e   liu908  5154
         HD2    89 THR  HG1     4.20  #     5     8708.0  e   liu908  6907
         HD2    90 HIS  HD1     4.50 <#     5     7123.0  e   liu908  5168
         HD2    90 HIS  HE1     3.70  #     5    19200.0  e   liu908  5173
         HD2    91 LYS+ QE      7.00  # m w 5      414.0*2e   liu908  7201
         HD3    11 ASP- HN      4.40 >#     5     6287.0  e   liu908  2139
         HD3    12 GLY  HN      6.00 >#   w 5      909.0  e   liu908  5153
         HD3    89 THR  HG1     3.60  #     5    20650.0  e   liu908  6908
         HD3    90 HIS  HD1     5.30 >#     5     2026.0  e   liu908  5169
 11 ASP- 
         HN     11 ASP- HA      3.60  #     2    36360.0  e   liu908    13
         HN     11 ASP- HB2     2.90 <#     2   130100.0  e   liu908   394
         HN     11 ASP- HB3     4.00 >#     2    21580.0  e   liu908   387
         HN     12 GLY  HN      2.80  #     2   198500.0  e   liu908  2154
         HN     12 GLY  HA1     4.70 <#     2     8043.0  e   liu908  8401
         HN     12 GLY  HA2     5.40 >#     2     3209.0  e   liu908  8400
         HN     13 GLU- HN      5.40  #     3     4077.0  e   liu908  5176
         HA     11 ASP- HB2     4.70 >#     2     8063.0  e   liu908   390
         HA     11 ASP- HB3     3.10 <#     2    91910.0  e   liu908   389
         HA     12 GLY  HN      4.20  #     2    15320.0  e   liu908   102
         HA     12 GLY  HA1     6.00 <#   w 2     1363.0  e   liu908  8402
         HA     12 GLY  HA2     6.00 >#   w 2      534.0  e   liu908  9152
         HA     13 GLU- HN      6.00  #   w 3      923.0  e   liu908  8369
         HB2    12 GLY  HN      3.70 <#     2    31830.0  e   liu908  2156
         HB2    12 GLY  HA2     6.00  #   w 2     1530.0  e   liu908  8486
         HB2    13 GLU- HN      4.80  #     3     7871.0  e   liu908  8371
         HB3    12 GLY  HN      5.10 >#     2     4830.0  e   liu908  2155
         HB3    12 GLY  HA1     5.70  #     2     2386.0  e   liu908  8403
         HB3    12 GLY  HA2     5.50  #     2     3046.0  e   liu908  8404
         HB3    13 GLU- HN      5.00  #     3     6728.0  e   liu908  8373
 12 GLY  
         HN     12 GLY  HA1     3.20  #     2    77960.0  e   liu908    60
         HN     12 GLY  HA2     3.50  #     2    47220.0  e   liu908    61
         HN     13 GLU- HN      5.00  #     2     5574.0  e   liu908  2160
         HN     13 GLU- HA      5.70  #     2     2455.0  e   liu908  2159
         HA1    13 GLU- HN      3.30  #     2    71600.0  e   liu908   103
         HA1    13 GLU- HA      6.00 <#   w 2     1646.0  e   liu908  2166
         HA1    13 GLU- HB2     5.00  #     2     5180.0  e   liu908  9156
         HA1    13 GLU- HB3     6.00  #   w 2      983.0  e   liu908  8484
         HA1    13 GLU- HG3     5.40  #     5     1856.0  e   liu908  8368
         HA2    13 GLU- HN      3.70  #     2    35190.0  e   liu908   104
         HA2    13 GLU- HA      6.00 >#   w 2      406.0  e   liu908  2162
 13 GLU- 
         HN     13 GLU- HA      3.70  #     2    34490.0  e   liu908    57
         HN     13 GLU- HB2     3.50  #     2    46380.0  e   liu908   403
         HN     13 GLU- HB3     4.00  #     2    19410.0  e   liu908   404
         HN     13 GLU- HG2     4.00 >#     1     6812.0  e   liu908  8651
         HN     13 GLU- HG3     3.00 <#     1    34720.0  e   liu908   402
         HN     14 VAL  HN      4.50  #     2    10360.0  e   liu908  2167
         HN     14 VAL  HA      6.00  #   w 2     1604.0  e   liu908  8362
         HA     13 GLU- HB2     3.50  #     2    46400.0  e   liu908   415
         HA     13 GLU- HB3     3.30  #     2    67070.0  e   liu908   418
         HA     13 GLU- HG2     3.00  #     1    33840.0  e   liu908  8650
         HA     13 GLU- HG3     3.40  #     1    16000.0  e   liu908   412
         HA     14 VAL  HN      2.70  #     2   205300.0  e   liu908   105
         HA     14 VAL  HA      5.90  #     2     2006.0  e   liu908  2176
         HA     14 VAL  HB      6.00  #   w 2     1575.0  e   liu908  8364
         HA     14 VAL  QG1     6.00 <#     5M   14990.0  e   liu908  2177
         HA     14 VAL  QG2     7.00 >#   w 5M    1835.0  e   liu908  2178
         HB2    13 GLU- HG2     3.10  #     1    32310.0  e   liu908  8661
         HB2    13 GLU- HG3     3.00  #     1    33600.0  e   liu908   416
         HB2    14 VAL  HN      4.40  #     2    10930.0  e   liu908  2173
         HB3    13 GLU- HG2     2.80  #     1    55960.0  e   liu908  8658
         HB3    13 GLU- HG3     3.10  #     1    32970.0  e   liu908   419
         HB3    14 VAL  HN      3.90  #     2    22400.0  e   liu908  2171
         HG2    14 VAL  HN      4.20 <#     5     8949.0  e   liu908  8663
         HG2    15 GLU- HN      5.70  #     5     1321.0  e   liu908  8668
         HG3    14 VAL  HN      5.00 >#     5     3098.0  e   liu908  2175
 14 VAL  
         HN     14 VAL  HA      3.80  #     2    27020.0  e   liu908    44
         HN     14 VAL  HB      4.20  #     2    15500.0  e   liu908   421
         HN     14 VAL  QG1     4.20 <#     1M   55160.0  e   liu908   422
         HN     14 VAL  QG2     5.10 >#     1M   18430.0  e   liu908   427
         HN     15 GLU- HN      4.70  #     2     7769.0  e   liu908  2181
         HN     15 GLU- HA      5.10  #     2     4561.0  e   liu908  2182
         HN     33 ILE  QD1     7.00  #   w 5M    5136.0  e   liu908  8808
         HA     14 VAL  HB      3.30  #     2    64540.0  e   liu908   431
         HA     14 VAL  QG1     4.80  #     1M   25280.0  e   liu908   434
         HA     14 VAL  QG2     4.90  #     1M   23560.0  e   liu908   436
         HA     15 GLU- HN      3.50  #     2   159500.0  e   liu908   106
         HA     15 GLU- HA      5.70  #     2     2304.0  e   liu908  2195
         HA     15 GLU- HB2     6.00  #   w 2     1068.0  e   liu908  8351
         HB     14 VAL  QG1     4.10  #     1M   70510.0  e   liu908   432
         HB     14 VAL  QG2     4.00  #     1M   79070.0  e   liu908   433
         HB     15 GLU- HN      4.60  #     2     9117.0  e   liu908  2186
         HB     15 GLU- HA      6.00  #   w 2     1550.0  e   liu908  2191
         QG1    15 GLU- HN      5.40 <#     5M   26370.0  e   liu908  2189
         QG1    15 GLU- HA      7.00 <#   w 5M    4953.0  e   liu908  2192
         QG1    16 PHE  QD      8.70 ># r   5M    7255.0*2e   liu908  8334
         QG1    33 ILE  HA      7.00 <#   w 5M    2722.0  e   liu908  8039
         QG1    33 ILE  HB      7.00 >#   w 5M    2851.0  e   liu908  8041
         QG2    15 GLU- HN      7.00 >#   w 5M    3499.0  e   liu908  2185
         QG2    15 GLU- HA      7.00 >#   w 5M     403.0  e   liu908  2193
         QG2    16 PHE  HB3     7.00  #   w 5M    2327.0  e   liu908  8336
         QG2    16 PHE  QD      7.50 <# r   5M   24850.0*2e   liu908  8335
         QG2    33 ILE  HA      7.00 >#   w 5M     575.0  e   liu908  8040
         QG2    33 ILE  HB      6.10 <#     5M   13770.0  e   liu908  8042
 15 GLU- 
         HN     15 GLU- HA      3.60  #     2    35620.0  e   liu908    27
         HN     15 GLU- HB2     3.60  #     2    41760.0  e   liu908   446
         HN     15 GLU- HB3     4.00  #     2    20780.0  e   liu908   445
         HN     15 GLU- QG      4.80  # m   1     8375.0*2e   liu908   444
         HN     16 PHE  HN      4.50  #     2     9884.0  e   liu908  2199
         HN     16 PHE  HA      6.00  #   w 2      410.0  e   liu908  2216
         HN     16 PHE  HB3     6.00  #   w 2       85.0  e   liu908  8330
         HN     16 PHE  QD      7.50  # r   5     1754.0*2e   liu908  2207
         HA     15 GLU- HB2     3.60  #     2    40980.0  e   liu908   441
         HA     15 GLU- HB3     3.30  #     2    59950.0  e   liu908   440
         HA     15 GLU- QG      3.90  # i   1    20420.0*2e   liu908   442
         HA     16 PHE  HN      2.80  #     2   187400.0  e   liu908   107
         HA     16 PHE  HA      5.20  #     2     4265.0  e   liu908  2212
         HA     16 PHE  HB2     6.00  #   w 2     1217.0  e   liu908  2215
         HA     16 PHE  HB3     6.00  #   w 2     1187.0  e   liu908  2214
         HA     16 PHE  QD      6.40  # r   5     6630.0*2e   liu908  2211
         HA     16 PHE  QE      8.00  # r w 5      448.0*2e   liu908  2210
         HB2    15 GLU- QG      3.70  # m   1    67500.0*2e   liu908   452
         HB2    16 PHE  HN      4.80 >#     2     6681.0  e   liu908  2206
         HB2    16 PHE  HA      6.00  #   w 2       60.0  e   liu908  8319
         HB3    15 GLU- QG      3.70  # m   1    68300.0*2e   liu908   451
         HB3    16 PHE  HN      3.80 <#     2    27780.0  e   liu908  2201
         HB3    16 PHE  HA      6.00  #   w 2       67.0  e   liu908  8318
         HB3    16 PHE  QD      6.20  # r   5     9175.0*2e   liu908  8326
         QG     16 PHE  HN      4.50  # m   5    25375.0*2e   liu908  2202
         QG     16 PHE  HA      7.00  # m w 5      228.0*2e   liu908  8317
         QG     16 PHE  QD      6.70  # mr  5    19000.0*4e   liu908  8321
         QG     16 PHE  QE      9.00  # mr  5     1016.0*4e   liu908  8324
 16 PHE  
         HN     16 PHE  HA      3.50  #     2    42820.0  e   liu908     4
         HN     16 PHE  HB2     4.80  #     2     6769.0  e   liu908   463
         HN     16 PHE  HB3     4.60  #     2     9171.0  e   liu908   459
         HN     16 PHE  QD      5.60  # r   1    12930.0*2e   liu908   480
         HN     16 PHE  QE      6.30  # m   1     1209.5*2e   liu908   476
         HN     17 LYS+ HN      4.80  #     2     6973.0  e   liu908  2218
         HN     17 LYS+ HA      5.40  #     2     3225.0  e   liu908  2220
         HA     16 PHE  HB2     3.00  #     2   110300.0  e   liu908   468
         HA     16 PHE  HB3     3.00  #     2   124500.0  e   liu908   466
         HA     16 PHE  QD      4.50  # m   1    13720.0*2e   liu908   473
         HA     16 PHE  QE      5.90  # i   1     1146.5*2e   liu908   477
         HA     17 LYS+ HN      3.00  #     2   117800.0  e   liu908   108
         HA     17 LYS+ HA      6.00  #   w 2      140.0  e   liu908  8276
         HA     17 LYS+ HB2     6.00  #   w 2     1373.0  e   liu908  2228
         HA     17 LYS+ HB3     6.00  #   w 2     1549.0  e   liu908  2230
         HA     17 LYS+ QG      6.70  # m   5     1417.0*2e   liu908  2231
         HA     17 LYS+ HD3     5.60  #     5     1558.0  e   liu908  2229
         HA     17 LYS+ QE      7.00  # m w 5      243.5*2e   liu908  8279
         HA     31 GLU- QB      7.00  # m w 5       92.0*2e   liu908  8086
         HB2    16 PHE  QD      4.80  # r   1    58350.0*2e   liu908   485
         HB2    16 PHE  QE      6.90  # r   1     1785.0*2e   liu908   484
         HB2    17 LYS+ HN      3.10 <#     2    88930.0  e   liu908  2222
         HB2    17 LYS+ HA      6.00 <#   w 2      829.0  e   liu908  8277
         HB2    17 LYS+ HB2     5.70  #     5     1305.0  e   liu908  8479
         HB2    17 LYS+ QG      7.00  # m w 5      403.0*2e   liu908  8280
         HB2    17 LYS+ HD3     6.00  #   w 5      289.0  e   liu908  8284
         HB2    18 CYS  HN      6.00  #   w 3      168.0  e   liu908  8275
         HB2    28 ALA  HA      5.10  #     5     2765.0  e   liu908  8128
         HB2    31 GLU- HN      6.00  #   w 5      355.0  e   liu908  8081
         HB2    31 GLU- QB      7.00 ># m w 5      489.5*2e   liu908  8088
         HB2    33 ILE  HG12    6.00  #   w 5      673.0  e   liu908  8817
         HB2    33 ILE  QD1     7.00  #   w 5M    4267.0  e   liu908  8812
         HB3    16 PHE  QD      4.90  # r   1    48050.0*2e   liu908   483
         HB3    16 PHE  QE      6.60  # r   1     2612.0*2e   liu908   478
         HB3    17 LYS+ HN      4.10 >#     2    16480.0  e   liu908  2221
         HB3    17 LYS+ HA      6.00 >#   w 2      321.0  e   liu908  8278
         HB3    28 ALA  HA      4.90  #     5     3340.0  e   liu908  8126
         HB3    31 GLU- QB      5.10 <# m   5     9920.0*2e   liu908  8087
         HB3    33 ILE  HB      6.00  #     5      987.0  e   liu908  8818
         HB3    33 ILE  HG12    5.20  #     5     2335.0  e   liu908  8816
         HB3    33 ILE  HG13    5.10  #     5     2747.0  e   liu908  8819
         HB3    33 ILE  QD1     6.80  #     5M    6998.0  e   liu908  8811
         QD     16 PHE  QE      6.90  # rr  1    42925.0*4e   liu908   471
         QD     17 LYS+ HN      6.20  # r   5     8715.0*2e   liu908  2217
         QD     17 LYS+ HA      7.00  # r   5     3099.5*2e   liu908  2223
         QD     18 CYS  HN      6.70  # r   5     4186.5*2e   liu908  5179
         QD     18 CYS  HA      7.40  # r   5     1924.0*2e   liu908  5183
         QD     18 CYS  HB2     5.90  # r   5    13480.0*2e   liu908  5184
         QD     18 CYS  HB3     6.00  # r   5    11560.0*2e   liu908  5189
         QD     24 VAL  HA      6.40  # r   5     6375.0*2e   liu908  5214
         QD     24 VAL  QG1     7.20 <# r   5M   35775.0*2e   liu908  5211
         QD     24 VAL  QG2     8.30 ># r   5M   11380.0*2e   liu908  5209
         QD     28 ALA  HN      6.30  # r   5     7450.0*2e   liu908  8123
         QD     28 ALA  HA      5.20  # r   5    41690.0*2e   liu908  5190
         QD     28 ALA  QB      7.40  # r   5M   28960.0*2e   liu908  5191
         QD     30 GLU- QG      9.00  # rmw 5      445.8*4e   liu908  9015
         QD     31 GLU- HN      7.90  # r   5     1141.0*2e   liu908  8077
         QD     31 GLU- HA      8.00  # r w 5      650.5*2e   liu908  8083
         QD     31 GLU- QB      9.00  # rmw 5      256.2*4e   liu908  8092
         QD     31 GLU- HG3     5.80  # r   5    15760.0*2e   liu908  9010
         QD     33 ILE  HB      8.00  # r   5      943.0*2e   liu908  8031
         QD     33 ILE  QG2     8.40  # r   5M   10080.0*2e   liu908  8035
         QD     33 ILE  QD1     6.80  # r   5M   54700.0*2e   liu908  8810
         QE     18 CYS  HB2     6.60  # r   5     5195.0*2e   liu908  5187
         QE     24 VAL  HA      6.40  # r   5     6055.0*2e   liu908  5215
         QE     24 VAL  QG1     7.30 <# r   5M   31910.0*2e   liu908  5210
         QE     24 VAL  QG2     8.80 ># r   5M    6610.0*2e   liu908  5208
         QE     27 GLN  QB      8.40  # rm  5     1775.5*4e   liu908  9039
         QE     27 GLN  QG      9.00  # rmw 5      682.0*4e   liu908  9036
         QE     28 ALA  HN      6.30  # r   5     7695.0*2e   liu908  5195
         QE     28 ALA  HA      5.80  # r   5    16270.0*2e   liu908  5192
         QE     28 ALA  QB      7.20  # r   5M   33295.0*2e   liu908  5193
         QE     31 GLU- HN      8.00  # r w 5      295.5*2e   liu908  8078
         QE     31 GLU- HG3     8.00  # r w 5      692.0*2e   liu908  9014
         QE     33 ILE  HB      8.00  # r w 5      342.0*2e   liu908  8030
         QE     33 ILE  QG2     8.40  # r   5M   10410.0*2e   liu908  8036
 17 LYS+ 
         HN     17 LYS+ HA      3.60  #     2    35720.0  e   liu908    54
         HN     17 LYS+ HB2     3.10 <#     2    91310.0  e   liu908   488
         HN     17 LYS+ HB3     4.00 >#     2    20410.0  e   liu908   490
         HN     17 LYS+ QG      4.80  # m   1     9440.0*2e   liu908   491
         HN     17 LYS+ HD2     5.50 >#     1      920.0  e   liu908   494
         HN     17 LYS+ HD3     3.40 <#     1    18740.0  e   liu908   498
         HN     17 LYS+ QE      7.00  # m w 1      198.5*2e   liu908   487
         HN     18 CYS  HN      4.90  #     2     5653.0  e   liu908  2250
         HA     17 LYS+ HB2     3.60  #     2    38730.0  e   liu908   511
         HA     17 LYS+ HB3     3.40  #     2    52320.0  e   liu908   523
         HA     17 LYS+ QG      4.00  # i   1    16485.0*2e   liu908   534
         HA     17 LYS+ HD2     3.40  #     1    17190.0  e   liu908   517
         HA     17 LYS+ HD3     3.60  #     1    11800.0  e   liu908   530
         HA     17 LYS+ QE      7.00  # m w 1      296.5*2e   liu908   505
         HA     18 CYS  HN      2.80  #     2   198900.0  e   liu908   110
         HA     18 CYS  HB2     6.00  #   w 2     1343.0  e   liu908  8261
         HB2    17 LYS+ QG      3.90  # m   1    41795.0*2e   liu908   516
         HB2    17 LYS+ HD2     4.00  #     1     6656.0  e   liu908   519
         HB2    17 LYS+ HD3     3.00  #     1    36280.0  e   liu908   532
         HB2    17 LYS+ QE      7.00 ># m w 1      426.0*2e   liu908   512
         HB2    18 CYS  HN      4.50 >#     2     9706.0  e   liu908  2251
         HB3    17 LYS+ QG      4.10  # m   1    28070.0*2e   liu908   538
         HB3    17 LYS+ HD2     4.20  #     1     4925.0  e   liu908   526
         HB3    17 LYS+ HD3     3.60  #     1    11860.0  e   liu908   527
         HB3    17 LYS+ QE      5.00 <# m   1     6930.0*2e   liu908   508
         HB3    18 CYS  HN      3.90 <#     2    24670.0  e   liu908  2247
         HB3    18 CYS  HA      6.00  #   w 2     1514.0  e   liu908  8256
         QG     17 LYS+ HD2     4.10  # m   1    31190.0*2e   liu908   522
         QG     17 LYS+ HD3     3.70  # m   1    64450.0*2e   liu908   539
         QG     17 LYS+ QE      6.30  # mm  1     4002.5*4e   liu908   535
         QG     18 CYS  HN      6.40  # m   5     1896.0*2e   liu908  2249
         QG     18 CYS  HA      7.00  # m w 5      158.0*2e   liu908  8260
         HD2    17 LYS+ QE      4.70  # m   1    10880.0*2e   liu908   507
         HD2    18 CYS  HN      5.20  #     5     2319.0  e   liu908  2246
         HD3    17 LYS+ QE      4.30  # m   1    20655.0*2e   liu908   509
         HD3    18 CYS  HN      5.00  #     5     2952.0  e   liu908  2254
 18 CYS  
         HN     18 CYS  HA      4.90  #     2     5896.0  e   liu908    34
         HN     18 CYS  HB2     3.80  #     2    25910.0  e   liu908  2236
         HN     18 CYS  HB3     3.40  #     2    51950.0  e   liu908  2235
         HN     19 ASP- HN      4.60  #     2     8764.0  e   liu908  2260
         HN     19 ASP- HA      5.30  #     2     3742.0  e   liu908  2259
         HN     24 VAL  QG1     7.00  #   w 5M     373.0  e   liu908  8180
         HN     81 PRO  HG2     6.00 >#   w 5      356.0  e   liu908  5507
         HN     81 PRO  HG3     5.20 <#     5     2220.0  e   liu908  5511
         HA     18 CYS  HB2     3.30  #     2    68170.0  e   liu908  2238
         HA     18 CYS  HB3     3.50  #     2    46460.0  e   liu908  2239
         HA     19 ASP- HN      3.70  #     2    33140.0  e   liu908  2258
         HA     19 ASP- HA      5.00  #     2     5577.0  e   liu908  2263
         HA     22 VAL  QG1     6.40  #     5M   10070.0  e   liu908  5504
         HA     22 VAL  QG2     6.60  #     5M    8178.0  e   liu908  5503
         HA     24 VAL  HA      5.60  #     4     2469.0  e   liu908  5525
         HA     27 GLN  QG      6.30  # m   5     2128.5*2e   liu908  6853
         HA     81 PRO  HG2     4.30  #     5     7593.0  e   liu908  5514
         HA     81 PRO  HG3     4.40  #     5     6947.0  e   liu908  5513
         HA     81 PRO  HD2     6.00  #   w 5      206.0  e   liu908  5509
         HA     81 PRO  HD3     6.00  #   w 5         .0  e   liu908  5516
         HB2    19 ASP- HN      4.80  #     2     7114.0  e   liu908  2266
         HB2    24 VAL  HA      5.20  #     5     2467.0  e   liu908  5529
         HB2    28 ALA  QB      7.00  #   w 5M    4384.0  e   liu908  8130
         HB2    81 PRO  HG2     4.20  #     5     8703.0  e   liu908  7572
         HB2    81 PRO  HG3     3.70  #     5    19540.0  e   liu908  7571
         HB3    19 ASP- HN      5.00  #     2     5572.0  e   liu908  2257
         HB3    19 ASP- HA      6.00  #   w 2      425.0  e   liu908  8254
         HB3    24 VAL  HA      5.60  #     5     1430.0  e   liu908  5527
         HB3    24 VAL  QG1     6.70  #     5M    7422.0  e   liu908  8176
         HB3    81 PRO  HB3     4.00  #     5    10730.0  e   liu908  7568
         HB3    81 PRO  HG2     4.40  #     5     6811.0  e   liu908  5521
         HB3    81 PRO  HG3     3.50  #     5    25560.0  e   liu908  5522
         HB3    81 PRO  HD3     5.80  #     5     1240.0  e   liu908  5523
 19 ASP- 
         HN     19 ASP- HA      3.80  #     2    28510.0  e   liu908    58
         HN     19 ASP- HB2     3.10 <#     2    95100.0  e   liu908   545
         HN     19 ASP- HB3     3.80 >#     2    34760.0  e   liu908   544
         HN     20 ASP- HN      4.90  #     2     6272.0  e   liu908  2267
         HN     21 ASP- HN      5.40  #     3     4242.0  e   liu908  5551
         HN     22 VAL  HN      5.50  #     3     3602.0  e   liu908  5533
         HN     22 VAL  HB      4.10  #     3    22640.0  e   liu908  8211
         HN     22 VAL  QG1     5.80  #     5M   18390.0  e   liu908  5538
         HN     22 VAL  QG2     5.70  #     5M   20990.0  e   liu908  5539
         HN     27 GLN  HE21    5.20  #     5     2808.0  e   liu908  8443
         HN     81 PRO  HG3     5.20  #     5     2385.0  e   liu908  5553
         HA     19 ASP- HB2     3.80  #     2    25760.0  e   liu908   550
         HA     19 ASP- HB3     3.50  #     2    45980.0  e   liu908   548
         HA     20 ASP- HN      3.00  #     2   120700.0  e   liu908   109
         HA     20 ASP- HA      6.00  #   w 2      218.0  e   liu908  8228
         HA     20 ASP- HB3     6.00  #   w 2      718.0  e   liu908  8229
         HA     21 ASP- HN      4.70  #     3     9492.0  e   liu908  6814
         HA     22 VAL  HN      6.00  #   w 3     1500.0  e   liu908  8206
         HB2    20 ASP- HN      4.20 >#     2    14900.0  e   liu908  2271
         HB2    21 ASP- HN      3.30  #     3    77970.0  e   liu908  6817
         HB2    21 ASP- HA      5.60  #     3     3217.0  e   liu908  6819
         HB2    22 VAL  HN      4.40  #     3    13650.0  e   liu908  2274
         HB2    22 VAL  HB      3.40 <#     5    32880.0  e   liu908  8207
         HB2    22 VAL  QG1     4.80  #     5M   53500.0  e   liu908  5549
         HB2    22 VAL  QG2     5.00  #     5M   45590.0  e   liu908  5547
         HB3    20 ASP- HN      3.40 <#     2    64880.0  e   liu908  2270
# nov8   HB3    20 ASP- HN      3.30 <#     2    64880.0  e   liu908  2270
         HB3    20 ASP- HB3     6.00  #   w 5       83.0  e   liu908  8230
         HB3    21 ASP- HN      3.60  #     3    49490.0  e   liu908  6820
         HB3    21 ASP- HA      6.00  #   w 3     1528.0  e   liu908  6818
         HB3    22 VAL  HN      5.00  #     3     6314.0  e   liu908  5536
         HB3    22 VAL  HB      4.50 >#     5     5829.0  e   liu908  5541
         HB3    22 VAL  QG1     5.40  #     5M   27190.0  e   liu908  5543
         HB3    22 VAL  QG2     7.00  #   w 5M    4162.0  e   liu908  5542
 20 ASP- 
         HN     20 ASP- HA      3.60  #     2    36440.0  e   liu908    66
         HN     20 ASP- HB2     3.70  #     2    33640.0  e   liu908   556
         HN     20 ASP- HB3     3.90  #     2    22700.0  e   liu908   555
         HN     21 ASP- HN      3.30  #     2    67490.0  e   liu908  6826
         HN     21 ASP- HA      6.00  #   w 2     1100.0  e   liu908  8214
         HN     21 ASP- HB2     4.90 <#     2     5744.0  e   liu908  8221
         HN     21 ASP- HB3     6.00 >#   w 2      455.0  e   liu908  8219
         HN     22 VAL  HN      5.50  #     3     3567.0  e   liu908  2277
         HN     22 VAL  HB      6.00  #   w 3      595.0  e   liu908  8220
         HA     20 ASP- HB2     3.10  #     2    99210.0  e   liu908   554
         HA     20 ASP- HB3     3.00  #     2   113600.0  e   liu908   553
         HA     21 ASP- HN      4.50  #     2     9995.0  e   liu908  6830
         HA     22 VAL  HN      4.90  #     3     7092.0  e   liu908  2276
         HA     22 VAL  QG1     7.00  #   w 5M    1001.0  e   liu908  5562
         HA     80 TYR  HA      5.80  #     4     1919.0  e   liu908  5563
         HA     80 TYR  HB3     4.10  #     5     9468.0  e   liu908  5565
         HA     80 TYR  QD      8.00  # r w 5      635.5*2e   liu908  5566
         HA     81 PRO  HB3     6.00  #   w 5      703.0  e   liu908  7573
         HA     81 PRO  HG2     3.30 <#     5    35220.0  e   liu908  5569
         HA     81 PRO  HG3     5.70 >#     5     1373.0  e   liu908  5568
         HA     81 PRO  HD2     4.60  #     5     4774.0  e   liu908  5571
         HA     81 PRO  HD3     4.80  #     5     3694.0  e   liu908  5570
         HB2    21 ASP- HN      4.40  #     2    10890.0  e   liu908  6829
         HB2    21 ASP- HA      5.50  #     2     2963.0  e   liu908  8216
         HB2    82 THR  HA      4.70  #     5     4487.0  e   liu908  7523
         HB2    82 THR  HB      6.00  #   w 5         .0  e   liu908  7528
         HB2    82 THR  QG2     5.20 <#     5M   36440.0  e   liu908  5586
         HB3    80 TYR  QD      8.00  # r w 5      736.5*2e   liu908  5567
         HB3    81 PRO  HG2     5.60  #     5     1534.0  e   liu908  7574
         HB3    82 THR  HA      4.40  #     5     6593.0  e   liu908  7522
         HB3    82 THR  QG2     7.00 >#   w 5M    5055.0  e   liu908  5585
 21 ASP- 
         HN     21 ASP- HA      3.50  #     2    49560.0  e   liu908  6802
         HN     21 ASP- HB2     4.20  #     2    15920.0  e   liu908  6804
         HN     21 ASP- HB3     4.00  #     2    19610.0  e   liu908  6806
         HN     22 VAL  HN      3.10  #     2   105900.0  e   liu908  5613
         HN     22 VAL  HA      5.50  #     2     2968.0  e   liu908  8197
         HN     22 VAL  HB      5.30  #     2     3873.0  e   liu908  8203
         HN     80 TYR  HA      6.00  #   w 4      594.0  e   liu908  6832
         HN     80 TYR  QD      6.50  # r   5     5530.0*2e   liu908  6835
         HN     80 TYR  QE      7.80  # r   5     1233.5*2e   liu908  6833
         HA     21 ASP- HB2     3.20  #     2    85250.0  e   liu908  6813
         HA     21 ASP- HB3     2.90  #     2   138900.0  e   liu908  6810
         HA     22 VAL  HN      3.70  #     2    34160.0  e   liu908  5612
         HA     22 VAL  HA      5.90  #     2     1927.0  e   liu908  8199
         HA     80 TYR  HB3     5.40  #     5     1797.0  e   liu908  6842
         HA     80 TYR  QD      5.60  # r   5    22350.0*2e   liu908  6837
         HA     80 TYR  QE      5.90  # r   5    13375.0*2e   liu908  6838
         HB2    22 VAL  HN      4.30 <#     2    13580.0  e   liu908  5617
         HB2    22 VAL  HA      6.00  #     2     1783.0  e   liu908  8202
         HB2    80 TYR  QD      7.40 ># r   5     1798.0*2e   liu908  6847
         HB2    80 TYR  QE      7.50  # r   5     1640.0*2e   liu908  6848
         HB3    22 VAL  HN      5.10 >#     2     4677.0  e   liu908  5611
         HB3    80 TYR  QD      6.50 <# r   5     5725.0*2e   liu908  6844
         HB3    80 TYR  QE      7.30  # r   5     1985.5*2e   liu908  6846
 22 VAL  
         HN     22 VAL  HA      3.50  #     2    49890.0  e   liu908    73
         HN     22 VAL  HB      3.10  #     2    87900.0  e   liu908   567
         HN     22 VAL  QG1     4.30 <#     1M   49700.0  e   liu908   579
         HN     22 VAL  QG2     5.20 >#     1M   16080.0  e   liu908   568
         HN     23 TYR  HN      4.60  #     2     8201.0  e   liu908  2302
         HN     80 TYR  HA      5.00  #     4     4841.0  e   liu908  5589
         HN     80 TYR  HB3     5.80  #     5     1180.0  e   liu908  5594
         HN     80 TYR  QD      5.40  # r   5    29050.0*2e   liu908  5590
         HN     80 TYR  QE      6.30  # r   5     7060.0*2e   liu908  2317
         HN     81 PRO  HG2     4.80  #     5     3968.0  e   liu908  5606
         HN     81 PRO  HD2     4.00 <#     5    11230.0  e   liu908  5604
         HN     81 PRO  HD3     5.00 >#     5     2966.0  e   liu908  5603
         HA     22 VAL  HB      3.50  #     2    45540.0  e   liu908   563
         HA     22 VAL  QG1     3.90  #     1M   95400.0  e   liu908   565
         HA     22 VAL  QG2     3.90  #     1M   95460.0  e   liu908   564
         HA     23 TYR  HN      2.90  #     2   134300.0  e   liu908  2304
         HA     23 TYR  QB      6.20  # m   2     3918.0*2e   liu908  8194
         HA     23 TYR  QD      8.00  # r w 5      233.5*2e   liu908  2315
         HA     26 ASP- HB2     5.80  #     3     2663.0  e   liu908  8157
         HA     80 TYR  QD      6.80  # r   5     3632.5*2e   liu908  5595
         HA     80 TYR  QE      5.60  # r   5    21390.0*2e   liu908  2314
         HB     22 VAL  QG1     3.30  #   s 1M  262000.0  e   liu908   580
         HB     22 VAL  QG2     3.50  #     1M  189900.0  e   liu908   574
         HB     23 TYR  HN      5.00  #     2     5363.0  e   liu908  2305
         HB     80 TYR  QE      8.00  # r   5     1017.5*2e   liu908  2308
         QG1    23 TYR  HN      6.10 >#     5M   13880.0  e   liu908  2307
         QG1    23 TYR  QB      7.70  # m   5M    7765.0*2e   liu908  8195
         QG1    23 TYR  QD      9.00 ># r w 5M     194.0*2e   liu908  2331
         QG1    26 ASP- HN      7.00 >#   w 5M    3661.0  e   liu908  5625
         QG1    26 ASP- HB2     6.20  #     5M   12140.0  e   liu908  5621
         QG1    26 ASP- HB3     5.30  #     5M   32510.0  e   liu908  5629
         QG1    27 GLN  HN      4.90  #     5M   47420.0  e   liu908  6856
         QG1    27 GLN  HA      6.80 >#     5M    6659.0  e   liu908  6860
         QG1    80 TYR  QD      7.40 <# r   5M   29120.0*2e   liu908  5599
         QG1    80 TYR  QE      9.00  # r w 5M    3788.0*2e   liu908  2310
         QG2    23 TYR  HN      4.70 <#     5M   65380.0  e   liu908  2326
         QG2    23 TYR  QD      9.00 <# r w 5M     907.0*2e   liu908  2328
         QG2    24 VAL  HN      7.00  #   w 5M    4225.0  e   liu908  8168
         QG2    24 VAL  HA      7.00  #     5M    5973.0  e   liu908  8170
         QG2    26 ASP- HN      6.10 <#     5M   12900.0  e   liu908  5618
         QG2    26 ASP- HB2     4.90  #     5M   53250.0  e   liu908  5620
         QG2    26 ASP- HB3     4.80  #     5M   54140.0  e   liu908  5626
         QG2    27 GLN  HN      4.90  #     5M   53300.0  e   liu908  6858
         QG2    27 GLN  HA      5.80 <#     5M   18150.0  e   liu908  6859
         QG2    28 ALA  HN      7.00  #   w 5M    4331.0  e   liu908  8908
         QG2    80 TYR  QD      8.70 ># r   5M    7345.0*2e   liu908  5598
         QG2    80 TYR  QE      9.00  # r w 5M    2051.0*2e   liu908  2309
         QG2    81 PRO  HD2     7.00  #   w 5M     345.0  e   liu908  5609
 23 TYR  
         HN     23 TYR  HA      3.70  #     2    32410.0  e   liu908  2280
         HN     23 TYR  QB      4.10  # i   2    48275.0*2e   liu908  2282
         HN     23 TYR  QD      5.70  # r   1    10770.0*2e   liu908  2288
         HN     23 TYR  QE      6.50  # m   1      889.5*2e   liu908  6867
         HN     24 VAL  HN      4.90  #     2     6104.0  e   liu908  2337
         HN     24 VAL  QG2     7.00  #   w 5M    1230.0  e   liu908  2339
         HN     25 LEU  HN      6.00  #   w 3      127.0  e   liu908  9042
         HN     26 ASP- HN      5.30  #     3     4387.0  e   liu908  5630
         HN     26 ASP- HB2     4.30 <#     3    16200.0  e   liu908  5632
         HN     26 ASP- HB3     5.20 >#     3     5166.0  e   liu908  7357
         HN     27 GLN  HN      5.80  #     3     2538.0  e   liu908  6868
         HN     80 TYR  HA      6.00  #   w 4      241.0  e   liu908  7615
         HN     80 TYR  QD      6.10  # r   5     9340.0*2e   liu908  5641
         HN     80 TYR  QE      5.80  # r   5    14870.0*2e   liu908  2292
         HA     23 TYR  QB      5.60  # m   2     8250.0*2e   liu908  7024
         HA     23 TYR  QD      4.80  # m   1     9470.0*2e   liu908  2287
         HA     23 TYR  QE      6.60  # i w 1      425.5*2e   liu908  2286
         HA     24 VAL  HN      3.30  #     2    69700.0  e   liu908  2334
         HA     24 VAL  HA      5.10  #     2     4783.0  e   liu908  8164
         HA     25 LEU  HN      6.00  #   w 3     1293.0  e   liu908  9041
         HA     26 ASP- HN      6.00  #   w 3      671.0  e   liu908  5633
         HA     80 TYR  HA      4.40  #     4    10390.0  e   liu908  3280
         HA     80 TYR  QD      5.80  # r   5    15260.0*2e   liu908  7623
         HA     80 TYR  QE      6.90  # r   5     3175.0*2e   liu908  9044
         QB     23 TYR  QD      6.20  # mr  1    23730.0*4e   liu908  2299
         QB     23 TYR  QE      8.10  # mr  1     1437.5*4e   liu908  2298
         QB     24 VAL  HN      5.40  # m   2    11190.0*2e   liu908  2333
         QB     24 VAL  HA      7.00  # m w 2     1506.5*2e   liu908  8166
         QB     25 LEU  HN      7.00  # m w 3     1427.0*2e   liu908  8162
         QB     25 LEU  HB2     7.00  # m w 5      175.0*2e   liu908  9043
         QB     26 ASP- HN      5.20  # m   3    19845.0*2e   liu908  8148
         QB     26 ASP- HA      6.60  # m   3     3414.5*2e   liu908  8149
         QB     79 ALA  HN      6.20  # m   5     2378.5*2e   liu908  7642
         QB     80 TYR  HA      7.00  # m w 5      334.0*2e   liu908  7617
         QD     23 TYR  QE      7.10  # rr  1    27850.0*4e   liu908  2290
         QD     24 VAL  HN      6.20  # r   5     9180.0*2e   liu908  2335
         QD     25 LEU  HN      8.00  # r w 5      849.5*2e   liu908  8160
         QD     25 LEU  HA      8.00  # r w 5      274.5*2e   liu908  9040
         QD     26 ASP- HN      6.90  # r   5     3433.5*2e   liu908  5639
         QD     26 ASP- HB2     8.00  # r   5      956.0*2e   liu908  5635
         QD     79 ALA  HN      7.20  # r   5     2394.0*2e   liu908  7643
         QD     79 ALA  HA      8.00  # r w 5      615.5*2e   liu908  5651
         QD     79 ALA  QB      9.00  # r w 5M     582.0*2e   liu908  5652
         QD     80 TYR  HN      7.00  # r   5     3077.0*2e   liu908  5645
         QD     80 TYR  HA      7.30  # r   5     2030.5*2e   liu908  5647
         QD     80 TYR  HB2     8.00 <# r w 5      808.0*2e   liu908  7618
         QD     80 TYR  HB3     8.00 ># r w 5      153.0*2e   liu908  7622
         QD     80 TYR  QD      8.60  # rr  5     4650.0*4e   liu908  5642
         QD     80 TYR  QE      8.50  # rr  5     5335.0*4e   liu908  7645
         QE     24 VAL  HN      8.00  # r w 5      237.5*2e   liu908  2336
         QE     58 GLN  HA      8.00  # r w 5      260.5*2e   liu908  7952
         QE     60 ASP- HN      8.00  # r w 5      252.5*2e   liu908  7934
         QE     60 ASP- QB      9.00  # rmw 5      694.2*4e   liu908  7935
         QE     78 HIS  HA      6.50  # r   5     6015.0*2e   liu908  8750
         QE     79 ALA  HN      7.40  # r   5     1905.5*2e   liu908  7650
         QE     79 ALA  HA      8.00  # r w 5       87.0*2e   liu908  7651
         QE     79 ALA  QB      9.00  # r w 5M      86.0*2e   liu908  8751
         QE     80 TYR  HN      8.00  # r   5     1011.5*2e   liu908  7613
         QE     80 TYR  HA      8.00  # r w 5       55.0*2e   liu908  7616
         QE     80 TYR  QD      9.50  # rr  5     1592.2*4e   liu908  7624
         QE     80 TYR  QE      8.10  # rr  5     9985.0*4e   liu908  7646
 24 VAL  
         HN     24 VAL  HA      3.40  #     2    53130.0  e   liu908    14
         HN     24 VAL  HB      3.50  #     2    49300.0  e   liu908   592
         HN     24 VAL  QG1     5.10 >#     1M   17990.0  e   liu908   588
         HN     24 VAL  QG2     3.80 <#     1M  110900.0  e   liu908   595
         HN     25 LEU  HN      4.30  #     2    13020.0  e   liu908  2349
         HN     26 ASP- HN      5.80  #     3     2723.0  e   liu908  5654
         HN     79 ALA  HN      5.10  #     4     4301.0  e   liu908  5656
         HN     79 ALA  HA      6.00  #   w 4      346.0  e   liu908  7659
         HN     79 ALA  QB      6.30  #     5M   10580.0  e   liu908  5658
         HN     80 TYR  HN      6.00  #   w 4     1218.0  e   liu908  5661
         HN     80 TYR  HA      4.30  #     4    16800.0  e   liu908  5662
         HN     80 TYR  QD      7.90  # r   5     1111.0*2e   liu908  5664
         HN     81 PRO  HD2     5.40 >#     5     1892.0  e   liu908  5676
         HN     81 PRO  HD3     4.30 <#     5     7677.0  e   liu908  5675
         HA     24 VAL  HB      3.60  #     2    36100.0  e   liu908   582
         HA     24 VAL  QG1     4.00  #     1M   78150.0  e   liu908   584
         HA     24 VAL  QG2     3.80  #     1M  104400.0  e   liu908   583
         HA     25 LEU  HN      4.80  #     2     6972.0  e   liu908  2354
         HA     26 ASP- HN      5.50  #     3     3487.0  e   liu908  8144
         HA     27 GLN  HN      4.50  #     3    11560.0  e   liu908  6864
         HA     27 GLN  QG      6.50  # m   5     1646.5*2e   liu908  6865
         HA     28 ALA  HN      4.70  #     3     9285.0  e   liu908  8132
         HA     28 ALA  QB      5.40  #     3M    3101.0  e   liu908  8134
         HA     80 TYR  HA      6.00  #   w 4      249.0  e   liu908  5666
         HA     81 PRO  HD2     6.00 >#   w 5      124.0  e   liu908  7589
         HA     81 PRO  HD3     5.20 <#     5     2433.0  e   liu908  5678
         HB     24 VAL  QG1     3.90  #     1M   92200.0  e   liu908   599
         HB     24 VAL  QG2     4.00  #     1M   81390.0  e   liu908   596
         HB     25 LEU  HN      4.30  #     2    13060.0  e   liu908  2351
         HB     26 ASP- HN      6.00  #   w 3      364.0  e   liu908  8146
         HB     79 ALA  HN      6.00  #   w 5      184.0  e   liu908  7654
         QG1    25 LEU  HN      6.50  #     5M    9248.0  e   liu908  2358
         QG1    28 ALA  HN      6.30  #     5M   10620.0  e   liu908  5691
         QG1    28 ALA  HA      6.40  #     5M    9550.0  e   liu908  8451
         QG1    28 ALA  QB      6.90  # m   5M   17060.0  e   liu908  8136
         QG1    80 TYR  HA      7.00 >#   w 5M    1852.0  e   liu908  5668
         QG1    81 PRO  HA      7.00  #   w 5M    5069.0  e   liu908  7576
         QG1    81 PRO  HB3     5.30  #     5M   30580.0  e   liu908  7579
         QG1    81 PRO  HG3     7.00  #   w 5M    3925.0  e   liu908  7583
         QG1    81 PRO  HD2     7.00  #   w 5M     363.0  e   liu908  7591
         QG1    81 PRO  HD3     7.00  #   w 5M    4130.0  e   liu908  5681
         QG1    87 ILE  QG2     6.20  # m   5M   33900.0  e   liu908  8467
         QG1    87 ILE  QD1     7.80  # m   5M    6845.0  e   liu908  8468
         QG2    25 LEU  HN      7.00  #     5M    5752.0  e   liu908  2352
         QG2    26 ASP- HN      7.00  #   w 5M     276.0  e   liu908  8147
         QG2    35 ILE  QD1     7.00  # m   5M   14120.0  e   liu908  8946
         QG2    56 ILE  HG13    6.60  #     5M    8458.0  e   liu908  7976
         QG2    79 ALA  HN      7.00  #   w 5M     700.0  e   liu908  7655
         QG2    79 ALA  HA      7.00  #   w 5M    1880.0  e   liu908  7660
         QG2    80 TYR  HA      5.90 <#     5M   15620.0  e   liu908  5667
         QG2    80 TYR  HB2     6.70  #     5M    7237.0  e   liu908  5673
         QG2    80 TYR  HB3     6.50  #     5M    9158.0  e   liu908  5674
         QG2    81 PRO  HA      6.30  #     5M   10510.0  e   liu908  8466
         QG2    81 PRO  HB2     7.00  #   w 5M    3446.0  e   liu908  7595
         QG2    81 PRO  HB3     7.00  #   w 5M    3554.0  e   liu908  7578
         QG2    81 PRO  HG2     7.00  #   w 5M     666.0  e   liu908  7581
         QG2    81 PRO  HG3     7.00  #   w 5M    2826.0  e   liu908  7582
         QG2    81 PRO  HD2     6.50  #     5M    9084.0  e   liu908  5685
         QG2    81 PRO  HD3     5.00  #     5M   45170.0  e   liu908  5680
         QG2    87 ILE  QG2     6.30  # m   5M   31220.0  e   liu908  7340
         QG2    87 ILE  QD1     8.00  # m w 5M    3020.0  e   liu908  7339
 25 LEU  
         HN     25 LEU  HA      4.40  #     2    11560.0  e   liu908  2343
         HN     25 LEU  HB2     4.70  #     2     7951.0  e   liu908  2348
         HN     26 ASP- HN      3.70  #     2    33250.0  e   liu908  2359
         HN     28 ALA  HN      6.00  #   w 3      797.0  e   liu908  5693
         HN     79 ALA  HN      6.00  #   w 4     1407.0  e   liu908  7661
         HA     25 LEU  HB2     4.50  #     2     9355.0  e   liu908  2346
         HA     26 ASP- HN      4.40  #     2    12190.0  e   liu908  2361
         HA     28 ALA  HN      4.50  #     3    11530.0  e   liu908  5696
         HA     28 ALA  QB      3.60  #     3M   39330.0  e   liu908  5694
         HA     29 GLU- HN      4.70  #     3     9923.0  e   liu908  5698
         HA     35 ILE  QG2     7.00  #   w 5M     377.0  e   liu908  8948
         HA     35 ILE  QD1     5.30  #     5M   32770.0  e   liu908  8947
         HB2    26 ASP- HN      4.60  #     2    10680.0  e   liu908  2362
         HB2    26 ASP- HA      6.00  #   w 2      235.0  e   liu908  8145
         HB2    29 GLU- HN      6.00  #   w 3      385.0  e   liu908  8912
         HB2    35 ILE  HN      6.00  #     5      997.0  e   liu908  8928
         HB2    37 TYR  QD      8.00  # r w 5      459.0*2e   liu908  8991
 26 ASP- 
         HN     26 ASP- HA      3.50  #     2    47280.0  e   liu908    77
         HN     26 ASP- HB2     3.10  #     2    88810.0  e   liu908   601
         HN     26 ASP- HB3     3.50  #     2    47600.0  e   liu908   610
         HN     27 GLN  HN      3.20  #     2    82790.0  e   liu908  2379
         HN     27 GLN  HA      5.90  #     2     1964.0  e   liu908  2384
         HN     27 GLN  QB      6.40  # m   2     3466.0*2e   liu908  8143
         HN     28 ALA  HN      4.90  #     3     7630.0  e   liu908  5700
         HN     28 ALA  QB      5.70  #     3M    2307.0  e   liu908  5703
         HN     29 GLU- HN      6.00  #   w 3     1606.0  e   liu908  5710
         HN     29 GLU- QB      7.00  # m w 3     1623.0*2e   liu908  9020
         HA     26 ASP- HB2     3.40  #     2    56540.0  e   liu908   604
         HA     26 ASP- HB3     3.00  #     2   116300.0  e   liu908   605
         HA     27 GLN  HN      3.90  #     2    23120.0  e   liu908  2378
         HA     27 GLN  HA      6.00  #   w 2     1219.0  e   liu908  2385
         HA     28 ALA  HN      4.70  #     3     9961.0  e   liu908  5705
         HA     28 ALA  QB      6.00  #     3M    1637.0  e   liu908  5704
         HA     29 GLU- HN      4.30  #     3    16730.0  e   liu908  5711
         HA     29 GLU- QB      5.50  # m   3    11700.0*2e   liu908  5714
         HA     30 GLU- HN      4.80  #     3     8142.0  e   liu908  6786
         HB2    27 GLN  HN      3.50  #     2    43390.0  e   liu908  2377
         HB2    27 GLN  HA      5.50  #     2     2923.0  e   liu908  8138
         HB3    27 GLN  HN      3.10  #     2    97100.0  e   liu908  2376
         HB3    27 GLN  HA      4.80  #     2     6604.0  e   liu908  8141
 27 GLN  
         HN     27 GLN  HA      4.00  #     2    21690.0  e   liu908  2365
         HN     27 GLN  QB      4.20  # i   2    36905.0*2e   liu908  2367
         HN     27 GLN  QG      4.30  # m   1    21380.0*2e   liu908  2366
         HN     28 ALA  HN      3.20  #     2    85520.0  e   liu908  2390
         HN     28 ALA  QB      5.30  #     2M    3670.0  e   liu908  2398
         HN     29 GLU- HN      4.90  #     3     7318.0  e   liu908  8114
         HN     30 GLU- HN      5.60  #     3     3353.0  e   liu908  8102
         HA     27 GLN  QB      4.90  # m   2    24525.0*2e   liu908  2374
         HA     27 GLN  QG      4.20  # i   1    12815.0*2e   liu908  2370
         HA     28 ALA  HN      4.10  #     2    16430.0  e   liu908  2389
         HA     28 ALA  HA      6.00  #     2     1820.0  e   liu908  8118
         HA     29 GLU- HN      5.80  #     3     2534.0  e   liu908  8115
         HA     30 GLU- HN      3.80  #     3    31560.0  e   liu908  6794
         HA     30 GLU- QB      4.70  # m   3    39515.0*2e   liu908  6797
         HA     30 GLU- QG      5.20  # m   5     9095.0*2e   liu908  6796
         HA     31 GLU- HN      5.20  #     3     5273.0  e   liu908  8075
         QB     27 GLN  QG      4.50  # mm  1   107525.0*4e   liu908  2375
         QB     27 GLN  HE21    4.30 <# m   1    21250.0*2e   liu908  6721
         QB     27 GLN  HE22    5.20 ># m   1     4736.0*2e   liu908  6739
         QB     28 ALA  HN      4.80  # m   2    27630.0*2e   liu908  6717
         QB     28 ALA  HA      6.60  # m   2     2763.5*2e   liu908  8120
         QB     30 GLU- HN      6.70  # m   3     2813.5*2e   liu908  8445
         QG     27 GLN  HE21    4.70  # m   1    11035.0*2e   liu908  6744
         QG     28 ALA  HN      5.40  # m   5    11850.0*2e   liu908  6731
         QG     30 GLU- HN      7.00  # m w 5      548.0*2e   liu908  8104
 28 ALA  
         HN     28 ALA  HA      3.20  #     2    86310.0  e   liu908    24
         HN     28 ALA  QB      3.30  #   s 2M  147800.0  e   liu908   616
         HN     29 GLU- HN      3.20  #     2    76170.0  e   liu908  2400
         HN     29 GLU- QB      6.50  # m   2     2849.5*2e   liu908  8105
         HN     29 GLU- HG3     6.00  #   w 5      529.0  e   liu908  8111
         HN     30 GLU- HN      4.60  #     3    10160.0  e   liu908  6790
         HN     31 GLU- HN      6.00  #   w 3     1319.0  e   liu908  5716
         HN     33 ILE  HB      6.00  #   w 5      662.0  e   liu908  8910
         HN     33 ILE  QG2     7.00  #   w 5M    1781.0  e   liu908  5724
         HN     33 ILE  QD1     7.00  #   w 5M     995.0  e   liu908  8821
         HA     28 ALA  QB      3.30  #   s 2M  186100.0  e   liu908   614
         HA     29 GLU- HN      3.60  #     2    40760.0  e   liu908  2401
         HA     29 GLU- HA      6.00  #   w 2     1614.0  e   liu908  2405
         HA     30 GLU- HN      5.30  #     3     4681.0  e   liu908  6793
         HA     31 GLU- HN      4.00  #     3    23490.0  e   liu908  5717
         HA     31 GLU- QB      5.50  # m   3    11685.0*2e   liu908  8066
         HA     31 GLU- HG2     4.20  #     5     8640.0  e   liu908  8074
         HA     31 GLU- HG3     4.30  #     5     7627.0  e   liu908  8595
         HA     33 ILE  HN      4.50  #     4     9862.0  e   liu908  5726
         HA     33 ILE  HB      3.90  #     5    13430.0  e   liu908  5727
         HA     33 ILE  QG2     6.90  #     5M    6321.0  e   liu908  5730
         HA     33 ILE  HG13    3.50  #     5    23850.0  e   liu908  8822
         HA     33 ILE  QD1     4.80  #     5M   59260.0  e   liu908  8024
         QB     29 GLU- HN      3.30  #   s 2M   93740.0  e   liu908  2402
         QB     29 GLU- HA      4.50  #     2M    9675.0  e   liu908  2408
         QB     29 GLU- QB      8.00  # m w 5M    3097.0*2e   liu908  8107
         QB     29 GLU- HG3     7.00  #   w 5M     877.0  e   liu908  8110
         QB     30 GLU- HN      5.40  #     3M    3102.0  e   liu908  6791
         QB     31 GLU- HN      5.30  #     3M    3633.0  e   liu908  5720
         QB     31 GLU- QB      8.00  # m w 5M    4649.0*2e   liu908  8068
         QB     31 GLU- HG2     7.00 <#   w 5M    4540.0  e   liu908  8072
         QB     31 GLU- HG3     7.00 >#   w 5M    1498.0  e   liu908  8599
         QB     32 GLY  HN      5.70  #     3M    2712.0  e   liu908  8913
         QB     33 ILE  HN      5.30  #     5M   32980.0  e   liu908  5731
         QB     33 ILE  HB      4.50  #     5M   84080.0  e   liu908  5733
         QB     33 ILE  QG2     5.20  # m   5M  125100.0  e   liu908  5738
         QB     33 ILE  HG12    6.40 >#     5M   10190.0  e   liu908  8028
         QB     33 ILE  HG13    4.50 <#     5M   81410.0  e   liu908  8825
         QB     33 ILE  QD1     4.70  # m   5M  279100.0  e   liu908  5735
         QB     34 ASP- HN      6.60  #     5M    8356.0  e   liu908  5739
         QB     35 ILE  HN      7.00  #   w 5M    3506.0  e   liu908  8926
         QB     35 ILE  QD1     5.50  # m   5M   87730.0  e   liu908  8951
 29 GLU- 
         HN     29 GLU- HA      3.30  #     2    69040.0  e   liu908    15
         HN     29 GLU- QB      3.70  # i   2    91650.0*2e   liu908   633
         HN     29 GLU- HG2     3.80 >#     1     9485.0  e   liu908   630
         HN     29 GLU- HG3     3.10 <#     1    29840.0  e   liu908   621
         HN     30 GLU- HN      3.40  #     2    59050.0  e   liu908  6764
         HN     30 GLU- QB      7.00  # m w 2      877.5*2e   liu908  8096
         HN     31 GLU- HN      4.80  #     3     8414.0  e   liu908  5742
         HN     32 GLY  HN      6.00  #   w 3      801.0  e   liu908  8053
         HN     33 ILE  HN      5.70  #     3     2813.0  e   liu908  5751
         HN     33 ILE  HB      6.00  #   w 3      188.0  e   liu908  8023
         HA     29 GLU- QB      4.40  # m   2    51050.0*2e   liu908   619
         HA     29 GLU- HG2     3.50 >#     1    15310.0  e   liu908   618
         HA     29 GLU- HG3     3.00 <#     1    40180.0  e   liu908   620
         HA     30 GLU- HN      3.70  #     2    34740.0  e   liu908  6766
         HA     31 GLU- HN      4.50  #     3    12660.0  e   liu908  5744
         HA     31 GLU- QB      7.00  # m w 3      574.0*2e   liu908  5746
         HA     32 GLY  HN      3.90  #     3    29760.0  e   liu908  5749
         HA     32 GLY  HA1     5.50  #     3     3569.0  e   liu908  8056
         HA     33 ILE  HN      3.90  #     3    29700.0  e   liu908  5753
         HA     33 ILE  HA      5.50  #     3     3658.0  e   liu908  8021
         HA     33 ILE  HB      6.00  #   w 3     1909.0  e   liu908  5756
         HA     33 ILE  QD1     7.00  #   w 5M    2802.0  e   liu908  8826
         HA     34 ASP- HN      5.30  #     4     3605.0  e   liu908  5763
         HA     34 ASP- HA      5.20  #     4     3961.0  e   liu908  5762
         HA     34 ASP- HB2     6.00  #   w 5      474.0  e   liu908  5764
         HA     35 ILE  HN      6.00  #   w 4      416.0  e   liu908  8927
         QB     29 GLU- HG2     3.40  # m   1   159550.0*2e   liu908   632
         QB     29 GLU- HG3     3.40  # m   1   129700.0*2e   liu908   629
         QB     30 GLU- HN      4.60  # m   2    40565.0*2e   liu908  6769
         QB     30 GLU- HA      6.00  # m   2     5535.0*2e   liu908  8093
         QB     30 GLU- QG      5.90  # mm  5    13072.5*4e   liu908  8097
         QB     31 GLU- HN      6.70  # m   3     3072.0*2e   liu908  5748
         QB     32 GLY  HN      7.00  # m w 3      736.5*2e   liu908  8055
         QB     33 ILE  HN      7.00  # m w 3      458.0*2e   liu908  5757
         HG2    30 GLU- HN      5.50  #     5     1606.0  e   liu908  6771
         HG2    34 ASP- HA      5.20  #     5     2305.0  e   liu908  8013
         HG3    30 GLU- HN      4.90  #     5     3394.0  e   liu908  6765
 30 GLU- 
         HN     30 GLU- HA      3.70  #     2    32670.0  e   liu908  6752
         HN     30 GLU- QB      3.90  # i   2    65050.0*2e   liu908  6757
         HN     30 GLU- QG      4.40  # m   1    18150.0*2e   liu908  6754
         HN     31 GLU- HN      3.30  #     2    67320.0  e   liu908  6774
         HN     31 GLU- QB      7.00  # m   2     1766.5*2e   liu908  8060
         HN     31 GLU- HG2     5.10  #     5     2687.0  e   liu908  8063
         HN     31 GLU- HG3     5.30  #     5     2101.0  e   liu908  8603
         HN     32 GLY  HN      4.70  #     3     9651.0  e   liu908  6782
         HN     33 ILE  HN      6.00  #     3     2077.0  e   liu908  8019
         HA     30 GLU- QB      4.20  # m   2    72000.0*2e   liu908  6758
         HA     30 GLU- QG      4.00  # i   1    16595.0*2e   liu908  6760
         HA     31 GLU- HN      4.10  #     2    17520.0  e   liu908  6780
         HA     31 GLU- HA      5.80  #     2     2229.0  e   liu908  8058
         HA     31 GLU- HG2     4.80 <#     5     3840.0  e   liu908  8065
         HA     31 GLU- HG3     5.90 >#     5     1046.0  e   liu908  8596
         HA     32 GLY  HN      4.50  #     3    11620.0  e   liu908  6784
         QB     30 GLU- QG      4.70  # mm  1    64450.0*4e   liu908  6759
         QB     31 GLU- HN      4.70  # m   2    32530.0*2e   liu908  6778
         QB     31 GLU- QB      8.00  # mmw 5      256.2*4e   liu908  8061
         QB     32 GLY  HN      7.00  # m w 3     1800.0*2e   liu908  8052
         QG     31 GLU- HN      5.70  # m   5     4436.0*2e   liu908  6779
 31 GLU- 
         HN     31 GLU- HA      3.70  #     2    31500.0  e   liu908    80
         HN     31 GLU- QB      4.40  # i   2    26765.0*2e   liu908  2411
         HN     31 GLU- HG2     3.10 >#     1    28100.0  e   liu908  2414
         HN     31 GLU- HG3     2.70 <#     1    70680.0  e   liu908  8588
         HN     32 GLY  HN      3.40  #     2    55550.0  e   liu908  2420
         HN     32 GLY  HA1     5.00  #     2     5408.0  e   liu908  8045
         HN     33 ILE  HN      4.40  #     3    13630.0  e   liu908  5765
         HN     33 ILE  HB      5.80  #     3     2703.0  e   liu908  5768
         HN     33 ILE  QD1     7.00  #   w 5M    3522.0  e   liu908  8829
         HA     31 GLU- QB      4.90  # m   2    23960.0*2e   liu908  2416
         HA     31 GLU- HG2     2.70 <#     1    78410.0  e   liu908  2418
         HA     31 GLU- HG3     3.80 >#     1     9354.0  e   liu908  8594
         HA     32 GLY  HN      4.10  #     2    16630.0  e   liu908  2424
         HA     32 GLY  HA1     6.00 >#   w 2      569.0  e   liu908  8048
         HA     32 GLY  HA2     5.50 <#     2     2957.0  e   liu908  8050
         HA     33 ILE  HN      5.90  #     3     2361.0  e   liu908  5769
         QB     31 GLU- HG2     3.60  # m   1    79600.0*2e   liu908  2419
         QB     31 GLU- HG3     3.90  # m   1    45000.0*2e   liu908  8589
         QB     32 GLY  HN      7.00  # m w 2     1649.5*2e   liu908  2423
         QB     33 ILE  HN      5.80  # m   3     7930.0*2e   liu908  5773
         QB     33 ILE  HB      7.00  # m w 5         .0*2e   liu908  8018
         QB     33 ILE  QD1     7.30  # m   5M   10685.0*2e   liu908  8830
         HG2    32 GLY  HN      4.50  #     5     5750.0  e   liu908  2426
         HG2    33 ILE  HN      5.10  #     5     2614.0  e   liu908  5772
         HG3    32 GLY  HN      4.30  #     5     7166.0  e   liu908  8601
         HG3    33 ILE  HN      5.60  #     5     1446.0  e   liu908  8598
 32 GLY  
         HN     32 GLY  HA1     3.00 <#     2   114400.0  e   liu908    35
         HN     32 GLY  HA2     3.60 >#     2    40090.0  e   liu908    36
         HN     33 ILE  HN      2.90  #     2   143900.0  e   liu908  2429
         HN     33 ILE  HB      5.70  #     2     2290.0  e   liu908  8015
         HN     33 ILE  HG13    6.00  #   w 5      423.0  e   liu908  8915
         HN     33 ILE  QD1     7.00  #   w 5M     442.0  e   liu908  8016
         HA1    33 ILE  HN      3.80  #     2    30050.0  e   liu908  2430
         HA1    33 ILE  HB      6.00  #   w 2      121.0  e   liu908  8017
         HA1    34 ASP- HN      6.00  #   w 3      386.0  e   liu908  5775
         HA2    33 ILE  HN      3.90  #     2    25430.0  e   liu908  2428
 33 ILE  
         HN     33 ILE  HA      3.60  #     2    41730.0  e   liu908    40
         HN     33 ILE  HB      2.90  #     2   149900.0  e   liu908   645
         HN     33 ILE  QG2     4.90  #     1M   23480.0  e   liu908   648
         HN     33 ILE  HG12    4.20 >#     1     5058.0  e   liu908   655
         HN     33 ILE  HG13    3.10 <#     1    32520.0  e   liu908  8788
         HN     33 ILE  QD1     5.20  #     1M   15880.0  e   liu908   656
         HN     34 ASP- HN      4.60  #     2     9236.0  e   liu908  2450
         HA     33 ILE  HB      3.90  #     2    25380.0  e   liu908   642
         HA     33 ILE  QG2     4.00  #     1M   80550.0  e   liu908   667
         HA     33 ILE  HG12    5.00 >#     1     1687.0  e   liu908   657
         HA     33 ILE  HG13    3.10 <#     1    31680.0  e   liu908  8801
         HA     33 ILE  QD1     4.70  #     1M   28300.0  e   liu908   664
         HA     34 ASP- HN      2.70  #     2   246700.0  e   liu908  2446
         HA     34 ASP- HB2     4.60  #     2     8815.0  e   liu908  2453
         HA     34 ASP- HB3     4.80  #     2     6860.0  e   liu908  2454
         HA     35 ILE  HN      6.00  #   w 3      486.0  e   liu908  8836
         HB     33 ILE  QG2     3.50  #     1M  174000.0  e   liu908   643
         HB     33 ILE  HG12    3.00  #     1    40410.0  e   liu908   659
         HB     33 ILE  HG13    3.10  #     1    31720.0  e   liu908  8790
         HB     33 ILE  QD1     4.30  #     1M   52230.0  e   liu908   665
         HB     34 ASP- HN      4.50  #     2     9646.0  e   liu908  2447
         HB     35 ILE  QD1     5.60  #     5M   22120.0  e   liu908  8952
         QG2    33 ILE  HG12    4.30  #     1M   51460.0  e   liu908  8797
         QG2    33 ILE  HG13    3.90  #     1M   86320.0  e   liu908  8795
         QG2    33 ILE  QD1     4.40  # m   1M  203700.0  e   liu908   666
         QG2    34 ASP- HN      4.90  #     5M   50640.0  e   liu908  2449
         QG2    34 ASP- HB2     7.00 >#   w 5M    1778.0  e   liu908  8008
         QG2    34 ASP- HB3     6.80 <#     5M    6622.0  e   liu908  8012
         QG2    35 ILE  HN      6.20  #     5M   11940.0  e   liu908  8837
         QG2    35 ILE  HA      7.00  #   w 5M    3537.0  e   liu908  8838
         HG12   33 ILE  QD1     3.70  #     1M  137400.0  e   liu908  8026
         HG12   34 ASP- HN      4.30 <#     5     7670.0  e   liu908  8806
         HG13   33 ILE  QD1     3.60  #     1M  146000.0  e   liu908  8796
         HG13   34 ASP- HN      5.60 >#     5     1441.0  e   liu908  8805
         QD1    34 ASP- HN      7.00  #     5M    5950.0  e   liu908  2448
 34 ASP- 
         HN     34 ASP- HA      3.90  #     2    24760.0  e   liu908  2434
         HN     34 ASP- HB2     3.10  #     2    88110.0  e   liu908  2438
         HN     34 ASP- HB3     3.20  #     2    78980.0  e   liu908  2437
         HN     35 ILE  HN      4.60  #     2     8376.0  e   liu908  2436
         HA     34 ASP- HB2     3.40  #     2    53900.0  e   liu908  2443
         HA     34 ASP- HB3     3.20  #     2    87000.0  e   liu908  2441
         HA     35 ILE  HN      2.90  #     2   133100.0  e   liu908  2463
         HA     35 ILE  HA      6.00  #   w 2      652.0  e   liu908  8004
         HA     35 ILE  HB      5.70  #     2     2411.0  e   liu908  8932
         HB2    35 ILE  HN      4.80  #     2     6652.0  e   liu908  2462
         HB2    35 ILE  HA      6.00 >#   w 2      296.0  e   liu908  8930
         HB3    35 ILE  HN      4.80  #     2     6488.0  e   liu908  2461
         HB3    35 ILE  HA      4.80 <#     2     6676.0  e   liu908  8929
 35 ILE  
         HN     35 ILE  HA      3.60  #     2    38870.0  e   liu908    42
         HN     35 ILE  HB      4.00  #     2    20680.0  e   liu908  6922
         HN     35 ILE  QG2     4.30  #     1M   53050.0  e   liu908  6927
         HN     35 ILE  HG12    6.00 >#   w 1      440.0  e   liu908  6929
         HN     35 ILE  HG13    3.60 <#     1    28900.0  e   liu908  6923
         HN     35 ILE  QD1     5.70  #     1M    9403.0  e   liu908  6928
         HN     36 PRO  HA      5.80  #     2     2076.0  e   liu908  8939
         HN     36 PRO  HD2     5.20  #     5     2439.0  e   liu908  2467
         HN     36 PRO  HD3     5.30  #     5     2179.0  e   liu908  2468
         HA     35 ILE  HB      3.50  #     2    47690.0  e   liu908  6921
         HA     35 ILE  QG2     6.20  #     1M    5434.0  e   liu908  7028
         HA     35 ILE  HG13    3.90  #     1     8100.0  e   liu908  7025
         HA     35 ILE  QD1     7.00  #   w 1M     484.0  e   liu908  7027
         HA     36 PRO  HA      6.00  #   w 2      422.0  e   liu908  8940
         HA     36 PRO  QB      7.00  # m w 2       56.0*2e   liu908  8931
         HA     36 PRO  HG2     4.80 <#     5     3809.0  e   liu908  7995
         HA     36 PRO  HG3     6.00 >#   w 5      605.0  e   liu908  7994
         HA     36 PRO  HD2     3.00  #     5    64260.0  e   liu908  2473
         HA     36 PRO  HD3     2.60  #     5   155600.0  e   liu908  2470
         HA     89 THR  QG2     7.00  #   w 5M    1292.0  e   liu908  8957
         HA     90 HIS  HE1     3.30  #     5    40700.0  e   liu908  5776
         HB     35 ILE  QG2     4.60  #     1M   32900.0  e   liu908  7987
         HB     35 ILE  HG12    3.10  #     1    27740.0  e   liu908  7977
         HB     35 ILE  HG13    3.20  #     1    26100.0  e   liu908  7978
         HB     35 ILE  QD1     5.10  #     1M   18550.0  e   liu908  7980
         HB     36 PRO  HD2     3.90 <#     5    39570.0  e   liu908  7998
         HB     36 PRO  HD3     4.30 >#     5     9703.0  e   liu908  8933
         HB     76 THR  QG2     7.00  #   w 5M     903.0  e   liu908  8962
         HB     89 THR  HB      5.10  #     5     2490.0  e   liu908  8958
         HB     89 THR  QG2     7.00  #   w 5M    4330.0  e   liu908  8959
         QG2    35 ILE  HG12    4.30  #     1M   54230.0  e   liu908  7988
         QG2    35 ILE  HG13    3.90  #     1M   85810.0  e   liu908  7989
         QG2    35 ILE  QD1     5.00  # m   1M   77860.0  e   liu908  7993
         QG2    90 HIS  HE1     6.90  #     5M    6166.0  e   liu908  8964
         HG12   89 THR  QG2     7.00 >#   w 5M    1383.0  e   liu908  8961
         HG13   35 ILE  QD1     4.60  #     1M   32650.0  e   liu908  7992
         HG13   36 PRO  HD2     6.00  #   w 5      378.0  e   liu908  8941
         HG13   89 THR  QG2     7.00 <#   w 5M    3715.0  e   liu908  8960
         QD1    36 PRO  HD2     6.50  #     5M    9102.0  e   liu908  8001
         QD1    36 PRO  HD3     7.00  #     5M    5899.0  e   liu908  8000
         QD1    76 THR  QG2     7.90  # m   5M    6060.0  e   liu908  8963
         QD1    89 THR  HB      7.00  #   w 5M     937.0  e   liu908  8956
         QD1    89 THR  QG2     6.10  # m   5M   40080.0  e   liu908  8954
         QD1    90 HIS  HE1     6.40  #     5M   10270.0  e   liu908  7243
 36 PRO  
         HA     36 PRO  QB      5.10  # m   2    16790.0*2e   liu908  6963
         HA     36 PRO  HG2     4.50 <#     1     3312.0  e   liu908  8935
         HA     36 PRO  HG3     5.90 >#     1      606.0  e   liu908  8934
         HA     36 PRO  HD3     5.70  #     1      713.0  e   liu908  8936
         HA     37 TYR  HN      3.90  #     2    22720.0  e   liu908  8967
         HA     90 HIS  HD1     6.00  #   w 5      758.0  e   liu908  8965
         QB     36 PRO  HG2     5.00 ># m   1     6745.0*2e   liu908  6976
         QB     36 PRO  HG3     4.40 <# m   1    18235.0*2e   liu908  7216
         QB     36 PRO  HD2     3.90 <# m   1    45380.0*2e   liu908  6967
         QB     36 PRO  HD3     4.90 ># m   1     7160.0*2e   liu908  6972
         QB     37 TYR  HN      6.60  # m   2     2559.5*2e   liu908  8969
         QB     90 HIS  HA      7.00  # m w 5       98.5*2e   liu908  7221
         HG2    36 PRO  HD2     3.70  #     1    11150.0  e   liu908  6975
         HG2    36 PRO  HD3     3.10  #     1    28810.0  e   liu908  6971
         HG2    90 HIS  HA      4.00 <#     5    11500.0  e   liu908  7211
         HG2    90 HIS  QB      7.00  # m   5      962.0*2e   liu908  7224
         HG2    90 HIS  HD1     3.80 <#     5    15590.0  e   liu908  7229
         HG2    90 HIS  HE1     6.00 >#   w 5       95.0  e   liu908  7237
         HG3    36 PRO  HD2     3.80  #     1     8771.0  e   liu908  6974
         HG3    36 PRO  HD3     3.20  #     1    25280.0  e   liu908  7215
         HG3    90 HIS  HA      5.10 >#     5     2658.0  e   liu908  7220
         HG3    90 HIS  QB      6.60  # m   5     1505.5*2e   liu908  7225
         HG3    90 HIS  HD1     4.70 >#     5     4087.0  e   liu908  7231
         HG3    90 HIS  HE1     5.70 <#     5     1370.0  e   liu908  7236
         HD2    90 HIS  HD1     4.30  #     5     7113.0  e   liu908  7235
         HD2    90 HIS  HE1     4.00  #     5    11890.0  e   liu908  7240
         HD3    90 HIS  HN      5.70  #     5     1289.0  e   liu908  7210
         HD3    90 HIS  HA      6.00  #   w 5      105.0  e   liu908  7223
         HD3    90 HIS  HD1     4.10  #     5     9218.0  e   liu908  7233
         HD3    90 HIS  HE1     3.60  #     5    22520.0  e   liu908  7239
 37 TYR  
         HN     37 TYR  HA      4.80  #     2     6401.0  e   liu908  8970
         HN     37 TYR  QD      8.00  # r w 1      226.0*2e   liu908  8971
         HA     37 TYR  QD      5.20  # m   1     4777.0*2e   liu908  8972
         HB2    37 TYR  QD      5.60  # r   1    12430.0*2e   liu908  8973
         HB3    37 TYR  QD      5.20  # r   1    26620.0*2e   liu908  8974
         HB3    37 TYR  QE      6.00  # r   1     6340.0*2e   liu908  8979
         QD     40 ARG+ HA      8.00  # r w 5      246.0*2e   liu908  9026
         QD     40 ARG+ HB2     6.10  # r   5    10155.0*2e   liu908  9025
 40 ARG+ 
         HN     40 ARG+ HA      4.70  #     2     8000.0  e   liu908    12
         HA     40 ARG+ HB3     5.90  #     2     1878.0  e   liu908  6962
 41 ALA  
         HN     41 ALA  HA      5.60  #     2     2696.0  e   liu908  6746
         HN     41 ALA  QB      4.00  #     2M   19730.0  e   liu908  6748
         HN     42 GLY  HN      3.40  #     2    56410.0  e   liu908  8903
         HN     42 GLY  HA1     6.00  #   w 2     1317.0  e   liu908  8902
         QB     42 GLY  HN      5.60  #     2M    2402.0  e   liu908  8900
 42 GLY  
         HN     42 GLY  HA1     6.00  #   w 2     1240.0  e   liu908  8889
         HN     42 GLY  HA2     6.00  #   w 2      862.0  e   liu908  8890
         HN     43 SER  HN      5.20  #     2     4308.0  e   liu908  8906
         HN     61 GLN  HA      6.00  #   w 4     1487.0  e   liu908  8891
         HA1    43 SER  HN      6.00  #   w 2      992.0  e   liu908  8905
         HA1    61 GLN  HN      6.00 >#   w 4      231.0  e   liu908  8892
         HA1    61 GLN  HA      5.00 <#     4     5114.0  e   liu908  8894
         HA1    61 GLN  QB      7.00 ># m w 5      413.5*2e   liu908  8896
         HA2    61 GLN  HN      5.10 <#     4     4489.0  e   liu908  8893
         HA2    61 GLN  HA      6.00 >#   w 4      192.0  e   liu908  8898
         HA2    61 GLN  QB      6.30 <# m   5     2154.5*2e   liu908  8897
 48 ALA  
         HA     48 ALA  QB      4.80  #     2M    5986.0  e   liu908  6959
         HA     49 GLY  HN      6.00  #   w 2       59.0  e   liu908  7012
         HA     74 VAL  HN      4.50  #     4     9644.0  e   liu908  7691
         QB     49 GLY  HN      5.00  #     2M    4842.0  e   liu908  7013
         QB     64 LEU  QD2     8.00  # m   5M    5925.0  e   liu908  9081
         QB     91 LYS+ HN      7.00  #   w 5M    2067.0  e   liu908  7199
         QB     95 ILE  HG12    6.10  #     5M   13470.0  e   liu908  7174
         QB     95 ILE  QD1     6.50  # m   5M   25780.0  e   liu908  7173
 49 GLY  
         HN     49 GLY  HA1     4.00  #     2    20260.0  e   liu908  6456
         HN     49 GLY  HA2     3.80  #     2    29870.0  e   liu908  6455
         HN     50 LYS+ HN      4.50  #     2    11300.0  e   liu908  6450
# nov8   HN     50 LYS+ HN      4.40  #     2    11300.0  e   liu908  6450
         HN     73 TYR  HA      5.20  #     4     4044.0  e   liu908  6601
         HN     73 TYR  HB3     6.00  #     5      948.0  e   liu908  6605
         HN     73 TYR  QD      7.60  # r   5     1461.5*2e   liu908  6604
         HN     74 VAL  HN      3.90  #     4    21120.0  e   liu908  6647
         HN     74 VAL  HB      6.00  #   w 5      879.0  e   liu908  6646
         HN     74 VAL  QG1     5.90 <#     5M   16440.0  e   liu908  8474
         HN     74 VAL  QG2     7.00 >#   w 5M    3347.0  e   liu908  6645
         HN     76 THR  QG2     7.00  #   w 5M    3164.0  e   liu908  8584
         HN     87 ILE  QG1     7.00  # m w 5      222.0*2e   liu908  6611
         HN     87 ILE  QD1     7.00  #   w 5M    2380.0  e   liu908  6617
         HN     89 THR  HA      6.00  #   w 4      443.0  e   liu908  6621
         HN     91 LYS+ HN      6.00  #   w 4      672.0  e   liu908  6632
         HN     91 LYS+ QB      6.20  # m   5     2363.0*2e   liu908  6633
         HN     91 LYS+ HG2     6.00  #   w 5      925.0  e   liu908  6634
         HA1    50 LYS+ HN      3.10  #     2    97990.0  e   liu908  6458
         HA1    73 TYR  QE      7.40 <# r   5     1894.5*2e   liu908  8488
         HA1    74 VAL  HN      5.30 <#     4     3544.0  e   liu908  7693
         HA1    87 ILE  QG1     5.80 <# m   5     3971.5*2e   liu908  7336
         HA1    87 ILE  QD1     7.00 >#   w 5M    3020.0  e   liu908  7337
         HA1    88 GLU- HN      5.80  #     4     2107.0  e   liu908  7280
         HA1    89 THR  HA      6.00 >#   w 4      299.0  e   liu908  6623
         HA1    89 THR  QG2     7.00  #   w 5M    5463.0  e   liu908  6628
         HA1    90 HIS  HN      5.40  #     4     3108.0  e   liu908  6631
         HA1    91 LYS+ QB      4.40  # m   5    31630.0*2e   liu908  6642
         HA1    91 LYS+ HG2     3.60  #     5    22040.0  e   liu908  6643
         HA2    50 LYS+ HN      3.20  #     2    86240.0  e   liu908  6459
         HA2    73 TYR  QD      8.00  # r w 5      315.5*2e   liu908  6606
         HA2    73 TYR  QE      8.00 ># r w 5      115.0*2e   liu908  6607
         HA2    74 VAL  HN      6.00 >#   w 4      560.0  e   liu908  6657
         HA2    74 VAL  HB      6.00  #   w 5      281.0  e   liu908  6658
         HA2    76 THR  QG2     7.00  #   w 5M    4661.0  e   liu908  8586
         HA2    87 ILE  QG2     5.50  #     5M   25150.0  e   liu908  6653
         HA2    87 ILE  QG1     7.00 ># m w 5      490.0*2e   liu908  6612
         HA2    87 ILE  QD1     4.80 <#     5M   57460.0  e   liu908  6616
         HA2    88 GLU- HN      5.10  #     4     4202.0  e   liu908  6619
         HA2    89 THR  HN      6.00  #   w 4      308.0  e   liu908  6622
         HA2    89 THR  HA      5.00 <#     4     4993.0  e   liu908  6625
         HA2    89 THR  QG2     7.00  #     5M    5981.0  e   liu908  6626
         HA2    90 HIS  HN      5.40  #     4     3123.0  e   liu908  6629
         HA2    91 LYS+ HN      5.00  #     4     5127.0  e   liu908  6636
         HA2    91 LYS+ QB      4.70  # m   5    17500.0*2e   liu908  6638
         HA2    91 LYS+ HG2     3.90  #     5    13810.0  e   liu908  6640
         HA2    91 LYS+ HD2     6.00  #   w 5      482.0  e   liu908  8771
 50 LYS+ 
         HN     50 LYS+ HA      3.70  #     2    33110.0  e   liu908    78
         HN     50 LYS+ HB2     3.50 <#     2    43010.0  e   liu908   778
         HN     50 LYS+ HB3     4.50 >#     2     9585.0  e   liu908   790
         HN     50 LYS+ QG      5.10  # m   1     5655.0*2e   liu908   792
         HN     50 LYS+ HD2     4.30 <#     1     4056.0  e   liu908   781
         HN     50 LYS+ HD3     5.30 >#     1     1200.0  e   liu908  3002
         HN     51 VAL  HN      6.00  #   w 2         .0  e   liu908  3046
         HN     73 TYR  QD      6.50  # r   5     5330.0*2e   liu908  5778
         HN     73 TYR  QE      7.30  # r   5     1993.5*2e   liu908  5780
         HN     74 VAL  HN      6.00  #   w 4      955.0  e   liu908  5811
         HN     87 ILE  HA      5.10  #     4     4267.0  e   liu908  5830
         HN     87 ILE  HB      6.00  #   w 5      591.0  e   liu908  5831
         HN     87 ILE  QG1     4.40  # m   5    29805.0*2e   liu908  5835
         HN     87 ILE  QD1     5.20  #     5M   35990.0  e   liu908  5833
         HN     88 GLU- HN      3.60  #     4    37120.0  e   liu908  5821
         HN     88 GLU- HA      4.70  #     4     7137.0  e   liu908  5822
         HN     88 GLU- HB2     3.30  #     5    34310.0  e   liu908  5825
         HN     88 GLU- HG3     6.00  #   w 5      586.0  e   liu908  7279
         HN     89 THR  HN      5.80  #     4     2024.0  e   liu908  5836
         HN     89 THR  HA      4.60  #     4     8021.0  e   liu908  5838
         HN     91 LYS+ HN      5.80  #     4     2079.0  e   liu908  5840
         HN     91 LYS+ QB      4.80  # m   5    15960.0*2e   liu908  5842
         HN     91 LYS+ HG2     3.80  #     5    16480.0  e   liu908  5843
         HN     91 LYS+ HG3     3.80  #     5    16740.0  e   liu908  5846
         HN     91 LYS+ QE      7.00  # m w 5      781.5*2e   liu908  7198
         HA     50 LYS+ HB2     4.30  #     2    13370.0  e   liu908   785
         HA     50 LYS+ HB3     4.40  #     2    11610.0  e   liu908   786
         HA     50 LYS+ QG      3.70  # i   1    29300.0*2e   liu908   787
         HA     50 LYS+ HD2     4.40 <#     1     3766.0  e   liu908   793
         HA     50 LYS+ HD3     5.50 >#     1      946.0  e   liu908  5805
         HA     50 LYS+ HE2     5.70  #     1      713.0  e   liu908   783
         HA     50 LYS+ HE3     5.80  #     1      679.0  e   liu908   784
         HA     51 VAL  HN      2.80  #     2   172200.0  e   liu908  3042
         HA     72 GLY  HN      6.00  #   w 4      144.0  e   liu908  7791
         HA     73 TYR  HN      5.00  #     4     4779.0  e   liu908  5781
         HA     73 TYR  HA      4.60  #     4     7979.0  e   liu908  5782
         HA     73 TYR  HB2     5.10  #     5     2524.0  e   liu908  8470
         HA     73 TYR  HB3     5.00  #     5     2938.0  e   liu908  7738
         HA     73 TYR  QD      6.00  # r   5    12080.0*2e   liu908  5783
         HA     73 TYR  QE      6.60  # r   5     4683.0*2e   liu908  5784
         HA     74 VAL  HN      4.10  #     4    16550.0  e   liu908  5812
         HA     74 VAL  HB      5.70  #     5     1307.0  e   liu908  5813
         HA     74 VAL  QG1     7.00  #   w 5M    4345.0  e   liu908  5814
         HA     87 ILE  QG1     5.40  # m   5     6405.0*2e   liu908  7334
         HA     87 ILE  QD1     6.20  #     5M   12460.0  e   liu908  7335
         HB2    50 LYS+ QG      4.20 ># m   1    25850.0*2e   liu908   812
         HB2    50 LYS+ HD2     2.60  #     1    95390.0  e   liu908   805
         HB2    50 LYS+ HD3     3.00  #     1    36150.0  e   liu908  3018
         HB2    50 LYS+ HE2     5.40  #     1     1021.0  e   liu908   795
         HB2    50 LYS+ HE3     4.30  #     1     4289.0  e   liu908   801
         HB2    51 VAL  HN      4.60  #     2     8545.0  e   liu908  3043
         HB2    73 TYR  QD      5.30 <# r   5    36655.0*2e   liu908  5790
         HB2    73 TYR  QE      6.10 <# r   5     9245.0*2e   liu908  5791
         HB2    88 GLU- HN      5.10  #     5     2610.0  e   liu908  7276
         HB2    88 GLU- HB2     3.80  #     5    16720.0  e   liu908  7277
         HB3    50 LYS+ QG      3.40 <# m   1   144100.0*2e   liu908   813
         HB3    50 LYS+ HD2     3.90  #     1     7851.0  e   liu908   809
         HB3    50 LYS+ HD3     3.30  #     1    18930.0  e   liu908  3011
         HB3    50 LYS+ HE2     4.70  #     1     2497.0  e   liu908   806
         HB3    50 LYS+ HE3     6.00  #   w 1      351.0  e   liu908  3012
         HB3    51 VAL  HN      4.20  #     2    15900.0  e   liu908  3044
         HB3    73 TYR  HA      5.50  #     5     1704.0  e   liu908  7737
         HB3    73 TYR  QD      7.70 ># r   5     1366.0*2e   liu908  5793
         HB3    73 TYR  QE      7.50 ># r   5     1743.5*2e   liu908  5792
         HB3    88 GLU- HN      5.80  #     5     1262.0  e   liu908  5827
         HB3    88 GLU- HB2     4.00  #     5    12050.0  e   liu908  5828
         QG     50 LYS+ HD2     3.90  # m   1    42255.0*2e   liu908  3010
         QG     50 LYS+ HD3     4.30  # m   1    20345.0*2e   liu908  3014
         QG     50 LYS+ HE2     4.90  # m   1     7845.0*2e   liu908   810
         QG     50 LYS+ HE3     4.70  # m   1     9720.0*2e   liu908   811
         QG     51 VAL  HN      5.20  # m   5     8540.0*2e   liu908  3045
         QG     51 VAL  HA      7.00  # m w 5      495.5*2e   liu908  8547
         QG     72 GLY  HN      7.00  # m w 5      283.0*2e   liu908  7792
         QG     72 GLY  HA1     6.10  # m   5     2678.5*2e   liu908  5819
         QG     72 GLY  HA2     5.60  # m   5     4796.0*2e   liu908  5820
         QG     73 TYR  HN      6.70  # m   5     1354.5*2e   liu908  5800
         QG     73 TYR  HA      5.30  # m   5     7780.0*2e   liu908  5797
         QG     73 TYR  QD      8.10  # mr  5     2520.0*4e   liu908  5795
         QG     73 TYR  QE      7.90  # mr  5     3425.0*4e   liu908  5796
         HD2    50 LYS+ HE3     3.50  #     1    14490.0  e   liu908   800
         HD2    73 TYR  QD      5.90 <# r   5    13785.0*2e   liu908  5802
         HD2    73 TYR  QE      5.50 <# r   5    25940.0*2e   liu908  5801
         HD2    88 GLU- HN      6.00  #   w 5      883.0  e   liu908  8852
         HD2    94 GLU- QB      5.70  # m   5     4108.0*2e   liu908  7183
         HD3    50 LYS+ HE2     3.30  #     1    20260.0  e   liu908  3016
         HD3    50 LYS+ HE3     3.80  #     1     8141.0  e   liu908  3017
         HD3    73 TYR  QD      7.40 ># r   5     1846.5*2e   liu908  5808
         HD3    73 TYR  QE      6.80 ># r   5     3793.0*2e   liu908  5806
         HE2    72 GLY  HA1     6.00  #   w 5      554.0  e   liu908  8425
         HE2    73 TYR  QE      7.20 ># r   5     2273.5*2e   liu908  8840
         HE3    72 GLY  HA1     6.00  #   w 5      766.0  e   liu908  7794
         HE3    73 TYR  QE      6.30 <# r   5     7065.0*2e   liu908  8841
 51 VAL  
         HN     51 VAL  HA      3.60  #     2    41320.0  e   liu908    19
         HN     51 VAL  HB      2.90  #     2   132200.0  e   liu908  3025
         HN     51 VAL  QG1     4.80 >#     1M   27530.0  e   liu908  3024
         HN     51 VAL  QG2     4.00 <#     1M   85090.0  e   liu908  3028
         HN     52 VAL  HN      4.50  #     2     9859.0  e   liu908  3074
         HN     52 VAL  HA      6.00  #   w 2      977.0  e   liu908  3069
         HN     72 GLY  HN      5.80  #     4     2090.0  e   liu908  5848
         HN     72 GLY  HA1     4.30  #     4    13070.0  e   liu908  5849
         HN     72 GLY  HA2     4.00  #     4    19740.0  e   liu908  5850
         HN     73 TYR  HN      5.40  #     4     3104.0  e   liu908  5863
         HN     73 TYR  HA      4.00  #     4    18310.0  e   liu908  7342
         HN     73 TYR  QD      7.80  # r   5     1211.5*2e   liu908  7740
         HN     74 VAL  HN      5.90  #     4     1754.0  e   liu908  7695
         HN     74 VAL  HB      4.20  #     5     9167.0  e   liu908  5876
         HN     74 VAL  QG1     5.40 <#     5M   26640.0  e   liu908  5872
         HN     74 VAL  QG2     6.70 >#     5M    7510.0  e   liu908  5875
         HA     51 VAL  HB      3.20  #     2    82430.0  e   liu908  3033
         HA     51 VAL  QG1     4.00  #     1M   76800.0  e   liu908  3039
         HA     51 VAL  QG2     3.60  #     1M  139800.0  e   liu908  3036
         HA     52 VAL  HN      2.70  #     2   246400.0  e   liu908  3073
         HA     52 VAL  HA      4.90  #     2     6036.0  e   liu908  3081
         HA     52 VAL  HB      4.50  #     2     9609.0  e   liu908  3087
         HA     52 VAL  QG1     7.00 >#   w 5M    4057.0  e   liu908  3086
         HA     52 VAL  QG2     5.90 <#     5M   15670.0  e   liu908  3088
         HA     53 SER  HN      4.60  #     3    11380.0  e   liu908  8780
         HA     74 VAL  HB      5.30  #     5     1993.0  e   liu908  5877
         HA     74 VAL  QG1     5.70  #     5M   19600.0  e   liu908  5880
         HA     74 VAL  QG2     6.70  #     5M    7876.0  e   liu908  5879
         HA     85 VAL  QQG     8.40  #   w 5M    1981.5*2e   liu908  7437
         HA     86 VAL  HN      6.00  #   w 4      656.0  e   liu908  7386
         HA     87 ILE  HN      5.30  #     4     3498.0  e   liu908  5885
         HA     87 ILE  HA      3.30  #     4    61420.0  e   liu908  5883
         HA     87 ILE  HB      3.80  #     5    16080.0  e   liu908  5886
         HA     87 ILE  QG1     5.40  # m   5     6775.0*2e   liu908  7333
         HA     88 GLU- HN      3.90  #     4    21940.0  e   liu908  5888
         HB     51 VAL  QG1     3.60  #     1M  147500.0  e   liu908  3040
         HB     51 VAL  QG2     3.60  #     1M  146700.0  e   liu908  3037
         HB     52 VAL  HN      4.90  #     2     6153.0  e   liu908  3072
         HB     53 SER  HN      5.70  #     3     2836.0  e   liu908  8781
         HB     72 GLY  HN      5.00  #     5     2845.0  e   liu908  5851
         HB     72 GLY  HA1     3.70  #     5    19220.0  e   liu908  5852
         HB     72 GLY  HA2     4.30  #     5     7946.0  e   liu908  5855
         HB     73 TYR  QD      7.60  # r   5     1524.5*2e   liu908  5870
         HB     87 ILE  HA      5.90  #     5     1073.0  e   liu908  7326
         QG1    52 VAL  HN      4.70  #     5M   62920.0  e   liu908  3071
         QG1    52 VAL  HA      6.80 <#     5M    6669.0  e   liu908  3080
         QG1    53 SER  HN      4.50  #     5M   80270.0  e   liu908  8776
         QG1    53 SER  HA      6.80  #     5M    7108.0  e   liu908  8778
         QG1    54 GLY  HN      6.90  #     5M    6264.0  e   liu908  8785
         QG1    55 SER  HN      7.00  #   w 5M    4076.0  e   liu908  8784
         QG1    56 ILE  HN      6.80  #     5M    6633.0  e   liu908  7972
         QG1    56 ILE  HG12    6.70  #     5M    7414.0  e   liu908  7973
         QG1    56 ILE  HG13    6.60  #     5M    8623.0  e   liu908  7975
         QG1    72 GLY  HN      7.00  #   w 5M    1258.0  e   liu908  5861
         QG1    72 GLY  HA1     6.20  #     5M   12260.0  e   liu908  5857
         QG1    72 GLY  HA2     7.00  #   w 5M     363.0  e   liu908  7798
         QG1    74 VAL  HB      5.60 >#     5M   21220.0  e   liu908  7701
         QG1    74 VAL  QG2     7.10  # m   5M   13900.0  e   liu908  7706
         QG1    85 VAL  HA      7.00  #   w 5M    3328.0  e   liu908  7432
         QG1    85 VAL  HB      6.40  #     5M    9765.0  e   liu908  7436
         QG1    85 VAL  QQG     7.30  # m   5M   49420.0*2e   liu908  7439
         QG1    86 VAL  HN      6.10 <#     5M   12970.0  e   liu908  7388
         QG1    87 ILE  HA      6.10  #     5M   13160.0  e   liu908  7327
         QG1    87 ILE  HB      5.10  #     5M   40030.0  e   liu908  7331
         QG2    52 VAL  HN      5.20  #     5M   34890.0  e   liu908  3070
         QG2    52 VAL  HA      7.00 >#   w 5M    2036.0  e   liu908  3082
         QG2    56 ILE  HG12    5.50  #     5M   24200.0  e   liu908  7974
         QG2    58 GLN  HE21    5.40  #     5M   28780.0  e   liu908  8992
         QG2    58 GLN  HE22    5.50  #     5M   27830.0  e   liu908  8993
         QG2    72 GLY  HN      7.00  #   w 5M    2240.0  e   liu908  8465
         QG2    72 GLY  HA1     6.30  #     5M   10520.0  e   liu908  5856
         QG2    72 GLY  HA2     7.00  #   w 5M    1661.0  e   liu908  7799
         QG2    73 TYR  HA      7.00  #   w 5M    5463.0  e   liu908  7739
         QG2    73 TYR  QD      8.70  # r   5M    7325.0*2e   liu908  5868
         QG2    74 VAL  HN      7.00  #   w 5M    2393.0  e   liu908  7698
         QG2    74 VAL  HB      4.90 <#     5M   53320.0  e   liu908  7699
         QG2    74 VAL  QG1     5.50  # m   5M   79700.0  e   liu908  7708
         QG2    74 VAL  QG2     6.10  # m   5M   39220.0  e   liu908  7704
         QG2    86 VAL  HN      7.00 >#   w 5M    1851.0  e   liu908  4826
         QG2    87 ILE  HA      6.00  #     5M   14450.0  e   liu908  7328
         QG2    87 ILE  HB      4.50  #     5M   83270.0  e   liu908  7329
 52 VAL  
         HN     52 VAL  HA      3.60  #     2    39880.0  e   liu908    63
         HN     52 VAL  HB      3.20  #     2    80590.0  e   liu908  3051
         HN     52 VAL  QG1     5.50 >#     1M   11980.0  e   liu908  3053
         HN     52 VAL  QG2     4.00 <#     1M   81120.0  e   liu908  3049
         HN     53 SER  HN      2.80  #     2   162000.0  e   liu908  3098
         HN     53 SER  HA      5.50  #     2     3023.0  e   liu908  3090
         HN     53 SER  HB2     5.30  #     2     3679.0  e   liu908  3092
         HN     53 SER  HB3     5.80  #     2     2225.0  e   liu908  3101
         HN     85 VAL  QQG     8.40  #   w 5M    2174.5*2e   liu908  5890
         HN     86 VAL  HN      4.60  #     4     8679.0  e   liu908  5892
         HN     86 VAL  HB      3.80  #     5    15330.0  e   liu908  5895
         HN     86 VAL  QG1     6.40  #     5M   10050.0  e   liu908  5896
         HN     87 ILE  HN      4.40  #     4    10660.0  e   liu908  5910
         HN     87 ILE  HA      3.40  #     4    53570.0  e   liu908  5909
         HN     87 ILE  HB      4.20  #     5     8891.0  e   liu908  5911
         HN     87 ILE  QD1     6.20  #     5M   12100.0  e   liu908  5914
         HN     88 GLU- HN      4.50  #     4     9317.0  e   liu908  5920
         HN     88 GLU- HG3     6.00  #   w 5      527.0  e   liu908  5923
         HA     52 VAL  HB      3.50  #     2    45210.0  e   liu908  3057
         HA     52 VAL  QG1     3.90  #     1M   85610.0  e   liu908  3065
         HA     52 VAL  QG2     4.00  #     1M   77690.0  e   liu908  3062
         HA     53 SER  HN      4.30  #     2    12920.0  e   liu908  3099
         HA     53 SER  HA      6.00  #   w 2      802.0  e   liu908  3105
         HA     86 VAL  HB      6.00  #   w 5      360.0  e   liu908  5898
         HA     87 ILE  HA      5.10  #     4     4300.0  e   liu908  5916
         HA     88 GLU- HN      6.00  #   w 4      554.0  e   liu908  5922
         HB     52 VAL  QG1     3.80  #     1M  101000.0  e   liu908  3066
         HB     52 VAL  QG2     3.80  #     1M  102800.0  e   liu908  3058
         HB     53 SER  HN      3.30  #     2    65740.0  e   liu908  3094
         HB     53 SER  HA      6.00  #   w 2     1534.0  e   liu908  3106
         HB     53 SER  HB2     4.50 <#     5     5525.0  e   liu908  3113
         HB     53 SER  HB3     5.40 >#     5     1794.0  e   liu908  3110
         HB     86 VAL  HN      4.40  #     5     6644.0  e   liu908  7390
         HB     86 VAL  HA      4.50  #     5     5365.0  e   liu908  5903
         HB     86 VAL  HB      2.90  #     5    76860.0  e   liu908  5904
         HB     86 VAL  QG1     4.20  #     5M  133300.0  e   liu908  5906
         HB     87 ILE  HN      4.30  #     5     6921.0  e   liu908  5917
         HB     87 ILE  HA      6.00  #   w 5      267.0  e   liu908  5919
         HB     88 GLU- HN      6.00  #   w 5      888.0  e   liu908  7268
         QG1    53 SER  HN      5.40  #     5M   27360.0  e   liu908  3096
         QG1    53 SER  HB2     5.80  #     5M   17350.0  e   liu908  3115
         QG1    53 SER  HB3     5.00  #     5M   42760.0  e   liu908  3116
         QG1    86 VAL  HB      6.40  #     5M    9600.0  e   liu908  7392
         QG1    88 GLU- HN      7.00 >#   w 5M    3449.0  e   liu908  5925
         QG1    88 GLU- HG3     6.70  #     5M    7487.0  e   liu908  5929
         QG2    53 SER  HN      5.40  #     5M   29120.0  e   liu908  3095
         QG2    53 SER  HB2     7.00  #   w 5M    5163.0  e   liu908  3108
         QG2    53 SER  HB3     7.00  #   w 5M    3524.0  e   liu908  3111
         QG2    86 VAL  HB      7.00  #   w 5M        .0  e   liu908  7393
         QG2    88 GLU- HN      5.20 <#     5M   35000.0  e   liu908  5924
         QG2    88 GLU- HA      7.00  #   w 5M    5543.0  e   liu908  7270
         QG2    88 GLU- HB2     5.40  #     5M   27320.0  e   liu908  7271
         QG2    88 GLU- HG2     7.00  #   w 5M    5063.0  e   liu908  7273
         QG2    88 GLU- HG3     4.40  #     5M   97950.0  e   liu908  5928
 53 SER  
         HN     53 SER  HA      3.70  #     2    31840.0  e   liu908    72
         HN     53 SER  HB2     4.20  #     2    14240.0  e   liu908   841
         HN     53 SER  HB3     3.80  #     2    27040.0  e   liu908   842
         HN     54 GLY  HN      4.60  #     2     8932.0  e   liu908  3122
         HN     85 VAL  HA      5.20  #     4     3904.0  e   liu908  5932
         HN     85 VAL  QQG     8.40  #   w 5M    1480.0*2e   liu908  5934
         HN     86 VAL  HN      3.50  #     4    43720.0  e   liu908  5939
         HN     86 VAL  HA      5.60  #     4     2489.0  e   liu908  5940
         HN     86 VAL  HB      3.10  #     5    60000.0  e   liu908  5941
         HN     86 VAL  QG1     7.00  #     5M    5829.0  e   liu908  5943
         HN     86 VAL  QG2     7.00  #   w 5M    2578.0  e   liu908  7396
         HN     87 ILE  HA      4.90  #     4     5454.0  e   liu908  5955
         HN     87 ILE  HB      6.00  #   w 5      519.0  e   liu908  5956
         HN     87 ILE  QG1     6.80  # m   5     1224.0*2e   liu908  5959
         HA     53 SER  HB2     3.40  #     2    52200.0  e   liu908   844
         HA     53 SER  HB3     3.50  #     2    49800.0  e   liu908   845
         HA     54 GLY  HN      2.90  #     2   150700.0  e   liu908  3121
         HA     86 VAL  HN      5.70  #     4     2230.0  e   liu908  7394
         HA     86 VAL  HB      4.80  #     5     3646.0  e   liu908  5945
         HB2    54 GLY  HN      3.70  #     2    31940.0  e   liu908  3120
         HB2    85 VAL  HA      6.00  #   w 5      116.0  e   liu908  7441
         HB2    86 VAL  HN      5.60  #     5     1524.0  e   liu908  5949
         HB2    86 VAL  HB      4.00 >#     5    11430.0  e   liu908  5952
         HB3    54 GLY  HN      3.90  #     2    25570.0  e   liu908  3126
         HB3    86 VAL  HN      5.30  #     5     2087.0  e   liu908  5948
         HB3    86 VAL  HB      3.40 <#     5    28660.0  e   liu908  5953
         HB3    86 VAL  QG1     7.00  #   w 5M    3187.0  e   liu908  5951
         HB3    86 VAL  QG2     7.00  #   w 5M    3840.0  e   liu908  7397
 54 GLY  
         HN     54 GLY  HA1     3.30  #     2    71650.0  e   liu908    28
         HN     54 GLY  HA2     3.50  #     2    47140.0  e   liu908    29
         HN     55 SER  HN      5.40  #     2     3125.0  e   liu908  3129
         HN     85 VAL  HA      5.00  #     4     4819.0  e   liu908  5960
         HN     86 VAL  HN      5.50  #     4     2771.0  e   liu908  7398
         HA1    55 SER  HN      4.00  #     2    18960.0  e   liu908  3131
         HA1    85 VAL  HN      6.00  #   w 4      547.0  e   liu908  5965
         HA1    85 VAL  HA      3.80 <#     4    27570.0  e   liu908  5962
         HA1    85 VAL  HB      5.40  #     5     5577.0  e   liu908  5966
         HA1    85 VAL  QQG     7.90  #     5M    9055.0*2e   liu908  5964
         HA1    86 VAL  HN      5.10  #     4     4344.0  e   liu908  7401
         HA2    55 SER  HN      3.70  #     2    31470.0  e   liu908  3132
         HA2    85 VAL  HN      6.00  #   w 4      392.0  e   liu908  7443
         HA2    85 VAL  HA      4.40 >#     4    10480.0  e   liu908  7029
         HA2    85 VAL  HB      4.50  #     5     5608.0  e   liu908  7030
         HA2    85 VAL  QQG     7.20  #     5M   18820.0*2e   liu908  7444
         HA2    86 VAL  HN      4.90  #     4     5332.0  e   liu908  7400
 55 SER  
         HN     55 SER  HA      3.50  #     2    44740.0  e   liu908    71
         HN     55 SER  HB2     3.40  #     2    50690.0  e   liu908   852
         HN     55 SER  HB3     3.90  #     2    23760.0  e   liu908   856
         HN     56 ILE  HN      4.60  #     2     8857.0  e   liu908  3136
         HN     56 ILE  HA      6.00  #   w 2      313.0  e   liu908  7966
         HN     82 THR  HN      4.70  #     4     6848.0  e   liu908  3140
         HN     83 SER  HN      4.30  #     4    11930.0  e   liu908  5968
         HN     83 SER  HA      6.00  #   w 4     1498.0  e   liu908  5970
         HN     83 SER  HB2     3.90 <#     5    14020.0  e   liu908  7478
         HN     83 SER  HB3     5.90 >#     5     1050.0  e   liu908  7475
         HN     85 VAL  HA      4.80  #     4     6461.0  e   liu908  5972
         HN     85 VAL  HB      4.20  #     5    15490.0  e   liu908  5975
         HN     85 VAL  QQG     7.10  #     5M   20790.0*2e   liu908  5977
         HA     55 SER  HB2     3.10  #     2    89710.0  e   liu908   857
         HA     55 SER  HB3     3.10  #     2    87820.0  e   liu908   858
         HA     56 ILE  HN      2.90  #     2   141300.0  e   liu908  3137
         HA     56 ILE  HA      6.00  #   w 2     1647.0  e   liu908  3141
         HA     56 ILE  HG12    5.20  #     5     2288.0  e   liu908  7967
         HA     85 VAL  QQG     8.40  #   w 5M    2736.5*2e   liu908  5978
         HB2    56 ILE  HN      3.60  #     2    36880.0  e   liu908  3142
         HB2    56 ILE  HA      5.80  #     2     2177.0  e   liu908  3145
         HB2    56 ILE  HG12    6.00  #   w 5      518.0  e   liu908  7968
         HB3    56 ILE  HN      3.80  #     2    27620.0  e   liu908  3143
         HB3    56 ILE  HA      5.90  #     2     1856.0  e   liu908  3144
         HB3    56 ILE  HG12    6.00  #   w 5      696.0  e   liu908  7970
 56 ILE  
         HN     56 ILE  HA      3.00  #     2   127200.0  e   liu908    30
         HN     56 ILE  HB      3.80  #     2    29040.0  e   liu908  6909
         HN     56 ILE  QG2     4.20  #     1M   68110.0  e   liu908  6911
# nov8   HN     56 ILE  QG2     4.10  #     1M   68110.0  e   liu908  6911
         HN     56 ILE  HG12    2.60 <#     1    92720.0  e   liu908  6910
         HN     56 ILE  HG13    3.20 >#     1    24900.0  e   liu908  6917
         HN     56 ILE  QD1     6.90  #     1M    2796.0  e   liu908  6914
         HN     57 ASP- HN      4.70  #     2     8135.0  e   liu908  3147
         HN     57 ASP- HA      5.40  #     2     3199.0  e   liu908  7956
         HA     56 ILE  HB      3.00  #     2   119900.0  e   liu908  7032
         HA     56 ILE  QG2     3.60  #     1M  157900.0  e   liu908  7035
         HA     56 ILE  HG12    4.80 <#     1     2059.0  e   liu908  7033
         HA     56 ILE  HG13    5.90 >#     1      617.0  e   liu908  7058
         HA     56 ILE  QD1     5.70  #     1M    9067.0  e   liu908  7055
         HA     57 ASP- HN      2.90  #     2   151400.0  e   liu908  3146
         HA     57 ASP- HB2     5.70  #     2     2468.0  e   liu908  7960
         HA     57 ASP- HB3     5.80  #     2     2185.0  e   liu908  7961
         HA     80 TYR  HN      6.00  #     4     1649.0  e   liu908  7630
         HA     81 PRO  HA      5.00  #     4     5128.0  e   liu908  5983
         HA     81 PRO  HB2     6.00  #   w 5      694.0  e   liu908  7599
         HA     82 THR  HN      4.10  #     4    17690.0  e   liu908  3135
         HA     82 THR  HA      6.00  #   w 4      243.0  e   liu908  7526
         HA     82 THR  QG2     5.50  #     5M   25900.0  e   liu908  5982
         HA     83 SER  HN      4.30  #     4    12820.0  e   liu908  8609
         HB     56 ILE  QG2     3.30  #   s 1M  298200.0  e   liu908  7036
         HB     56 ILE  HG12    3.00  #     1    34970.0  e   liu908  7044
         HB     56 ILE  HG13    2.70  #     1    63190.0  e   liu908  7045
         HB     56 ILE  QD1     4.30  #     1M   48100.0  e   liu908  7054
         HB     57 ASP- HN      2.90  #     2   146600.0  e   liu908  7063
         HB     57 ASP- HA      5.40  #     2     3333.0  e   liu908  7957
         HB     58 GLN  HA      6.00  #   w 3     1003.0  e   liu908  8641
         HB     74 VAL  QG2     6.00  #     5M   14000.0  e   liu908  7709
         HB     79 ALA  HA      5.10  #     5     2620.0  e   liu908  7673
         HB     79 ALA  QB      5.10  #     5M   37220.0  e   liu908  7675
         HB     80 TYR  HN      4.10  #     5    10560.0  e   liu908  7632
         HB     80 TYR  HA      6.00  #   w 5      553.0  e   liu908  7634
         HB     81 PRO  HA      6.00  #   w 5      715.0  e   liu908  7596
         HB     82 THR  QG2     7.00  #   w 5M    5018.0  e   liu908  7527
         QG2    56 ILE  HG12    4.00  #     1M   82290.0  e   liu908  7037
         QG2    56 ILE  HG13    3.90  #     1M   93130.0  e   liu908  7051
         QG2    56 ILE  QD1     4.60  # m   1M  159400.0  e   liu908  7052
         QG2    57 ASP- HN      5.30  #     5M   32850.0  e   liu908  7066
         QG2    57 ASP- HA      7.00  #   w 5M    4635.0  e   liu908  7068
# nov9   QG2    58 GLN  HA      7.00  #   w 5M    5498.0  e   liu908  8545
         QG2    74 VAL  QG2     6.30  # m   5M   30680.0  e   liu908  7703
         QG2    79 ALA  QB      6.20  # m   5M   34240.0  e   liu908  7678
         QG2    80 TYR  HA      7.00  #   w 5M    1965.0  e   liu908  7635
         QG2    81 PRO  HA      5.10  #     5M   38330.0  e   liu908  7597
         QG2    81 PRO  HB2     4.80 <#     5M   58280.0  e   liu908  7603
         QG2    81 PRO  HB3     6.70 >#     5M    7429.0  e   liu908  7602
         QG2    83 SER  HN      6.90  #     5M    6127.0  e   liu908  8833
         QG2    85 VAL  HB      6.80  #     5M    6931.0  e   liu908  7411
         QG2    85 VAL  QQG     8.40  # q   5M   14975.0*2e   liu908  7414
         HG12   56 ILE  QD1     4.60 >#     1M   33720.0  e   liu908  7039
         HG12   57 ASP- HN      5.00  #     5     3126.0  e   liu908  7064
         HG12   79 ALA  QB      5.70  #     5M   19890.0  e   liu908  7680
         HG12   85 VAL  QQG     8.40  #   w 5M    1991.0*2e   liu908  7415
         HG13   56 ILE  QD1     3.70 <#     1M  118400.0  e   liu908  7041
         HG13   57 ASP- HN      4.50  #     5     5347.0  e   liu908  7065
         HG13   79 ALA  QB      5.40  #     5M   26480.0  e   liu908  7681
         HG13   85 VAL  QQG     8.40  #   w 5M        .0*2e   liu908  7416
         QD1    57 ASP- HN      7.00  #   w 5M    1647.0  e   liu908  7067
         QD1    79 ALA  QB      7.90  # m   5M    6138.0  e   liu908  7683
         QD1    81 PRO  HA      6.50  #     5M    8753.0  e   liu908  7598
 57 ASP- 
         HN     57 ASP- HA      3.70  #     2    30580.0  e   liu908    69
         HN     57 ASP- HB2     3.70  #     2    32960.0  e   liu908   880
         HN     57 ASP- HB3     3.30  #     2    71700.0  e   liu908   876
         HN     58 GLN  HN      4.10  #     2    17950.0  e   liu908  3230
         HN     58 GLN  HA      5.80  #     2     2031.0  e   liu908  3234
         HN     79 ALA  HA      4.60  #     4     8427.0  e   liu908  5986
         HN     79 ALA  QB      6.60  #     5M    8641.0  e   liu908  5985
         HN     80 TYR  HN      3.50  #     4    39870.0  e   liu908  6000
         HN     80 TYR  HA      5.50  #     4     2684.0  e   liu908  6001
         HN     80 TYR  HB2     3.40 <#     5    29180.0  e   liu908  7638
         HN     80 TYR  HB3     4.30 >#     5     7089.0  e   liu908  6003
         HN     80 TYR  QD      7.20  # r   5     2237.5*2e   liu908  6014
         HN     80 TYR  QE      8.00  # r w 5      224.5*2e   liu908  9056
         HN     81 PRO  HA      4.90  #     4     5858.0  e   liu908  6017
         HN     81 PRO  HD3     6.00  #   w 5      138.0  e   liu908  9057
         HN     82 THR  HN      4.80  #     4     6539.0  e   liu908  5989
         HN     82 THR  HA      6.00  #   w 4      421.0  e   liu908  5990
         HN     82 THR  QG2     5.00  #     5M   44010.0  e   liu908  5993
         HA     57 ASP- HB2     3.00  #     2   127400.0  e   liu908   882
         HA     57 ASP- HB3     3.40  #     2    58230.0  e   liu908   881
         HA     58 GLN  HN      2.70  #     2   211500.0  e   liu908  3231
         HA     58 GLN  HA      5.10  #     2     4842.0  e   liu908  3237
         HA     58 GLN  HG3     4.40  #     5     6599.0  e   liu908  7950
         HA     59 SER  HN      3.90  #     3    28610.0  e   liu908  7945
         HA     80 TYR  HN      5.20  #     4     4055.0  e   liu908  6013
         HA     80 TYR  QD      7.60  # r   5     1462.5*2e   liu908  6012
         HA     82 THR  QG2     5.90  #     5M   16130.0  e   liu908  5994
         HB2    58 GLN  HN      4.70  #     2     7869.0  e   liu908  3233
         HB2    59 SER  HN      6.00  #   w 3     1286.0  e   liu908  7947
         HB2    80 TYR  QD      6.10 ># r   5     9440.0*2e   liu908  9055
         HB2    82 THR  HN      6.00  #   w 5      837.0  e   liu908  9052
         HB2    82 THR  QG2     4.20 <#     5M  132600.0  e   liu908  5996
         HB3    58 GLN  HN      4.70  #     2     7568.0  e   liu908  3239
         HB3    59 SER  HN      5.80  #     3     2500.0  e   liu908  7948
         HB3    79 ALA  HA      5.80  #     5     1200.0  e   liu908  7668
         HB3    80 TYR  HN      3.70  #     5    18460.0  e   liu908  6004
         HB3    80 TYR  HA      5.70  #     5     1302.0  e   liu908  6007
         HB3    80 TYR  HB2     2.50  #     5   196900.0  e   liu908  7639
         HB3    80 TYR  HB3     3.90  #     5    13480.0  e   liu908  6008
         HB3    80 TYR  QD      5.00 <# r   5    65500.0*2e   liu908  6005
         HB3    80 TYR  QE      7.30  # r   5     1977.0*2e   liu908  6009
         HB3    82 THR  HN      6.00  #   w 5      933.0  e   liu908  5991
         HB3    82 THR  HB      6.00  #   w 5      157.0  e   liu908  9054
         HB3    82 THR  QG2     5.10 >#     5M   37140.0  e   liu908  5997
 58 GLN  
         HN     58 GLN  HA      3.60  #     2    40260.0  e   liu908    50
         HN     58 GLN  HB2     4.50  #     2     9749.0  e   liu908  3151
         HN     58 GLN  HB3     4.40  #     2    12090.0  e   liu908  3152
         HN     58 GLN  HG2     3.00  #     1    39200.0  e   liu908  3163
         HN     58 GLN  HG3     2.60  #     1    80010.0  e   liu908  3164
         HN     58 GLN  HE21    4.00 <#     1     6141.0  e   liu908  3198
         HN     58 GLN  HE22    5.40 >#     1     1026.0  e   liu908  3197
         HN     59 SER  HN      3.10  #     2    99700.0  e   liu908  3243
         HN     59 SER  HA      4.60  #     2     8759.0  e   liu908  3242
         HN     59 SER  QB      6.80  # m   2     2102.0*2e   liu908  3257
         HN     60 ASP- HN      5.20  #     3     5128.0  e   liu908  6018
         HN     79 ALA  HA      5.50  #     4     2662.0  e   liu908  6033
         HN     80 TYR  HN      6.00  #   w 4      952.0  e   liu908  6041
         HA     58 GLN  HB2     3.20  #     2    73950.0  e   liu908  3157
         HA     58 GLN  HB3     3.20  #     2    84320.0  e   liu908  3159
         HA     58 GLN  HG2     3.80  #     1     9081.0  e   liu908  3167
         HA     58 GLN  HG3     3.60  #     1    11580.0  e   liu908  3166
         HA     58 GLN  HE21    5.90  #     1      624.0  e   liu908  3200
         HA     59 SER  HN      3.50  #     2    49000.0  e   liu908  3244
         HA     59 SER  HA      6.00  #   w 2      642.0  e   liu908  7938
         HA     59 SER  QB      7.00  # m w 2      730.5*2e   liu908  7943
         HA     60 ASP- HN      4.40  #     3    14850.0  e   liu908  6021
         HA     61 GLN  HN      5.30  #     3     4475.0  e   liu908  7070
         HA     61 GLN  QB      7.00  # m w 3     1315.5*2e   liu908  8645
         HA     74 VAL  QG2     7.00  #   w 5M    1455.0  e   liu908  8543
         HA     79 ALA  HA      3.40  #     4    53290.0  e   liu908  6029
         HA     79 ALA  QB      6.50  #     5M    9485.0  e   liu908  6031
         HA     80 TYR  HN      4.10  #     4    17640.0  e   liu908  6043
         HA     80 TYR  HB2     5.90  #     5     1094.0  e   liu908  6048
         HA     80 TYR  QD      8.00  # r w 5      710.5*2e   liu908  6046
         HA     80 TYR  QE      8.00  # r w 5      666.5*2e   liu908  6045
         HB2    58 GLN  HG2     3.10  #     1    28010.0  e   liu908  3168
         HB2    58 GLN  HG3     2.60  #     1    80530.0  e   liu908  3172
         HB2    58 GLN  HE21    4.30  #     1     4178.0  e   liu908  3202
         HB2    58 GLN  HE22    4.70  #     1     2519.0  e   liu908  3215
         HB2    59 SER  HN      5.50  #     2     2852.0  e   liu908  3247
         HB2    61 GLN  HN      4.50  #     3    13020.0  e   liu908  8431
         HB2    61 GLN  HE21    5.40  #     5     1863.0  e   liu908  9007
         HB2    61 GLN  HE22    6.00  #   w 5      867.0  e   liu908  9008
         HB2    74 VAL  QG2     7.00  #   w 5M    1567.0  e   liu908  6060
         HB2    75 LEU  HN      6.00 >#   w 5      632.0  e   liu908  8883
         HB2    79 ALA  HN      6.00  #   w 5      171.0  e   liu908  7663
         HB2    79 ALA  HA      4.20  #     5     8765.0  e   liu908  6036
         HB2    79 ALA  QB      6.30  #     5M   11050.0  e   liu908  6039
         HB2    80 TYR  HN      5.70 >#     5     1374.0  e   liu908  6051
         HB3    58 GLN  HG2     3.00  #     1    34730.0  e   liu908  3177
         HB3    58 GLN  HG3     3.40  #     1    15810.0  e   liu908  3176
         HB3    58 GLN  HE21    5.40  #     1     1006.0  e   liu908  3204
         HB3    58 GLN  HE22    5.00  #     1     1735.0  e   liu908  3210
         HB3    59 SER  HN      6.00  #   w 2     1537.0  e   liu908  3249
         HB3    74 VAL  HA      6.00  #   w 5      929.0  e   liu908  7715
         HB3    74 VAL  QG2     7.00  #   w 5M    3527.0  e   liu908  7722
         HB3    75 LEU  HN      5.00 <#     5     3055.0  e   liu908  8884
         HB3    79 ALA  HA      3.70  #     5    19990.0  e   liu908  6037
         HB3    79 ALA  QB      5.80  #     5M   18160.0  e   liu908  7665
         HB3    80 TYR  HN      4.60 <#     5     5140.0  e   liu908  6050
         HG2    58 GLN  HE21    2.90  #     1    41510.0  e   liu908  3212
         HG2    58 GLN  HE22    4.00  #     1     6078.0  e   liu908  3213
         HG2    59 SER  HN      5.20  #     5     2349.0  e   liu908  3246
         HG2    59 SER  HA      6.00 >#   w 5      260.0  e   liu908  7940
         HG2    61 GLN  HE21    5.90  #     5     1086.0  e   liu908  9006
         HG2    61 GLN  HE22    5.30  #     5     3105.0  e   liu908  9009
         HG2    74 VAL  HA      4.80 <#     5     3649.0  e   liu908  7717
         HG3    58 GLN  HE21    2.70  #     1    71770.0  e   liu908  3216
         HG3    58 GLN  HE22    3.70  #     1     9703.0  e   liu908  3209
         HG3    59 SER  HN      5.10  #     5     2761.0  e   liu908  3248
         HG3    59 SER  HA      5.00 <#     5     2891.0  e   liu908  7942
         HG3    61 GLN  HN      6.00  #   w 5      580.0  e   liu908  9051
         HG3    61 GLN  HE21    5.90  #     5     1130.0  e   liu908  8985
         HG3    74 VAL  HA      6.00 >#   w 5      821.0  e   liu908  7716
         HG3    74 VAL  QG2     7.00  #   w 5M     326.0  e   liu908  7724
         HG3    79 ALA  HA      6.00  #   w 5      644.0  e   liu908  7664
         HG3    79 ALA  QB      7.00  #   w 5M    1464.0  e   liu908  7667
         HE21   69 MET  HA      4.40 >#     5     6048.0  e   liu908  6068
         HE21   69 MET  HB2     5.20  #     5     2341.0  e   liu908  6072
         HE21   69 MET  HB3     4.30  #     5     7665.0  e   liu908  6070
         HE21   69 MET  HG2     3.40  #     5    28930.0  e   liu908  6082
         HE21   69 MET  HG3     4.40  #     5     6125.0  e   liu908  6073
         HE21   69 MET  QE      7.00 >#   w 5M    2148.0  e   liu908  8624
         HE21   74 VAL  HA      3.80 >#     5    14850.0  e   liu908  6061
         HE21   74 VAL  QG1     6.60  #     5M    8284.0  e   liu908  6058
         HE21   74 VAL  QG2     7.00  #   w 5M    3478.0  e   liu908  6059
         HE21   75 LEU  HN      6.00 >#   w 5      652.0  e   liu908  8879
         HE22   64 LEU  HB2     3.90  #     5    12780.0  e   liu908  6089
         HE22   64 LEU  HB3     4.20  #     5     8539.0  e   liu908  6092
         HE22   64 LEU  QD2     5.50  #     5M   24440.0  e   liu908  9000
         HE22   69 MET  HN      5.30  #     5     2008.0  e   liu908  6085
         HE22   69 MET  HA      3.80 <#     5    15850.0  e   liu908  6069
         HE22   69 MET  HB2     6.00  #     5      954.0  e   liu908  6078
         HE22   69 MET  HB3     4.60  #     5     5227.0  e   liu908  6071
         HE22   69 MET  HG2     3.70  #     5    18540.0  e   liu908  6076
         HE22   69 MET  HG3     4.00  #     5    11070.0  e   liu908  6074
         HE22   69 MET  QE      4.70 <#     5M   64220.0  e   liu908  8627
         HE22   74 VAL  HN      5.30  #     5     1990.0  e   liu908  7713
         HE22   74 VAL  HA      2.80 <#     5   102200.0  e   liu908  6062
         HE22   74 VAL  HB      4.50  #     5     5711.0  e   liu908  7720
         HE22   74 VAL  QG1     6.40  #     5M    9958.0  e   liu908  6055
         HE22   74 VAL  QG2     6.50  #     5M    9165.0  e   liu908  6057
         HE22   75 LEU  HN      4.80 <#     5     3788.0  e   liu908  8877
 59 SER  
         HN     59 SER  HA      3.20  #     2    73890.0  e   liu908    53
         HN     59 SER  QB      4.10  # i   2    44305.0*2e   liu908  3221
         HN     60 ASP- HN      3.80  #     2    29930.0  e   liu908  3261
         HN     60 ASP- QB      7.00  # m w 2      492.0*2e   liu908  7933
         HN     61 GLN  HN      5.30  #     3     6072.0  e   liu908  8434
         HN     80 TYR  HN      5.70  #     4     2229.0  e   liu908  6095
         HN     80 TYR  QD      8.00  # r   5      942.5*2e   liu908  6098
         HN     80 TYR  QE      8.00  # r w 5      225.0*2e   liu908  6099
         HA     59 SER  QB      4.50  # m   2    45645.0*2e   liu908  3224
         HA     60 ASP- HN      3.80  #     2    27310.0  e   liu908  3259
         HA     60 ASP- HA      6.00  #   w 2      190.0  e   liu908  7932
         HA     61 GLN  HN      4.50  #     3    13010.0  e   liu908  8436
         QB     60 ASP- HN      5.40  # m   2    10825.0*2e   liu908  3260
         QB     60 ASP- HA      7.00  # m w 2      307.0*2e   liu908  3264
 60 ASP- 
         HN     60 ASP- HA      3.60  #     2    39600.0  e   liu908    31
         HN     60 ASP- QB      5.20  # i   2     8970.0*2e   liu908  3228
         HN     61 GLN  HN      3.30  #     2    66440.0  e   liu908  8438
         HA     60 ASP- QB      4.70  # i   2    16375.0*2e   liu908  3227
         HA     61 GLN  HN      5.00  #     2     4984.0  e   liu908  8440
         QB     61 GLN  HN      6.20  # m   2     4367.0*2e   liu908  8441
         QB     78 HIS  HB2     6.40 <# m   5     1790.5*2e   liu908  9047
         QB     78 HIS  HB3     7.00 ># m w 5       79.5*2e   liu908  9049
         QB     80 TYR  QE      9.00  # mrw 5      489.5*4e   liu908  9045
 61 GLN  
         HN     61 GLN  HA      5.40  #     2     3403.0  e   liu908    22
         HN     61 GLN  QB      4.30  # i   2    31640.0*2e   liu908  8646
         HN     61 GLN  QG      5.20  # m   1     4935.5*2e   liu908  8430
         HN     61 GLN  HE21    4.90  #     1     2567.0  e   liu908  8918
         HA     61 GLN  QB      7.00  # m w 2      464.5*2e   liu908  8648
         QB     61 GLN  QG      6.60  # mm  1     2660.0*4e   liu908  9032
         QB     61 GLN  HE21    4.50 <# m   1    13580.0*2e   liu908  8925
         QB     61 GLN  HE22    7.00 ># m w 1      310.5*2e   liu908  8923
         QB     64 LEU  HN      7.00  # m w 3      244.0*2e   liu908  9059
         QG     61 GLN  HE21    5.00  # m   1     6670.0*2e   liu908  9030
         QG     69 MET  QE      8.00  # m w 5M    1987.5*2e   liu908  9034
         HE21   64 LEU  HN      3.20  #     5    41920.0  e   liu908  8917
         HE21   64 LEU  HB2     4.20  #     5     8665.0  e   liu908  8986
         HE21   64 LEU  HB3     5.70  #     5     1331.0  e   liu908  8987
         HE21   64 LEU  QD2     5.90  #     5M   16740.0  e   liu908  8988
         HE21   65 ASP- HN      6.00  #   w 5      340.0  e   liu908  8989
         HE21   65 ASP- HA      6.00  #   w 5      116.0  e   liu908  8990
         HE21   69 MET  HG2     4.70  #     5     4104.0  e   liu908  8982
         HE21   69 MET  HG3     5.70  #     5     1303.0  e   liu908  8981
         HE21   69 MET  QE      4.90  #     5M   48720.0  e   liu908  8984
 63 PHE  
         HN     64 LEU  HN      4.20  #     2    14990.0  e   liu908  6981
         HA     63 PHE  QB      6.20  # m   2     4074.0*2e   liu908  7128
         HA     63 PHE  QD      7.00  # m w 1      112.0*2e   liu908  7125
         HA     63 PHE  QE      6.60  # i w 1      204.0*2e   liu908  7135
         QB     63 PHE  QD      8.30  # mr  1     1204.8*4e   liu908  7126
         QB     63 PHE  QE      9.00  # mrw 1      425.5*4e   liu908  7136
         QB     96 VAL  QG1     8.00  # m w 5M    1689.5*2e   liu908  7148
         QD     63 PHE  QE      7.00  # rr  1    35625.0*4e   liu908  7119
         QD     63 PHE  HZ      6.20  # r   1     5075.0*2e   liu908  7117
         QD     64 LEU  HN      5.60  # r   5    22125.0*2e   liu908  6982
         QD     64 LEU  HB2     8.00  # r w 5      288.5*2e   liu908  7924
         QD     64 LEU  QD2     9.00  # r w 5M     491.0*2e   liu908  7921
         QD     68 GLN  HE21    7.90 <# r   5     1144.0*2e   liu908  7893
         QD     68 GLN  HE22    8.00 ># r w 5      221.5*2e   liu908  7891
         QD     95 ILE  QG2     9.00  # r w 5M     943.0*2e   liu908  7158
         QD     95 ILE  HG13    8.00  # r w 5      134.5*2e   liu908  7154
         QD     95 ILE  QD1     9.00  # r w 5M    1378.0*2e   liu908  7157
         QD     96 VAL  HA      7.90  # r   5     1134.5*2e   liu908  7133
         QD     96 VAL  QG1     9.00 <# r w 5M    3435.0*2e   liu908  7142
         QD     96 VAL  QG2     9.00 ># r w 5M     455.5*2e   liu908  7144
         QE     63 PHE  HZ      5.30  # r   1    20890.0*2e   liu908  7118
         QE     64 LEU  HA      7.50  # r   5     1632.5*2e   liu908  7914
         QE     64 LEU  HB2     6.70 <# r   5     4234.0*2e   liu908  7916
         QE     64 LEU  HB3     8.00 ># r w 5      909.0*2e   liu908  7917
         QE     64 LEU  QD2     9.00  # r w 5M    3821.5*2e   liu908  7918
         QE     68 GLN  HE21    7.40 <# r   5     1815.0*2e   liu908  7892
         QE     68 GLN  HE22    8.00 ># r w 5      689.0*2e   liu908  7890
         QE     95 ILE  QG2     9.00  # r w 5M    4370.5*2e   liu908  7164
         QE     95 ILE  HG13    8.00  # r w 5      444.0*2e   liu908  7160
         QE     95 ILE  QD1     8.70  # r   5M    7485.0*2e   liu908  7155
         QE     96 VAL  HA      8.00  # r w 5      320.0*2e   liu908  7134
         QE     96 VAL  QG1     9.00 <# r w 5M    2029.5*2e   liu908  7137
         QE     96 VAL  QG2     9.00 ># r w 5M     256.0*2e   liu908  7143
         HZ     64 LEU  HN      6.00  #   w 5      643.0  e   liu908  7130
         HZ     95 ILE  QG2     7.00  #   w 5M     552.0  e   liu908  7165
         HZ     95 ILE  QD1     7.00  #   w 5M    1231.0  e   liu908  7166
 64 LEU  
         HN     64 LEU  HA      4.70  #     2     7825.0  e   liu908     3
         HN     64 LEU  HB2     3.30 <#     2    62330.0  e   liu908  3273
         HN     64 LEU  HB3     4.10 >#     2    18140.0  e   liu908  3275
         HN     64 LEU  QD2     5.20  #     1M   16290.0  e   liu908  6984
         HN     65 ASP- HN      5.10  #     2     4837.0  e   liu908  3401
         HN     69 MET  HG2     6.00  #   w 5      430.0  e   liu908  6103
         HN     69 MET  HG3     6.00  #   w 5      604.0  e   liu908  6102
         HN     69 MET  QE      7.00  #   w 5M    1706.0  e   liu908  8632
         HA     64 LEU  HB2     3.40  #     2    59620.0  e   liu908  3267
         HA     64 LEU  HB3     3.30  #     2    67050.0  e   liu908  3268
         HA     64 LEU  QD2     4.30  #     1M  131200.0  e   liu908  6987
         HA     65 ASP- HN      2.70  #     2   208800.0  e   liu908  3277
         HA     65 ASP- HB2     5.80  #     2     2038.0  e   liu908  7913
         HA     68 GLN  HE21    5.70 >#     5     1329.0  e   liu908  6667
         HA     68 GLN  HE22    4.50 <#     5     5356.0  e   liu908  6668
         HB2    64 LEU  QD2     4.10  #     1M   65730.0  e   liu908  7753
         HB2    65 ASP- HN      4.40  #     2    11970.0  e   liu908  3402
         HB2    69 MET  HN      4.80  #     5     3738.0  e   liu908  6112
         HB2    69 MET  HG3     3.40  #     5    30930.0  e   liu908  6105
         HB2    69 MET  QE      4.70 <#     5M   62210.0  e   liu908  9068
         HB3    64 LEU  QD2     3.80  #     1M  104200.0  e   liu908  7754
         HB3    65 ASP- HN      3.80  #     2    28430.0  e   liu908  3403
         HB3    68 GLN  HN      4.80  #     3     8456.0  e   liu908  7853
         HB3    69 MET  HN      4.90  #     5     3449.0  e   liu908  6110
         HB3    69 MET  HG3     3.40  #     5    29750.0  e   liu908  6106
         HB3    69 MET  QE      6.90 >#     5M    6597.0  e   liu908  9066
         HB3    73 TYR  HB3     6.00  #   w 5      907.0  e   liu908  7765
         HB3    95 ILE  QD1     6.40  #     5M    9661.0  e   liu908  6116
         QD2    65 ASP- HN      5.00  #     5M   45980.0  e   liu908  7910
         QD2    68 GLN  HN      7.00  #   w 5M    5000.0  e   liu908  7854
         QD2    68 GLN  HB2     6.00  #     5M   14930.0  e   liu908  7857
         QD2    68 GLN  HB3     4.70  #     5M   61740.0  e   liu908  9075
         QD2    68 GLN  HE21    7.00  #   w 5M    3225.0  e   liu908  7860
         QD2    68 GLN  HE22    6.80  #     5M    6858.0  e   liu908  7861
         QD2    69 MET  HN      6.90  #     5M    6536.0  e   liu908  9080
         QD2    69 MET  HG2     6.00  #     5M   14670.0  e   liu908  9062
         QD2    69 MET  HG3     5.80  #     5M   18420.0  e   liu908  9063
         QD2    69 MET  QE      5.90  # m   5M   50890.0  e   liu908  9060
         QD2    73 TYR  HN      6.90  #     5M    6605.0  e   liu908  9069
         QD2    73 TYR  HB2     6.70  #     5M    7356.0  e   liu908  7746
         QD2    73 TYR  HB3     5.80  #     5M   18470.0  e   liu908  7743
         QD2    73 TYR  QD      7.80  # r   5M   18310.0*2e   liu908  9003
         QD2    73 TYR  QE      9.00  # r w 5M     422.0*2e   liu908  9071
         QD2    74 VAL  HA      6.60  #     5M    8009.0  e   liu908  9076
         QD2    74 VAL  QG2     5.50  # m   5M   79780.0  e   liu908  9077
         QD2    75 LEU  HN      7.00  #   w 5M    3626.0  e   liu908  9073
         QD2    95 ILE  QG2     6.50  # m   5M   25980.0  e   liu908  7169
         QD2    95 ILE  QD1     5.20  # m   5M  126700.0  e   liu908  7172
 65 ASP- 
         HN     65 ASP- HA      3.50  #     2    44120.0  e   liu908    49
         HN     65 ASP- HB2     3.40 <#     2    50050.0  e   liu908  3413
         HN     65 ASP- HB3     4.20 >#     2    15880.0  e   liu908  3412
         HN     66 ASP- HN      4.80  #     2     6948.0  e   liu908  3408
         HN     68 GLN  HN      4.00  #     3    23330.0  e   liu908  7867
         HN     68 GLN  HB2     4.00 <#     3    26220.0  e   liu908  7874
         HN     68 GLN  HB3     5.10 >#     3     5423.0  e   liu908  7877
         HN     68 GLN  HG2     4.80  #     5     3822.0  e   liu908  7879
         HN     68 GLN  HG3     4.50  #     5     5842.0  e   liu908  7881
         HN     68 GLN  HE21    5.10  #     5     2514.0  e   liu908  6664
         HN     68 GLN  HE22    4.80  #     5     3691.0  e   liu908  6661
         HN     69 MET  HN      4.80  #     3     8782.0  e   liu908  6208
         HA     65 ASP- HB2     3.00  #     2   118100.0  e   liu908  3415
         HA     65 ASP- HB3     2.90  #     2   150500.0  e   liu908  3414
         HA     66 ASP- HN      2.90  #     2   135400.0  e   liu908  3409
         HA     66 ASP- HA      5.80  #     2     2037.0  e   liu908  3411
         HA     67 GLU- HN      6.00  #   w 3      262.0  e   liu908  6203
         HA     68 GLN  HN      5.40  #     3     4208.0  e   liu908  7869
         HA     68 GLN  HB2     6.00  #   w 3     1448.0  e   liu908  7875
         HA     69 MET  HB2     6.00  #   w 3     1079.0  e   liu908  6210
         HB2    66 ASP- HN      3.60 >#     2    40430.0  e   liu908  3422
         HB2    67 GLU- HN      5.60 >#     3     3105.0  e   liu908  6207
         HB2    68 GLN  HN      5.90  #     3     2313.0  e   liu908  7873
         HB2    68 GLN  HE22    6.00  #   w 5      231.0  e   liu908  7884
         HB3    66 ASP- HN      2.80 <#     2   164400.0  e   liu908  4021
         HB3    66 ASP- HA      6.00  #   w 2     1627.0  e   liu908  7906
         HB3    66 ASP- HB2     4.70  #     5     4196.0  e   liu908  7909
         HB3    67 GLU- HN      4.30 <#     3    15190.0  e   liu908  6204
         HB3    68 GLN  HN      5.70  #     3     2843.0  e   liu908  7870
 66 ASP- 
         HN     66 ASP- HA      3.30  #     2    68460.0  e   liu908    21
         HN     66 ASP- HB2     3.10 <#     2   103400.0  e   liu908  2518
         HN     66 ASP- HB3     3.60 >#     2    36740.0  e   liu908  2523
         HN     67 GLU- HN      3.40  #     2    50610.0  e   liu908  3426
         HN     67 GLU- HB2     6.00  #   w 2      819.0  e   liu908  7900
         HN     67 GLU- HB3     6.00  #   w 2     1044.0  e   liu908  7901
         HN     67 GLU- HG2     6.00 >#   w 5      166.0  e   liu908  7886
         HN     67 GLU- HG3     6.00 <#   w 5      422.0  e   liu908  7904
         HN     68 GLN  HN      4.90  #     3     7444.0  e   liu908  6221
         HN     68 GLN  HG3     6.00  #   w 5      515.0  e   liu908  7885
         HN     69 MET  HN      6.00  #   w 3     1271.0  e   liu908  7848
         HA     66 ASP- HB2     3.60  #     2    40350.0  e   liu908  2526
         HA     66 ASP- HB3     3.20  #     2    80160.0  e   liu908  2525
         HA     67 GLU- HN      4.50  #     2    10000.0  e   liu908  4137
         HA     68 GLN  HN      5.10  #     3     5404.0  e   liu908  7823
         HA     69 MET  HN      4.40  #     3    13950.0  e   liu908  6215
         HA     69 MET  HB2     3.70 <#     3    39190.0  e   liu908  6217
         HA     69 MET  HB3     4.50 >#     3    12770.0  e   liu908  6218
         HA     70 ASP- HN      4.70  #     3     9869.0  e   liu908  6224
         HB2    67 GLU- HN      3.70 <#     2    33910.0  e   liu908  3427
         HB2    67 GLU- HA      6.00 <#     2     1755.0  e   liu908  7898
         HB3    67 GLU- HN      4.50 >#     2     9797.0  e   liu908  3430
         HB3    67 GLU- HA      6.00 >#   w 2      663.0  e   liu908  7899
 67 GLU- 
         HN     67 GLU- HA      3.40  #     2    55110.0  e   liu908    56
         HN     67 GLU- HB2     3.00 <#     2   127500.0  e   liu908   954
         HN     67 GLU- HB3     3.50 >#     2    42760.0  e   liu908   962
         HN     67 GLU- HG2     3.50 >#     1    13550.0  e   liu908   952
         HN     67 GLU- HG3     2.80 <#     1    53170.0  e   liu908   951
         HN     68 GLN  HN      3.20  #     2    86510.0  e   liu908  6226
         HN     69 MET  HN      4.40  #     3    14150.0  e   liu908  4022
         HN     70 ASP- HN      5.60  #     3     3363.0  e   liu908  7827
         HA     67 GLU- HB2     3.70  #     2    32840.0  e   liu908   959
         HA     67 GLU- HB3     3.30  #     2    68320.0  e   liu908   957
         HA     67 GLU- HG2     3.10 <#     1    28000.0  e   liu908   958
         HA     67 GLU- HG3     3.70 >#     1    10720.0  e   liu908   964
         HA     68 GLN  HN      4.20  #     2    15340.0  e   liu908  6227
         HA     68 GLN  HA      6.00  #   w 2      558.0  e   liu908  7830
         HA     69 MET  HN      5.10  #     3     5780.0  e   liu908  4024
         HA     70 ASP- HN      4.10  #     3    22160.0  e   liu908  7828
         HA     70 ASP- HA      6.00  #   w 3      775.0  e   liu908  6240
         HA     70 ASP- HB2     4.00  #     3    24770.0  e   liu908  6233
         HA     70 ASP- HB3     3.60  #     3    46990.0  e   liu908  6232
         HA     71 ALA  QB      7.00  #     3M     646.0  e   liu908  6242
         HB2    67 GLU- HG2     3.10  #     1    29090.0  e   liu908  7074
         HB2    67 GLU- HG3     2.60  #     1    80310.0  e   liu908  7084
         HB2    68 GLN  HN      3.70  #     2    31580.0  e   liu908  7343
         HB2    68 GLN  HA      4.60  #     2     9058.0  e   liu908  7833
         HB2    68 GLN  HG3     3.80  #     5    15710.0  e   liu908  7837
         HB3    67 GLU- HG2     2.80  #     1    58020.0  e   liu908  7077
         HB3    67 GLU- HG3     3.00  #     1    37160.0  e   liu908  7083
         HB3    68 GLN  HN      3.80  #     2    29470.0  e   liu908  6238
         HB3    68 GLN  HA      5.10  #     2     4524.0  e   liu908  7840
         HB3    68 GLN  HG3     5.00  #     5     3142.0  e   liu908  7841
         HG2    68 GLN  HN      4.20 >#     5     8681.0  e   liu908  7836
         HG3    68 GLN  HN      3.30 <#     5    35660.0  e   liu908  6235
 68 GLN  
         HN     68 GLN  HA      3.80  #     2    29120.0  e   liu908  6706
         HN     68 GLN  HB2     2.90 <#     2   139000.0  e   liu908  6709
         HN     68 GLN  HB3     3.50 >#     2    44210.0  e   liu908  6711
         HN     68 GLN  HG2     3.40 >#     1    16100.0  e   liu908  6714
         HN     68 GLN  HG3     2.40 <#     1   148800.0  e   liu908  6708
         HN     68 GLN  HE21    4.80  #     1     2176.0  e   liu908  6932
         HN     68 GLN  HE22    5.40  #     1     1074.0  e   liu908  6931
         HN     69 MET  HN      3.30  #     2    71410.0  e   liu908  7817
         HN     69 MET  QE      7.00  #   w 5M    2374.0  e   liu908  8629
         HN     71 ALA  QB      4.90  #     3M    5521.0  e   liu908  8424
         HN     95 ILE  QG2     7.00  #   w 5M    1366.0  e   liu908  8515
         HA     68 GLN  HB2     3.20  #     2    75550.0  e   liu908  6957
         HA     68 GLN  HB3     3.10  #     2    90120.0  e   liu908  7090
         HA     68 GLN  HG2     2.80  #     1    62360.0  e   liu908  7089
         HA     68 GLN  HG3     2.80  #     1    60690.0  e   liu908  7088
         HA     68 GLN  HE21    5.20  #     1     1293.0  e   liu908  7091
         HA     69 MET  HN      3.90  #     2    23960.0  e   liu908  7843
         HA     70 ASP- HN      4.90  #     3     7112.0  e   liu908  7815
         HA     71 ALA  HN      3.90  #     3    29270.0  e   liu908  7808
         HA     71 ALA  QB      3.30  #   s 3M   64390.0  e   liu908  7812
         HA     72 GLY  HN      6.00  #   w 3         .0  e   liu908  7800
         HA     73 TYR  HN      4.50  #     4     9757.0  e   liu908  7756
         HA     73 TYR  HB2     4.30  #     5     7023.0  e   liu908  7760
         HA     73 TYR  QD      5.60  # r   5    22630.0*2e   liu908  7766
         HA     73 TYR  QE      6.50  # r   5     5385.0*2e   liu908  7777
         HA     95 ILE  QG2     7.00  #   w 5M    4396.0  e   liu908  6114
         HA     95 ILE  QD1     7.00  #   w 5M    2603.0  e   liu908  6113
         HB2    68 GLN  HG2     3.10  #     1    32020.0  e   liu908  6688
         HB2    68 GLN  HG3     3.00  #     1    33690.0  e   liu908  6687
         HB2    68 GLN  HE21    4.50  #     1     3153.0  e   liu908  6675
         HB2    68 GLN  HE22    4.60  #     1     2844.0  e   liu908  6672
         HB2    69 MET  HN      3.40 <#     2    50900.0  e   liu908  6702
         HB2    69 MET  HA      4.80  #     2     6695.0  e   liu908  7846
         HB2    71 ALA  HN      6.00 >#   w 3      171.0  e   liu908  7810
         HB2    73 TYR  HB2     3.60  #     5    20600.0  e   liu908  7762
         HB2    73 TYR  QD      6.10  # r   5     9375.0*2e   liu908  7774
         HB2    95 ILE  QG2     7.00 >#   w 5M    2486.0  e   liu908  8528
         HB3    68 GLN  HG2     2.70  #     1    70020.0  e   liu908  6697
         HB3    68 GLN  HG3     3.00  #     1    37670.0  e   liu908  6685
         HB3    68 GLN  HE21    4.40  #     1     3620.0  e   liu908  6694
         HB3    68 GLN  HE22    4.80  #     1     2190.0  e   liu908  6671
         HB3    69 MET  HN      4.40 >#     2    11580.0  e   liu908  6701
         HB3    69 MET  HA      4.80  #     2     7146.0  e   liu908  7845
         HB3    71 ALA  HN      5.80 <#     3     2726.0  e   liu908  7811
         HB3    71 ALA  QB      7.00  #   w 5M    3544.0  e   liu908  7814
         HB3    73 TYR  HN      5.50  #     5     1715.0  e   liu908  7757
         HB3    73 TYR  HB2     3.50  #     5    26790.0  e   liu908  7763
         HB3    73 TYR  HB3     4.00  #     5    10710.0  e   liu908  7764
         HB3    73 TYR  QD      5.70  # r   5    18415.0*2e   liu908  7768
         HB3    95 ILE  HB      3.10  #     5    55930.0  e   liu908  8521
         HB3    95 ILE  QG2     6.70 <#     5M    7409.0  e   liu908  8523
         HG2    68 GLN  HE21    2.60  #     1    87320.0  e   liu908  6690
         HG2    68 GLN  HE22    3.60  #     1    13260.0  e   liu908  6670
         HG2    69 MET  HN      5.70 >#     5     1321.0  e   liu908  6704
         HG2    73 TYR  QD      6.10  # r   5    10650.0*2e   liu908  7776
         HG2    73 TYR  QE      5.90 <# r   5    13260.0*2e   liu908  7782
         HG2    95 ILE  QG2     5.50  #     5M   25200.0  e   liu908  8517
         HG2    95 ILE  HG12    5.90  #     5     1103.0  e   liu908  8557
         HG2    95 ILE  HG13    5.40  #     5     1854.0  e   liu908  8520
         HG2    95 ILE  QD1     7.00  #   w 5M    1069.0  e   liu908  8518
         HG3    68 GLN  HE21    2.90  #     1    47720.0  e   liu908  6674
         HG3    68 GLN  HE22    3.70  #     1    10620.0  e   liu908  6669
         HG3    69 MET  HN      4.40 <#     5     6318.0  e   liu908  6703
         HG3    73 TYR  QD      6.60  # r   5     5040.0*2e   liu908  7772
         HG3    73 TYR  QE      8.00 ># r   5     1008.5*2e   liu908  7779
         HG3    95 ILE  HG13    6.00  #   w 5         .0  e   liu908  8558
         HE21   95 ILE  HA      3.60 <#     5    23730.0  e   liu908  8492
         HE21   95 ILE  HB      3.80  #     5    14750.0  e   liu908  8493
         HE21   95 ILE  QG2     5.60  #     5M   23130.0  e   liu908  8494
         HE21   95 ILE  HG12    5.70  #     5     1325.0  e   liu908  8497
         HE21   95 ILE  HG13    4.30  #     5     7816.0  e   liu908  8508
         HE21   95 ILE  QD1     7.00  #   w 5M    2406.0  e   liu908  8495
         HE22   73 TYR  QD      8.00  # r   5      994.0*2e   liu908  8532
         HE22   95 ILE  HA      4.40 >#     5     6270.0  e   liu908  8498
         HE22   95 ILE  HB      3.50  #     5    27420.0  e   liu908  8499
         HE22   95 ILE  QG2     5.70  #     5M   21040.0  e   liu908  8513
         HE22   95 ILE  HG12    6.00  #   w 5      519.0  e   liu908  8501
         HE22   95 ILE  HG13    6.00  #   w 5      933.0  e   liu908  8500
         HE22   95 ILE  QD1     7.00  #   w 5M    3211.0  e   liu908  8502
 69 MET  
         HN     69 MET  HA      3.70  #     2    33730.0  e   liu908    25
         HN     69 MET  HB2     3.10  #     2    88060.0  e   liu908  2491
         HN     69 MET  HB3     3.50  #     2    42910.0  e   liu908  2493
         HN     69 MET  HG2     3.40 >#     1    18760.0  e   liu908  2492
         HN     69 MET  HG3     2.80 <#     1    57500.0  e   liu908  2490
         HN     69 MET  QE      5.80  #     1M    8493.0  e   liu908  8612
         HN     70 ASP- HN      3.10  #     2    91170.0  e   liu908  4026
         HN     71 ALA  HN      4.90  #     3     7377.0  e   liu908  6244
         HN     72 GLY  HN      6.00  #   w 3      921.0  e   liu908  6249
         HN     73 TYR  HB2     5.90  #     3     2273.0  e   liu908  7784
         HN     73 TYR  QD      7.20  # r   5     2353.5*2e   liu908  6087
         HA     69 MET  HB2     3.40  #     2    54080.0  e   liu908  2500
         HA     69 MET  HB3     3.00  #     2   106900.0  e   liu908  2502
         HA     69 MET  HG2     3.00 <#     1    40840.0  e   liu908  2501
         HA     69 MET  HG3     3.70 >#     1    10110.0  e   liu908  2499
         HA     69 MET  QE      5.90  #     1M    7269.0  e   liu908  8615
         HA     70 ASP- HN      4.00  #     2    19650.0  e   liu908  4027
         HA     70 ASP- HA      5.40  #     2     3161.0  e   liu908  4035
         HA     71 ALA  HN      4.50  #     3    12950.0  e   liu908  6246
         HA     72 GLY  HN      4.50  #     3    11840.0  e   liu908  6250
         HA     72 GLY  HA1     6.00  #   w 3      698.0  e   liu908  6253
         HA     72 GLY  HA2     6.00  #   w 3      630.0  e   liu908  6252
         HA     73 TYR  HN      3.80  #     3    36680.0  e   liu908  6258
         HA     73 TYR  HB2     4.00 <#     3    26320.0  e   liu908  6261
         HA     73 TYR  HB3     5.20 >#     3     4991.0  e   liu908  6260
         HA     73 TYR  QD      6.60  # r   5     4681.0*2e   liu908  7788
         HB2    69 MET  HG2     3.10  #     1    32590.0  e   liu908  2509
         HB2    69 MET  HG3     2.80  #     1    54820.0  e   liu908  2504
         HB2    69 MET  QE      5.60  #     1M   10070.0  e   liu908  8617
         HB2    70 ASP- HN      3.60  #     2    42010.0  e   liu908  4028
         HB2    70 ASP- HA      6.00  #   w 2      757.0  e   liu908  7821
         HB2    71 ALA  HN      5.20  #     3     5069.0  e   liu908  6248
         HB3    69 MET  HG2     2.70  #     1    73650.0  e   liu908  7096
         HB3    69 MET  HG3     3.20  #     1    26920.0  e   liu908  2515
         HB3    69 MET  QE      7.00  #   w 1M        .0  e   liu908  8619
         HB3    70 ASP- HN      3.60  #     2    35490.0  e   liu908  4029
         HB3    70 ASP- HA      6.00  #     2     1702.0  e   liu908  7820
         HB3    71 ALA  HN      5.40  #     3     4022.0  e   liu908  7806
         HB3    72 GLY  HN      6.00  #   w 3     1952.0  e   liu908  6257
         HG2    69 MET  QE      4.60 >#     1M   34010.0  e   liu908  8621
         HG2    70 ASP- HN      5.60 >#     5     1575.0  e   liu908  4030
         HG3    69 MET  QE      3.90 <#     1M   92340.0  e   liu908  8616
         HG3    70 ASP- HN      4.30 <#     5     7365.0  e   liu908  7818
         HG3    71 ALA  HN      6.00  #   w 5         .0  e   liu908  7807
         QE     70 ASP- HN      7.00  #   w 5M    2960.0  e   liu908  8628
 70 ASP- 
         HN     70 ASP- HA      3.30  #     2    62430.0  e   liu908    55
         HN     70 ASP- HB2     3.30  #     2    61640.0  e   liu908   932
         HN     70 ASP- HB3     3.20  #     2    73090.0  e   liu908   934
         HN     71 ALA  HN      3.20  #     2    77910.0  e   liu908  4038
         HN     71 ALA  QB      5.00  #     2M    4949.0  e   liu908  7804
         HN     72 GLY  HN      4.60  #     3    11260.0  e   liu908  6265
         HN     73 TYR  HN      5.50  #     3     3462.0  e   liu908  6271
         HN     73 TYR  QD      7.20  # r   5     2248.5*2e   liu908  6274
         HA     70 ASP- HB2     3.50  #     2    45530.0  e   liu908   937
         HA     70 ASP- HB3     3.30  #     2    65810.0  e   liu908   936
         HA     71 ALA  HN      4.10  #     2    16960.0  e   liu908  4042
         HA     71 ALA  QB      7.00  #   w 2M     499.0  e   liu908  4047
         HA     72 GLY  HN      4.40  #     3    14460.0  e   liu908  6266
         HA     72 GLY  HA1     6.00  #   w 3      359.0  e   liu908  7801
         HB2    71 ALA  HN      4.20  #     2    14780.0  e   liu908  4045
         HB2    72 GLY  HN      6.00 >#   w 3      241.0  e   liu908  6269
         HB3    71 ALA  HN      3.80  #     2    29890.0  e   liu908  4039
         HB3    72 GLY  HN      6.00 <#   w 3     1325.0  e   liu908  6268
 71 ALA  
         HN     71 ALA  HA      3.30  #     2    60420.0  e   liu908    68
         HN     71 ALA  QB      3.30  #   s 2M  169600.0  e   liu908   892
         HN     72 GLY  HN      3.80  #     2    28860.0  e   liu908  4049
         HN     73 TYR  HN      4.20  #     3    19000.0  e   liu908  6276
         HN     73 TYR  QD      6.10  # r   5     9425.0*2e   liu908  6279
         HN     73 TYR  QE      8.00  # r w 5      650.5*2e   liu908  6280
         HA     71 ALA  QB      3.30  #   s 2M  271000.0  e   liu908   888
         HA     72 GLY  HN      4.10  #     2    18310.0  e   liu908  4048
         HA     72 GLY  HA2     4.60  #     2     8958.0  e   liu908  7789
         QB     72 GLY  HN      3.50  #     2M   46860.0  e   liu908  4050
         QB     72 GLY  HA1     5.70  #     2M    2187.0  e   liu908  4054
         QB     72 GLY  HA2     5.70  #     2M    2248.0  e   liu908  7790
         QB     73 TYR  HN      4.40  #     3M   10490.0  e   liu908  6287
         QB     73 TYR  HB2     7.00  #   w 5M     661.0  e   liu908  6288
         QB     73 TYR  QD      7.00  # r   5M   44120.0*2e   liu908  6281
         QB     73 TYR  QE      7.10  # r   5M   38935.0*2e   liu908  6285
 72 GLY  
         HN     72 GLY  HA1     2.90  #     2   153600.0  e   liu908    47
         HN     72 GLY  HA2     3.30  #     2    69820.0  e   liu908    46
         HN     73 TYR  HN      3.00  #     2   118300.0  e   liu908  4059
         HN     73 TYR  HA      5.20  #     2     3955.0  e   liu908  4058
         HN     73 TYR  HB2     5.10 <#     2     4587.0  e   liu908  4061
         HN     73 TYR  HB3     6.00 >#   w 2      549.0  e   liu908  7729
         HN     73 TYR  QD      6.60  # r   5     5070.0*2e   liu908  7730
         HA1    73 TYR  HN      4.50  #     2    10330.0  e   liu908  4057
         HA1    73 TYR  HA      5.90 <#     2     1888.0  e   liu908  7727
         HA1    73 TYR  QD      7.60  # r   5     1430.0*2e   liu908  7735
         HA2    73 TYR  HN      4.60  #     2     8699.0  e   liu908  4056
         HA2    73 TYR  HA      6.00 >#   w 2      203.0  e   liu908  7728
         HA2    73 TYR  QD      8.00  # r w 5      865.0*2e   liu908  7733
 73 TYR  
         HN     73 TYR  HA      3.50  #     2    46400.0  e   liu908    79
         HN     73 TYR  HB2     3.00 <#     2   108800.0  e   liu908  2476
         HN     73 TYR  HB3     4.10 >#     2    18840.0  e   liu908  2475
         HN     73 TYR  QD      4.90  # r   1    48350.0*2e   liu908  4069
         HN     73 TYR  QE      5.70  # m   1     2405.5*2e   liu908  4073
         HN     74 VAL  HN      5.00  #     2     5274.0  e   liu908  4194
         HN     95 ILE  QG2     7.00  #   w 5M    1273.0  e   liu908  6295
         HA     73 TYR  HB2     3.80  #     2    27050.0  e   liu908  2481
         HA     73 TYR  HB3     3.30  #     2    65510.0  e   liu908  2480
         HA     73 TYR  QD      3.70  # m   1    69400.0*2e   liu908  4067
         HA     73 TYR  QE      5.00  # i   1     3690.0*2e   liu908  4071
         HA     74 VAL  HN      3.00  #     2   106200.0  e   liu908  4195
         HA     74 VAL  HB      4.70  #     2     7839.0  e   liu908  7687
         HA     74 VAL  QG1     6.00  #     5M   14080.0  e   liu908  7689
         HB2    73 TYR  QD      4.90  # r   1    45020.0*2e   liu908  4062
         HB2    73 TYR  QE      6.20  # r   1     4530.5*2e   liu908  4063
         HB2    74 VAL  HN      4.30 >#     2    12790.0  e   liu908  4205
         HB2    95 ILE  QG2     6.50  #     5M    8945.0  e   liu908  6297
         HB3    73 TYR  QD      4.80  # r   1    59900.0*2e   liu908  4066
         HB3    73 TYR  QE      6.50  # r   1     3257.5*2e   liu908  4070
         HB3    74 VAL  HN      3.70 <#     2    33830.0  e   liu908  4196
         HB3    74 VAL  HA      5.10  #     2     4868.0  e   liu908  7684
         HB3    74 VAL  QG1     7.00  #   w 5M    2144.0  e   liu908  6289
         HB3    74 VAL  QG2     7.00  #   w 5M    4025.0  e   liu908  6293
         HB3    95 ILE  QG2     6.10  #     5M   13660.0  e   liu908  6298
         QD     73 TYR  QE      6.60  # rr  1    84125.0*4e   liu908  4072
         QD     74 VAL  HN      5.80  # r   5    16800.0*2e   liu908  4201
         QD     91 LYS+ HA      8.00  # r w 5      548.0*2e   liu908  7191
         QD     91 LYS+ QB      7.30  # rm  5     7360.0*4e   liu908  6326
         QD     91 LYS+ HD2     8.00  # r w 5      767.0*2e   liu908  8772
         QD     94 GLU- QB      9.00  # rmw 5       83.5*4e   liu908  7182
         QD     95 ILE  HA      8.00  # r w 5      701.5*2e   liu908  8538
         QD     95 ILE  HB      8.00  # r w 5      479.5*2e   liu908  8534
         QD     95 ILE  QG2     7.80  # r   5M   17220.0*2e   liu908  6312
         QD     95 ILE  HG12    7.70  # r   5     1326.5*2e   liu908  8535
         QD     95 ILE  QD1     9.00  # r w 5M    5210.0*2e   liu908  6311
         QE     74 VAL  HN      7.90  # r   5     1096.5*2e   liu908  4202
         QE     91 LYS+ HN      7.80  # r   5     1556.0*2e   liu908  7190
         QE     91 LYS+ HA      6.50  # r   5     5590.0*2e   liu908  6322
         QE     91 LYS+ QB      6.90  # rm  5    13932.5*4e   liu908  6325
         QE     91 LYS+ HG2     7.60 ># r   5     1542.0*2e   liu908  6328
         QE     91 LYS+ HG3     5.50 <# r   5    27420.0*2e   liu908  7193
         QE     91 LYS+ HD2     6.10  # r   5    10290.0*2e   liu908  8757
         QE     91 LYS+ HD3     6.20  # r   5     8000.0*2e   liu908  7197
         QE     94 GLU- HN      7.30  # r   5     2205.5*2e   liu908  7180
         QE     94 GLU- QB      6.90  # rm  5    13717.5*4e   liu908  6319
         QE     94 GLU- QG      7.70  # rm  5     4262.5*4e   liu908  9018
         QE     95 ILE  HA      8.00  # r   5      998.5*2e   liu908  8539
         QE     95 ILE  HB      8.00  # r w 5      375.5*2e   liu908  8537
         QE     95 ILE  QG2     8.10  # r   5M   13740.0*2e   liu908  6313
         QE     95 ILE  HG12    8.00  # r   5     1034.0*2e   liu908  6314
         QE     95 ILE  QD1     9.00  # r w 5M    1950.5*2e   liu908  8536
 74 VAL  
         HN     74 VAL  HA      3.70  #     2    33450.0  e   liu908  4176
         HN     74 VAL  HB      3.60  #     2    40420.0  e   liu908  4184
         HN     74 VAL  QG1     4.10 <#     1M   66650.0  e   liu908  4186
         HN     74 VAL  QG2     5.60 >#     1M   10700.0  e   liu908  4166
         HN     95 ILE  QG2     7.00  #   w 5M    1072.0  e   liu908  8541
         HA     74 VAL  HB      3.60  #     2    37940.0  e   liu908  4181
         HA     74 VAL  QG1     4.40  #     1M   43530.0  e   liu908  4183
         HA     74 VAL  QG2     4.60  #     1M   35650.0  e   liu908  4182
         HA     75 LEU  HN      3.90  #     2    25200.0  e   liu908  8872
         HA     95 ILE  QG2     7.00  #   w 5M    1761.0  e   liu908  6307
         HB     74 VAL  QG1     3.60 <#     1M  144500.0  e   liu908  4189
         HB     74 VAL  QG2     4.30 >#     1M   54640.0  e   liu908  4192
         HB     87 ILE  QD1     7.00  #   w 5M    4957.0  e   liu908  6330
         QG1    79 ALA  QB      6.70  # m   5M   20870.0  e   liu908  8491
         QG2    75 LEU  HN      6.50  #     5M    9441.0  e   liu908  8873
         QG2    79 ALA  QB      6.30  # m   5M   31810.0  e   liu908  6332
 75 LEU  
         HN     75 LEU  HA      4.20  #     2    15300.0  e   liu908     5
         HN     75 LEU  HB3     5.50  #     2     2919.0  e   liu908  6995
         HN     75 LEU  QD1     7.00  #   w 1M    2283.0  e   liu908  6994
         HA     76 THR  HN      6.00  #   w 2      146.0  e   liu908  8874
         HB3    76 THR  HN      6.00  #   w 2      485.0  e   liu908  8583
         QD1    76 THR  HN      7.00  #   w 5M    3786.0  e   liu908  8581
 76 THR  
         HN     76 THR  HA      6.00  #   w 2      561.0  e   liu908  6939
         HA     76 THR  HB      6.00  #   w 2     1393.0  e   liu908  8574
         HB     76 THR  QG2     7.00  #   w 1M     852.0  e   liu908  8575
 78 HIS  
         HA     78 HIS  HB3     4.60  #     2     8445.0  e   liu908  8745
 79 ALA  
         HN     79 ALA  HA      4.70  #     2     7269.0  e   liu908    59
         HN     79 ALA  QB      4.10  #     2M   16920.0  e   liu908   919
         HN     80 TYR  HN      5.80  #     2     2210.0  e   liu908  7606
         HA     79 ALA  QB      3.30  #   s 2M   74910.0  e   liu908   918
         HA     80 TYR  HN      2.80  #     2   198700.0  e   liu908  4097
         HA     80 TYR  HA      6.00  #   w 2      997.0  e   liu908  4101
         HA     80 TYR  HB2     4.50 <#     2     9678.0  e   liu908  7609
         HA     80 TYR  HB3     6.00 >#   w 2      580.0  e   liu908  7611
         HA     80 TYR  QD      7.90  # r   5     1067.0*2e   liu908  4099
         QB     80 TYR  HN      4.00  #     2M   20310.0  e   liu908  4104
         QB     80 TYR  HA      6.00  #     2M    1717.0  e   liu908  7607
 80 TYR  
         HN     80 TYR  HA      3.60  #     2    39240.0  e   liu908    62
         HN     80 TYR  HB2     3.10 <#     2    90260.0  e   liu908   908
         HN     80 TYR  HB3     3.70 >#     2    30240.0  e   liu908   900
         HN     80 TYR  QD      5.40  # r   1    18080.0*2e   liu908  4085
         HN     80 TYR  QE      6.00  # m   1     1686.0*2e   liu908  4088
         HN     81 PRO  HD2     5.20  #     5     2360.0  e   liu908  4123
         HN     81 PRO  HD3     5.10  #     5     2767.0  e   liu908  4124
         HN     82 THR  QG2     6.70  #     5M    7450.0  e   liu908  6334
         HA     80 TYR  HB2     3.50  #     2    49840.0  e   liu908   906
         HA     80 TYR  HB3     3.10  #     2    92410.0  e   liu908   905
         HA     80 TYR  QD      3.80  # m   1    61150.0*2e   liu908  4079
         HA     80 TYR  QE      5.00  # i   1     3369.5*2e   liu908  4080
         HA     81 PRO  HG2     4.50  #     5     5631.0  e   liu908  7533
         HA     81 PRO  HG3     4.20  #     5     9076.0  e   liu908  7531
         HA     81 PRO  HD2     3.10  #     5    51020.0  e   liu908  3281
         HA     81 PRO  HD3     3.10  #     5    55680.0  e   liu908  3282
         HB2    80 TYR  QD      4.70  # r   1    70350.0*2e   liu908  4087
         HB2    80 TYR  QE      6.00 <# r   1     6905.0*2e   liu908  4090
         HB2    82 THR  QG2     6.10 <#     5M   12850.0  e   liu908  7529
         HB3    80 TYR  QD      4.70  # r   1    64250.0*2e   liu908  4093
         HB3    80 TYR  QE      6.60 ># r   1     2670.0*2e   liu908  4094
         HB3    81 PRO  HD2     3.90  #     5    13000.0  e   liu908  4131
         HB3    81 PRO  HD3     4.40  #     5     6767.0  e   liu908  4132
         HB3    82 THR  QG2     7.00 >#   w 5M    1297.0  e   liu908  7530
         QD     80 TYR  QE      6.70  # rr  1    70950.0*4e   liu908  4082
         QD     81 PRO  HD2     6.00  # r   5    10760.0*2e   liu908  4125
         QD     81 PRO  HD3     6.30  # r   5     7240.0*2e   liu908  4126
 81 PRO  
         HA     81 PRO  HB2     3.70  #     2    35350.0  e   liu908  7487
         HA     81 PRO  HB3     3.80  #     2    27700.0  e   liu908  7506
         HA     81 PRO  HG2     4.20 <#     1     5060.0  e   liu908  7497
         HA     81 PRO  HG3     6.00 >#   w 1      448.0  e   liu908  7498
         HA     81 PRO  HD2     6.00  #   w 1      492.0  e   liu908  4106
         HA     81 PRO  HD3     5.60  #     1      842.0  e   liu908  4107
         HA     82 THR  HN      3.20  #     2    81930.0  e   liu908  4135
         HA     85 VAL  QQG     8.20  #     5M    6865.0*2e   liu908  6336
         HB2    81 PRO  HG2     3.00  #     1    39040.0  e   liu908  7489
         HB2    81 PRO  HG3     3.00  #     1    37180.0  e   liu908  7492
         HB2    81 PRO  HD2     3.80  #     1     9210.0  e   liu908  7493
         HB2    81 PRO  HD3     4.40  #     1     3434.0  e   liu908  7494
         HB2    82 THR  HN      4.10  #     2    16440.0  e   liu908  7501
         HB2    83 SER  HN      5.30  #     3     4672.0  e   liu908  7499
         HB3    81 PRO  HG2     3.30  #     1    21510.0  e   liu908  7510
         HB3    81 PRO  HG3     3.10  #     1    28000.0  e   liu908  7514
         HB3    81 PRO  HD2     4.20  #     1     4555.0  e   liu908  7511
         HB3    81 PRO  HD3     4.50  #     1     3076.0  e   liu908  7512
         HB3    82 THR  HN      4.50  #     2     9789.0  e   liu908  7520
         HB3    83 SER  HN      5.00  #     3     6526.0  e   liu908  7519
         HG2    81 PRO  HD2     2.80  #     1    60780.0  e   liu908  4158
         HG2    81 PRO  HD3     3.10  #     1    29500.0  e   liu908  6951
         HG3    81 PRO  HD2     3.00  #     1    40510.0  e   liu908  4159
         HG3    81 PRO  HD3     2.90  #     1    48160.0  e   liu908  7490
 82 THR  
         HN     82 THR  HA      3.80  #     2    28870.0  e   liu908    11
         HN     82 THR  HB      4.70  #     2     7727.0  e   liu908  3278
         HN     82 THR  QG2     4.80  #     1M   26230.0  e   liu908  3279
         HN     83 SER  HN      2.70  #     2   206900.0  e   liu908  4149
         HN     83 SER  HA      5.00  #     2     5321.0  e   liu908  7479
         HN     83 SER  HB2     4.80  #     2     6363.0  e   liu908  7482
         HN     85 VAL  QQG     8.40  #   w 5M    5420.0*2e   liu908  6339
         HA     82 THR  HB      3.60  #     2    41810.0  e   liu908  4117
         HA     82 THR  QG2     4.30  #     1M   50770.0  e   liu908  4114
         HA     83 SER  HN      4.00  #     2    19250.0  e   liu908  4146
         HA     83 SER  HA      5.20  #     2     3923.0  e   liu908  7480
         HB     82 THR  QG2     3.70  #     1M  118700.0  e   liu908  4119
         HB     83 SER  HN      5.50  #     2     2938.0  e   liu908  4147
         HB     83 SER  HB2     6.00  #   w 5      325.0  e   liu908  7484
         QG2    83 SER  HN      6.20  #     5M   12140.0  e   liu908  4148
         QG2    83 SER  HA      7.00  #     5M    5686.0  e   liu908  4856
 83 SER  
         HN     83 SER  HA      3.60  #     2    36840.0  e   liu908  1109
         HN     83 SER  HB2     4.30  #     2    13820.0  e   liu908  1097
         HN     83 SER  HB3     4.90  #     2     6051.0  e   liu908  1098
         HN     84 ASP- HN      5.00  #     2     5109.0  e   liu908  4141
         HN     84 ASP- HA      6.00  #   w 2     1467.0  e   liu908  7461
         HN     85 VAL  HB      5.30  #     3     4789.0  e   liu908  7417
         HN     85 VAL  QQG     8.00  #     5M    8195.0*2e   liu908  6340
         HA     83 SER  HB2     3.10  #     2    88740.0  e   liu908  1102
         HA     83 SER  HB3     3.10  #     2    93680.0  e   liu908  1104
         HA     84 ASP- HN      3.30  #     2    70610.0  e   liu908  4138
         HA     84 ASP- HB3     6.00  #   w 2     1022.0  e   liu908  7464
         HB2    84 ASP- HN      4.00 >#     2    20800.0  e   liu908  4139
         HB3    84 ASP- HN      3.40 <#     2    56930.0  e   liu908  4140
         HB3    84 ASP- HA      6.00  #   w 2      247.0  e   liu908  7462
         HB3    85 VAL  QQG     8.40  #   w 5M    1702.0*2e   liu908  6344
 84 ASP- 
         HN     84 ASP- HA      3.70  #     2    31440.0  e   liu908    48
         HN     84 ASP- HB2     3.90 >#     2    23520.0  e   liu908  1084
         HN     84 ASP- HB3     3.30 <#     2    65050.0  e   liu908  1085
         HN     85 VAL  HN      5.00  #     2     5565.0  e   liu908  4843
         HN     85 VAL  QQG     8.40  #   w 5M    1197.5*2e   liu908  7408
         HA     84 ASP- HB2     3.30  #     2    59890.0  e   liu908  1088
         HA     84 ASP- HB3     3.70  #     2    31010.0  e   liu908  1089
         HA     85 VAL  HN      2.90  #     2   153400.0  e   liu908  4845
         HA     85 VAL  HA      5.50  #     2     2906.0  e   liu908  7404
         HA     85 VAL  HB      5.20  #     2     4243.0  e   liu908  4853
         HA     85 VAL  QQG     8.10  #     5M    7295.0*2e   liu908  4854
         HB2    85 VAL  HN      3.90 <#     2    25870.0  e   liu908  4850
         HB2    85 VAL  HA      5.70 <#     2     2327.0  e   liu908  7406
         HB3    85 VAL  HN      5.10 >#     2     4640.0  e   liu908  4852
         HB3    85 VAL  HA      6.00 >#   w 2       82.0  e   liu908  7407
 85 VAL  
         HN     85 VAL  HA      3.70  #     2    30930.0  e   liu908    45
         HN     85 VAL  HB      3.90  #     2    23910.0  e   liu908  2544
         HN     85 VAL  QQG     5.90  # s   1M   55800.0*2e   liu908  2545
         HN     86 VAL  HN      4.80  #     2     6820.0  e   liu908  4835
         HN     86 VAL  HA      5.90  #     2     1854.0  e   liu908  7345
         HN     86 VAL  QG2     7.00  #   w 5M    2747.0  e   liu908  7352
         HA     85 VAL  HB      3.30  #     2    66260.0  e   liu908  2547
         HA     85 VAL  QQG     5.10  # i   1M   36410.0*2e   liu908  2548
         HA     86 VAL  HN      2.90  #     2   152600.0  e   liu908  4837
         HA     86 VAL  HA      4.70  #     2     7680.0  e   liu908  7346
         HA     86 VAL  HB      5.70  #     2     2255.0  e   liu908  7351
         HA     86 VAL  QG2     6.00  #     5M   14130.0  e   liu908  7354
         HB     85 VAL  QQG     5.40  #     1M   81900.0*2e   liu908  4725
         HB     86 VAL  HN      3.90  #     2    26470.0  e   liu908  4838
         HB     86 VAL  HA      6.00  #   w 2      660.0  e   liu908  7347
         QQG    86 VAL  HN      6.50  #     5M   40200.0*2e   liu908  4839
         QQG    86 VAL  HA      8.40  #     5M    6030.0*2e   liu908  7350
         QQG    87 ILE  HN      8.30  #     5M    6570.0*2e   liu908  6346
         QQG    87 ILE  HA      8.40  #   w 5M    2381.5*2e   liu908  6348
         QQG    87 ILE  HB      7.00  #     5M   23180.0*2e   liu908  6349
         QQG    87 ILE  QG2     8.00  # q   5M   23570.0*2e   liu908  6352
 86 VAL  
         HN     86 VAL  HA      3.50  #     2    45300.0  e   liu908     8
         HN     86 VAL  HB      3.20  #     2    72330.0  e   liu908  1074
         HN     86 VAL  QG1     5.60 >#     1M   10840.0  e   liu908  1069
         HN     86 VAL  QG2     4.20 <#     1M   60530.0  e   liu908  1068
         HN     87 ILE  HN      4.70  #     2     7255.0  e   liu908  4822
         HN     87 ILE  HA      5.50  #     2     2871.0  e   liu908  4830
         HN     87 ILE  HB      5.10  #     2     4752.0  e   liu908  4829
         HA     86 VAL  HB      3.70  #     2    34930.0  e   liu908  4758
         HA     86 VAL  QG1     3.90  #     1M   90550.0  e   liu908  1073
         HA     86 VAL  QG2     3.80  #     1M  102300.0  e   liu908  1072
         HA     87 ILE  HN      2.70  #     2   204800.0  e   liu908  3373
         HA     87 ILE  HA      6.00  #   w 2      949.0  e   liu908  4819
         HA     87 ILE  HB      4.90  #     2     6247.0  e   liu908  7301
         HA     87 ILE  QG2     6.80  #     5M    7086.0  e   liu908  3375
         HB     86 VAL  QG1     3.80  #     1M  108700.0  e   liu908  1083
         HB     86 VAL  QG2     3.60  #     1M  163500.0  e   liu908  1078
         HB     87 ILE  HN      4.80  #     2     6918.0  e   liu908  4823
         QG1    87 ILE  HN      5.10 <#     5M   37400.0  e   liu908  4825
         QG1    87 ILE  HA      6.30  #     5M   10480.0  e   liu908  7299
         QG1    88 GLU- HN      7.00  #   w 5M    2211.0  e   liu908  6353
         QG1    88 GLU- HG3     7.00  #   w 5M    2560.0  e   liu908  7265
         QG2    87 ILE  HN      6.90 >#     5M    6088.0  e   liu908  4824
 87 ILE  
         HN     87 ILE  HA      3.80  #     2    28180.0  e   liu908    74
         HN     87 ILE  HB      3.30  #     2    65930.0  e   liu908  1063
         HN     87 ILE  QG2     4.40  #     1M   45610.0  e   liu908  1040
         HN     87 ILE  QG1     5.50  # m   1     2980.5*2e   liu908  1039
         HN     87 ILE  QD1     5.20  #     1M   16520.0  e   liu908  1041
         HN     88 GLU- HN      4.40  #     2    11780.0  e   liu908  3368
         HA     87 ILE  HB      3.30  #     2    63940.0  e   liu908  1059
         HA     87 ILE  QG2     4.40  #     1M   47010.0  e   liu908  1062
         HA     87 ILE  QG1     3.50  # i   1    47310.0*2e   liu908  1061
         HA     87 ILE  QD1     4.40  #     1M   42010.0  e   liu908  3380
         HA     88 GLU- HN      2.70  #     2   235500.0  e   liu908  3377
         HA     88 GLU- HB2     5.10  #     2     4419.0  e   liu908  3381
         HA     88 GLU- HG3     5.10  #     5     2587.0  e   liu908  7263
         HB     87 ILE  QG2     3.50  #     1M  186100.0  e   liu908  1050
         HB     87 ILE  QG1     4.00  # m   1    37575.0*2e   liu908  1056
         HB     87 ILE  QD1     3.60  #     1M  158700.0  e   liu908  1048
         HB     88 GLU- HN      4.30  #     2    13620.0  e   liu908  3385
         QG2    87 ILE  QG1     4.60  # m   1M  138450.0*2e   liu908  4754
         QG2    87 ILE  QD1     4.90  # m   1M   96300.0  e   liu908  4757
         QG2    88 GLU- HN      6.40  #     5M    9886.0  e   liu908  3387
         QG2    89 THR  QG2     5.60  # m   5M   74720.0  e   liu908  6359
         QG1    87 ILE  QD1     4.70  # m   1M  132600.0*2e   liu908  4755
         QG1    88 GLU- HN      4.60  # m   5    22185.0*2e   liu908  3386
         QD1    88 GLU- HN      4.60  #     5M   72040.0  e   liu908  3388
         QD1    88 GLU- HA      6.60  #     5M    8465.0  e   liu908  3376
         QD1    88 GLU- HB2     7.00  #   w 5M    2128.0  e   liu908  3384
         QD1    89 THR  HN      6.60  #     5M    8476.0  e   liu908  6362
         QD1    89 THR  HA      6.00  #     5M   14890.0  e   liu908  6356
         QD1    89 THR  QG2     5.90  # m   5M   48700.0  e   liu908  6357
         QD1    91 LYS+ HN      7.00  #   w 5M    4497.0  e   liu908  6365
 88 GLU- 
         HN     88 GLU- HA      3.60  #     2    37400.0  e   liu908    51
         HN     88 GLU- HB2     3.00 <#     2   107300.0  e   liu908  1024
         HN     88 GLU- HB3     5.20 >#     2     4142.0  e   liu908  1025
         HN     88 GLU- HG2     4.00 >#     1     6094.0  e   liu908  1023
         HN     88 GLU- HG3     3.10 <#     1    31170.0  e   liu908  1022
         HN     89 THR  HN      4.60  #     2     8321.0  e   liu908  3357
         HN     89 THR  HA      6.00  #   w 2      625.0  e   liu908  4815
         HN     91 LYS+ QB      7.00  # m w 3     1122.0*2e   liu908  6370
         HN     91 LYS+ HG2     6.00  #   w 5      923.0  e   liu908  6369
         HN     91 LYS+ QE      7.00  # m w 5      658.5*2e   liu908  6368
         HA     88 GLU- HB2     3.60  #     2    35600.0  e   liu908  1028
         HA     88 GLU- HB3     3.20  #     2    87020.0  e   liu908  1029
         HA     88 GLU- HG2     2.90  #     1    41840.0  e   liu908  1027
         HA     88 GLU- HG3     3.40  #     1    16890.0  e   liu908  1026
         HA     89 THR  HN      2.70  #     2   222700.0  e   liu908  3363
         HA     89 THR  HA      6.00  #   w 2      701.0  e   liu908  7246
         HA     89 THR  QG2     5.70  #     5M   19260.0  e   liu908  3362
         HA     89 THR  HG1     6.00  #   w 5      315.0  e   liu908  6899
         HA     91 LYS+ QE      6.30  # m   5     2183.5*2e   liu908  6371
         HB2    88 GLU- HG2     3.10  #     1    33000.0  e   liu908  4747
         HB2    88 GLU- HG3     2.50  #     1   118100.0  e   liu908  1036
         HB2    89 THR  HN      4.10  #     2    16790.0  e   liu908  3365
         HB2    91 LYS+ HG2     5.60  #     5     1441.0  e   liu908  6376
         HB2    91 LYS+ HD3     5.10  #     5     2731.0  e   liu908  6375
         HB2    91 LYS+ QE      4.10  # m   5    50950.0*2e   liu908  6374
         HB3    88 GLU- HG2     2.60  #     1    79280.0  e   liu908  4748
         HB3    88 GLU- HG3     3.10  #     1    33010.0  e   liu908  4746
         HB3    89 THR  HN      3.90  #     2    22870.0  e   liu908  3364
         HB3    89 THR  HA      6.00  #   w 2      560.0  e   liu908  7247
         HB3    91 LYS+ HG2     6.00  #   w 5      261.0  e   liu908  8471
         HG2    89 THR  HN      5.10  #     5     2712.0  e   liu908  3366
         HG3    89 THR  HN      5.30  #     5     2111.0  e   liu908  3367
 89 THR  
         HN     89 THR  HA      3.70  #     2    32490.0  e   liu908     6
         HN     89 THR  HB      4.00  #     2    20530.0  e   liu908  1010
         HN     89 THR  QG2     3.90  #     1M   90840.0  e   liu908  1011
         HN     89 THR  HG1     3.80  #     1     8586.0  e   liu908  6876
         HN     90 HIS  HN      4.90  #     2     6211.0  e   liu908  3353
         HN     90 HIS  QB      7.00  # m w 2      750.5*2e   liu908  6896
         HA     89 THR  HB      5.40  #     2     3311.0  e   liu908  4121
         HA     89 THR  QG2     3.90  #     1M   94070.0  e   liu908  1015
         HA     89 THR  HG1     3.90  #     1     8071.0  e   liu908  6873
         HA     90 HIS  HN      3.20  #     2    79420.0  e   liu908  3351
         HA     91 LYS+ HN      4.40  #     3    14220.0  e   liu908  6380
         HA     91 LYS+ QB      6.30  # m   3     4524.5*2e   liu908  6381
         HA     91 LYS+ HG2     4.20  #     5     8405.0  e   liu908  6382
         HB     89 THR  QG2     3.70  #     1M  122300.0  e   liu908  1016
         HB     89 THR  HG1     2.80  #     1   111600.0  e   liu908  6872
         HB     90 HIS  HN      2.90  #     2   151800.0  e   liu908  3352
         HB     91 LYS+ HN      6.00  #   w 3      968.0  e   liu908  6383
         QG2    89 THR  HG1     4.70  #     1M   29970.0  e   liu908  6871
         QG2    90 HIS  HN      6.20  #     5M   12110.0  e   liu908  3356
         QG2    90 HIS  HE1     7.00  #   w 5M    2213.0  e   liu908  4814
         QG2    91 LYS+ HN      7.00  #   w 5M    4109.0  e   liu908  7189
         HG1    90 HIS  HN      4.20  #     5     8481.0  e   liu908  6874
         HG1    90 HIS  QB      5.50  # m   5     5295.0*2e   liu908  6878
         HG1    90 HIS  HD1     6.00  #   w 5      379.0  e   liu908  6892
         HG1    90 HIS  HE1     3.70  #     5    18550.0  e   liu908  6879
 90 HIS  
         HN     90 HIS  HA      3.00  #     2   127400.0  e   liu908    67
         HN     90 HIS  QB      5.00  # i   2    11315.0*2e   liu908   895
         HN     90 HIS  HD1     5.10  #     1     1548.0  e   liu908  4734
         HN     90 HIS  HE1     5.00  #     1     1758.0  e   liu908  4735
         HN     91 LYS+ HN      3.50  #     2    44000.0  e   liu908  3348
         HN     91 LYS+ HG2     6.00  #   w 5      290.0  e   liu908  7188
         HN     92 GLU- HN      6.00  #   w 3      989.0  e   liu908  6385
         HA     90 HIS  QB      4.50  # m   2    43735.0*2e   liu908   897
         HA     90 HIS  HD1     3.50  #     1    13940.0  e   liu908  4741
         HA     91 LYS+ HN      3.40  #     2    53060.0  e   liu908  3345
         HA     92 GLU- HN      4.30  #     3    15720.0  e   liu908  6386
         QB     90 HIS  HD1     3.80  # m   1    55450.0*2e   liu908  4742
         QB     90 HIS  HE1     7.00  # m w 1      439.0*2e   liu908  4739
         QB     91 LYS+ HN      6.30  # m   2     3609.5*2e   liu908  3346
         QB     91 LYS+ HA      7.00  # m w 2      117.0*2e   liu908  7187
         QB     92 GLU- HN      7.00  # m w 3      433.5*2e   liu908  6389
         HD1    90 HIS  HE1     3.50  #     1    14550.0  e   liu908  4738
 91 LYS+ 
         HN     91 LYS+ HA      3.70  #     2    30540.0  e   liu908    17
         HN     91 LYS+ QB      4.10  # i   2    45790.0*2e   liu908  2529
         HN     91 LYS+ HG2     3.00 <#     1    36570.0  e   liu908  2527
         HN     91 LYS+ HG3     4.20 >#     1     4983.0  e   liu908  4789
         HN     91 LYS+ HD2     5.10 >#     1     1503.0  e   liu908  8762
         HN     91 LYS+ HD3     4.00 <#     1     6372.0  e   liu908  4790
         HN     92 GLU- HN      3.30  #     2    60750.0  e   liu908  3340
         HN     92 GLU- HA      5.70  #     2     2286.0  e   liu908  3336
         HN     92 GLU- HB2     4.90 <#     2     5696.0  e   liu908  8866
         HN     92 GLU- HB3     6.00 >#   w 2      419.0  e   liu908  8867
         HA     91 LYS+ QB      4.50  # m   2    42210.0*2e   liu908  2539
         HA     91 LYS+ HG2     3.10 <#     1    28530.0  e   liu908  2540
         HA     91 LYS+ HG3     3.90 >#     1     7117.0  e   liu908  4791
         HA     91 LYS+ HD2     3.10 >#     1    28160.0  e   liu908  8764
         HA     91 LYS+ HD3     2.50 <#     1   123800.0  e   liu908  4796
         HA     91 LYS+ QE      5.30  # m   1     4415.5*2e   liu908  2538
         HA     92 GLU- HN      3.80  #     2    29740.0  e   liu908  4807
         HA     92 GLU- HA      6.00  #   w 2      694.0  e   liu908  7184
         HA     93 GLU- HN      4.30  #     3    15980.0  e   liu908  6390
         HA     94 GLU- HN      4.40  #     3    13440.0  e   liu908  6392
         HA     94 GLU- QB      7.00  # m w 3      858.0*2e   liu908  6393
         HA     94 GLU- QG      6.60  # m   5     1508.5*2e   liu908  6394
         QB     91 LYS+ HG2     3.40  # m   1   163650.0*2e   liu908  2532
         QB     91 LYS+ HG3     3.30  # m s 1   174750.0*2e   liu908  4795
         QB     91 LYS+ HD2     4.10  # m   1    31960.0*2e   liu908  8767
         QB     91 LYS+ HD3     4.50  # m   1    13815.0*2e   liu908  4800
         QB     91 LYS+ QE      6.20  # mm  1     4837.5*4e   liu908  2533
         QB     92 GLU- HN      6.40  # m   2     3345.5*2e   liu908  3338
         QB     94 GLU- HN      6.80  # m   3     2663.0*2e   liu908  6395
         QB     94 GLU- QB      6.90  # mm  5     3402.5*4e   liu908  6397
         HG2    91 LYS+ HD2     3.00  #     1    34380.0  e   liu908  8766
         HG2    91 LYS+ HD3     2.60  #     1    97370.0  e   liu908  4799
         HG2    91 LYS+ QE      4.20 <# m   1    24055.0*2e   liu908  2536
         HG2    92 GLU- HN      5.70  #     5     1290.0  e   liu908  8481
         HG3    91 LYS+ HD2     3.90  #     1     7321.0  e   liu908  8759
         HG3    91 LYS+ HD3     2.90  #     1    49170.0  e   liu908  4793
         HG3    91 LYS+ QE      5.10 ># m   1     5930.0*2e   liu908  4806
         HG3    92 GLU- HN      6.00  #   w 5      855.0  e   liu908  4811
         HD2    91 LYS+ QE      4.90 ># m   1     7590.0*2e   liu908  8761
         HD3    91 LYS+ QE      4.30 <# m   1    20370.0*2e   liu908  4805
         HD3    92 GLU- HN      6.00  #   w 5      527.0  e   liu908  4809
         HD3    95 ILE  QG2     7.00  #   w 5M    1106.0  e   liu908  6401
         QE     95 ILE  QG2     8.00  # m w 5M    1639.5*2e   liu908  6399
 92 GLU- 
         HN     92 GLU- HA      3.70  #     2    34270.0  e   liu908    81
         HN     92 GLU- HB2     3.60  #     2    39830.0  e   liu908   757
         HN     92 GLU- HB3     3.20  #     2    80580.0  e   liu908   759
         HN     92 GLU- QG      5.10  # m   1     5895.0*2e   liu908   758
         HN     93 GLU- HN      3.60  #     2    37420.0  e   liu908  3327
         HN     94 GLU- HN      5.30  #     3     4485.0  e   liu908  6403
         HN     95 ILE  QD1     7.00  #   w 5M     850.0  e   liu908  6407
         HA     92 GLU- HB2     3.90  #     2    22700.0  e   liu908   767
         HA     92 GLU- HB3     3.40  #     2    51020.0  e   liu908   771
         HA     92 GLU- QG      4.20  # i   1    11235.0*2e   liu908   762
         HA     93 GLU- HN      4.70  #     2     7388.0  e   liu908  3324
         HA     93 GLU- HA      6.00  #   w 2     1481.0  e   liu908  4784
         HA     94 GLU- HN      5.20  #     3     4881.0  e   liu908  6405
         HA     95 ILE  HN      4.70  #     3     8817.0  e   liu908  6408
         HA     95 ILE  QG2     7.00  #   w 5M    4020.0  e   liu908  6415
         HA     95 ILE  HG12    3.50  #     5    27960.0  e   liu908  6410
         HA     95 ILE  HG13    4.00  #     5    12200.0  e   liu908  3342
         HA     95 ILE  QD1     7.00  #     5M    5701.0  e   liu908  6414
         HA     96 VAL  HN      6.00  #   w 3      617.0  e   liu908  6434
         HA     96 VAL  QG1     7.00 <#   w 5M    5120.0  e   liu908  8453
         HA     96 VAL  QG2     7.00 >#   w 5M     747.0  e   liu908  6423
         HB2    92 GLU- QG      3.80  # m   1    56800.0*2e   liu908   775
         HB2    93 GLU- HN      4.30  #     2    13410.0  e   liu908  3325
         HB2    93 GLU- QG      7.00  # m w 5         .0*2e   liu908  9028
         HB3    92 GLU- QG      3.80  # m   1    53600.0*2e   liu908  4732
         HB3    93 GLU- HN      4.20  #     2    15760.0  e   liu908  3330
         QG     93 GLU- HN      4.80  # m   5    15700.0*2e   liu908  3329
         QG     93 GLU- HA      4.80  # m   5    14650.0*2e   liu908  4782
         QG     93 GLU- QG      8.00  # mm  5     1028.5*4e   liu908  9027
 93 GLU- 
         HN     93 GLU- HA      3.30  #     2    70370.0  e   liu908    26
         HN     93 GLU- QB      4.00  # i   2    58550.0*2e   liu908  3316
         HN     93 GLU- QG      4.20  # m   1    25460.0*2e   liu908  3315
         HN     94 GLU- HN      3.40  #     2    56200.0  e   liu908  3319
         HN     95 ILE  HN      5.80  #     3     2703.0  e   liu908  6430
         HN     95 ILE  HG12    5.60  #     5     1524.0  e   liu908  8454
         HN     96 VAL  QG2     7.00  #   w 5M     533.0  e   liu908  8457
         HA     93 GLU- QB      4.10  # m   2    89550.0*2e   liu908  3313
         HA     93 GLU- QG      3.90  # i   1    19930.0*2e   liu908  3312
         HA     94 GLU- HN      3.80  #     2    29950.0  e   liu908  3320
         HA     94 GLU- HA      5.90  #     2     1909.0  e   liu908  7179
         HA     95 ILE  HN      4.40  #     3    15320.0  e   liu908  6425
         HA     95 ILE  HG12    5.50 <#     5     1747.0  e   liu908  8559
         HA     95 ILE  HG13    6.00 >#   w 5      186.0  e   liu908  7151
         HA     95 ILE  QD1     7.00  #   w 5M    2415.0  e   liu908  6427
         HA     96 VAL  HN      4.40  #     3    13930.0  e   liu908  6432
         HA     96 VAL  QG1     7.00 >#   w 5M    3942.0  e   liu908  6435
         HA     96 VAL  QG2     5.00 <#     5M   44000.0  e   liu908  6438
         QB     93 GLU- QG      5.10  # mm  1    32725.0*4e   liu908  4730
         QB     94 GLU- HN      5.00  # m   2    19920.0*2e   liu908  3321
         QB     96 VAL  HN      7.00  # m w 3     1640.5*2e   liu908  6442
         QG     94 GLU- HN      5.80  # m   5     4002.5*2e   liu908  4779
         QG     96 VAL  HN      7.00  # m w 5      623.0*2e   liu908  7113
 94 GLU- 
         HN     94 GLU- HA      3.80  #     2    28950.0  e   liu908    75
         HN     94 GLU- QB      4.00  # i   2    58350.0*2e   liu908  1003
         HN     94 GLU- QG      3.90  # m   1    41235.0*2e   liu908   999
         HN     95 ILE  HN      3.00  #     2   126300.0  e   liu908  3286
         HN     95 ILE  HA      4.40  #     2    10900.0  e   liu908  3291
         HN     95 ILE  QG2     6.90  #     5M    6210.0  e   liu908  3306
         HN     95 ILE  HG12    4.50  #     5     5379.0  e   liu908  3294
         HN     95 ILE  QD1     7.00  #   w 5M     269.0  e   liu908  4769
         HN     96 VAL  HN      4.40  #     3    13260.0  e   liu908  6444
         HN     96 VAL  QG1     7.00  #   w 5M    1243.0  e   liu908  8458
         HN     96 VAL  QG2     7.00  #   w 5M     870.0  e   liu908  6449
         HA     94 GLU- QB      4.80  # m   2    30055.0*2e   liu908  1005
         HA     94 GLU- QG      3.80  # i   1    42720.0*2e   liu908  1004
         HA     95 ILE  HN      4.00  #     2    21200.0  e   liu908  3285
         HA     96 VAL  HN      4.70  #     3    10010.0  e   liu908  6445
         HA     96 VAL  QG2     7.00  #   w 5M    1485.0  e   liu908  8489
         QB     94 GLU- QG      4.70  # mm  1    74150.0*4e   liu908  1009
         QB     95 ILE  HN      5.60  # m   2     9175.0*2e   liu908  3309
         QB     95 ILE  QG2     7.60  # m   5M    8445.0*2e   liu908  4773
         QG     95 ILE  HN      6.00  # m   5     3011.0*2e   liu908  4771
         QG     95 ILE  QG2     8.00  # m w 5M    2960.5*2e   liu908  4774
 95 ILE  
         HN     95 ILE  HA      3.80  #     2    29790.0  e   liu908    82
         HN     95 ILE  HB      3.80  #     2    26820.0  e   liu908   685
         HN     95 ILE  QG2     4.80  #     1M   27500.0  e   liu908   689
         HN     95 ILE  HG12    3.00 <#     1    37660.0  e   liu908   718
         HN     95 ILE  HG13    3.50 >#     1    14780.0  e   liu908   717
         HN     95 ILE  QD1     6.50  #     1M    4359.0  e   liu908   688
         HN     96 VAL  HN      2.90  #     2   158700.0  e   liu908  3297
         HN     96 VAL  QG1     5.30 <#     5M   30220.0  e   liu908  7107
         HN     96 VAL  QG2     6.60 >#     5M    8649.0  e   liu908  7105
         HA     95 ILE  HB      3.20  #     2    86560.0  e   liu908   690
         HA     95 ILE  QG2     3.80  #     1M  115800.0  e   liu908   693
         HA     95 ILE  HG12    4.40  #     1     3675.0  e   liu908   691
         HA     95 ILE  HG13    4.50  #     1     3347.0  e   liu908  7150
         HA     95 ILE  QD1     5.60  #     1M    9948.0  e   liu908   692
         HA     96 VAL  HN      3.60  #     2    36520.0  e   liu908  3295
         HA     96 VAL  HA      5.30  #     2     3686.0  e   liu908  7099
         HA     96 VAL  QG1     7.00  #   w 5M    2278.0  e   liu908  8461
         HA     96 VAL  QG2     7.00  #   w 5M    1735.0  e   liu908  3302
         HB     95 ILE  QG2     3.70  #     1M  118900.0  e   liu908   712
         HB     95 ILE  HG12    3.10 >#     1    30020.0  e   liu908  4728
         HB     95 ILE  HG13    2.70 <#     1    76460.0  e   liu908   698
         HB     95 ILE  QD1     4.60  #     1M   32290.0  e   liu908   707
         HB     96 VAL  HN      4.10  #     2    17610.0  e   liu908  3296
         HB     96 VAL  HA      4.70  #     2     7713.0  e   liu908  7100
         HB     96 VAL  QG1     6.50  #     5M    8777.0  e   liu908  8462
         HB     96 VAL  QG2     6.50  #     5M    8884.0  e   liu908  7110
         QG2    95 ILE  HG12    4.30  #     1M   49030.0  e   liu908   722
         QG2    95 ILE  HG13    4.80  #     1M   27440.0  e   liu908   713
         QG2    95 ILE  QD1     5.30  # m   1M   53490.0  e   liu908   723
         QG2    96 VAL  HN      6.50  #     5M    9422.0  e   liu908  4767
         QG2    96 VAL  HA      7.00  #   w 5M    2384.0  e   liu908  7103
         QG2    96 VAL  QG1     8.00 <# m w 5M    4363.0  e   liu908  8463
         QG2    96 VAL  QG2     8.00 ># m w 5M    1718.0  e   liu908  7109
         HG12   95 ILE  QD1     3.90  #     1M   99490.0  e   liu908  4729
         HG13   95 ILE  QD1     4.30  #     1M   51580.0  e   liu908   700
         HG13   96 VAL  HN      3.90  #     5    12720.0  e   liu908  4764
         HG13   96 VAL  HA      6.00  #   w 5      554.0  e   liu908  7104
         QD1    96 VAL  HN      7.00  #   w 5M    2387.0  e   liu908  4762
         QD1    96 VAL  QG1     6.60  # m   5M   21980.0  e   liu908  8464
         QD1    96 VAL  QG2     6.80  # m   5M   18610.0  e   liu908  7108
 96 VAL  
         HN     96 VAL  HA      3.50  #     2    44580.0  e   liu908    84
         HN     96 VAL  HB      3.70  #     2    33710.0  e   liu908   724
         HN     96 VAL  QG1     5.10 >#     1M   19140.0  e   liu908   725
         HN     96 VAL  QG2     4.10 <#     1M   70530.0  e   liu908   730
         HA     96 VAL  HB      3.10  #     2    96430.0  e   liu908   731
         HA     96 VAL  QG1     4.40  #     1M   46080.0  e   liu908   732
         HA     96 VAL  QG2     5.10  #     1M   19060.0  e   liu908   733
         HB     96 VAL  QG1     4.10  #     1M   67300.0  e   liu908   747
         HB     96 VAL  QG2     4.00  #     1M   75700.0  e   liu908   748

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1HN       ALA   1  15.284  -5.743   1.318
    2   2H    ALA   1          2HN       ALA   1  15.226  -4.127   1.020
    3   2H    ALA   1          3HN       ALA   1  15.226  -4.127   1.020
    4    HA   ALA   1           HA       ALA   1  16.917  -4.093  -0.434
    5   1HB   ALA   1          3HB       ALA   1  17.589  -6.796   0.655
    6   2HB   ALA   1          1HB       ALA   1  18.403  -5.954  -0.707
    7   3HB   ALA   1          2HB       ALA   1  18.422  -5.230   0.940
    8    H    THR   2           HN       THR   2  14.774  -4.013  -1.443
    9    HA   THR   2           HA       THR   2  13.352  -4.633  -3.117
   10    HB   THR   2           HB       THR   2  15.666  -6.479  -3.881
   11    HG1  THR   2           HG1      THR   2  15.898  -4.035  -3.572
   12   1HG2  THR   2          2HG2      THR   2  13.393  -5.326  -5.552
   13   2HG2  THR   2          3HG2      THR   2  14.879  -6.025  -6.226
   14   3HG2  THR   2          1HG2      THR   2  13.784  -7.046  -5.291
   15    H    TYR   3           HN       TYR   3  11.802  -5.457  -1.705
   16    HA   TYR   3           HA       TYR   3  11.844  -8.379  -1.170
   17   1HB   TYR   3          2HB       TYR   3  10.042  -6.225  -0.044
   18   2HB   TYR   3          3HB       TYR   3  10.174  -7.891   0.511
   19    HD1  TYR   3           HD2      TYR   3  12.745  -8.647   1.074
   20    HD2  TYR   3           HD1      TYR   3  11.287  -4.592   1.058
   21    HE1  TYR   3           HE2      TYR   3  14.395  -8.039   2.820
   22    HE2  TYR   3           HE1      TYR   3  12.830  -4.040   2.883
   23    HH   TYR   3           HOH      TYR   3  13.827  -5.273   4.809
   24    H    ASN   4           HN       ASN   4   9.923  -9.587  -1.196
   25    HA   ASN   4           HA       ASN   4   8.420  -9.383  -3.689
   26   1HB   ASN   4          2HB       ASN   4   9.488 -11.458  -2.796
   27   2HB   ASN   4          3HB       ASN   4   8.432 -11.422  -1.409
   28   1HD2  ASN   4          2HND      ASN   4   5.551 -12.575  -3.106
   29   2HD2  ASN   4          1HND      ASN   4   6.147 -11.512  -1.802
   30    H    VAL   5           HN       VAL   5   6.968  -7.634  -3.368
   31    HA   VAL   5           HA       VAL   5   5.239  -7.684  -0.939
   32    HB   VAL   5           HB       VAL   5   5.378  -5.681  -3.199
   33   1HG1  VAL   5          1HG1      VAL   5   3.740  -5.738  -0.607
   34   2HG1  VAL   5          2HG1      VAL   5   4.032  -4.271  -1.545
   35   3HG1  VAL   5          3HG1      VAL   5   3.149  -5.621  -2.258
   36   1HG2  VAL   5          1HG2      VAL   5   6.576  -5.695  -0.396
   37   2HG2  VAL   5          2HG2      VAL   5   7.418  -5.564  -1.941
   38   3HG2  VAL   5          3HG2      VAL   5   6.383  -4.233  -1.379
   39    H    LYS   6           HN       LYS   6   3.296  -8.824  -1.052
   40    HA   LYS   6           HA       LYS   6   2.058  -9.219  -3.720
   41   1HB   LYS   6          2HB       LYS   6   2.107 -11.087  -2.172
   42   2HB   LYS   6          3HB       LYS   6   1.168 -10.148  -1.011
   43   1HG   LYS   6          2HG       LYS   6  -0.683  -9.875  -2.757
   44   2HG   LYS   6          3HG       LYS   6   0.257 -10.852  -3.854
   45   1HD   LYS   6          2HD       LYS   6  -0.983 -11.772  -1.220
   46   2HD   LYS   6          3HD       LYS   6  -1.434 -12.152  -2.863
   47   1HE   LYS   6          2HE       LYS   6   1.054 -12.955  -3.094
   48   2HE   LYS   6          3HE       LYS   6   1.050 -13.027  -1.335
   49   1HZ   LYS   6          1HNZ      LYS   6  -0.891 -14.334  -3.179
   50   2HZ   LYS   6          2HNZ      LYS   6   0.445 -15.099  -2.592
   51   3HZ   LYS   6          3HNZ      LYS   6  -0.785 -14.632  -1.572
   52    H    LEU   7           HN       LEU   7   0.549  -7.937  -4.504
   53    HA   LEU   7           HA       LEU   7  -1.174  -6.352  -2.640
   54   1HB   LEU   7          2HB       LEU   7  -0.435  -5.984  -5.554
   55   2HB   LEU   7          3HB       LEU   7  -1.545  -4.939  -4.686
   56    HG   LEU   7           HG       LEU   7   1.407  -5.312  -4.051
   57   1HD1  LEU   7          2HD1      LEU   7  -0.053  -3.218  -5.678
   58   2HD1  LEU   7          3HD1      LEU   7   1.577  -2.947  -5.011
   59   3HD1  LEU   7          1HD1      LEU   7   1.293  -4.272  -6.149
   60   1HD2  LEU   7          2HD2      LEU   7  -0.296  -4.447  -2.239
   61   2HD2  LEU   7          3HD2      LEU   7   1.273  -3.659  -2.455
   62   3HD2  LEU   7          1HD2      LEU   7  -0.199  -2.937  -3.131
   63    H    ILE   8           HN       ILE   8  -2.799  -7.668  -2.129
   64    HA   ILE   8           HA       ILE   8  -4.006  -9.443  -4.130
   65    HB   ILE   8           HB       ILE   8  -4.784  -8.609  -1.350
   66   1HG1  ILE   8          2HG1      ILE   8  -3.998 -11.393  -2.127
   67   2HG1  ILE   8          3HG1      ILE   8  -2.747 -10.178  -1.829
   68   1HG2  ILE   8          2HG2      ILE   8  -6.094 -10.640  -3.205
   69   2HG2  ILE   8          3HG2      ILE   8  -6.474 -10.451  -1.481
   70   3HG2  ILE   8          1HG2      ILE   8  -6.834  -9.140  -2.604
   71   1HD1  ILE   8           HD2      ILE   8  -4.903 -10.933   0.167
   72   2HD1  ILE   8           HD3      ILE   8  -3.205 -11.444   0.198
   73   3HD1  ILE   8           HD1      ILE   8  -3.612  -9.727   0.390
   74    H    THR   9           HN       THR   9  -4.441  -8.128  -5.856
   75    HA   THR   9           HA       THR   9  -6.195  -5.824  -5.543
   76    HB   THR   9           HB       THR   9  -6.001  -5.791  -7.981
   77    HG1  THR   9           HG1      THR   9  -5.585  -8.097  -8.277
   78   1HG2  THR   9          3HG2      THR   9  -3.355  -6.089  -6.480
   79   2HG2  THR   9          1HG2      THR   9  -3.489  -5.445  -8.123
   80   3HG2  THR   9          2HG2      THR   9  -4.244  -4.569  -6.784
   81    HA   PRO  10           HA       PRO  10 -10.021  -8.021  -6.325
   82   1HB   PRO  10          2HB       PRO  10 -10.558  -6.126  -8.543
   83   2HB   PRO  10          3HB       PRO  10 -11.563  -6.546  -7.113
   84   1HG   PRO  10          2HG       PRO  10 -10.194  -4.245  -7.348
   85   2HG   PRO  10          3HG       PRO  10 -10.383  -5.024  -5.759
   86   1HD   PRO  10          2HD       PRO  10  -7.992  -4.886  -7.426
   87   2HD   PRO  10          3HD       PRO  10  -8.140  -5.052  -5.720
   88    H    ASP  11           HN       ASP  11  -8.031  -7.094  -9.100
   89    HA   ASP  11           HA       ASP  11  -8.849  -8.727 -11.192
   90   1HB   ASP  11          2HB       ASP  11  -6.168  -7.568 -10.292
   91   2HB   ASP  11          3HB       ASP  11  -6.328  -8.495 -11.769
   92    H    GLY  12           HN       GLY  12  -7.075  -9.469  -8.293
   93   1HA   GLY  12          2HA       GLY  12  -7.066 -11.520  -7.421
   94   2HA   GLY  12          3HA       GLY  12  -6.907 -12.347  -8.992
   95    H    GLU  13           HN       GLU  13  -5.238  -9.926  -7.024
   96    HA   GLU  13           HA       GLU  13  -3.221  -9.728  -6.086
   97   1HB   GLU  13          2HB       GLU  13  -2.813 -12.542  -7.010
   98   2HB   GLU  13          3HB       GLU  13  -1.697 -11.634  -5.986
   99   1HG   GLU  13          2HG       GLU  13  -3.143 -11.563  -4.189
  100   2HG   GLU  13          3HG       GLU  13  -4.576 -12.028  -5.130
  101    H    VAL  14           HN       VAL  14  -1.324  -8.846  -6.522
  102    HA   VAL  14           HA       VAL  14   0.147  -9.567  -8.982
  103    HB   VAL  14           HB       VAL  14   0.596  -7.253  -9.590
  104   1HG1  VAL  14          3HG1      VAL  14  -1.305  -8.534 -10.627
  105   2HG1  VAL  14          1HG1      VAL  14  -2.393  -7.750  -9.449
  106   3HG1  VAL  14          2HG1      VAL  14  -1.528  -6.775 -10.646
  107   1HG2  VAL  14          3HG2      VAL  14  -1.447  -6.577  -7.450
  108   2HG2  VAL  14          1HG2      VAL  14   0.198  -5.930  -7.616
  109   3HG2  VAL  14          2HG2      VAL  14  -1.046  -5.483  -8.775
  110    H    GLU  15           HN       GLU  15   1.432 -10.755  -7.571
  111    HA   GLU  15           HA       GLU  15   3.030  -9.465  -5.536
  112   1HB   GLU  15          2HB       GLU  15   2.859 -12.171  -6.787
  113   2HB   GLU  15          3HB       GLU  15   4.512 -11.663  -6.419
  114   1HG   GLU  15          2HG       GLU  15   3.949 -11.210  -4.112
  115   2HG   GLU  15          3HG       GLU  15   2.233 -11.485  -4.455
  116    H    PHE  16           HN       PHE  16   4.808  -8.331  -5.692
  117    HA   PHE  16           HA       PHE  16   6.365  -8.223  -8.191
  118   1HB   PHE  16          2HB       PHE  16   5.903  -6.178  -8.857
  119   2HB   PHE  16          3HB       PHE  16   4.317  -6.776  -8.443
  120    HD1  PHE  16           HD2      PHE  16   3.560  -6.125  -5.936
  121    HD2  PHE  16           HD1      PHE  16   6.847  -4.260  -8.020
  122    HE1  PHE  16           HE2      PHE  16   3.564  -4.281  -4.333
  123    HE2  PHE  16           HE1      PHE  16   6.794  -2.418  -6.497
  124    HZ   PHE  16           HZ       PHE  16   5.056  -2.284  -4.689
  125    H    LYS  17           HN       LYS  17   8.163  -6.524  -8.027
  126    HA   LYS  17           HA       LYS  17   9.354  -6.976  -5.332
  127   1HB   LYS  17          2HB       LYS  17  10.468  -7.184  -8.028
  128   2HB   LYS  17          3HB       LYS  17  11.391  -6.118  -6.989
  129   1HG   LYS  17          2HG       LYS  17  12.283  -8.370  -6.684
  130   2HG   LYS  17          3HG       LYS  17  11.555  -7.725  -5.217
  131   1HD   LYS  17          2HD       LYS  17  10.672  -9.812  -5.116
  132   2HD   LYS  17          3HD       LYS  17   9.395  -8.994  -5.981
  133   1HE   LYS  17          2HE       LYS  17  11.594 -10.727  -7.207
  134   2HE   LYS  17          3HE       LYS  17   9.896 -11.178  -7.001
  135   1HZ   LYS  17          2HNZ      LYS  17   9.317  -9.368  -8.518
  136   2HZ   LYS  17          3HNZ      LYS  17  10.902  -9.019  -8.737
  137   3HZ   LYS  17          1HNZ      LYS  17  10.310 -10.466  -9.238
  138    H    CYS  18           HN       CYS  18   9.497  -5.437  -3.986
  139    HA   CYS  18           HA       CYS  18   9.523  -2.601  -4.981
  140   1HB   CYS  18          2HB       CYS  18   7.324  -3.498  -4.015
  141   2HB   CYS  18          3HB       CYS  18   8.191  -3.471  -2.477
  142    HG   CYS  18           HSG      CYS  18   7.880  -1.057  -4.741
  143    H    ASP  19           HN       ASP  19  11.354  -1.611  -4.510
  144    HA   ASP  19           HA       ASP  19  13.242  -2.518  -2.651
  145   1HB   ASP  19          2HB       ASP  19  13.046   0.335  -3.608
  146   2HB   ASP  19          3HB       ASP  19  14.481  -0.617  -3.215
  147    H    ASP  20           HN       ASP  20  13.797  -1.832  -0.704
  148    HA   ASP  20           HA       ASP  20  11.918  -0.950   1.220
  149   1HB   ASP  20          2HB       ASP  20  14.337  -0.675   2.512
  150   2HB   ASP  20          3HB       ASP  20  13.506  -2.166   2.236
  151    H    ASP  21           HN       ASP  21  13.947   0.733  -0.957
  152    HA   ASP  21           HA       ASP  21  13.457   3.358   0.369
  153   1HB   ASP  21          2HB       ASP  21  15.564   2.321  -1.582
  154   2HB   ASP  21          3HB       ASP  21  15.326   4.027  -1.248
  155    H    VAL  22           HN       VAL  22  11.518   1.676  -1.519
  156    HA   VAL  22           HA       VAL  22  10.889   4.105  -3.095
  157    HB   VAL  22           HB       VAL  22  12.084   2.241  -4.483
  158   1HG1  VAL  22          3HG1      VAL  22  10.514   0.399  -3.624
  159   2HG1  VAL  22          1HG1      VAL  22   9.239   1.140  -4.594
  160   3HG1  VAL  22          2HG1      VAL  22  10.699   0.507  -5.372
  161   1HG2  VAL  22          1HG2      VAL  22  10.980   4.245  -5.425
  162   2HG2  VAL  22          2HG2      VAL  22  10.801   2.804  -6.444
  163   3HG2  VAL  22          3HG2      VAL  22   9.436   3.357  -5.460
  164    H    TYR  23           HN       TYR  23   8.653   4.242  -3.749
  165    HA   TYR  23           HA       TYR  23   6.974   3.389  -1.571
  166   1HB   TYR  23          2HB       TYR  23   6.338   4.959  -4.081
  167   2HB   TYR  23          3HB       TYR  23   5.221   4.676  -2.756
  168    HD1  TYR  23           HD1      TYR  23   6.548   5.186  -0.299
  169    HD2  TYR  23           HD2      TYR  23   7.110   7.195  -4.077
  170    HE1  TYR  23           HE1      TYR  23   6.869   7.316   0.883
  171    HE2  TYR  23           HE2      TYR  23   7.660   9.289  -2.855
  172    HH   TYR  23           HOH      TYR  23   7.180   9.606   0.661
  173    H    VAL  24           HN       VAL  24   5.270   1.940  -1.611
  174    HA   VAL  24           HA       VAL  24   5.183  -0.107  -3.657
  175    HB   VAL  24           HB       VAL  24   3.008   0.383  -1.632
  176   1HG1  VAL  24          3HG1      VAL  24   2.870  -1.511  -3.388
  177   2HG1  VAL  24          1HG1      VAL  24   4.317  -2.186  -2.590
  178   3HG1  VAL  24          2HG1      VAL  24   2.798  -2.032  -1.689
  179   1HG2  VAL  24          2HG2      VAL  24   5.778  -0.720  -1.140
  180   2HG2  VAL  24          3HG2      VAL  24   4.829   0.430  -0.166
  181   3HG2  VAL  24          1HG2      VAL  24   4.387  -1.264  -0.168
  182    H    LEU  25           HN       LEU  25   4.970   1.771  -5.247
  183    HA   LEU  25           HA       LEU  25   2.410   1.695  -6.585
  184   1HB   LEU  25          2HB       LEU  25   1.610   3.357  -5.140
  185   2HB   LEU  25          3HB       LEU  25   3.195   4.133  -4.974
  186    HG   LEU  25           HG       LEU  25   2.986   4.983  -7.341
  187   1HD1  LEU  25          2HD1      LEU  25   0.146   3.908  -7.101
  188   2HD1  LEU  25          3HD1      LEU  25   0.768   4.931  -8.407
  189   3HD1  LEU  25          1HD1      LEU  25   1.382   3.281  -8.211
  190   1HD2  LEU  25          3HD2      LEU  25   2.367   6.323  -5.340
  191   2HD2  LEU  25          1HD2      LEU  25   1.460   6.738  -6.803
  192   3HD2  LEU  25          2HD2      LEU  25   0.689   5.762  -5.529
  193    H    ASP  26           HN       ASP  26   5.217   3.818  -6.093
  194    HA   ASP  26           HA       ASP  26   5.655   4.566  -8.760
  195   1HB   ASP  26          2HB       ASP  26   7.149   4.713  -6.210
  196   2HB   ASP  26          3HB       ASP  26   8.234   4.416  -7.558
  197    H    GLN  27           HN       GLN  27   7.351   1.867  -7.043
  198    HA   GLN  27           HA       GLN  27   8.435   0.821  -9.474
  199   1HB   GLN  27          2HB       GLN  27   9.322   0.795  -7.087
  200   2HB   GLN  27          3HB       GLN  27   8.131  -0.464  -6.734
  201   1HG   GLN  27          2HG       GLN  27  10.184  -1.534  -7.126
  202   2HG   GLN  27          3HG       GLN  27   9.228  -1.828  -8.582
  203   1HE2  GLN  27          2HNE      GLN  27  12.729   0.318  -8.758
  204   2HE2  GLN  27          1HNE      GLN  27  12.150  -0.389  -7.253
  205    H    ALA  28           HN       ALA  28   5.263   0.603  -8.203
  206    HA   ALA  28           HA       ALA  28   4.697  -2.209  -8.974
  207   1HB   ALA  28          3HB       ALA  28   3.619  -0.662  -7.064
  208   2HB   ALA  28          1HB       ALA  28   2.590  -0.150  -8.428
  209   3HB   ALA  28          2HB       ALA  28   2.680  -1.861  -7.942
  210    H    GLU  29           HN       GLU  29   3.876   1.134 -10.032
  211    HA   GLU  29           HA       GLU  29   2.533   0.433 -12.383
  212   1HB   GLU  29          2HB       GLU  29   4.249   2.872 -11.738
  213   2HB   GLU  29          3HB       GLU  29   3.241   2.718 -13.189
  214   1HG   GLU  29          2HG       GLU  29   1.226   2.393 -11.794
  215   2HG   GLU  29          3HG       GLU  29   2.201   2.559 -10.327
  216    H    GLU  30           HN       GLU  30   6.063   0.828 -11.809
  217    HA   GLU  30           HA       GLU  30   7.000   0.306 -14.390
  218   1HB   GLU  30          2HB       GLU  30   8.184  -0.572 -11.750
  219   2HB   GLU  30          3HB       GLU  30   9.032  -0.628 -13.291
  220   1HG   GLU  30          2HG       GLU  30   7.862   2.006 -12.310
  221   2HG   GLU  30          3HG       GLU  30   9.418   1.409 -11.735
  222    H    GLU  31           HN       GLU  31   5.723  -2.127 -12.124
  223    HA   GLU  31           HA       GLU  31   6.479  -4.300 -13.972
  224   1HB   GLU  31          2HB       GLU  31   4.680  -4.456 -11.543
  225   2HB   GLU  31          3HB       GLU  31   5.543  -5.767 -12.354
  226   1HG   GLU  31          2HG       GLU  31   7.431  -3.695 -11.619
  227   2HG   GLU  31          3HG       GLU  31   6.401  -3.959 -10.267
  228    H    GLY  32           HN       GLY  32   3.893  -2.149 -13.345
  229   1HA   GLY  32          2HA       GLY  32   2.406  -1.695 -15.251
  230   2HA   GLY  32          3HA       GLY  32   2.109  -3.430 -15.402
  231    H    ILE  33           HN       ILE  33   2.374  -2.277 -12.116
  232    HA   ILE  33           HA       ILE  33  -0.320  -3.211 -11.696
  233    HB   ILE  33           HB       ILE  33   1.724  -2.041  -9.840
  234   1HG1  ILE  33          2HG1      ILE  33   0.876  -4.857 -10.555
  235   2HG1  ILE  33          3HG1      ILE  33   2.402  -4.067 -11.031
  236   1HG2  ILE  33          3HG2      ILE  33  -0.975  -3.332  -9.310
  237   2HG2  ILE  33          1HG2      ILE  33   0.280  -3.195  -8.062
  238   3HG2  ILE  33          2HG2      ILE  33  -0.411  -1.747  -8.761
  239   1HD1  ILE  33           HD1      ILE  33   1.855  -4.663  -8.158
  240   2HD1  ILE  33           HD2      ILE  33   2.704  -5.697  -9.299
  241   3HD1  ILE  33           HD3      ILE  33   3.332  -4.075  -8.929
  242    H    ASP  34           HN       ASP  34  -1.998  -2.055 -12.230
  243    HA   ASP  34           HA       ASP  34  -2.180   0.844 -11.935
  244   1HB   ASP  34          2HB       ASP  34  -3.252  -0.488 -13.771
  245   2HB   ASP  34          3HB       ASP  34  -4.317  -1.225 -12.544
  246    H    ILE  35           HN       ILE  35  -1.605   0.681  -9.493
  247    HA   ILE  35           HA       ILE  35  -3.649  -0.367  -7.809
  248    HB   ILE  35           HB       ILE  35  -1.102   0.625  -7.476
  249   1HG1  ILE  35          2HG1      ILE  35  -2.649  -0.274  -5.124
  250   2HG1  ILE  35          3HG1      ILE  35  -2.080  -1.302  -6.460
  251   1HG2  ILE  35          3HG2      ILE  35  -1.965   2.920  -7.096
  252   2HG2  ILE  35          1HG2      ILE  35  -2.775   2.337  -5.629
  253   3HG2  ILE  35          2HG2      ILE  35  -1.018   2.288  -5.756
  254   1HD1  ILE  35           HD3      ILE  35  -0.255   0.488  -4.791
  255   2HD1  ILE  35           HD1      ILE  35  -0.517  -1.226  -4.529
  256   3HD1  ILE  35           HD2      ILE  35   0.226  -0.675  -6.041
  257    HA   PRO  36           HA       PRO  36  -6.550   3.011  -7.931
  258   1HB   PRO  36          2HB       PRO  36  -7.805   2.852  -5.512
  259   2HB   PRO  36          3HB       PRO  36  -7.929   1.599  -6.773
  260   1HG   PRO  36          2HG       PRO  36  -6.280   1.490  -4.261
  261   2HG   PRO  36          3HG       PRO  36  -7.143   0.223  -5.146
  262   1HD   PRO  36          2HD       PRO  36  -4.402   0.860  -5.323
  263   2HD   PRO  36          3HD       PRO  36  -5.246  -0.245  -6.397
  264    H    TYR  37           HN       TYR  37  -4.525   4.294  -8.035
  265    HA   TYR  37           HA       TYR  37  -3.901   6.045  -5.717
  266   1HB   TYR  37          2HB       TYR  37  -1.916   5.459  -6.704
  267   2HB   TYR  37          3HB       TYR  37  -2.628   5.175  -8.282
  268    HD1  TYR  37           HD1      TYR  37  -3.219   7.084  -9.816
  269    HD2  TYR  37           HD2      TYR  37  -0.766   7.552  -6.302
  270    HE1  TYR  37           HE1      TYR  37  -2.338   9.223 -10.708
  271    HE2  TYR  37           HE2      TYR  37   0.323   9.510  -7.343
  272    HH   TYR  37           HOH      TYR  37   0.240  11.047  -9.027
  273    H    SER  38           HN       SER  38  -4.262   8.286  -5.819
  274    HA   SER  38           HA       SER  38  -5.701   9.365  -8.214
  275   1HB   SER  38          2HB       SER  38  -6.292  10.099  -5.328
  276   2HB   SER  38          3HB       SER  38  -7.069  10.740  -6.777
  277    HG   SER  38           HOG      SER  38  -7.837   8.657  -5.439
  278    H    CYS  39           HN       CYS  39  -3.079   9.786  -5.890
  279    HA   CYS  39           HA       CYS  39  -2.001  12.082  -7.173
  280   1HB   CYS  39          2HB       CYS  39  -2.699  13.731  -5.902
  281   2HB   CYS  39          3HB       CYS  39  -4.023  12.722  -5.349
  282    H    ARG  40           HN       ARG  40  -0.087  12.812  -5.626
  283    HA   ARG  40           HA       ARG  40   0.642  10.786  -3.670
  284   1HB   ARG  40          2HB       ARG  40   1.769   9.970  -5.708
  285   2HB   ARG  40          3HB       ARG  40   2.681  11.477  -5.827
  286   1HG   ARG  40          2HG       ARG  40   2.806  10.259  -3.143
  287   2HG   ARG  40          3HG       ARG  40   3.291   9.097  -4.350
  288   1HD   ARG  40          2HD       ARG  40   4.459  11.892  -4.413
  289   2HD   ARG  40          3HD       ARG  40   5.028  10.722  -3.211
  290    HE   ARG  40           HNE      ARG  40   5.087   9.304  -5.605
  291   1HH1  ARG  40          2HN2      ARG  40   6.563  12.250  -4.438
  292   2HH1  ARG  40          1HN2      ARG  40   8.108  11.996  -5.195
  293   1HH2  ARG  40          2HN1      ARG  40   7.174   8.760  -6.478
  294   2HH2  ARG  40          1HN1      ARG  40   8.402   9.984  -6.507
  295    H    ALA  41           HN       ALA  41  -0.089  12.490  -2.382
  296    HA   ALA  41           HA       ALA  41   1.998  14.552  -1.789
  297   1HB   ALA  41          1HB       ALA  41   0.099  15.642  -2.932
  298   2HB   ALA  41          2HB       ALA  41  -1.020  14.980  -1.720
  299   3HB   ALA  41          3HB       ALA  41   0.227  16.148  -1.235
  300    H    GLY  42           HN       GLY  42  -0.865  12.797  -0.503
  301   1HA   GLY  42          2HA       GLY  42  -0.790  11.385   1.368
  302   2HA   GLY  42          3HA       GLY  42   0.646  12.189   1.984
  303    H    SER  43           HN       SER  43  -2.625  13.420   0.979
  304    HA   SER  43           HA       SER  43  -3.394  13.957   3.725
  305   1HB   SER  43          2HB       SER  43  -1.907  15.924   3.174
  306   2HB   SER  43          3HB       SER  43  -3.061  16.356   1.891
  307    HG   SER  43           HOG      SER  43  -3.589  17.445   3.803
  308    H    CYS  44           HN       CYS  44  -4.722  12.280   2.718
  309    HA   CYS  44           HA       CYS  44  -6.794  13.254   0.806
  310   1HB   CYS  44          2HB       CYS  44  -4.871  10.931   0.689
  311   2HB   CYS  44          3HB       CYS  44  -6.391  10.894  -0.223
  312    H    SER  45           HN       SER  45  -8.337  11.214   0.528
  313    HA   SER  45           HA       SER  45  -8.941   9.901   3.089
  314   1HB   SER  45          2HB       SER  45 -11.057  11.612   1.721
  315   2HB   SER  45          3HB       SER  45 -11.249  10.615   3.174
  316    HG   SER  45           HOG      SER  45  -9.188  12.121   3.691
  317    H    SER  46           HN       SER  46  -7.771   8.745   1.061
  318    HA   SER  46           HA       SER  46  -9.660   6.879  -0.032
  319   1HB   SER  46          2HB       SER  46  -9.847   8.819  -1.657
  320   2HB   SER  46          3HB       SER  46  -8.095   8.713  -1.922
  321    HG   SER  46           HOG      SER  46 -10.140   6.907  -2.683
  322    H    CYS  47           HN       CYS  47  -7.713   6.187  -2.105
  323    HA   CYS  47           HA       CYS  47  -5.942   4.741  -2.329
  324   1HB   CYS  47          2HB       CYS  47  -3.921   5.974  -2.207
  325   2HB   CYS  47          3HB       CYS  47  -5.242   6.932  -2.857
  326    H    ALA  48           HN       ALA  48  -6.691   3.126  -0.677
  327    HA   ALA  48           HA       ALA  48  -4.425   2.705   1.174
  328   1HB   ALA  48          2HB       ALA  48  -7.331   2.706   2.059
  329   2HB   ALA  48          3HB       ALA  48  -5.955   2.184   3.058
  330   3HB   ALA  48          1HB       ALA  48  -6.085   3.877   2.534
  331    H    GLY  49           HN       GLY  49  -4.430   0.621   2.182
  332   1HA   GLY  49          2HA       GLY  49  -5.823  -1.523   0.755
  333   2HA   GLY  49          3HA       GLY  49  -4.054  -1.566   0.794
  334    H    LYS  50           HN       LYS  50  -5.551  -3.606   1.985
  335    HA   LYS  50           HA       LYS  50  -5.415  -3.156   4.855
  336   1HB   LYS  50          2HB       LYS  50  -7.296  -4.223   3.441
  337   2HB   LYS  50          3HB       LYS  50  -6.319  -5.691   3.474
  338   1HG   LYS  50          2HG       LYS  50  -6.481  -5.870   5.865
  339   2HG   LYS  50          3HG       LYS  50  -6.998  -4.176   6.012
  340   1HD   LYS  50          2HD       LYS  50  -8.982  -4.760   4.550
  341   2HD   LYS  50          3HD       LYS  50  -8.614  -6.467   4.858
  342   1HE   LYS  50          2HE       LYS  50  -8.926  -6.194   7.252
  343   2HE   LYS  50          3HE       LYS  50  -8.903  -4.456   7.153
  344   1HZ   LYS  50          3HNZ      LYS  50 -11.056  -5.944   5.813
  345   2HZ   LYS  50          1HNZ      LYS  50 -11.164  -5.327   7.349
  346   3HZ   LYS  50          2HNZ      LYS  50 -10.933  -4.329   6.074
  347    H    VAL  51           HN       VAL  51  -3.485  -3.622   5.829
  348    HA   VAL  51           HA       VAL  51  -1.364  -5.214   4.669
  349    HB   VAL  51           HB       VAL  51  -1.911  -4.320   7.553
  350   1HG1  VAL  51          1HG1      VAL  51   0.667  -5.339   6.286
  351   2HG1  VAL  51          2HG1      VAL  51   0.504  -4.660   7.922
  352   3HG1  VAL  51          3HG1      VAL  51  -0.304  -6.175   7.520
  353   1HG2  VAL  51          3HG2      VAL  51  -0.159  -3.021   5.429
  354   2HG2  VAL  51          1HG2      VAL  51  -1.692  -2.384   6.071
  355   3HG2  VAL  51          2HG2      VAL  51  -0.285  -2.500   7.124
  356    H    VAL  52           HN       VAL  52  -1.536  -7.386   4.419
  357    HA   VAL  52           HA       VAL  52  -3.302  -8.986   6.195
  358    HB   VAL  52           HB       VAL  52  -1.652  -9.646   3.760
  359   1HG1  VAL  52          3HG1      VAL  52  -3.620 -11.402   5.292
  360   2HG1  VAL  52          1HG1      VAL  52  -2.890 -11.810   3.726
  361   3HG1  VAL  52          2HG1      VAL  52  -1.868 -11.671   5.156
  362   1HG2  VAL  52          3HG2      VAL  52  -4.643  -9.239   4.141
  363   2HG2  VAL  52          1HG2      VAL  52  -3.531  -8.271   3.148
  364   3HG2  VAL  52          2HG2      VAL  52  -3.913  -9.934   2.684
  365    H    SER  53           HN       SER  53   0.191  -8.682   5.240
  366    HA   SER  53           HA       SER  53   1.022  -9.548   7.869
  367   1HB   SER  53          2HB       SER  53   0.413 -11.746   6.759
  368   2HB   SER  53          3HB       SER  53   1.684 -11.431   5.563
  369    HG   SER  53           HOG      SER  53   2.405 -12.697   7.381
  370    H    GLY  54           HN       GLY  54   3.488  -9.986   7.745
  371   1HA   GLY  54          2HA       GLY  54   5.598  -9.024   7.395
  372   2HA   GLY  54          3HA       GLY  54   5.020  -8.248   5.936
  373    H    SER  55           HN       SER  55   6.444  -6.484   7.047
  374    HA   SER  55           HA       SER  55   4.611  -4.633   8.423
  375   1HB   SER  55          2HB       SER  55   7.517  -4.816   9.260
  376   2HB   SER  55          3HB       SER  55   6.173  -3.992  10.059
  377    HG   SER  55           HOG      SER  55   6.469  -6.809   9.805
  378    H    ILE  56           HN       ILE  56   5.141  -2.434   7.901
  379    HA   ILE  56           HA       ILE  56   7.177  -1.837   5.909
  380    HB   ILE  56           HB       ILE  56   5.495  -0.879   4.395
  381   1HG1  ILE  56          2HG1      ILE  56   3.393  -2.228   6.113
  382   2HG1  ILE  56          3HG1      ILE  56   3.651  -0.483   6.012
  383   1HG2  ILE  56          1HG2      ILE  56   6.323  -3.365   4.277
  384   2HG2  ILE  56          2HG2      ILE  56   4.712  -3.763   4.841
  385   3HG2  ILE  56          3HG2      ILE  56   4.936  -2.895   3.294
  386   1HD1  ILE  56           HD3      ILE  56   2.851  -2.241   3.646
  387   2HD1  ILE  56           HD1      ILE  56   1.771  -1.278   4.644
  388   3HD1  ILE  56           HD2      ILE  56   3.028  -0.474   3.671
  389    H    ASP  57           HN       ASP  57   7.118   0.589   5.532
  390    HA   ASP  57           HA       ASP  57   6.220   2.015   8.010
  391   1HB   ASP  57          2HB       ASP  57   8.656   1.751   8.004
  392   2HB   ASP  57          3HB       ASP  57   8.745   2.365   6.340
  393    H    GLN  58           HN       GLN  58   4.508   3.220   7.430
  394    HA   GLN  58           HA       GLN  58   4.674   4.851   4.927
  395   1HB   GLN  58          2HB       GLN  58   2.163   5.021   5.278
  396   2HB   GLN  58          3HB       GLN  58   2.753   3.423   4.814
  397   1HG   GLN  58          2HG       GLN  58   2.521   2.597   7.025
  398   2HG   GLN  58          3HG       GLN  58   2.396   4.226   7.708
  399   1HE2  GLN  58          2HNE      GLN  58  -0.934   2.602   7.719
  400   2HE2  GLN  58          1HNE      GLN  58   0.656   2.265   8.363
  401    H    SER  59           HN       SER  59   6.113   5.481   7.585
  402    HA   SER  59           HA       SER  59   4.481   7.519   8.814
  403   1HB   SER  59          2HB       SER  59   6.338   7.978  10.190
  404   2HB   SER  59          3HB       SER  59   6.291   6.218   9.969
  405    HG   SER  59           HOG      SER  59   7.909   7.946   8.412
  406    H    ASP  60           HN       ASP  60   3.973   8.380   6.636
  407    HA   ASP  60           HA       ASP  60   5.670  10.698   5.846
  408   1HB   ASP  60          2HB       ASP  60   6.523   8.615   4.718
  409   2HB   ASP  60          3HB       ASP  60   4.947   8.421   3.947
  410    H    GLN  61           HN       GLN  61   2.637   8.802   5.309
  411    HA   GLN  61           HA       GLN  61   1.307  10.884   3.881
  412   1HB   GLN  61          2HB       GLN  61  -0.378   9.398   3.710
  413   2HB   GLN  61          3HB       GLN  61   0.950   8.269   4.018
  414   1HG   GLN  61          2HG       GLN  61  -1.306   9.103   5.863
  415   2HG   GLN  61          3HG       GLN  61  -0.960   7.527   5.182
  416   1HE2  GLN  61          2HNE      GLN  61   0.062   6.944   8.542
  417   2HE2  GLN  61          1HNE      GLN  61  -1.367   6.945   7.527
  418    H    SER  62           HN       SER  62  -0.911  11.652   4.765
  419    HA   SER  62           HA       SER  62  -1.126  11.699   7.706
  420   1HB   SER  62          2HB       SER  62  -0.041  13.866   6.749
  421   2HB   SER  62          3HB       SER  62  -1.645  14.229   6.100
  422    HG   SER  62           HOG      SER  62  -0.918  13.733   8.816
  423    H    PHE  63           HN       PHE  63  -2.659  10.019   7.302
  424    HA   PHE  63           HA       PHE  63  -5.285  11.056   6.950
  425   1HB   PHE  63          2HB       PHE  63  -5.068  10.793   4.609
  426   2HB   PHE  63          3HB       PHE  63  -4.288   9.216   4.775
  427    HD1  PHE  63           HD2      PHE  63  -7.403  10.139   6.688
  428    HD2  PHE  63           HD1      PHE  63  -5.804   8.174   3.174
  429    HE1  PHE  63           HE2      PHE  63  -9.356   8.668   6.614
  430    HE2  PHE  63           HE1      PHE  63  -7.826   6.792   3.064
  431    HZ   PHE  63           HZ       PHE  63  -9.606   7.004   4.774
  432    H    LEU  64           HN       LEU  64  -3.915   7.665   6.562
  433    HA   LEU  64           HA       LEU  64  -6.061   6.637   7.873
  434   1HB   LEU  64          2HB       LEU  64  -3.273   5.475   7.637
  435   2HB   LEU  64          3HB       LEU  64  -4.508   4.682   8.576
  436    HG   LEU  64           HG       LEU  64  -6.059   4.749   6.564
  437   1HD1  LEU  64          1HD1      LEU  64  -3.414   5.391   5.196
  438   2HD1  LEU  64          2HD1      LEU  64  -4.858   4.782   4.361
  439   3HD1  LEU  64          3HD1      LEU  64  -4.904   6.365   5.150
  440   1HD2  LEU  64          2HD2      LEU  64  -3.482   3.155   6.567
  441   2HD2  LEU  64          3HD2      LEU  64  -4.987   2.780   7.439
  442   3HD2  LEU  64          1HD2      LEU  64  -4.957   2.723   5.659
  443    H    ASP  65           HN       ASP  65  -6.707   6.154   9.899
  444    HA   ASP  65           HA       ASP  65  -5.333   7.570  12.053
  445   1HB   ASP  65          2HB       ASP  65  -7.774   5.776  12.240
  446   2HB   ASP  65          3HB       ASP  65  -7.258   7.000  13.410
  447    H    ASP  66           HN       ASP  66  -5.069   6.452  14.206
  448    HA   ASP  66           HA       ASP  66  -3.221   4.296  14.124
  449   1HB   ASP  66          2HB       ASP  66  -5.042   5.320  16.361
  450   2HB   ASP  66          3HB       ASP  66  -3.784   4.097  16.574
  451    H    GLU  67           HN       GLU  67  -6.728   4.476  14.673
  452    HA   GLU  67           HA       GLU  67  -7.296   1.840  15.279
  453   1HB   GLU  67          2HB       GLU  67  -9.219   3.289  13.434
  454   2HB   GLU  67          3HB       GLU  67  -9.497   2.387  14.917
  455   1HG   GLU  67          2HG       GLU  67  -8.345   4.382  16.090
  456   2HG   GLU  67          3HG       GLU  67  -8.590   5.235  14.548
  457    H    GLN  68           HN       GLN  68  -7.572   3.333  12.012
  458    HA   GLN  68           HA       GLN  68  -7.963   1.017  10.576
  459   1HB   GLN  68          2HB       GLN  68  -6.565   3.570   9.762
  460   2HB   GLN  68          3HB       GLN  68  -7.166   2.349   8.629
  461   1HG   GLN  68          2HG       GLN  68  -9.422   2.598   9.295
  462   2HG   GLN  68          3HG       GLN  68  -8.998   3.644  10.654
  463   1HE2  GLN  68          2HNE      GLN  68 -10.147   5.742   7.826
  464   2HE2  GLN  68          1HNE      GLN  68 -10.857   4.347   8.603
  465    H    MET  69           HN       MET  69  -4.731   2.603  11.256
  466    HA   MET  69           HA       MET  69  -3.163   0.689   9.928
  467   1HB   MET  69          2HB       MET  69  -2.558   2.254  12.455
  468   2HB   MET  69          3HB       MET  69  -1.396   1.310  11.517
  469   1HG   MET  69          2HG       MET  69  -1.974   2.745   9.490
  470   2HG   MET  69          3HG       MET  69  -2.976   3.683  10.550
  471   1HE   MET  69           HE2      MET  69  -1.658   5.736   9.589
  472   2HE   MET  69           HE3      MET  69  -2.114   5.912  11.303
  473   3HE   MET  69           HE1      MET  69  -0.510   6.447  10.760
  474    H    ASP  70           HN       ASP  70  -4.095   0.652  13.400
  475    HA   ASP  70           HA       ASP  70  -2.884  -1.810  14.087
  476   1HB   ASP  70          2HB       ASP  70  -3.760  -0.061  15.684
  477   2HB   ASP  70          3HB       ASP  70  -5.402  -0.527  15.246
  478    H    ALA  71           HN       ALA  71  -6.066  -0.998  12.893
  479    HA   ALA  71           HA       ALA  71  -7.357  -3.535  13.095
  480   1HB   ALA  71          3HB       ALA  71  -7.834  -1.148  11.282
  481   2HB   ALA  71          1HB       ALA  71  -8.981  -2.492  11.493
  482   3HB   ALA  71          2HB       ALA  71  -8.584  -1.429  12.863
  483    H    GLY  72           HN       GLY  72  -5.004  -2.307  10.812
  484   1HA   GLY  72          2HA       GLY  72  -3.766  -4.091   9.719
  485   2HA   GLY  72          3HA       GLY  72  -5.264  -4.836   9.224
  486    H    TYR  73           HN       TYR  73  -4.702  -1.265   9.060
  487    HA   TYR  73           HA       TYR  73  -4.797  -1.563   6.082
  488   1HB   TYR  73          2HB       TYR  73  -5.965   0.586   7.810
  489   2HB   TYR  73          3HB       TYR  73  -5.913   0.584   6.053
  490    HD1  TYR  73           HD2      TYR  73  -6.986  -1.281   4.735
  491    HD2  TYR  73           HD1      TYR  73  -7.787  -0.616   8.915
  492    HE1  TYR  73           HE2      TYR  73  -9.162  -2.379   4.496
  493    HE2  TYR  73           HE1      TYR  73  -9.996  -1.655   8.662
  494    HH   TYR  73           HOH      TYR  73 -11.669  -1.908   6.392
  495    H    VAL  74           HN       VAL  74  -3.865   0.136   4.787
  496    HA   VAL  74           HA       VAL  74  -1.774   1.806   5.969
  497    HB   VAL  74           HB       VAL  74  -0.719  -0.403   5.642
  498   1HG1  VAL  74          1HG1      VAL  74  -2.060  -1.282   3.790
  499   2HG1  VAL  74          2HG1      VAL  74  -1.345  -0.088   2.681
  500   3HG1  VAL  74          3HG1      VAL  74  -0.335  -1.335   3.429
  501   1HG2  VAL  74          3HG2      VAL  74   0.232   2.075   4.368
  502   2HG2  VAL  74          1HG2      VAL  74   1.059   0.923   5.416
  503   3HG2  VAL  74          2HG2      VAL  74   0.932   0.633   3.666
  504    H    LEU  75           HN       LEU  75  -1.232   3.567   4.546
  505    HA   LEU  75           HA       LEU  75  -3.093   4.221   2.436
  506   1HB   LEU  75          2HB       LEU  75  -1.524   5.745   3.924
  507   2HB   LEU  75          3HB       LEU  75  -0.305   5.359   2.720
  508    HG   LEU  75           HG       LEU  75  -2.443   6.107   1.114
  509   1HD1  LEU  75          2HD1      LEU  75  -3.800   6.773   3.080
  510   2HD1  LEU  75          3HD1      LEU  75  -2.539   7.948   3.533
  511   3HD1  LEU  75          1HD1      LEU  75  -3.431   8.134   2.013
  512   1HD2  LEU  75          1HD2      LEU  75  -0.223   7.814   2.206
  513   2HD2  LEU  75          2HD2      LEU  75  -0.281   6.816   0.765
  514   3HD2  LEU  75          3HD2      LEU  75  -1.297   8.265   0.857
  515    H    THR  76           HN       THR  76  -2.506   4.242   0.066
  516    HA   THR  76           HA       THR  76  -0.348   2.238  -0.598
  517    HB   THR  76           HB       THR  76  -2.673   1.448  -0.895
  518    HG1  THR  76           HG1      THR  76  -0.931   1.692  -3.098
  519   1HG2  THR  76          2HG2      THR  76  -3.556   3.662  -1.817
  520   2HG2  THR  76          3HG2      THR  76  -2.763   3.282  -3.334
  521   3HG2  THR  76          1HG2      THR  76  -4.035   2.208  -2.709
  522    H    CYS  77           HN       CYS  77  -0.317   5.317  -0.512
  523    HA   CYS  77           HA       CYS  77   0.923   5.734  -3.206
  524   1HB   CYS  77          2HB       CYS  77  -0.240   7.660  -1.202
  525   2HB   CYS  77          3HB       CYS  77   0.712   8.158  -2.592
  526    H    HIS  78           HN       HIS  78   1.368   6.301   0.284
  527    HA   HIS  78           HA       HIS  78   4.296   6.630  -0.083
  528   1HB   HIS  78          2HB       HIS  78   2.593   7.814   2.135
  529   2HB   HIS  78          3HB       HIS  78   4.303   8.085   1.794
  530    HD1  HIS  78           HND      HIS  78   0.850   8.801   0.191
  531    HD2  HIS  78           HD       HIS  78   4.842  10.148   0.211
  532    HE1  HIS  78           HE       HIS  78   0.907  10.903  -1.186
  533    H    ALA  79           HN       ALA  79   4.676   4.341   0.177
  534    HA   ALA  79           HA       ALA  79   4.713   3.514   2.988
  535   1HB   ALA  79          1HB       ALA  79   3.231   1.930   0.839
  536   2HB   ALA  79          2HB       ALA  79   3.712   1.286   2.425
  537   3HB   ALA  79          3HB       ALA  79   2.538   2.614   2.323
  538    H    TYR  80           HN       TYR  80   6.641   2.539   3.344
  539    HA   TYR  80           HA       TYR  80   8.310   1.665   1.034
  540   1HB   TYR  80          2HB       TYR  80   8.970   2.594   3.854
  541   2HB   TYR  80          3HB       TYR  80  10.131   1.897   2.737
  542    HD1  TYR  80           HD1      TYR  80  10.528   3.017   0.484
  543    HD2  TYR  80           HD2      TYR  80   8.398   4.937   3.698
  544    HE1  TYR  80           HE1      TYR  80  10.863   5.219  -0.609
  545    HE2  TYR  80           HE2      TYR  80   8.772   7.138   2.634
  546    HH   TYR  80           HOH      TYR  80   9.557   8.248   0.762
  547    HA   PRO  81           HA       PRO  81   7.428  -2.337   2.848
  548   1HB   PRO  81          2HB       PRO  81   8.851  -3.860   0.963
  549   2HB   PRO  81          3HB       PRO  81   7.154  -3.325   0.848
  550   1HG   PRO  81          2HG       PRO  81   9.511  -2.285  -0.634
  551   2HG   PRO  81          3HG       PRO  81   7.759  -2.078  -0.921
  552   1HD   PRO  81          2HD       PRO  81   9.500  -0.157   0.195
  553   2HD   PRO  81          3HD       PRO  81   7.741  -0.082  -0.059
  554    H    THR  82           HN       THR  82   8.554  -2.923   4.771
  555    HA   THR  82           HA       THR  82  11.504  -2.650   4.721
  556    HB   THR  82           HB       THR  82  11.287  -2.989   7.164
  557    HG1  THR  82           HG1      THR  82   8.838  -3.764   6.680
  558   1HG2  THR  82          1HG2      THR  82  11.442  -0.754   6.091
  559   2HG2  THR  82          2HG2      THR  82   9.673  -0.700   5.950
  560   3HG2  THR  82          3HG2      THR  82  10.430  -0.717   7.553
  561    H    SER  83           HN       SER  83   9.228  -5.119   4.154
  562    HA   SER  83           HA       SER  83  11.261  -7.082   3.931
  563   1HB   SER  83          2HB       SER  83   9.048  -7.558   5.990
  564   2HB   SER  83          3HB       SER  83  10.239  -8.763   5.473
  565    HG   SER  83           HOG      SER  83  11.611  -6.653   6.263
  566    H    ASP  84           HN       ASP  84   9.843  -9.301   3.450
  567    HA   ASP  84           HA       ASP  84   8.079  -8.913   1.226
  568   1HB   ASP  84          2HB       ASP  84   7.558 -11.298   1.718
  569   2HB   ASP  84          3HB       ASP  84   9.270 -10.954   1.445
  570    H    VAL  85           HN       VAL  85   6.172  -7.935   1.480
  571    HA   VAL  85           HA       VAL  85   4.511  -8.354   3.913
  572    HB   VAL  85           HB       VAL  85   5.337  -6.090   4.021
  573   1HG1  VAL  85          2HG1      VAL  85   4.981  -6.141   1.097
  574   2HG1  VAL  85          3HG1      VAL  85   4.565  -4.607   1.852
  575   3HG1  VAL  85          1HG1      VAL  85   6.175  -5.305   2.097
  576   1HG2  VAL  85          2HG2      VAL  85   2.444  -6.188   3.082
  577   2HG2  VAL  85          3HG2      VAL  85   3.109  -6.044   4.726
  578   3HG2  VAL  85          1HG2      VAL  85   3.204  -4.709   3.603
  579    H    VAL  86           HN       VAL  86   2.365  -8.574   3.639
  580    HA   VAL  86           HA       VAL  86   1.386  -8.984   0.853
  581    HB   VAL  86           HB       VAL  86   0.506 -10.470   3.369
  582   1HG1  VAL  86          3HG1      VAL  86  -0.282 -10.706   0.448
  583   2HG1  VAL  86          1HG1      VAL  86  -0.824 -11.820   1.715
  584   3HG1  VAL  86          2HG1      VAL  86  -1.333 -10.121   1.709
  585   1HG2  VAL  86          1HG2      VAL  86   2.146 -11.406   0.957
  586   2HG2  VAL  86          2HG2      VAL  86   2.707 -11.323   2.638
  587   3HG2  VAL  86          3HG2      VAL  86   1.457 -12.488   2.184
  588    H    ILE  87           HN       ILE  87  -0.086  -7.432   0.396
  589    HA   ILE  87           HA       ILE  87  -1.865  -6.507   2.526
  590    HB   ILE  87           HB       ILE  87  -0.303  -4.833   2.575
  591   1HG1  ILE  87          2HG1      ILE  87  -2.681  -3.968   1.902
  592   2HG1  ILE  87          3HG1      ILE  87  -1.309  -2.866   1.953
  593   1HG2  ILE  87          3HG2      ILE  87   0.207  -5.059  -0.312
  594   2HG2  ILE  87          1HG2      ILE  87   0.739  -3.679   0.682
  595   3HG2  ILE  87          2HG2      ILE  87   1.312  -5.316   1.043
  596   1HD1  ILE  87           HD3      ILE  87  -1.977  -4.324  -0.586
  597   2HD1  ILE  87           HD1      ILE  87  -2.751  -2.797  -0.184
  598   3HD1  ILE  87           HD2      ILE  87  -1.002  -2.862  -0.354
  599    H    GLU  88           HN       GLU  88  -3.896  -5.737   1.678
  600    HA   GLU  88           HA       GLU  88  -4.527  -6.615  -1.116
  601   1HB   GLU  88          2HB       GLU  88  -6.413  -5.717   1.035
  602   2HB   GLU  88          3HB       GLU  88  -6.831  -6.562  -0.474
  603   1HG   GLU  88          2HG       GLU  88  -5.936  -8.629   0.505
  604   2HG   GLU  88          3HG       GLU  88  -5.404  -7.729   1.940
  605    H    THR  89           HN       THR  89  -5.003  -5.025  -2.631
  606    HA   THR  89           HA       THR  89  -4.817  -2.176  -1.668
  607    HB   THR  89           HB       THR  89  -4.423  -1.530  -4.018
  608    HG1  THR  89           HG1      THR  89  -4.901  -4.269  -4.563
  609   1HG2  THR  89          2HG2      THR  89  -2.750  -3.893  -3.129
  610   2HG2  THR  89          3HG2      THR  89  -2.377  -2.757  -4.440
  611   3HG2  THR  89          1HG2      THR  89  -2.496  -2.175  -2.770
  612    H    HIS  90           HN       HIS  90  -6.425  -0.681  -3.017
  613    HA   HIS  90           HA       HIS  90  -8.540  -0.020  -3.542
  614   1HB   HIS  90          2HB       HIS  90  -9.276  -2.958  -3.911
  615   2HB   HIS  90          3HB       HIS  90 -10.170  -1.551  -4.453
  616    HD1  HIS  90           HND      HIS  90  -6.392  -2.285  -5.094
  617    HD2  HIS  90           HD       HIS  90 -10.061  -1.643  -7.047
  618    HE1  HIS  90           HE       HIS  90  -5.858  -2.217  -7.526
  619    H    LYS  91           HN       LYS  91  -7.918   0.117  -0.968
  620    HA   LYS  91           HA       LYS  91 -10.420  -0.745   0.443
  621   1HB   LYS  91          2HB       LYS  91  -7.632  -0.512   1.608
  622   2HB   LYS  91          3HB       LYS  91  -9.058  -1.146   2.406
  623   1HG   LYS  91          2HG       LYS  91  -7.788  -2.408  -0.073
  624   2HG   LYS  91          3HG       LYS  91  -7.555  -2.950   1.580
  625   1HD   LYS  91          2HD       LYS  91  -9.737  -3.443   1.938
  626   2HD   LYS  91          3HD       LYS  91 -10.305  -2.823   0.392
  627   1HE   LYS  91          2HE       LYS  91  -9.598  -4.583  -0.864
  628   2HE   LYS  91          3HE       LYS  91  -8.193  -4.850   0.149
  629   1HZ   LYS  91          2HNZ      LYS  91  -9.682  -5.754   1.857
  630   2HZ   LYS  91          3HNZ      LYS  91 -10.958  -5.612   0.862
  631   3HZ   LYS  91          1HNZ      LYS  91  -9.652  -6.671   0.547
  632    H    GLU  92           HN       GLU  92 -10.174   1.690  -0.936
  633    HA   GLU  92           HA       GLU  92  -9.930   3.805   1.074
  634   1HB   GLU  92          2HB       GLU  92  -9.672   4.703  -0.975
  635   2HB   GLU  92          3HB       GLU  92 -10.655   3.529  -1.790
  636   1HG   GLU  92          2HG       GLU  92 -12.328   5.313  -0.110
  637   2HG   GLU  92          3HG       GLU  92 -11.371   6.169  -1.301
  638    H    GLU  93           HN       GLU  93 -12.912   2.653  -0.636
  639    HA   GLU  93           HA       GLU  93 -14.454   3.043   1.724
  640   1HB   GLU  93          2HB       GLU  93 -14.963   1.987  -1.044
  641   2HB   GLU  93          3HB       GLU  93 -16.130   1.517   0.183
  642   1HG   GLU  93          2HG       GLU  93 -16.478   3.887   0.804
  643   2HG   GLU  93          3HG       GLU  93 -15.381   4.370  -0.507
  644    H    GLU  94           HN       GLU  94 -12.269   1.208   2.381
  645    HA   GLU  94           HA       GLU  94 -14.063  -0.597   3.897
  646   1HB   GLU  94          2HB       GLU  94 -11.267  -1.324   2.914
  647   2HB   GLU  94          3HB       GLU  94 -12.115  -2.103   4.242
  648   1HG   GLU  94          2HG       GLU  94 -13.976  -2.697   2.618
  649   2HG   GLU  94          3HG       GLU  94 -12.843  -2.258   1.337
  650    H    ILE  95           HN       ILE  95 -12.047   2.166   3.994
  651    HA   ILE  95           HA       ILE  95 -11.327   1.543   6.804
  652    HB   ILE  95           HB       ILE  95  -9.483   3.041   6.641
  653   1HG1  ILE  95          2HG1      ILE  95 -10.062   3.243   3.675
  654   2HG1  ILE  95          3HG1      ILE  95 -10.393   4.531   4.851
  655   1HG2  ILE  95          3HG2      ILE  95  -9.288   0.686   6.253
  656   2HG2  ILE  95          1HG2      ILE  95  -9.454   0.864   4.505
  657   3HG2  ILE  95          2HG2      ILE  95  -8.045   1.541   5.349
  658   1HD1  ILE  95           HD2      ILE  95  -7.618   3.417   4.421
  659   2HD1  ILE  95           HD3      ILE  95  -8.331   4.743   3.502
  660   3HD1  ILE  95           HD1      ILE  95  -8.115   4.893   5.272
  661    H    VAL  96           HN       VAL  96 -12.803   3.897   4.637
  662    HA   VAL  96           HA       VAL  96 -13.361   5.705   6.898
  663    HB   VAL  96           HB       VAL  96 -14.431   7.122   5.270
  664   1HG1  VAL  96          2HG1      VAL  96 -11.917   7.180   5.587
  665   2HG1  VAL  96          3HG1      VAL  96 -11.773   6.203   4.108
  666   3HG1  VAL  96          1HG1      VAL  96 -12.483   7.819   4.035
  667   1HG2  VAL  96          2HG2      VAL  96 -15.390   5.445   3.727
  668   2HG2  VAL  96          3HG2      VAL  96 -14.413   6.638   2.857
  669   3HG2  VAL  96          1HG2      VAL  96 -13.763   5.019   3.160
   
  No H/Q in entry =         668
  Start of MODEL    2
    1   1H    ALA   1          1HN       ALA   1  17.419  -2.821  -0.034
    2   2H    ALA   1          2HN       ALA   1  16.405  -3.058  -1.223
    3   2H    ALA   1          3HN       ALA   1  16.405  -3.058  -1.223
    4    HA   ALA   1           HA       ALA   1  18.081  -5.263  -0.643
    5   1HB   ALA   1          1HB       ALA   1  17.677  -4.291   1.598
    6   2HB   ALA   1          2HB       ALA   1  15.930  -4.480   1.326
    7   3HB   ALA   1          3HB       ALA   1  16.977  -5.909   1.395
    8    H    THR   2           HN       THR   2  14.708  -4.067  -1.078
    9    HA   THR   2           HA       THR   2  13.360  -4.555  -2.800
   10    HB   THR   2           HB       THR   2  15.455  -6.446  -3.836
   11    HG1  THR   2           HG1      THR   2  15.341  -3.701  -4.415
   12   1HG2  THR   2          2HG2      THR   2  13.301  -6.487  -5.044
   13   2HG2  THR   2          3HG2      THR   2  13.373  -4.723  -5.241
   14   3HG2  THR   2          1HG2      THR   2  14.586  -5.757  -6.024
   15    H    TYR   3           HN       TYR   3  11.674  -5.395  -1.660
   16    HA   TYR   3           HA       TYR   3  11.853  -8.270  -0.877
   17   1HB   TYR   3          2HB       TYR   3  10.086  -6.053   0.176
   18   2HB   TYR   3          3HB       TYR   3  10.193  -7.689   0.798
   19    HD1  TYR   3           HD1      TYR   3  12.939  -8.361   1.176
   20    HD2  TYR   3           HD2      TYR   3  11.108  -4.475   1.553
   21    HE1  TYR   3           HE1      TYR   3  14.819  -7.602   2.599
   22    HE2  TYR   3           HE2      TYR   3  12.887  -3.802   3.128
   23    HH   TYR   3           HOH      TYR   3  14.948  -4.305   3.971
   24    H    ASN   4           HN       ASN   4  10.007  -9.568  -0.898
   25    HA   ASN   4           HA       ASN   4   8.398  -9.596  -3.256
   26   1HB   ASN   4          2HB       ASN   4   9.266 -11.645  -2.288
   27   2HB   ASN   4          3HB       ASN   4   8.672 -11.208  -0.683
   28   1HD2  ASN   4          2HND      ASN   4   5.606 -12.136  -3.248
   29   2HD2  ASN   4          1HND      ASN   4   6.619 -10.695  -3.490
   30    H    VAL   5           HN       VAL   5   6.889  -7.973  -3.313
   31    HA   VAL   5           HA       VAL   5   5.117  -7.632  -0.932
   32    HB   VAL   5           HB       VAL   5   5.511  -5.761  -3.270
   33   1HG1  VAL   5          1HG1      VAL   5   3.844  -5.658  -0.707
   34   2HG1  VAL   5          2HG1      VAL   5   4.203  -4.236  -1.693
   35   3HG1  VAL   5          3HG1      VAL   5   3.257  -5.569  -2.369
   36   1HG2  VAL   5          1HG2      VAL   5   6.614  -5.853  -0.445
   37   2HG2  VAL   5          2HG2      VAL   5   7.499  -5.701  -1.967
   38   3HG2  VAL   5          3HG2      VAL   5   6.515  -4.345  -1.374
   39    H    LYS   6           HN       LYS   6   3.260  -8.849  -1.087
   40    HA   LYS   6           HA       LYS   6   2.051  -9.288  -3.757
   41   1HB   LYS   6          2HB       LYS   6   2.068 -11.117  -2.160
   42   2HB   LYS   6          3HB       LYS   6   1.151 -10.143  -1.017
   43   1HG   LYS   6          2HG       LYS   6  -0.728  -9.913  -2.672
   44   2HG   LYS   6          3HG       LYS   6   0.210 -10.816  -3.849
   45   1HD   LYS   6          2HD       LYS   6  -0.972 -11.886  -1.239
   46   2HD   LYS   6          3HD       LYS   6  -1.452 -12.202  -2.887
   47   1HE   LYS   6          2HE       LYS   6   1.026 -12.928  -3.231
   48   2HE   LYS   6          3HE       LYS   6   1.100 -13.088  -1.479
   49   1HZ   LYS   6          3HNZ      LYS   6  -0.857 -14.369  -3.323
   50   2HZ   LYS   6          1HNZ      LYS   6   0.527 -15.102  -2.811
   51   3HZ   LYS   6          2HNZ      LYS   6  -0.691 -14.740  -1.733
   52    H    LEU   7           HN       LEU   7   0.578  -8.027  -4.626
   53    HA   LEU   7           HA       LEU   7  -1.158  -6.331  -2.871
   54   1HB   LEU   7          2HB       LEU   7  -0.496  -6.189  -5.832
   55   2HB   LEU   7          3HB       LEU   7  -1.504  -5.055  -4.971
   56    HG   LEU   7           HG       LEU   7   1.484  -5.508  -4.644
   57   1HD1  LEU   7          2HD1      LEU   7  -0.187  -3.295  -5.847
   58   2HD1  LEU   7          3HD1      LEU   7   1.555  -3.126  -5.504
   59   3HD1  LEU   7          1HD1      LEU   7   0.990  -4.390  -6.612
   60   1HD2  LEU   7          1HD2      LEU   7  -0.377  -3.755  -3.010
   61   2HD2  LEU   7          2HD2      LEU   7   0.873  -4.917  -2.492
   62   3HD2  LEU   7          3HD2      LEU   7   1.347  -3.381  -3.202
   63    H    ILE   8           HN       ILE   8  -2.836  -7.561  -2.248
   64    HA   ILE   8           HA       ILE   8  -4.133  -9.337  -4.223
   65    HB   ILE   8           HB       ILE   8  -4.740  -8.540  -1.377
   66   1HG1  ILE   8          2HG1      ILE   8  -4.054 -11.287  -2.358
   67   2HG1  ILE   8          3HG1      ILE   8  -2.811 -10.101  -1.906
   68   1HG2  ILE   8          2HG2      ILE   8  -6.269 -10.420  -3.227
   69   2HG2  ILE   8          3HG2      ILE   8  -6.548 -10.288  -1.480
   70   3HG2  ILE   8          1HG2      ILE   8  -6.886  -8.912  -2.524
   71   1HD1  ILE   8           HD1      ILE   8  -4.997 -11.045  -0.027
   72   2HD1  ILE   8           HD2      ILE   8  -3.313 -11.594  -0.044
   73   3HD1  ILE   8           HD3      ILE   8  -3.679  -9.898   0.321
   74    H    THR   9           HN       THR   9  -4.723  -8.147  -5.895
   75    HA   THR   9           HA       THR   9  -6.364  -5.738  -5.578
   76    HB   THR   9           HB       THR   9  -6.303  -5.812  -8.015
   77    HG1  THR   9           HG1      THR   9  -4.739  -7.783  -8.620
   78   1HG2  THR   9          3HG2      THR   9  -4.289  -4.895  -6.838
   79   2HG2  THR   9          1HG2      THR   9  -3.534  -6.499  -6.924
   80   3HG2  THR   9          2HG2      THR   9  -3.891  -5.600  -8.411
   81    HA   PRO  10           HA       PRO  10 -10.172  -8.037  -6.345
   82   1HB   PRO  10          2HB       PRO  10 -11.240  -6.139  -8.171
   83   2HB   PRO  10          3HB       PRO  10 -11.697  -6.414  -6.463
   84   1HG   PRO  10          2HG       PRO  10 -10.304  -4.290  -7.678
   85   2HG   PRO  10          3HG       PRO  10 -10.496  -4.490  -5.913
   86   1HD   PRO  10          2HD       PRO  10  -8.159  -4.858  -7.542
   87   2HD   PRO  10          3HD       PRO  10  -8.315  -4.863  -5.807
   88    H    ASP  11           HN       ASP  11  -8.099  -6.833  -8.936
   89    HA   ASP  11           HA       ASP  11  -9.077  -8.276 -11.162
   90   1HB   ASP  11          2HB       ASP  11  -6.507  -6.941 -10.380
   91   2HB   ASP  11          3HB       ASP  11  -6.380  -8.239 -11.565
   92    H    GLY  12           HN       GLY  12  -6.763  -9.108  -8.613
   93   1HA   GLY  12          2HA       GLY  12  -7.344 -11.331  -7.644
   94   2HA   GLY  12          3HA       GLY  12  -7.123 -12.035  -9.257
   95    H    GLU  13           HN       GLU  13  -5.415  -9.952  -6.946
   96    HA   GLU  13           HA       GLU  13  -3.345  -9.898  -6.082
   97   1HB   GLU  13          2HB       GLU  13  -3.325 -12.789  -7.017
   98   2HB   GLU  13          3HB       GLU  13  -1.935 -11.985  -6.292
   99   1HG   GLU  13          2HG       GLU  13  -3.009 -11.522  -4.312
  100   2HG   GLU  13          3HG       GLU  13  -4.625 -11.977  -4.919
  101    H    VAL  14           HN       VAL  14  -1.384  -9.195  -6.478
  102    HA   VAL  14           HA       VAL  14   0.054 -10.114  -8.813
  103    HB   VAL  14           HB       VAL  14  -1.183  -8.340  -9.791
  104   1HG1  VAL  14          3HG1      VAL  14  -1.534  -6.895  -7.792
  105   2HG1  VAL  14          1HG1      VAL  14   0.112  -6.278  -8.018
  106   3HG1  VAL  14          2HG1      VAL  14  -1.106  -6.056  -9.284
  107   1HG2  VAL  14          1HG2      VAL  14   1.145  -8.841 -10.518
  108   2HG2  VAL  14          2HG2      VAL  14   0.598  -7.204 -10.894
  109   3HG2  VAL  14          3HG2      VAL  14   1.705  -7.478  -9.523
  110    H    GLU  15           HN       GLU  15   1.650 -10.950  -7.658
  111    HA   GLU  15           HA       GLU  15   3.013  -9.437  -5.591
  112   1HB   GLU  15          2HB       GLU  15   3.530 -12.125  -6.931
  113   2HB   GLU  15          3HB       GLU  15   4.734 -11.356  -5.877
  114   1HG   GLU  15          2HG       GLU  15   3.169 -11.177  -4.067
  115   2HG   GLU  15          3HG       GLU  15   1.868 -11.907  -5.054
  116    H    PHE  16           HN       PHE  16   4.866  -8.386  -5.699
  117    HA   PHE  16           HA       PHE  16   6.435  -8.278  -8.166
  118   1HB   PHE  16          2HB       PHE  16   6.130  -6.185  -8.792
  119   2HB   PHE  16          3HB       PHE  16   4.495  -6.714  -8.487
  120    HD1  PHE  16           HD1      PHE  16   3.597  -6.127  -6.023
  121    HD2  PHE  16           HD2      PHE  16   7.095  -4.324  -7.793
  122    HE1  PHE  16           HE1      PHE  16   3.518  -4.310  -4.393
  123    HE2  PHE  16           HE2      PHE  16   7.014  -2.554  -6.190
  124    HZ   PHE  16           HZ       PHE  16   5.121  -2.366  -4.571
  125    H    LYS  17           HN       LYS  17   8.319  -6.647  -7.845
  126    HA   LYS  17           HA       LYS  17   9.341  -7.158  -5.085
  127   1HB   LYS  17          2HB       LYS  17  10.561  -7.519  -7.710
  128   2HB   LYS  17          3HB       LYS  17  11.464  -6.349  -6.753
  129   1HG   LYS  17          2HG       LYS  17  12.375  -8.529  -6.263
  130   2HG   LYS  17          3HG       LYS  17  11.532  -7.897  -4.845
  131   1HD   LYS  17          2HD       LYS  17  10.678 -10.004  -4.805
  132   2HD   LYS  17          3HD       LYS  17   9.460  -9.182  -5.776
  133   1HE   LYS  17          2HE       LYS  17   9.831 -11.211  -6.910
  134   2HE   LYS  17          3HE       LYS  17  10.658  -9.979  -7.871
  135   1HZ   LYS  17          2HNZ      LYS  17  11.916 -11.822  -5.933
  136   2HZ   LYS  17          3HNZ      LYS  17  12.002 -11.938  -7.571
  137   3HZ   LYS  17          1HNZ      LYS  17  12.722 -10.677  -6.799
  138    H    CYS  18           HN       CYS  18   9.480  -5.498  -3.788
  139    HA   CYS  18           HA       CYS  18   9.402  -2.744  -4.998
  140   1HB   CYS  18          2HB       CYS  18   7.359  -3.441  -3.783
  141   2HB   CYS  18          3HB       CYS  18   8.367  -3.465  -2.336
  142    HG   CYS  18           HSG      CYS  18   9.287  -0.983  -2.623
  143    H    ASP  19           HN       ASP  19  11.266  -1.663  -4.738
  144    HA   ASP  19           HA       ASP  19  13.277  -2.472  -2.867
  145   1HB   ASP  19          2HB       ASP  19  13.047   0.262  -4.130
  146   2HB   ASP  19          3HB       ASP  19  14.437  -0.487  -3.317
  147    H    ASP  20           HN       ASP  20  13.912  -1.524  -1.107
  148    HA   ASP  20           HA       ASP  20  11.931  -0.827   0.853
  149   1HB   ASP  20          2HB       ASP  20  14.120  -0.925   2.342
  150   2HB   ASP  20          3HB       ASP  20  13.382  -2.336   1.624
  151    H    ASP  21           HN       ASP  21  13.840   0.947  -1.259
  152    HA   ASP  21           HA       ASP  21  13.489   3.488   0.271
  153   1HB   ASP  21          2HB       ASP  21  15.515   2.690  -1.870
  154   2HB   ASP  21          3HB       ASP  21  15.323   4.319  -1.218
  155    H    VAL  22           HN       VAL  22  11.551   1.870  -1.643
  156    HA   VAL  22           HA       VAL  22  10.914   4.246  -3.286
  157    HB   VAL  22           HB       VAL  22  12.188   2.371  -4.608
  158   1HG1  VAL  22          1HG1      VAL  22  10.697   0.514  -3.739
  159   2HG1  VAL  22          2HG1      VAL  22   9.400   1.160  -4.742
  160   3HG1  VAL  22          3HG1      VAL  22  10.915   0.585  -5.477
  161   1HG2  VAL  22          3HG2      VAL  22  11.040   4.311  -5.631
  162   2HG2  VAL  22          1HG2      VAL  22  10.841   2.831  -6.596
  163   3HG2  VAL  22          2HG2      VAL  22   9.509   3.404  -5.573
  164    H    TYR  23           HN       TYR  23   8.654   4.490  -3.718
  165    HA   TYR  23           HA       TYR  23   7.077   3.458  -1.576
  166   1HB   TYR  23          2HB       TYR  23   6.268   4.934  -4.096
  167   2HB   TYR  23          3HB       TYR  23   5.155   4.533  -2.797
  168    HD1  TYR  23           HD1      TYR  23   6.299   5.184  -0.319
  169    HD2  TYR  23           HD2      TYR  23   6.799   7.250  -4.071
  170    HE1  TYR  23           HE1      TYR  23   6.578   7.291   0.884
  171    HE2  TYR  23           HE2      TYR  23   7.145   9.369  -2.846
  172    HH   TYR  23           HOH      TYR  23   7.258   9.511   0.716
  173    H    VAL  24           HN       VAL  24   5.453   1.901  -1.596
  174    HA   VAL  24           HA       VAL  24   5.640  -0.319  -3.298
  175    HB   VAL  24           HB       VAL  24   3.057   0.540  -1.947
  176   1HG1  VAL  24          3HG1      VAL  24   2.968  -1.429  -3.537
  177   2HG1  VAL  24          1HG1      VAL  24   4.260  -2.183  -2.563
  178   3HG1  VAL  24          2HG1      VAL  24   2.668  -1.879  -1.846
  179   1HG2  VAL  24          3HG2      VAL  24   5.520  -0.882  -0.829
  180   2HG2  VAL  24          1HG2      VAL  24   4.707   0.553  -0.180
  181   3HG2  VAL  24          2HG2      VAL  24   3.913  -1.004  -0.083
  182    H    LEU  25           HN       LEU  25   3.371   2.449  -3.639
  183    HA   LEU  25           HA       LEU  25   2.218   1.651  -6.081
  184   1HB   LEU  25          2HB       LEU  25   1.079   3.280  -5.059
  185   2HB   LEU  25          3HB       LEU  25   2.498   4.265  -4.660
  186    HG   LEU  25           HG       LEU  25   2.052   4.078  -7.594
  187   1HD1  LEU  25          3HD1      LEU  25  -0.156   5.254  -5.909
  188   2HD1  LEU  25          1HD1      LEU  25   0.108   5.484  -7.666
  189   3HD1  LEU  25          2HD1      LEU  25  -0.255   3.882  -7.042
  190   1HD2  LEU  25          1HD2      LEU  25   3.517   5.740  -6.441
  191   2HD2  LEU  25          2HD2      LEU  25   2.266   6.504  -7.425
  192   3HD2  LEU  25          3HD2      LEU  25   2.088   6.436  -5.655
  193    H    ASP  26           HN       ASP  26   5.048   3.962  -5.741
  194    HA   ASP  26           HA       ASP  26   5.462   4.512  -8.347
  195   1HB   ASP  26          2HB       ASP  26   7.412   3.990  -6.074
  196   2HB   ASP  26          3HB       ASP  26   7.979   4.457  -7.677
  197    H    GLN  27           HN       GLN  27   7.178   1.773  -6.717
  198    HA   GLN  27           HA       GLN  27   8.177   0.866  -9.204
  199   1HB   GLN  27          2HB       GLN  27   9.293   0.690  -7.084
  200   2HB   GLN  27          3HB       GLN  27   8.150  -0.536  -6.507
  201   1HG   GLN  27          2HG       GLN  27   8.955  -2.130  -8.042
  202   2HG   GLN  27          3HG       GLN  27   9.587  -0.898  -9.145
  203   1HE2  GLN  27          2HNE      GLN  27  12.699  -0.469  -7.397
  204   2HE2  GLN  27          1HNE      GLN  27  11.625   0.232  -8.625
  205    H    ALA  28           HN       ALA  28   5.290  -0.071  -7.293
  206    HA   ALA  28           HA       ALA  28   4.502  -2.365  -8.766
  207   1HB   ALA  28          3HB       ALA  28   2.916  -0.091  -7.527
  208   2HB   ALA  28          1HB       ALA  28   2.170  -1.512  -8.162
  209   3HB   ALA  28          2HB       ALA  28   3.288  -1.677  -6.807
  210    H    GLU  29           HN       GLU  29   3.684   1.096  -9.432
  211    HA   GLU  29           HA       GLU  29   2.381   0.573 -11.872
  212   1HB   GLU  29          2HB       GLU  29   3.882   3.060 -10.918
  213   2HB   GLU  29          3HB       GLU  29   2.974   2.976 -12.436
  214   1HG   GLU  29          2HG       GLU  29   0.916   2.364 -11.188
  215   2HG   GLU  29          3HG       GLU  29   1.798   2.537  -9.664
  216    H    GLU  30           HN       GLU  30   5.888   1.234 -11.174
  217    HA   GLU  30           HA       GLU  30   6.808   1.011 -13.828
  218   1HB   GLU  30          2HB       GLU  30   8.311   0.158 -11.360
  219   2HB   GLU  30          3HB       GLU  30   8.972   0.424 -12.964
  220   1HG   GLU  30          2HG       GLU  30   7.473   2.801 -12.259
  221   2HG   GLU  30          3HG       GLU  30   8.540   2.394 -10.917
  222    H    GLU  31           HN       GLU  31   5.984  -1.679 -11.673
  223    HA   GLU  31           HA       GLU  31   6.975  -3.624 -13.619
  224   1HB   GLU  31          2HB       GLU  31   4.988  -4.037 -11.363
  225   2HB   GLU  31          3HB       GLU  31   5.949  -5.272 -12.196
  226   1HG   GLU  31          2HG       GLU  31   7.682  -3.133 -11.277
  227   2HG   GLU  31          3HG       GLU  31   6.641  -3.582  -9.978
  228    H    GLY  32           HN       GLY  32   4.106  -1.827 -13.087
  229   1HA   GLY  32          2HA       GLY  32   2.748  -1.345 -15.097
  230   2HA   GLY  32          3HA       GLY  32   2.729  -3.073 -15.469
  231    H    ILE  33           HN       ILE  33   2.533  -2.357 -12.068
  232    HA   ILE  33           HA       ILE  33  -0.116  -3.516 -11.964
  233    HB   ILE  33           HB       ILE  33   1.644  -2.175  -9.969
  234   1HG1  ILE  33          2HG1      ILE  33   1.078  -5.087 -10.471
  235   2HG1  ILE  33          3HG1      ILE  33   2.534  -4.244 -11.021
  236   1HG2  ILE  33          2HG2      ILE  33  -0.904  -3.782  -9.491
  237   2HG2  ILE  33          3HG2      ILE  33   0.219  -3.265  -8.223
  238   3HG2  ILE  33          1HG2      ILE  33  -0.667  -2.064  -9.118
  239   1HD1  ILE  33           HD3      ILE  33   2.550  -3.714  -8.285
  240   2HD1  ILE  33           HD1      ILE  33   2.133  -5.428  -8.424
  241   3HD1  ILE  33           HD2      ILE  33   3.582  -4.792  -9.216
  242    H    ASP  34           HN       ASP  34  -1.941  -2.488 -12.249
  243    HA   ASP  34           HA       ASP  34  -2.195   0.455 -12.016
  244   1HB   ASP  34          2HB       ASP  34  -3.149  -0.951 -13.860
  245   2HB   ASP  34          3HB       ASP  34  -4.314  -1.602 -12.662
  246    H    ILE  35           HN       ILE  35  -1.658   0.453  -9.654
  247    HA   ILE  35           HA       ILE  35  -3.676  -0.690  -7.920
  248    HB   ILE  35           HB       ILE  35  -1.090   0.284  -7.628
  249   1HG1  ILE  35          2HG1      ILE  35  -2.870  -0.763  -5.503
  250   2HG1  ILE  35          3HG1      ILE  35  -1.833  -1.632  -6.652
  251   1HG2  ILE  35          2HG2      ILE  35  -2.061   2.589  -7.209
  252   2HG2  ILE  35          3HG2      ILE  35  -2.594   1.942  -5.639
  253   3HG2  ILE  35          1HG2      ILE  35  -0.889   1.946  -6.063
  254   1HD1  ILE  35           HD3      ILE  35   0.160  -0.454  -5.674
  255   2HD1  ILE  35           HD1      ILE  35  -0.914   0.310  -4.476
  256   3HD1  ILE  35           HD2      ILE  35  -0.695  -1.439  -4.473
  257    HA   PRO  36           HA       PRO  36  -6.494   2.771  -8.241
  258   1HB   PRO  36          2HB       PRO  36  -7.312   3.084  -5.574
  259   2HB   PRO  36          3HB       PRO  36  -7.995   1.924  -6.745
  260   1HG   PRO  36          2HG       PRO  36  -6.277   1.329  -4.420
  261   2HG   PRO  36          3HG       PRO  36  -7.252   0.263  -5.454
  262   1HD   PRO  36          2HD       PRO  36  -4.397   0.785  -5.531
  263   2HD   PRO  36          3HD       PRO  36  -5.246  -0.431  -6.447
  264    H    TYR  37           HN       TYR  37  -6.057   5.004  -8.262
  265    HA   TYR  37           HA       TYR  37  -4.339   6.310  -6.337
  266   1HB   TYR  37          2HB       TYR  37  -2.632   4.967  -7.410
  267   2HB   TYR  37          3HB       TYR  37  -3.299   5.276  -9.011
  268    HD1  TYR  37           HD2      TYR  37  -1.768   7.004  -6.049
  269    HD2  TYR  37           HD1      TYR  37  -2.526   7.136 -10.294
  270    HE1  TYR  37           HE2      TYR  37  -0.359   8.986  -6.242
  271    HE2  TYR  37           HE1      TYR  37  -1.293   9.284 -10.432
  272    HH   TYR  37           HOH      TYR  37  -0.581  10.989  -7.577
  273    H    SER  38           HN       SER  38  -4.049   8.551  -6.952
  274    HA   SER  38           HA       SER  38  -4.925   9.611  -9.439
  275   1HB   SER  38          2HB       SER  38  -6.881  10.964  -8.519
  276   2HB   SER  38          3HB       SER  38  -7.203   9.247  -8.786
  277    HG   SER  38           HOG      SER  38  -6.753   8.947  -6.507
  278    H    CYS  39           HN       CYS  39  -4.820  10.340  -6.009
  279    HA   CYS  39           HA       CYS  39  -3.642  13.000  -6.405
  280   1HB   CYS  39          2HB       CYS  39  -4.253  13.148  -3.950
  281   2HB   CYS  39          3HB       CYS  39  -5.485  13.070  -5.170
  282    H    ARG  40           HN       ARG  40  -2.367  12.880  -3.612
  283    HA   ARG  40           HA       ARG  40  -0.615  11.030  -3.066
  284   1HB   ARG  40          2HB       ARG  40   0.431  12.127  -5.566
  285   2HB   ARG  40          3HB       ARG  40   1.489  12.641  -4.286
  286   1HG   ARG  40          2HG       ARG  40   1.992  10.418  -3.583
  287   2HG   ARG  40          3HG       ARG  40   0.579   9.767  -4.397
  288   1HD   ARG  40          2HD       ARG  40   2.221   9.018  -5.749
  289   2HD   ARG  40          3HD       ARG  40   1.719  10.430  -6.642
  290    HE   ARG  40           HNE      ARG  40   4.245   9.833  -5.270
  291   1HH1  ARG  40          2HN2      ARG  40   2.324  12.460  -6.566
  292   2HH1  ARG  40          1HN2      ARG  40   3.665  13.434  -7.094
  293   1HH2  ARG  40          2HN1      ARG  40   6.069  11.018  -6.015
  294   2HH2  ARG  40          1HN1      ARG  40   5.876  12.588  -6.728
  295    H    ALA  41           HN       ALA  41   1.441  11.974  -1.948
  296    HA   ALA  41           HA       ALA  41   2.517  13.636  -0.762
  297   1HB   ALA  41          1HB       ALA  41   1.122  15.521  -1.616
  298   2HB   ALA  41          2HB       ALA  41  -0.075  15.156  -0.340
  299   3HB   ALA  41          3HB       ALA  41   1.568  15.633   0.095
  300    H    GLY  42           HN       GLY  42  -0.744  12.485   0.140
  301   1HA   GLY  42          2HA       GLY  42  -0.696  10.576   1.589
  302   2HA   GLY  42          3HA       GLY  42   0.458  11.367   2.667
  303    H    SER  43           HN       SER  43  -1.197  13.968   2.237
  304    HA   SER  43           HA       SER  43  -3.589  13.373   3.921
  305   1HB   SER  43          2HB       SER  43  -3.382  16.069   3.939
  306   2HB   SER  43          3HB       SER  43  -2.544  15.048   5.087
  307    HG   SER  43           HOG      SER  43  -1.131  16.566   4.067
  308    H    CYS  44           HN       CYS  44  -4.012  12.350   1.628
  309    HA   CYS  44           HA       CYS  44  -5.379  14.383  -0.059
  310   1HB   CYS  44          2HB       CYS  44  -4.780  12.946  -1.922
  311   2HB   CYS  44          3HB       CYS  44  -3.491  13.829  -1.150
  312    H    SER  45           HN       SER  45  -6.309  11.701  -1.499
  313    HA   SER  45           HA       SER  45  -8.915  11.976  -0.321
  314   1HB   SER  45          2HB       SER  45  -7.971  10.022  -2.458
  315   2HB   SER  45          3HB       SER  45  -9.649  10.364  -2.003
  316    HG   SER  45           HOG      SER  45  -7.719  12.084  -3.160
  317    H    SER  46           HN       SER  46  -7.833   8.627  -0.983
  318    HA   SER  46           HA       SER  46  -7.447   8.077   1.771
  319   1HB   SER  46          2HB       SER  46  -9.553   6.236   1.241
  320   2HB   SER  46          3HB       SER  46  -9.499   7.523   2.452
  321    HG   SER  46           HOG      SER  46 -11.279   7.564   0.834
  322    H    CYS  47           HN       CYS  47  -8.433   6.420  -1.229
  323    HA   CYS  47           HA       CYS  47  -7.772   4.395  -1.938
  324   1HB   CYS  47          2HB       CYS  47  -6.943   4.985  -3.766
  325   2HB   CYS  47          3HB       CYS  47  -7.023   6.606  -3.127
  326    H    ALA  48           HN       ALA  48  -7.319   3.834   0.510
  327    HA   ALA  48           HA       ALA  48  -4.630   2.906   1.095
  328   1HB   ALA  48          3HB       ALA  48  -7.267   2.468   2.487
  329   2HB   ALA  48          1HB       ALA  48  -5.666   2.116   3.166
  330   3HB   ALA  48          2HB       ALA  48  -6.093   3.786   2.763
  331    H    GLY  49           HN       GLY  49  -4.435   0.692   2.118
  332   1HA   GLY  49          2HA       GLY  49  -5.788  -1.461   0.666
  333   2HA   GLY  49          3HA       GLY  49  -4.021  -1.446   0.701
  334    H    LYS  50           HN       LYS  50  -5.435  -3.582   1.864
  335    HA   LYS  50           HA       LYS  50  -5.405  -3.172   4.749
  336   1HB   LYS  50          2HB       LYS  50  -7.211  -4.248   3.221
  337   2HB   LYS  50          3HB       LYS  50  -6.242  -5.713   3.348
  338   1HG   LYS  50          2HG       LYS  50  -6.554  -5.848   5.717
  339   2HG   LYS  50          3HG       LYS  50  -7.065  -4.153   5.802
  340   1HD   LYS  50          2HD       LYS  50  -8.969  -4.765   4.226
  341   2HD   LYS  50          3HD       LYS  50  -8.638  -6.462   4.612
  342   1HE   LYS  50          2HE       LYS  50  -9.094  -6.063   6.994
  343   2HE   LYS  50          3HE       LYS  50  -9.038  -4.340   6.786
  344   1HZ   LYS  50          1HNZ      LYS  50 -10.983  -4.452   5.304
  345   2HZ   LYS  50          2HNZ      LYS  50 -11.190  -6.011   5.694
  346   3HZ   LYS  50          3HNZ      LYS  50 -11.294  -4.828   6.857
  347    H    VAL  51           HN       VAL  51  -3.509  -3.676   5.821
  348    HA   VAL  51           HA       VAL  51  -1.368  -5.258   4.670
  349    HB   VAL  51           HB       VAL  51  -1.924  -4.360   7.547
  350   1HG1  VAL  51          2HG1      VAL  51   0.623  -5.462   6.282
  351   2HG1  VAL  51          3HG1      VAL  51   0.515  -4.714   7.892
  352   3HG1  VAL  51          1HG1      VAL  51  -0.345  -6.221   7.568
  353   1HG2  VAL  51          1HG2      VAL  51  -0.145  -3.120   5.415
  354   2HG2  VAL  51          2HG2      VAL  51  -1.676  -2.452   6.027
  355   3HG2  VAL  51          3HG2      VAL  51  -0.280  -2.561   7.098
  356    H    VAL  52           HN       VAL  52  -1.458  -7.414   4.460
  357    HA   VAL  52           HA       VAL  52  -3.245  -9.075   6.155
  358    HB   VAL  52           HB       VAL  52  -1.552  -9.685   3.721
  359   1HG1  VAL  52          3HG1      VAL  52  -3.564 -11.440   5.193
  360   2HG1  VAL  52          1HG1      VAL  52  -2.821 -11.830   3.629
  361   3HG1  VAL  52          2HG1      VAL  52  -1.813 -11.727   5.074
  362   1HG2  VAL  52          1HG2      VAL  52  -4.531  -9.203   4.045
  363   2HG2  VAL  52          2HG2      VAL  52  -3.357  -8.289   3.066
  364   3HG2  VAL  52          3HG2      VAL  52  -3.802  -9.939   2.607
  365    H    SER  53           HN       SER  53   0.244  -8.681   5.213
  366    HA   SER  53           HA       SER  53   1.065  -9.523   7.837
  367   1HB   SER  53          2HB       SER  53   0.525 -11.773   6.684
  368   2HB   SER  53          3HB       SER  53   1.877 -11.414   5.592
  369    HG   SER  53           HOG      SER  53   1.889 -11.832   8.395
  370    H    GLY  54           HN       GLY  54   3.551  -9.959   7.717
  371   1HA   GLY  54          2HA       GLY  54   5.646  -8.979   7.398
  372   2HA   GLY  54          3HA       GLY  54   5.050  -8.177   5.944
  373    H    SER  55           HN       SER  55   6.217  -6.259   6.722
  374    HA   SER  55           HA       SER  55   4.313  -4.496   7.934
  375   1HB   SER  55          2HB       SER  55   5.598  -5.281   9.943
  376   2HB   SER  55          3HB       SER  55   7.082  -4.641   9.210
  377    HG   SER  55           HOG      SER  55   4.767  -3.267  10.120
  378    H    ILE  56           HN       ILE  56   5.359  -2.253   7.886
  379    HA   ILE  56           HA       ILE  56   7.055  -1.636   5.636
  380    HB   ILE  56           HB       ILE  56   5.147  -0.591   4.391
  381   1HG1  ILE  56          2HG1      ILE  56   3.411  -2.149   6.337
  382   2HG1  ILE  56          3HG1      ILE  56   3.437  -0.404   6.080
  383   1HG2  ILE  56          2HG2      ILE  56   6.081  -3.029   3.980
  384   2HG2  ILE  56          3HG2      ILE  56   4.533  -3.519   4.617
  385   3HG2  ILE  56          1HG2      ILE  56   4.613  -2.515   3.142
  386   1HD1  ILE  56           HD2      ILE  56   2.653  -0.845   3.714
  387   2HD1  ILE  56           HD3      ILE  56   2.489  -2.566   4.121
  388   3HD1  ILE  56           HD1      ILE  56   1.522  -1.393   4.992
  389    H    ASP  57           HN       ASP  57   7.089   0.794   5.367
  390    HA   ASP  57           HA       ASP  57   6.272   2.208   7.883
  391   1HB   ASP  57          2HB       ASP  57   8.713   1.980   7.739
  392   2HB   ASP  57          3HB       ASP  57   8.702   2.638   6.090
  393    H    GLN  58           HN       GLN  58   4.453   3.303   7.333
  394    HA   GLN  58           HA       GLN  58   4.456   4.905   4.808
  395   1HB   GLN  58          2HB       GLN  58   1.975   5.029   5.276
  396   2HB   GLN  58          3HB       GLN  58   2.586   3.442   4.799
  397   1HG   GLN  58          2HG       GLN  58   2.481   2.605   6.998
  398   2HG   GLN  58          3HG       GLN  58   2.340   4.223   7.702
  399   1HE2  GLN  58          2HNE      GLN  58  -0.956   2.565   7.826
  400   2HE2  GLN  58          1HNE      GLN  58   0.672   2.176   8.353
  401    H    SER  59           HN       SER  59   6.054   5.619   7.210
  402    HA   SER  59           HA       SER  59   5.022   7.657   8.707
  403   1HB   SER  59          2HB       SER  59   7.403   6.925   8.697
  404   2HB   SER  59          3HB       SER  59   7.644   7.736   7.141
  405    HG   SER  59           HOG      SER  59   6.791   8.992   9.557
  406    H    ASP  60           HN       ASP  60   5.910   7.877   5.251
  407    HA   ASP  60           HA       ASP  60   5.374  10.531   4.756
  408   1HB   ASP  60          2HB       ASP  60   4.888   8.249   2.808
  409   2HB   ASP  60          3HB       ASP  60   5.379   9.912   2.441
  410    H    GLN  61           HN       GLN  61   2.956   8.401   5.824
  411    HA   GLN  61           HA       GLN  61   0.737   9.346   4.261
  412   1HB   GLN  61          2HB       GLN  61  -0.604   8.218   5.936
  413   2HB   GLN  61          3HB       GLN  61   0.818   7.219   5.640
  414   1HG   GLN  61          2HG       GLN  61   1.842   8.519   7.723
  415   2HG   GLN  61          3HG       GLN  61   0.173   8.976   8.049
  416   1HE2  GLN  61          2HNE      GLN  61  -0.769   5.430   8.555
  417   2HE2  GLN  61          1HNE      GLN  61  -1.343   6.793   7.609
  418    H    SER  62           HN       SER  62  -1.010  10.743   5.092
  419    HA   SER  62           HA       SER  62  -0.666  11.949   7.707
  420   1HB   SER  62          2HB       SER  62  -0.604  13.687   5.210
  421   2HB   SER  62          3HB       SER  62  -1.131  14.293   6.797
  422    HG   SER  62           HOG      SER  62   1.326  12.958   6.598
  423    H    PHE  63           HN       PHE  63  -2.320  10.024   7.134
  424    HA   PHE  63           HA       PHE  63  -4.940  11.288   7.233
  425   1HB   PHE  63          2HB       PHE  63  -4.985  11.169   4.907
  426   2HB   PHE  63          3HB       PHE  63  -4.103   9.643   4.868
  427    HD1  PHE  63           HD1      PHE  63  -7.255  10.568   6.796
  428    HD2  PHE  63           HD2      PHE  63  -5.443   8.194   3.659
  429    HE1  PHE  63           HE1      PHE  63  -9.265   9.164   6.685
  430    HE2  PHE  63           HE2      PHE  63  -7.382   6.749   3.645
  431    HZ   PHE  63           HZ       PHE  63  -9.355   7.238   5.125
  432    H    LEU  64           HN       LEU  64  -3.612   7.851   6.769
  433    HA   LEU  64           HA       LEU  64  -5.863   6.860   7.990
  434   1HB   LEU  64          2HB       LEU  64  -3.101   5.580   7.841
  435   2HB   LEU  64          3HB       LEU  64  -4.471   4.807   8.574
  436    HG   LEU  64           HG       LEU  64  -5.767   5.162   6.374
  437   1HD1  LEU  64          1HD1      LEU  64  -2.911   5.556   5.431
  438   2HD1  LEU  64          2HD1      LEU  64  -4.302   5.196   4.373
  439   3HD1  LEU  64          3HD1      LEU  64  -4.234   6.725   5.247
  440   1HD2  LEU  64          2HD2      LEU  64  -3.364   3.324   6.651
  441   2HD2  LEU  64          3HD2      LEU  64  -5.008   3.035   7.258
  442   3HD2  LEU  64          1HD2      LEU  64  -4.712   3.071   5.505
  443    H    ASP  65           HN       ASP  65  -6.520   6.289   9.977
  444    HA   ASP  65           HA       ASP  65  -5.167   7.563  12.214
  445   1HB   ASP  65          2HB       ASP  65  -7.647   5.821  12.260
  446   2HB   ASP  65          3HB       ASP  65  -7.165   7.041  13.451
  447    H    ASP  66           HN       ASP  66  -4.978   6.362  14.309
  448    HA   ASP  66           HA       ASP  66  -3.206   4.164  14.214
  449   1HB   ASP  66          2HB       ASP  66  -5.092   5.099  16.436
  450   2HB   ASP  66          3HB       ASP  66  -3.767   3.943  16.632
  451    H    GLU  67           HN       GLU  67  -6.720   4.422  14.653
  452    HA   GLU  67           HA       GLU  67  -7.385   1.797  15.187
  453   1HB   GLU  67          2HB       GLU  67  -9.194   3.331  13.296
  454   2HB   GLU  67          3HB       GLU  67  -9.553   2.411  14.749
  455   1HG   GLU  67          2HG       GLU  67  -8.378   4.353  15.997
  456   2HG   GLU  67          3HG       GLU  67  -8.563   5.236  14.464
  457    H    GLN  68           HN       GLN  68  -7.501   3.344  11.928
  458    HA   GLN  68           HA       GLN  68  -7.926   1.071  10.465
  459   1HB   GLN  68          2HB       GLN  68  -6.387   3.570   9.722
  460   2HB   GLN  68          3HB       GLN  68  -6.964   2.364   8.562
  461   1HG   GLN  68          2HG       GLN  68  -9.250   2.671   9.158
  462   2HG   GLN  68          3HG       GLN  68  -8.834   3.763  10.482
  463   1HE2  GLN  68          2HNE      GLN  68  -9.836   5.783   7.579
  464   2HE2  GLN  68          1HNE      GLN  68 -10.623   4.524   8.506
  465    H    MET  69           HN       MET  69  -4.667   2.524  11.256
  466    HA   MET  69           HA       MET  69  -3.141   0.561   9.924
  467   1HB   MET  69          2HB       MET  69  -2.502   2.182  12.414
  468   2HB   MET  69          3HB       MET  69  -1.361   1.203  11.476
  469   1HG   MET  69          2HG       MET  69  -2.149   2.562   9.402
  470   2HG   MET  69          3HG       MET  69  -2.939   3.595  10.531
  471   1HE   MET  69           HE1      MET  69  -1.738   5.124  12.254
  472   2HE   MET  69           HE2      MET  69  -0.422   6.063  11.484
  473   3HE   MET  69           HE3      MET  69  -1.934   5.752  10.594
  474    H    ASP  70           HN       ASP  70  -4.103   0.577  13.381
  475    HA   ASP  70           HA       ASP  70  -2.980  -1.906  14.143
  476   1HB   ASP  70          2HB       ASP  70  -3.888  -0.150  15.695
  477   2HB   ASP  70          3HB       ASP  70  -5.518  -0.534  15.150
  478    H    ALA  71           HN       ALA  71  -6.104  -1.030  12.844
  479    HA   ALA  71           HA       ALA  71  -7.452  -3.526  13.031
  480   1HB   ALA  71          3HB       ALA  71  -7.857  -1.129  11.210
  481   2HB   ALA  71          1HB       ALA  71  -9.030  -2.454  11.394
  482   3HB   ALA  71          2HB       ALA  71  -8.635  -1.409  12.777
  483    H    GLY  72           HN       GLY  72  -5.072  -2.364  10.720
  484   1HA   GLY  72          2HA       GLY  72  -3.912  -4.232   9.619
  485   2HA   GLY  72          3HA       GLY  72  -5.455  -4.872   9.119
  486    H    TYR  73           HN       TYR  73  -4.725  -1.335   8.984
  487    HA   TYR  73           HA       TYR  73  -4.847  -1.607   6.002
  488   1HB   TYR  73          2HB       TYR  73  -5.925   0.560   7.755
  489   2HB   TYR  73          3HB       TYR  73  -5.934   0.537   5.997
  490    HD1  TYR  73           HD2      TYR  73  -7.041  -1.420   4.767
  491    HD2  TYR  73           HD1      TYR  73  -7.776  -0.508   8.910
  492    HE1  TYR  73           HE2      TYR  73  -9.280  -2.374   4.584
  493    HE2  TYR  73           HE1      TYR  73 -10.053  -1.386   8.714
  494    HH   TYR  73           HOH      TYR  73 -11.779  -1.700   6.648
  495    H    VAL  74           HN       VAL  74  -3.889   0.168   4.698
  496    HA   VAL  74           HA       VAL  74  -1.793   1.746   5.940
  497    HB   VAL  74           HB       VAL  74  -0.741  -0.471   5.689
  498   1HG1  VAL  74          2HG1      VAL  74  -2.033  -1.303   3.739
  499   2HG1  VAL  74          3HG1      VAL  74  -1.103  -0.194   2.707
  500   3HG1  VAL  74          1HG1      VAL  74  -0.284  -1.485   3.580
  501   1HG2  VAL  74          2HG2      VAL  74   0.284   2.014   4.475
  502   2HG2  VAL  74          3HG2      VAL  74   1.081   0.833   5.506
  503   3HG2  VAL  74          1HG2      VAL  74   0.978   0.590   3.747
  504    H    LEU  75           HN       LEU  75  -1.270   3.482   4.664
  505    HA   LEU  75           HA       LEU  75  -3.000   4.408   2.725
  506   1HB   LEU  75          2HB       LEU  75  -1.266   5.690   4.063
  507   2HB   LEU  75          3HB       LEU  75  -0.017   5.011   3.030
  508    HG   LEU  75           HG       LEU  75  -0.850   6.170   1.123
  509   1HD1  LEU  75          2HD1      LEU  75  -3.215   7.008   2.881
  510   2HD1  LEU  75          3HD1      LEU  75  -2.812   7.807   1.354
  511   3HD1  LEU  75          1HD1      LEU  75  -3.293   6.113   1.342
  512   1HD2  LEU  75          1HD2      LEU  75   0.517   7.391   2.844
  513   2HD2  LEU  75          2HD2      LEU  75  -0.492   8.436   1.821
  514   3HD2  LEU  75          3HD2      LEU  75  -1.004   8.071   3.481
  515    H    THR  76           HN       THR  76   0.071   2.635   2.211
  516    HA   THR  76           HA       THR  76   0.780   1.352   0.504
  517    HB   THR  76           HB       THR  76  -1.785   1.756  -1.085
  518    HG1  THR  76           HG1      THR  76  -2.352   1.119   1.042
  519   1HG2  THR  76          3HG2      THR  76   0.125   0.557  -2.152
  520   2HG2  THR  76          1HG2      THR  76   0.143  -0.586  -0.791
  521   3HG2  THR  76          2HG2      THR  76  -1.271  -0.496  -1.859
  522    H    CYS  77           HN       CYS  77  -1.137   4.103  -0.883
  523    HA   CYS  77           HA       CYS  77   0.539   4.520  -3.102
  524   1HB   CYS  77          2HB       CYS  77  -0.651   6.582  -3.361
  525   2HB   CYS  77          3HB       CYS  77  -1.708   5.228  -2.986
  526    H    HIS  78           HN       HIS  78   0.956   5.462   0.202
  527    HA   HIS  78           HA       HIS  78   3.649   6.541  -0.448
  528   1HB   HIS  78          2HB       HIS  78   1.398   8.047   0.623
  529   2HB   HIS  78          3HB       HIS  78   2.656   7.957   1.846
  530    HD1  HIS  78           HND      HIS  78   3.224  10.489   1.718
  531    HD2  HIS  78           HD       HIS  78   3.426   8.445  -1.967
  532    HE1  HIS  78           HE       HIS  78   4.287  12.082   0.037
  533    H    ALA  79           HN       ALA  79   4.266   4.323   0.036
  534    HA   ALA  79           HA       ALA  79   4.827   3.967   2.877
  535   1HB   ALA  79          3HB       ALA  79   2.576   2.874   2.596
  536   2HB   ALA  79          1HB       ALA  79   3.274   1.835   1.345
  537   3HB   ALA  79          2HB       ALA  79   3.861   1.722   3.019
  538    H    TYR  80           HN       TYR  80   6.679   2.807   3.209
  539    HA   TYR  80           HA       TYR  80   8.228   1.804   0.855
  540   1HB   TYR  80          2HB       TYR  80   9.011   2.659   3.663
  541   2HB   TYR  80          3HB       TYR  80  10.112   1.973   2.493
  542    HD1  TYR  80           HD1      TYR  80  10.225   3.244   0.142
  543    HD2  TYR  80           HD2      TYR  80   8.861   4.988   3.837
  544    HE1  TYR  80           HE1      TYR  80  10.361   5.518  -0.875
  545    HE2  TYR  80           HE2      TYR  80   9.298   7.231   2.919
  546    HH   TYR  80           HOH      TYR  80   9.180   8.372   0.979
  547    HA   PRO  81           HA       PRO  81   7.517  -2.143   2.870
  548   1HB   PRO  81          2HB       PRO  81   8.971  -3.715   1.057
  549   2HB   PRO  81          3HB       PRO  81   7.253  -3.265   0.937
  550   1HG   PRO  81          2HG       PRO  81   9.515  -2.238  -0.663
  551   2HG   PRO  81          3HG       PRO  81   7.752  -2.061  -0.889
  552   1HD   PRO  81          2HD       PRO  81   9.511  -0.050   0.095
  553   2HD   PRO  81          3HD       PRO  81   7.754  -0.018  -0.180
  554    H    THR  82           HN       THR  82   8.621  -2.762   4.755
  555    HA   THR  82           HA       THR  82  11.554  -2.364   4.805
  556    HB   THR  82           HB       THR  82  11.128  -2.659   7.272
  557    HG1  THR  82           HG1      THR  82   8.887  -2.350   7.840
  558   1HG2  THR  82          1HG2      THR  82  11.384  -0.465   6.107
  559   2HG2  THR  82          2HG2      THR  82   9.635  -0.417   5.824
  560   3HG2  THR  82          3HG2      THR  82  10.258  -0.363   7.485
  561    H    SER  83           HN       SER  83   9.332  -4.944   4.347
  562    HA   SER  83           HA       SER  83  11.478  -6.815   4.138
  563   1HB   SER  83          2HB       SER  83   9.314  -7.277   6.264
  564   2HB   SER  83          3HB       SER  83  10.433  -8.527   5.705
  565    HG   SER  83           HOG      SER  83  11.762  -6.288   6.493
  566    H    ASP  84           HN       ASP  84  10.082  -9.127   3.748
  567    HA   ASP  84           HA       ASP  84   8.380  -8.708   1.484
  568   1HB   ASP  84          2HB       ASP  84   7.860 -11.126   1.902
  569   2HB   ASP  84          3HB       ASP  84   9.589 -10.789   1.734
  570    H    VAL  85           HN       VAL  85   6.190  -8.676   1.414
  571    HA   VAL  85           HA       VAL  85   4.599  -8.613   3.874
  572    HB   VAL  85           HB       VAL  85   5.678  -6.473   4.063
  573   1HG1  VAL  85          2HG1      VAL  85   6.443  -6.193   1.755
  574   2HG1  VAL  85          3HG1      VAL  85   4.781  -5.790   1.268
  575   3HG1  VAL  85          1HG1      VAL  85   5.675  -4.746   2.385
  576   1HG2  VAL  85          1HG2      VAL  85   2.748  -6.439   3.536
  577   2HG2  VAL  85          2HG2      VAL  85   3.705  -5.782   4.862
  578   3HG2  VAL  85          3HG2      VAL  85   3.537  -4.915   3.320
  579    H    VAL  86           HN       VAL  86   2.402  -8.532   3.598
  580    HA   VAL  86           HA       VAL  86   1.427  -8.986   0.812
  581    HB   VAL  86           HB       VAL  86   0.591 -10.430   3.370
  582   1HG1  VAL  86          1HG1      VAL  86  -1.228 -10.100   1.575
  583   2HG1  VAL  86          2HG1      VAL  86  -0.169 -10.995   0.493
  584   3HG1  VAL  86          3HG1      VAL  86  -0.821 -11.791   1.930
  585   1HG2  VAL  86          2HG2      VAL  86   2.242 -11.390   0.990
  586   2HG2  VAL  86          3HG2      VAL  86   2.780 -11.267   2.677
  587   3HG2  VAL  86          1HG2      VAL  86   1.551 -12.455   2.230
  588    H    ILE  87           HN       ILE  87  -0.129  -7.508   0.274
  589    HA   ILE  87           HA       ILE  87  -1.792  -6.366   2.402
  590    HB   ILE  87           HB       ILE  87   0.042  -4.888   2.315
  591   1HG1  ILE  87          2HG1      ILE  87  -2.103  -3.721   2.417
  592   2HG1  ILE  87          3HG1      ILE  87  -0.710  -2.810   1.829
  593   1HG2  ILE  87          1HG2      ILE  87  -0.098  -5.097  -0.638
  594   2HG2  ILE  87          2HG2      ILE  87   0.657  -3.687   0.130
  595   3HG2  ILE  87          3HG2      ILE  87   1.301  -5.323   0.426
  596   1HD1  ILE  87           HD3      ILE  87  -1.815  -3.884  -0.512
  597   2HD1  ILE  87           HD1      ILE  87  -3.163  -3.391   0.497
  598   3HD1  ILE  87           HD2      ILE  87  -1.902  -2.211   0.068
  599    H    GLU  88           HN       GLU  88  -3.845  -5.653   1.626
  600    HA   GLU  88           HA       GLU  88  -4.561  -6.564  -1.122
  601   1HB   GLU  88          2HB       GLU  88  -6.415  -5.741   1.065
  602   2HB   GLU  88          3HB       GLU  88  -6.823  -6.694  -0.374
  603   1HG   GLU  88          2HG       GLU  88  -5.707  -8.622   0.638
  604   2HG   GLU  88          3HG       GLU  88  -5.167  -7.612   1.991
  605    H    THR  89           HN       THR  89  -4.875  -5.041  -2.665
  606    HA   THR  89           HA       THR  89  -4.846  -2.187  -1.816
  607    HB   THR  89           HB       THR  89  -4.450  -1.660  -4.156
  608    HG1  THR  89           HG1      THR  89  -5.121  -4.374  -4.613
  609   1HG2  THR  89          1HG2      THR  89  -2.863  -4.132  -3.338
  610   2HG2  THR  89          2HG2      THR  89  -2.444  -2.961  -4.592
  611   3HG2  THR  89          3HG2      THR  89  -2.521  -2.448  -2.894
  612    H    HIS  90           HN       HIS  90  -6.457  -0.726  -3.157
  613    HA   HIS  90           HA       HIS  90  -8.554  -0.060  -3.670
  614   1HB   HIS  90          2HB       HIS  90  -9.295  -2.993  -4.063
  615   2HB   HIS  90          3HB       HIS  90 -10.212  -1.584  -4.576
  616    HD1  HIS  90           HND      HIS  90  -6.466  -2.421  -5.225
  617    HD2  HIS  90           HD       HIS  90 -10.088  -1.556  -7.177
  618    HE1  HIS  90           HE       HIS  90  -5.918  -2.330  -7.655
  619    H    LYS  91           HN       LYS  91  -7.969   0.075  -1.071
  620    HA   LYS  91           HA       LYS  91 -10.437  -0.878   0.352
  621   1HB   LYS  91          2HB       LYS  91  -7.672  -0.468   1.506
  622   2HB   LYS  91          3HB       LYS  91  -9.069  -1.152   2.314
  623   1HG   LYS  91          2HG       LYS  91  -7.745  -2.402  -0.146
  624   2HG   LYS  91          3HG       LYS  91  -7.478  -2.888   1.518
  625   1HD   LYS  91          2HD       LYS  91  -9.588  -3.547   1.903
  626   2HD   LYS  91          3HD       LYS  91 -10.258  -2.884   0.426
  627   1HE   LYS  91          2HE       LYS  91  -9.534  -4.449  -0.981
  628   2HE   LYS  91          3HE       LYS  91  -8.133  -4.872  -0.001
  629   1HZ   LYS  91          3HNZ      LYS  91 -10.824  -5.444   1.006
  630   2HZ   LYS  91          1HNZ      LYS  91 -10.105  -6.487  -0.067
  631   3HZ   LYS  91          2HNZ      LYS  91  -9.381  -6.207   1.359
  632    H    GLU  92           HN       GLU  92 -10.508   1.455  -1.091
  633    HA   GLU  92           HA       GLU  92 -10.153   3.715   0.702
  634   1HB   GLU  92          2HB       GLU  92 -10.205   3.943  -1.722
  635   2HB   GLU  92          3HB       GLU  92 -11.857   3.333  -1.832
  636   1HG   GLU  92          2HG       GLU  92 -12.772   5.306  -1.009
  637   2HG   GLU  92          3HG       GLU  92 -11.348   5.682  -0.034
  638    H    GLU  93           HN       GLU  93 -13.244   2.287  -0.512
  639    HA   GLU  93           HA       GLU  93 -14.566   3.003   1.976
  640   1HB   GLU  93          2HB       GLU  93 -15.550   1.506  -0.493
  641   2HB   GLU  93          3HB       GLU  93 -16.558   1.993   0.871
  642   1HG   GLU  93          2HG       GLU  93 -15.081   4.333   0.003
  643   2HG   GLU  93          3HG       GLU  93 -15.819   3.571  -1.412
  644    H    GLU  94           HN       GLU  94 -12.599   1.465   2.689
  645    HA   GLU  94           HA       GLU  94 -14.011  -0.660   4.144
  646   1HB   GLU  94          2HB       GLU  94 -11.285  -0.917   2.792
  647   2HB   GLU  94          3HB       GLU  94 -11.682  -1.792   4.260
  648   1HG   GLU  94          2HG       GLU  94 -13.813  -2.586   2.942
  649   2HG   GLU  94          3HG       GLU  94 -12.858  -2.129   1.530
  650    H    ILE  95           HN       ILE  95 -11.486   1.925   4.071
  651    HA   ILE  95           HA       ILE  95 -10.892   1.454   6.869
  652    HB   ILE  95           HB       ILE  95  -9.180   3.114   6.505
  653   1HG1  ILE  95          2HG1      ILE  95  -9.907   3.149   3.560
  654   2HG1  ILE  95          3HG1      ILE  95 -10.479   4.396   4.668
  655   1HG2  ILE  95          3HG2      ILE  95  -8.889   0.790   6.109
  656   2HG2  ILE  95          1HG2      ILE  95  -9.230   0.920   4.378
  657   3HG2  ILE  95          2HG2      ILE  95  -7.793   1.700   5.075
  658   1HD1  ILE  95           HD1      ILE  95  -7.552   3.761   4.447
  659   2HD1  ILE  95           HD2      ILE  95  -8.427   4.919   3.416
  660   3HD1  ILE  95           HD3      ILE  95  -8.349   5.133   5.201
  661    H    VAL  96           HN       VAL  96 -12.671   3.810   4.938
  662    HA   VAL  96           HA       VAL  96 -12.897   5.635   7.254
  663    HB   VAL  96           HB       VAL  96 -14.247   7.012   5.687
  664   1HG1  VAL  96          1HG1      VAL  96 -11.825   7.435   6.068
  665   2HG1  VAL  96          2HG1      VAL  96 -11.434   6.365   4.711
  666   3HG1  VAL  96          3HG1      VAL  96 -12.322   7.861   4.425
  667   1HG2  VAL  96          3HG2      VAL  96 -14.935   5.168   4.115
  668   2HG2  VAL  96          1HG2      VAL  96 -14.246   6.586   3.310
  669   3HG2  VAL  96          2HG2      VAL  96 -13.270   5.125   3.499
   
  No H/Q in entry =         668
  Start of MODEL    3
    1   1H    ALA   1          1HN       ALA   1  17.550  -2.234  -0.074
    2   2H    ALA   1          2HN       ALA   1  16.504  -2.315  -1.257
    3   2H    ALA   1          3HN       ALA   1  16.504  -2.315  -1.257
    4    HA   ALA   1           HA       ALA   1  18.250  -4.529  -1.014
    5   1HB   ALA   1          1HB       ALA   1  17.754  -3.985   1.340
    6   2HB   ALA   1          2HB       ALA   1  16.015  -4.143   0.997
    7   3HB   ALA   1          3HB       ALA   1  17.084  -5.549   0.840
    8    H    THR   2           HN       THR   2  14.802  -3.549  -1.209
    9    HA   THR   2           HA       THR   2  13.252  -4.013  -2.638
   10    HB   THR   2           HB       THR   2  14.996  -5.896  -4.161
   11    HG1  THR   2           HG1      THR   2  14.972  -3.119  -4.702
   12   1HG2  THR   2          1HG2      THR   2  12.555  -5.641  -4.812
   13   2HG2  THR   2          2HG2      THR   2  12.861  -3.920  -5.101
   14   3HG2  THR   2          3HG2      THR   2  13.682  -5.140  -6.091
   15    H    TYR   3           HN       TYR   3  11.465  -5.184  -2.209
   16    HA   TYR   3           HA       TYR   3  11.865  -7.935  -1.088
   17   1HB   TYR   3          2HB       TYR   3  10.071  -5.752   0.017
   18   2HB   TYR   3          3HB       TYR   3  10.193  -7.389   0.613
   19    HD1  TYR   3           HD2      TYR   3  12.888  -8.072   1.067
   20    HD2  TYR   3           HD1      TYR   3  11.124  -4.152   1.302
   21    HE1  TYR   3           HE2      TYR   3  14.698  -7.343   2.599
   22    HE2  TYR   3           HE1      TYR   3  12.806  -3.504   2.995
   23    HH   TYR   3           HOH      TYR   3  14.671  -4.127   4.148
   24    H    ASN   4           HN       ASN   4  10.039  -9.237  -1.046
   25    HA   ASN   4           HA       ASN   4   8.396  -9.288  -3.397
   26   1HB   ASN   4          2HB       ASN   4   9.397 -11.306  -2.450
   27   2HB   ASN   4          3HB       ASN   4   8.740 -10.934  -0.855
   28   1HD2  ASN   4          2HND      ASN   4   5.795 -11.945  -3.527
   29   2HD2  ASN   4          1HND      ASN   4   6.684 -10.412  -3.651
   30    H    VAL   5           HN       VAL   5   6.864  -7.676  -3.374
   31    HA   VAL   5           HA       VAL   5   5.137  -7.433  -0.946
   32    HB   VAL   5           HB       VAL   5   5.350  -5.562  -3.318
   33   1HG1  VAL   5          2HG1      VAL   5   3.733  -5.557  -0.716
   34   2HG1  VAL   5          3HG1      VAL   5   4.019  -4.102  -1.670
   35   3HG1  VAL   5          1HG1      VAL   5   3.128  -5.459  -2.369
   36   1HG2  VAL   5          3HG2      VAL   5   6.541  -5.504  -0.532
   37   2HG2  VAL   5          1HG2      VAL   5   7.381  -5.410  -2.085
   38   3HG2  VAL   5          2HG2      VAL   5   6.361  -4.057  -1.544
   39    H    LYS   6           HN       LYS   6   3.301  -8.684  -1.059
   40    HA   LYS   6           HA       LYS   6   2.099  -9.205  -3.719
   41   1HB   LYS   6          2HB       LYS   6   2.216 -11.031  -2.127
   42   2HB   LYS   6          3HB       LYS   6   1.295 -10.088  -0.965
   43   1HG   LYS   6          2HG       LYS   6  -0.614  -9.910  -2.638
   44   2HG   LYS   6          3HG       LYS   6   0.346 -10.848  -3.772
   45   1HD   LYS   6          2HD       LYS   6  -0.914 -11.789  -1.158
   46   2HD   LYS   6          3HD       LYS   6  -1.267 -12.204  -2.813
   47   1HE   LYS   6          2HE       LYS   6   1.211 -12.961  -2.954
   48   2HE   LYS   6          3HE       LYS   6   1.192 -12.965  -1.192
   49   1HZ   LYS   6          1HNZ      LYS   6  -0.743 -14.379  -2.960
   50   2HZ   LYS   6          2HNZ      LYS   6   0.630 -15.097  -2.386
   51   3HZ   LYS   6          3HNZ      LYS   6  -0.579 -14.621  -1.348
   52    H    LEU   7           HN       LEU   7   0.552  -8.012  -4.566
   53    HA   LEU   7           HA       LEU   7  -1.216  -6.369  -2.795
   54   1HB   LEU   7          2HB       LEU   7  -0.645  -6.213  -5.772
   55   2HB   LEU   7          3HB       LEU   7  -1.619  -5.075  -4.869
   56    HG   LEU   7           HG       LEU   7   1.382  -5.536  -4.684
   57   1HD1  LEU   7          3HD1      LEU   7  -0.267  -3.201  -5.661
   58   2HD1  LEU   7          1HD1      LEU   7   1.500  -3.211  -5.570
   59   3HD1  LEU   7          2HD1      LEU   7   0.668  -4.326  -6.667
   60   1HD2  LEU   7          3HD2      LEU   7  -0.380  -3.675  -3.043
   61   2HD2  LEU   7          1HD2      LEU   7   0.720  -4.951  -2.472
   62   3HD2  LEU   7          2HD2      LEU   7   1.372  -3.487  -3.203
   63    H    ILE   8           HN       ILE   8  -2.824  -7.715  -2.146
   64    HA   ILE   8           HA       ILE   8  -4.043  -9.613  -4.038
   65    HB   ILE   8           HB       ILE   8  -4.677  -8.718  -1.252
   66   1HG1  ILE   8          2HG1      ILE   8  -3.924 -11.493  -2.107
   67   2HG1  ILE   8          3HG1      ILE   8  -2.684 -10.267  -1.820
   68   1HG2  ILE   8          2HG2      ILE   8  -6.109 -10.785  -2.990
   69   2HG2  ILE   8          3HG2      ILE   8  -6.381 -10.578  -1.250
   70   3HG2  ILE   8          1HG2      ILE   8  -6.826  -9.289  -2.359
   71   1HD1  ILE   8           HD2      ILE   8  -4.748 -11.101   0.244
   72   2HD1  ILE   8           HD3      ILE   8  -3.055 -11.619   0.183
   73   3HD1  ILE   8           HD1      ILE   8  -3.441  -9.904   0.435
   74    H    THR   9           HN       THR   9  -4.448  -8.260  -5.788
   75    HA   THR   9           HA       THR   9  -6.319  -6.063  -5.507
   76    HB   THR   9           HB       THR   9  -6.131  -6.030  -7.945
   77    HG1  THR   9           HG1      THR   9  -5.676  -8.365  -8.189
   78   1HG2  THR   9          1HG2      THR   9  -3.457  -6.315  -6.494
   79   2HG2  THR   9          2HG2      THR   9  -3.651  -5.620  -8.111
   80   3HG2  THR   9          3HG2      THR   9  -4.388  -4.804  -6.723
   81    HA   PRO  10           HA       PRO  10 -10.032  -8.460  -6.103
   82   1HB   PRO  10          2HB       PRO  10 -10.970  -6.672  -8.212
   83   2HB   PRO  10          3HB       PRO  10 -11.698  -7.036  -6.614
   84   1HG   PRO  10          2HG       PRO  10 -10.412  -4.748  -7.380
   85   2HG   PRO  10          3HG       PRO  10 -10.521  -5.231  -5.670
   86   1HD   PRO  10          2HD       PRO  10  -8.228  -5.265  -7.446
   87   2HD   PRO  10          3HD       PRO  10  -8.272  -5.305  -5.722
   88    H    ASP  11           HN       ASP  11  -8.242  -7.412  -8.954
   89    HA   ASP  11           HA       ASP  11  -9.099  -9.033 -11.047
   90   1HB   ASP  11          2HB       ASP  11  -6.436  -7.809 -10.195
   91   2HB   ASP  11          3HB       ASP  11  -6.550  -8.814 -11.624
   92    H    GLY  12           HN       GLY  12  -7.158  -9.750  -8.223
   93   1HA   GLY  12          2HA       GLY  12  -7.248 -11.845  -7.351
   94   2HA   GLY  12          3HA       GLY  12  -7.035 -12.642  -8.931
   95    H    GLU  13           HN       GLU  13  -5.449 -10.223  -6.872
   96    HA   GLU  13           HA       GLU  13  -3.397  -9.944  -5.999
   97   1HB   GLU  13          2HB       GLU  13  -3.011 -12.790  -6.873
   98   2HB   GLU  13          3HB       GLU  13  -1.789 -11.844  -6.036
   99   1HG   GLU  13          2HG       GLU  13  -2.948 -11.674  -4.102
  100   2HG   GLU  13          3HG       GLU  13  -4.514 -12.170  -4.794
  101    H    VAL  14           HN       VAL  14  -1.395  -9.253  -6.422
  102    HA   VAL  14           HA       VAL  14   0.003 -10.058  -8.834
  103    HB   VAL  14           HB       VAL  14  -1.475  -8.343  -9.632
  104   1HG1  VAL  14          3HG1      VAL  14  -1.665  -6.947  -7.617
  105   2HG1  VAL  14          1HG1      VAL  14  -0.077  -6.242  -7.997
  106   3HG1  VAL  14          2HG1      VAL  14  -1.429  -6.061  -9.125
  107   1HG2  VAL  14          1HG2      VAL  14   0.676  -8.720 -10.719
  108   2HG2  VAL  14          2HG2      VAL  14   0.119  -7.045 -10.856
  109   3HG2  VAL  14          3HG2      VAL  14   1.401  -7.468  -9.684
  110    H    GLU  15           HN       GLU  15   1.595 -10.895  -7.579
  111    HA   GLU  15           HA       GLU  15   2.959  -9.314  -5.608
  112   1HB   GLU  15          2HB       GLU  15   3.524 -11.993  -6.949
  113   2HB   GLU  15          3HB       GLU  15   4.754 -11.193  -5.961
  114   1HG   GLU  15          2HG       GLU  15   3.283 -11.071  -4.062
  115   2HG   GLU  15          3HG       GLU  15   1.966 -11.871  -4.978
  116    H    PHE  16           HN       PHE  16   4.872  -8.303  -5.702
  117    HA   PHE  16           HA       PHE  16   6.446  -8.191  -8.158
  118   1HB   PHE  16          2HB       PHE  16   6.107  -6.124  -8.863
  119   2HB   PHE  16          3HB       PHE  16   4.494  -6.695  -8.545
  120    HD1  PHE  16           HD1      PHE  16   3.570  -6.036  -6.103
  121    HD2  PHE  16           HD2      PHE  16   6.963  -4.167  -8.010
  122    HE1  PHE  16           HE1      PHE  16   3.473  -4.192  -4.516
  123    HE2  PHE  16           HE2      PHE  16   6.860  -2.372  -6.428
  124    HZ   PHE  16           HZ       PHE  16   4.997  -2.193  -4.789
  125    H    LYS  17           HN       LYS  17   8.224  -6.397  -7.950
  126    HA   LYS  17           HA       LYS  17   9.438  -6.861  -5.253
  127   1HB   LYS  17          2HB       LYS  17  10.445  -7.012  -8.004
  128   2HB   LYS  17          3HB       LYS  17  11.434  -5.973  -7.001
  129   1HG   LYS  17          2HG       LYS  17  12.106  -8.396  -7.143
  130   2HG   LYS  17          3HG       LYS  17  12.025  -7.713  -5.510
  131   1HD   LYS  17          2HD       LYS  17  10.168  -8.955  -4.886
  132   2HD   LYS  17          3HD       LYS  17   9.544  -8.984  -6.522
  133   1HE   LYS  17          2HE       LYS  17  10.169 -11.236  -5.884
  134   2HE   LYS  17          3HE       LYS  17  11.225 -10.674  -7.187
  135   1HZ   LYS  17          2HNZ      LYS  17  11.907 -10.722  -4.314
  136   2HZ   LYS  17          3HNZ      LYS  17  12.454 -11.775  -5.451
  137   3HZ   LYS  17          1HNZ      LYS  17  12.900 -10.191  -5.515
  138    H    CYS  18           HN       CYS  18   9.591  -5.154  -3.957
  139    HA   CYS  18           HA       CYS  18   9.339  -2.393  -5.168
  140   1HB   CYS  18          2HB       CYS  18   7.265  -3.230  -4.033
  141   2HB   CYS  18          3HB       CYS  18   8.209  -3.179  -2.544
  142    HG   CYS  18           HSG      CYS  18   8.963  -0.645  -2.789
  143    H    ASP  19           HN       ASP  19  11.041  -1.111  -4.759
  144    HA   ASP  19           HA       ASP  19  13.122  -1.972  -2.989
  145   1HB   ASP  19          2HB       ASP  19  12.747   0.781  -4.146
  146   2HB   ASP  19          3HB       ASP  19  14.210   0.044  -3.471
  147    H    ASP  20           HN       ASP  20  13.659  -1.322  -1.123
  148    HA   ASP  20           HA       ASP  20  11.855  -0.587   0.941
  149   1HB   ASP  20          2HB       ASP  20  14.186  -0.452   2.218
  150   2HB   ASP  20          3HB       ASP  20  13.509  -1.976   1.671
  151    H    ASP  21           HN       ASP  21  13.680   1.209  -1.268
  152    HA   ASP  21           HA       ASP  21  13.462   3.742   0.285
  153   1HB   ASP  21          2HB       ASP  21  15.182   2.956  -2.112
  154   2HB   ASP  21          3HB       ASP  21  15.147   4.540  -1.341
  155    H    VAL  22           HN       VAL  22  11.391   2.090  -1.640
  156    HA   VAL  22           HA       VAL  22  10.543   4.577  -2.991
  157    HB   VAL  22           HB       VAL  22  11.907   2.899  -4.499
  158   1HG1  VAL  22          2HG1      VAL  22  10.321   0.943  -3.848
  159   2HG1  VAL  22          3HG1      VAL  22   9.147   1.699  -4.929
  160   3HG1  VAL  22          1HG1      VAL  22  10.732   1.174  -5.537
  161   1HG2  VAL  22          1HG2      VAL  22  10.828   4.930  -5.302
  162   2HG2  VAL  22          2HG2      VAL  22  10.576   3.587  -6.436
  163   3HG2  VAL  22          3HG2      VAL  22   9.261   4.095  -5.357
  164    H    TYR  23           HN       TYR  23   8.322   4.566  -3.627
  165    HA   TYR  23           HA       TYR  23   6.721   3.569  -1.476
  166   1HB   TYR  23          2HB       TYR  23   6.004   4.961  -4.051
  167   2HB   TYR  23          3HB       TYR  23   4.919   4.803  -2.657
  168    HD1  TYR  23           HD2      TYR  23   6.175   5.676  -0.357
  169    HD2  TYR  23           HD1      TYR  23   7.023   6.982  -4.373
  170    HE1  TYR  23           HE2      TYR  23   6.875   7.901   0.506
  171    HE2  TYR  23           HE1      TYR  23   8.008   9.075  -3.483
  172    HH   TYR  23           HOH      TYR  23   8.545  10.269  -1.564
  173    H    VAL  24           HN       VAL  24   5.003   2.016  -1.595
  174    HA   VAL  24           HA       VAL  24   5.149  -0.007  -3.683
  175    HB   VAL  24           HB       VAL  24   2.779   0.317  -1.837
  176   1HG1  VAL  24          2HG1      VAL  24   2.967  -1.524  -3.648
  177   2HG1  VAL  24          3HG1      VAL  24   4.358  -2.120  -2.703
  178   3HG1  VAL  24          1HG1      VAL  24   2.736  -2.099  -1.979
  179   1HG2  VAL  24          3HG2      VAL  24   5.517  -0.612  -1.002
  180   2HG2  VAL  24          1HG2      VAL  24   4.362   0.473  -0.176
  181   3HG2  VAL  24          2HG2      VAL  24   4.028  -1.246  -0.252
  182    H    LEU  25           HN       LEU  25   4.971   1.726  -5.288
  183    HA   LEU  25           HA       LEU  25   2.630   1.150  -6.743
  184   1HB   LEU  25          2HB       LEU  25   1.482   3.054  -7.084
  185   2HB   LEU  25          3HB       LEU  25   1.820   3.224  -5.364
  186    HG   LEU  25           HG       LEU  25   3.387   4.603  -7.631
  187   1HD1  LEU  25          1HD1      LEU  25   1.180   5.554  -5.859
  188   2HD1  LEU  25          2HD1      LEU  25   2.185   6.606  -6.896
  189   3HD1  LEU  25          3HD1      LEU  25   1.140   5.371  -7.636
  190   1HD2  LEU  25          1HD2      LEU  25   4.309   4.206  -5.100
  191   2HD2  LEU  25          2HD2      LEU  25   4.602   5.718  -5.998
  192   3HD2  LEU  25          3HD2      LEU  25   3.301   5.616  -4.804
  193    H    ASP  26           HN       ASP  26   5.450   3.274  -6.391
  194    HA   ASP  26           HA       ASP  26   5.775   4.050  -9.022
  195   1HB   ASP  26          2HB       ASP  26   6.982   4.722  -6.794
  196   2HB   ASP  26          3HB       ASP  26   8.137   3.464  -7.222
  197    H    GLN  27           HN       GLN  27   7.471   1.400  -7.337
  198    HA   GLN  27           HA       GLN  27   8.540   0.266  -9.722
  199   1HB   GLN  27          2HB       GLN  27   8.222  -0.682  -6.874
  200   2HB   GLN  27          3HB       GLN  27   8.635  -1.873  -8.126
  201   1HG   GLN  27          2HG       GLN  27  10.206   0.655  -7.564
  202   2HG   GLN  27          3HG       GLN  27  10.618  -0.971  -6.973
  203   1HE2  GLN  27          2HNE      GLN  27  11.662   0.214 -10.719
  204   2HE2  GLN  27          1HNE      GLN  27  11.065   1.269  -9.451
  205    H    ALA  28           HN       ALA  28   5.441  -0.105  -8.069
  206    HA   ALA  28           HA       ALA  28   4.648  -2.561  -9.226
  207   1HB   ALA  28          1HB       ALA  28   3.534  -1.084  -7.360
  208   2HB   ALA  28          2HB       ALA  28   2.630  -0.396  -8.743
  209   3HB   ALA  28          3HB       ALA  28   2.558  -2.129  -8.391
  210    H    GLU  29           HN       GLU  29   3.928   0.822 -10.237
  211    HA   GLU  29           HA       GLU  29   2.728   0.234 -12.698
  212   1HB   GLU  29          2HB       GLU  29   4.231   2.707 -11.727
  213   2HB   GLU  29          3HB       GLU  29   3.345   2.619 -13.260
  214   1HG   GLU  29          2HG       GLU  29   1.255   2.081 -12.072
  215   2HG   GLU  29          3HG       GLU  29   2.093   2.133 -10.516
  216    H    GLU  30           HN       GLU  30   6.231   0.775 -11.851
  217    HA   GLU  30           HA       GLU  30   7.284   0.417 -14.442
  218   1HB   GLU  30          2HB       GLU  30   8.509  -0.493 -11.842
  219   2HB   GLU  30          3HB       GLU  30   9.314  -0.455 -13.388
  220   1HG   GLU  30          2HG       GLU  30   8.045   2.148 -12.692
  221   2HG   GLU  30          3HG       GLU  30   9.307   1.628 -11.578
  222    H    GLU  31           HN       GLU  31   6.181  -2.146 -12.210
  223    HA   GLU  31           HA       GLU  31   7.030  -4.210 -14.096
  224   1HB   GLU  31          2HB       GLU  31   5.040  -4.534 -11.840
  225   2HB   GLU  31          3HB       GLU  31   6.051  -5.765 -12.606
  226   1HG   GLU  31          2HG       GLU  31   7.762  -3.639 -11.682
  227   2HG   GLU  31          3HG       GLU  31   6.615  -3.943 -10.419
  228    H    GLY  32           HN       GLY  32   4.298  -2.191 -13.662
  229   1HA   GLY  32          2HA       GLY  32   2.970  -1.727 -15.677
  230   2HA   GLY  32          3HA       GLY  32   2.825  -3.465 -15.962
  231    H    ILE  33           HN       ILE  33   2.686  -2.581 -12.617
  232    HA   ILE  33           HA       ILE  33  -0.037  -3.558 -12.489
  233    HB   ILE  33           HB       ILE  33   1.823  -2.427 -10.396
  234   1HG1  ILE  33          2HG1      ILE  33   1.251  -5.250 -11.311
  235   2HG1  ILE  33          3HG1      ILE  33   2.757  -4.377 -11.572
  236   1HG2  ILE  33          2HG2      ILE  33  -0.495  -2.349  -9.643
  237   2HG2  ILE  33          3HG2      ILE  33  -0.719  -4.059 -10.068
  238   3HG2  ILE  33          1HG2      ILE  33   0.383  -3.575  -8.756
  239   1HD1  ILE  33           HD3      ILE  33   3.231  -4.301  -9.182
  240   2HD1  ILE  33           HD1      ILE  33   1.783  -5.273  -8.851
  241   3HD1  ILE  33           HD2      ILE  33   3.078  -5.929  -9.864
  242    H    ASP  34           HN       ASP  34  -1.860  -2.462 -12.408
  243    HA   ASP  34           HA       ASP  34  -1.935   0.466 -11.828
  244   1HB   ASP  34          2HB       ASP  34  -3.139  -0.421 -13.845
  245   2HB   ASP  34          3HB       ASP  34  -4.134  -1.429 -12.777
  246    H    ILE  35           HN       ILE  35  -2.509   1.113  -9.873
  247    HA   ILE  35           HA       ILE  35  -4.397  -0.409  -8.346
  248    HB   ILE  35           HB       ILE  35  -3.106  -0.019  -6.196
  249   1HG1  ILE  35          2HG1      ILE  35  -0.669   0.197  -7.995
  250   2HG1  ILE  35          3HG1      ILE  35  -1.381   1.487  -7.015
  251   1HG2  ILE  35          3HG2      ILE  35  -3.494  -2.246  -7.278
  252   2HG2  ILE  35          1HG2      ILE  35  -1.884  -2.112  -8.003
  253   3HG2  ILE  35          2HG2      ILE  35  -2.072  -2.159  -6.252
  254   1HD1  ILE  35           HD3      ILE  35  -0.991  -0.039  -4.962
  255   2HD1  ILE  35           HD1      ILE  35   0.044  -1.002  -6.036
  256   3HD1  ILE  35           HD2      ILE  35   0.426   0.685  -5.727
  257    HA   PRO  36           HA       PRO  36  -5.900   3.642  -7.870
  258   1HB   PRO  36          2HB       PRO  36  -7.238   3.601  -5.461
  259   2HB   PRO  36          3HB       PRO  36  -7.793   2.776  -6.945
  260   1HG   PRO  36          2HG       PRO  36  -6.244   1.567  -4.652
  261   2HG   PRO  36          3HG       PRO  36  -7.731   0.951  -5.450
  262   1HD   PRO  36          2HD       PRO  36  -5.312   0.018  -6.151
  263   2HD   PRO  36          3HD       PRO  36  -6.539   0.352  -7.415
  264    H    TYR  37           HN       TYR  37  -3.767   4.610  -7.767
  265    HA   TYR  37           HA       TYR  37  -2.699   5.360  -5.141
  266   1HB   TYR  37          2HB       TYR  37  -1.127   5.059  -6.926
  267   2HB   TYR  37          3HB       TYR  37  -2.012   6.156  -7.988
  268    HD1  TYR  37           HD2      TYR  37  -1.020   6.627  -4.384
  269    HD2  TYR  37           HD1      TYR  37  -0.479   7.914  -8.458
  270    HE1  TYR  37           HE2      TYR  37   0.543   8.385  -3.618
  271    HE2  TYR  37           HE1      TYR  37   1.118   9.638  -7.694
  272    HH   TYR  37           HOH      TYR  37   2.577  10.134  -5.850
  273    H    SER  38           HN       SER  38  -4.335   7.061  -7.842
  274    HA   SER  38           HA       SER  38  -5.340   9.090  -7.987
  275   1HB   SER  38          2HB       SER  38  -6.714   7.968  -6.068
  276   2HB   SER  38          3HB       SER  38  -5.791   9.033  -5.001
  277    HG   SER  38           HOG      SER  38  -7.608  10.120  -5.539
  278    H    CYS  39           HN       CYS  39  -5.547  11.134  -6.183
  279    HA   CYS  39           HA       CYS  39  -4.515  13.193  -5.874
  280   1HB   CYS  39          2HB       CYS  39  -3.138  11.593  -3.807
  281   2HB   CYS  39          3HB       CYS  39  -3.923  13.149  -3.615
  282    H    ARG  40           HN       ARG  40  -1.895  13.030  -4.202
  283    HA   ARG  40           HA       ARG  40   0.067  11.641  -5.299
  284   1HB   ARG  40          2HB       ARG  40   0.275  12.808  -7.338
  285   2HB   ARG  40          3HB       ARG  40   0.066  14.392  -6.563
  286   1HG   ARG  40          2HG       ARG  40   2.267  14.283  -5.587
  287   2HG   ARG  40          3HG       ARG  40   2.488  12.592  -6.095
  288   1HD   ARG  40          2HD       ARG  40   2.583  13.214  -8.409
  289   2HD   ARG  40          3HD       ARG  40   2.004  14.861  -8.048
  290    HE   ARG  40           HNE      ARG  40   4.418  14.339  -6.605
  291   1HH1  ARG  40          2HN2      ARG  40   3.322  14.893  -9.894
  292   2HH1  ARG  40          1HN2      ARG  40   4.707  15.812 -10.400
  293   1HH2  ARG  40          2HN1      ARG  40   6.288  15.581  -7.206
  294   2HH2  ARG  40          1HN1      ARG  40   6.451  16.193  -8.818
  295    H    ALA  41           HN       ALA  41   1.702  11.592  -3.785
  296    HA   ALA  41           HA       ALA  41   3.099  12.181  -2.132
  297   1HB   ALA  41          2HB       ALA  41   3.610  14.145  -3.478
  298   2HB   ALA  41          3HB       ALA  41   2.350  15.073  -2.632
  299   3HB   ALA  41          1HB       ALA  41   3.746  14.462  -1.739
  300    H    GLY  42           HN       GLY  42   1.829  11.000  -0.701
  301   1HA   GLY  42          2HA       GLY  42   0.113  10.977   1.110
  302   2HA   GLY  42          3HA       GLY  42   1.789  11.011   1.655
  303    H    SER  43           HN       SER  43  -1.019  13.058   1.086
  304    HA   SER  43           HA       SER  43  -0.767  14.546   3.533
  305   1HB   SER  43          2HB       SER  43   1.044  15.554   1.935
  306   2HB   SER  43          3HB       SER  43  -0.318  16.139   0.975
  307    HG   SER  43           HOG      SER  43   0.402  17.675   2.519
  308    H    CYS  44           HN       CYS  44  -2.715  12.888   2.475
  309    HA   CYS  44           HA       CYS  44  -4.992  14.485   1.611
  310   1HB   CYS  44          2HB       CYS  44  -5.061  13.083  -0.523
  311   2HB   CYS  44          3HB       CYS  44  -3.904  14.399  -0.438
  312    H    SER  45           HN       SER  45  -6.800  12.818   1.071
  313    HA   SER  45           HA       SER  45  -6.664  10.551   3.001
  314   1HB   SER  45          2HB       SER  45  -8.720  12.786   3.137
  315   2HB   SER  45          3HB       SER  45  -8.604  11.366   4.188
  316    HG   SER  45           HOG      SER  45  -6.280  12.296   4.423
  317    H    SER  46           HN       SER  46  -6.869   9.072   1.351
  318    HA   SER  46           HA       SER  46  -9.470   8.255   0.697
  319   1HB   SER  46          2HB       SER  46  -9.249  10.076  -1.065
  320   2HB   SER  46          3HB       SER  46  -7.811   9.245  -1.675
  321    HG   SER  46           HOG      SER  46 -10.487   8.232  -1.553
  322    H    CYS  47           HN       CYS  47  -8.502   6.732  -1.557
  323    HA   CYS  47           HA       CYS  47  -7.591   4.564  -1.728
  324   1HB   CYS  47          2HB       CYS  47  -5.236   5.257  -2.652
  325   2HB   CYS  47          3HB       CYS  47  -6.789   5.539  -3.419
  326    H    ALA  48           HN       ALA  48  -7.069   2.852  -0.631
  327    HA   ALA  48           HA       ALA  48  -4.763   2.781   1.223
  328   1HB   ALA  48          2HB       ALA  48  -7.635   2.518   2.146
  329   2HB   ALA  48          3HB       ALA  48  -6.203   2.077   3.103
  330   3HB   ALA  48          1HB       ALA  48  -6.442   3.760   2.600
  331    H    GLY  49           HN       GLY  49  -4.659   0.620   2.272
  332   1HA   GLY  49          2HA       GLY  49  -5.849  -1.590   0.750
  333   2HA   GLY  49          3HA       GLY  49  -4.091  -1.508   0.899
  334    H    LYS  50           HN       LYS  50  -5.515  -3.695   1.964
  335    HA   LYS  50           HA       LYS  50  -5.569  -3.336   4.841
  336   1HB   LYS  50          2HB       LYS  50  -7.302  -4.446   3.229
  337   2HB   LYS  50          3HB       LYS  50  -6.298  -5.884   3.390
  338   1HG   LYS  50          2HG       LYS  50  -6.667  -6.011   5.759
  339   2HG   LYS  50          3HG       LYS  50  -7.245  -4.333   5.807
  340   1HD   LYS  50          2HD       LYS  50  -9.078  -5.016   4.211
  341   2HD   LYS  50          3HD       LYS  50  -8.699  -6.714   4.612
  342   1HE   LYS  50          2HE       LYS  50  -9.184  -6.292   7.001
  343   2HE   LYS  50          3HE       LYS  50  -9.218  -4.573   6.737
  344   1HZ   LYS  50          1HNZ      LYS  50 -11.132  -4.934   5.191
  345   2HZ   LYS  50          2HNZ      LYS  50 -11.311  -6.421   5.876
  346   3HZ   LYS  50          3HNZ      LYS  50 -11.404  -5.028   6.778
  347    H    VAL  51           HN       VAL  51  -3.670  -3.816   5.942
  348    HA   VAL  51           HA       VAL  51  -1.455  -5.290   4.766
  349    HB   VAL  51           HB       VAL  51  -2.049  -4.543   7.690
  350   1HG1  VAL  51          1HG1      VAL  51   0.593  -5.324   6.376
  351   2HG1  VAL  51          2HG1      VAL  51   0.369  -4.771   8.051
  352   3HG1  VAL  51          3HG1      VAL  51  -0.331  -6.308   7.537
  353   1HG2  VAL  51          1HG2      VAL  51  -0.382  -3.058   5.632
  354   2HG2  VAL  51          2HG2      VAL  51  -1.929  -2.527   6.356
  355   3HG2  VAL  51          3HG2      VAL  51  -0.484  -2.640   7.356
  356    H    VAL  52           HN       VAL  52  -1.557  -7.430   4.429
  357    HA   VAL  52           HA       VAL  52  -3.253  -9.167   6.148
  358    HB   VAL  52           HB       VAL  52  -1.536  -9.706   3.725
  359   1HG1  VAL  52          1HG1      VAL  52  -3.530 -11.522   5.157
  360   2HG1  VAL  52          2HG1      VAL  52  -2.735 -11.891   3.611
  361   3HG1  VAL  52          3HG1      VAL  52  -1.770 -11.767   5.084
  362   1HG2  VAL  52          3HG2      VAL  52  -4.515  -9.244   4.065
  363   2HG2  VAL  52          1HG2      VAL  52  -3.359  -8.378   3.025
  364   3HG2  VAL  52          2HG2      VAL  52  -3.829 -10.041   2.643
  365    H    SER  53           HN       SER  53   0.209  -8.580   5.280
  366    HA   SER  53           HA       SER  53   1.084  -9.510   7.866
  367   1HB   SER  53          2HB       SER  53   0.690 -11.705   6.668
  368   2HB   SER  53          3HB       SER  53   1.891 -11.201   5.458
  369    HG   SER  53           HOG      SER  53   2.823 -12.469   7.144
  370    H    GLY  54           HN       GLY  54   3.626  -9.770   7.631
  371   1HA   GLY  54          2HA       GLY  54   5.619  -8.570   7.352
  372   2HA   GLY  54          3HA       GLY  54   4.956  -7.853   5.889
  373    H    SER  55           HN       SER  55   6.146  -5.915   6.833
  374    HA   SER  55           HA       SER  55   4.145  -4.196   8.114
  375   1HB   SER  55          2HB       SER  55   7.048  -4.075   8.956
  376   2HB   SER  55          3HB       SER  55   5.654  -3.305   9.717
  377    HG   SER  55           HOG      SER  55   6.456  -5.198  10.855
  378    H    ILE  56           HN       ILE  56   4.525  -1.955   7.367
  379    HA   ILE  56           HA       ILE  56   6.794  -1.435   5.636
  380    HB   ILE  56           HB       ILE  56   5.402  -0.526   3.888
  381   1HG1  ILE  56          2HG1      ILE  56   2.961  -1.610   5.315
  382   2HG1  ILE  56          3HG1      ILE  56   3.383   0.087   5.098
  383   1HG2  ILE  56          2HG2      ILE  56   6.039  -3.063   3.972
  384   2HG2  ILE  56          3HG2      ILE  56   4.332  -3.294   4.337
  385   3HG2  ILE  56          1HG2      ILE  56   4.825  -2.557   2.794
  386   1HD1  ILE  56           HD1      ILE  56   3.509  -0.540   2.516
  387   2HD1  ILE  56           HD2      ILE  56   2.576  -1.971   2.995
  388   3HD1  ILE  56           HD3      ILE  56   1.914  -0.358   3.222
  389    H    ASP  57           HN       ASP  57   6.963   0.946   5.335
  390    HA   ASP  57           HA       ASP  57   6.030   2.354   7.803
  391   1HB   ASP  57          2HB       ASP  57   8.447   2.236   7.627
  392   2HB   ASP  57          3HB       ASP  57   8.400   2.801   5.948
  393    H    GLN  58           HN       GLN  58   4.131   3.289   7.296
  394    HA   GLN  58           HA       GLN  58   3.964   4.982   4.834
  395   1HB   GLN  58          2HB       GLN  58   1.532   4.985   5.398
  396   2HB   GLN  58          3HB       GLN  58   2.174   3.406   4.923
  397   1HG   GLN  58          2HG       GLN  58   2.167   2.609   7.148
  398   2HG   GLN  58          3HG       GLN  58   2.024   4.231   7.839
  399   1HE2  GLN  58          2HNE      GLN  58  -1.224   2.427   8.033
  400   2HE2  GLN  58          1HNE      GLN  58   0.421   2.150   8.582
  401    H    SER  59           HN       SER  59   5.649   5.798   7.165
  402    HA   SER  59           HA       SER  59   4.420   7.649   8.785
  403   1HB   SER  59          2HB       SER  59   7.062   7.924   7.284
  404   2HB   SER  59          3HB       SER  59   6.523   9.015   8.577
  405    HG   SER  59           HOG      SER  59   6.994   6.222   8.749
  406    H    ASP  60           HN       ASP  60   5.052   8.026   5.314
  407    HA   ASP  60           HA       ASP  60   4.058  10.779   5.158
  408   1HB   ASP  60          2HB       ASP  60   4.790   8.688   3.075
  409   2HB   ASP  60          3HB       ASP  60   4.251  10.331   2.684
  410    H    GLN  61           HN       GLN  61   2.197   9.325   6.495
  411    HA   GLN  61           HA       GLN  61  -0.032   8.846   4.596
  412   1HB   GLN  61          2HB       GLN  61  -1.218   7.891   6.498
  413   2HB   GLN  61          3HB       GLN  61   0.291   7.073   6.124
  414   1HG   GLN  61          2HG       GLN  61   1.321   8.537   8.078
  415   2HG   GLN  61          3HG       GLN  61  -0.368   8.796   8.540
  416   1HE2  GLN  61          2HNE      GLN  61  -0.770   5.117   9.000
  417   2HE2  GLN  61          1HNE      GLN  61  -1.496   6.346   7.969
  418    H    SER  62           HN       SER  62   0.407  10.592   7.687
  419    HA   SER  62           HA       SER  62  -1.028  12.077   8.684
  420   1HB   SER  62          2HB       SER  62  -0.705  13.409   5.960
  421   2HB   SER  62          3HB       SER  62  -1.205  14.216   7.456
  422    HG   SER  62           HOG      SER  62   0.835  13.498   8.363
  423    H    PHE  63           HN       PHE  63  -2.497   9.910   7.886
  424    HA   PHE  63           HA       PHE  63  -5.121  11.091   7.461
  425   1HB   PHE  63          2HB       PHE  63  -4.605  10.933   5.190
  426   2HB   PHE  63          3HB       PHE  63  -3.826   9.367   5.353
  427    HD1  PHE  63           HD2      PHE  63  -7.243  10.320   6.733
  428    HD2  PHE  63           HD1      PHE  63  -5.019   8.122   3.729
  429    HE1  PHE  63           HE2      PHE  63  -9.263   9.065   6.133
  430    HE2  PHE  63           HE1      PHE  63  -6.976   6.707   3.359
  431    HZ   PHE  63           HZ       PHE  63  -9.154   7.269   4.410
  432    H    LEU  64           HN       LEU  64  -3.776   7.686   7.083
  433    HA   LEU  64           HA       LEU  64  -6.110   6.719   8.182
  434   1HB   LEU  64          2HB       LEU  64  -3.371   5.356   8.071
  435   2HB   LEU  64          3HB       LEU  64  -4.800   4.592   8.701
  436    HG   LEU  64           HG       LEU  64  -5.967   5.157   6.450
  437   1HD1  LEU  64          1HD1      LEU  64  -3.041   5.252   5.625
  438   2HD1  LEU  64          2HD1      LEU  64  -4.440   5.163   4.525
  439   3HD1  LEU  64          3HD1      LEU  64  -4.176   6.608   5.498
  440   1HD2  LEU  64          2HD2      LEU  64  -3.753   3.105   6.782
  441   2HD2  LEU  64          3HD2      LEU  64  -5.451   2.919   7.255
  442   3HD2  LEU  64          1HD2      LEU  64  -5.030   3.020   5.536
  443    H    ASP  65           HN       ASP  65  -6.808   6.038  10.165
  444    HA   ASP  65           HA       ASP  65  -5.460   7.236  12.447
  445   1HB   ASP  65          2HB       ASP  65  -7.957   5.518  12.452
  446   2HB   ASP  65          3HB       ASP  65  -7.473   6.721  13.656
  447    H    ASP  66           HN       ASP  66  -5.272   6.000  14.503
  448    HA   ASP  66           HA       ASP  66  -3.513   3.797  14.368
  449   1HB   ASP  66          2HB       ASP  66  -5.372   4.777  16.591
  450   2HB   ASP  66          3HB       ASP  66  -4.152   3.512  16.793
  451    H    GLU  67           HN       GLU  67  -7.025   4.051  14.806
  452    HA   GLU  67           HA       GLU  67  -7.671   1.407  15.299
  453   1HB   GLU  67          2HB       GLU  67  -9.512   2.972  13.465
  454   2HB   GLU  67          3HB       GLU  67  -9.839   2.024  14.914
  455   1HG   GLU  67          2HG       GLU  67  -8.655   3.945  16.176
  456   2HG   GLU  67          3HG       GLU  67  -8.871   4.859  14.665
  457    H    GLN  68           HN       GLN  68  -7.799   3.037  12.082
  458    HA   GLN  68           HA       GLN  68  -8.195   0.814  10.521
  459   1HB   GLN  68          2HB       GLN  68  -6.622   3.323   9.919
  460   2HB   GLN  68          3HB       GLN  68  -7.174   2.173   8.695
  461   1HG   GLN  68          2HG       GLN  68  -9.469   2.491   9.185
  462   2HG   GLN  68          3HG       GLN  68  -9.109   3.508  10.582
  463   1HE2  GLN  68          2HNE      GLN  68  -9.927   5.723   7.774
  464   2HE2  GLN  68          1HNE      GLN  68 -10.784   4.437   8.590
  465    H    MET  69           HN       MET  69  -4.956   2.249  11.423
  466    HA   MET  69           HA       MET  69  -3.364   0.361  10.078
  467   1HB   MET  69          2HB       MET  69  -2.816   1.843  12.668
  468   2HB   MET  69          3HB       MET  69  -1.645   0.932  11.708
  469   1HG   MET  69          2HG       MET  69  -2.261   2.432   9.724
  470   2HG   MET  69          3HG       MET  69  -3.228   3.347  10.821
  471   1HE   MET  69           HE2      MET  69  -2.289   5.540  10.652
  472   2HE   MET  69           HE3      MET  69  -2.395   5.160  12.387
  473   3HE   MET  69           HE1      MET  69  -0.981   6.042  11.752
  474    H    ASP  70           HN       ASP  70  -4.391   0.226  13.519
  475    HA   ASP  70           HA       ASP  70  -3.255  -2.271  14.189
  476   1HB   ASP  70          2HB       ASP  70  -4.174  -0.552  15.794
  477   2HB   ASP  70          3HB       ASP  70  -5.800  -0.960  15.259
  478    H    ALA  71           HN       ALA  71  -6.391  -1.368  12.934
  479    HA   ALA  71           HA       ALA  71  -7.734  -3.876  13.027
  480   1HB   ALA  71          3HB       ALA  71  -8.107  -1.424  11.275
  481   2HB   ALA  71          1HB       ALA  71  -9.281  -2.757  11.384
  482   3HB   ALA  71          2HB       ALA  71  -8.923  -1.757  12.811
  483    H    GLY  72           HN       GLY  72  -5.290  -2.659  10.828
  484   1HA   GLY  72          2HA       GLY  72  -4.070  -4.402   9.681
  485   2HA   GLY  72          3HA       GLY  72  -5.574  -5.151   9.196
  486    H    TYR  73           HN       TYR  73  -5.045  -1.578   9.095
  487    HA   TYR  73           HA       TYR  73  -5.143  -1.774   6.113
  488   1HB   TYR  73          2HB       TYR  73  -6.282   0.320   7.920
  489   2HB   TYR  73          3HB       TYR  73  -6.239   0.383   6.168
  490    HD1  TYR  73           HD2      TYR  73  -7.307  -1.474   4.799
  491    HD2  TYR  73           HD1      TYR  73  -8.121  -0.870   8.984
  492    HE1  TYR  73           HE2      TYR  73  -9.517  -2.467   4.509
  493    HE2  TYR  73           HE1      TYR  73 -10.356  -1.854   8.698
  494    HH   TYR  73           HOH      TYR  73 -11.557  -2.972   5.519
  495    H    VAL  74           HN       VAL  74  -4.235   0.106   4.898
  496    HA   VAL  74           HA       VAL  74  -2.121   1.619   6.186
  497    HB   VAL  74           HB       VAL  74  -1.043  -0.523   6.003
  498   1HG1  VAL  74          3HG1      VAL  74  -1.788  -0.501   3.045
  499   2HG1  VAL  74          1HG1      VAL  74  -0.627  -1.604   3.794
  500   3HG1  VAL  74          2HG1      VAL  74  -2.335  -1.664   4.258
  501   1HG2  VAL  74          2HG2      VAL  74   0.135   1.676   5.300
  502   2HG2  VAL  74          3HG2      VAL  74   0.906   0.122   5.058
  503   3HG2  VAL  74          1HG2      VAL  74   0.129   0.966   3.686
  504    H    LEU  75           HN       LEU  75  -1.382   3.281   4.835
  505    HA   LEU  75           HA       LEU  75  -3.105   4.292   2.885
  506   1HB   LEU  75          2HB       LEU  75  -1.318   5.519   4.245
  507   2HB   LEU  75          3HB       LEU  75  -0.103   4.772   3.210
  508    HG   LEU  75           HG       LEU  75  -1.195   5.890   1.257
  509   1HD1  LEU  75          1HD1      LEU  75  -2.762   7.361   3.425
  510   2HD1  LEU  75          2HD1      LEU  75  -2.680   7.842   1.718
  511   3HD1  LEU  75          3HD1      LEU  75  -3.461   6.328   2.153
  512   1HD2  LEU  75          3HD2      LEU  75   0.395   7.083   3.381
  513   2HD2  LEU  75          1HD2      LEU  75   0.538   7.280   1.642
  514   3HD2  LEU  75          2HD2      LEU  75  -0.560   8.321   2.518
  515    H    THR  76           HN       THR  76   0.015   2.606   2.433
  516    HA   THR  76           HA       THR  76   0.884   1.426   0.711
  517    HB   THR  76           HB       THR  76  -1.700   1.657  -0.878
  518    HG1  THR  76           HG1      THR  76  -1.766   0.663   1.302
  519   1HG2  THR  76          2HG2      THR  76   0.310   0.962  -2.168
  520   2HG2  THR  76          3HG2      THR  76   0.593  -0.337  -0.981
  521   3HG2  THR  76          1HG2      THR  76  -0.872  -0.342  -1.980
  522    H    CYS  77           HN       CYS  77  -1.190   4.069  -0.518
  523    HA   CYS  77           HA       CYS  77  -0.163   4.976  -2.717
  524   1HB   CYS  77          2HB       CYS  77  -0.514   7.067  -0.555
  525   2HB   CYS  77          3HB       CYS  77  -0.841   7.124  -2.260
  526    H    HIS  78           HN       HIS  78   1.201   6.188   0.290
  527    HA   HIS  78           HA       HIS  78   3.933   6.333  -0.886
  528   1HB   HIS  78          2HB       HIS  78   2.372   8.435   0.601
  529   2HB   HIS  78          3HB       HIS  78   4.061   8.237   1.031
  530    HD1  HIS  78           HND      HIS  78   5.242  10.190   0.111
  531    HD2  HIS  78           HD       HIS  78   2.795   8.179  -2.664
  532    HE1  HIS  78           HE       HIS  78   5.709  11.229  -2.176
  533    H    ALA  79           HN       ALA  79   3.365   3.979   0.055
  534    HA   ALA  79           HA       ALA  79   4.491   3.944   2.845
  535   1HB   ALA  79          1HB       ALA  79   2.276   2.842   2.550
  536   2HB   ALA  79          2HB       ALA  79   3.041   1.726   1.392
  537   3HB   ALA  79          3HB       ALA  79   3.580   1.764   3.087
  538    H    TYR  80           HN       TYR  80   6.420   2.996   3.180
  539    HA   TYR  80           HA       TYR  80   8.030   2.042   0.834
  540   1HB   TYR  80          2HB       TYR  80   8.766   2.890   3.655
  541   2HB   TYR  80          3HB       TYR  80   9.873   2.247   2.444
  542    HD1  TYR  80           HD1      TYR  80  10.316   3.474   0.347
  543    HD2  TYR  80           HD2      TYR  80   7.985   5.208   3.525
  544    HE1  TYR  80           HE1      TYR  80  10.632   5.718  -0.642
  545    HE2  TYR  80           HE2      TYR  80   8.387   7.462   2.597
  546    HH   TYR  80           HOH      TYR  80   9.266   8.668   0.817
  547    HA   PRO  81           HA       PRO  81   7.332  -2.004   2.720
  548   1HB   PRO  81          2HB       PRO  81   8.824  -3.481   0.858
  549   2HB   PRO  81          3HB       PRO  81   7.105  -3.040   0.728
  550   1HG   PRO  81          2HG       PRO  81   9.379  -1.919  -0.811
  551   2HG   PRO  81          3HG       PRO  81   7.619  -1.773  -1.057
  552   1HD   PRO  81          2HD       PRO  81   9.321   0.219   0.044
  553   2HD   PRO  81          3HD       PRO  81   7.566   0.247  -0.261
  554    H    THR  82           HN       THR  82   8.497  -2.449   4.666
  555    HA   THR  82           HA       THR  82  11.430  -2.048   4.575
  556    HB   THR  82           HB       THR  82  11.137  -2.244   7.068
  557    HG1  THR  82           HG1      THR  82   8.978  -1.939   7.775
  558   1HG2  THR  82          3HG2      THR  82  11.321  -0.085   5.814
  559   2HG2  THR  82          1HG2      THR  82   9.557  -0.055   5.627
  560   3HG2  THR  82          2HG2      THR  82  10.278   0.059   7.245
  561    H    SER  83           HN       SER  83   9.258  -4.650   4.199
  562    HA   SER  83           HA       SER  83  11.429  -6.469   4.012
  563   1HB   SER  83          2HB       SER  83   9.305  -6.936   6.181
  564   2HB   SER  83          3HB       SER  83  10.387  -8.205   5.595
  565    HG   SER  83           HOG      SER  83  11.700  -5.921   6.386
  566    H    ASP  84           HN       ASP  84  10.165  -8.822   3.608
  567    HA   ASP  84           HA       ASP  84   8.408  -8.467   1.372
  568   1HB   ASP  84          2HB       ASP  84   8.009 -10.913   1.767
  569   2HB   ASP  84          3HB       ASP  84   9.714 -10.495   1.554
  570    H    VAL  85           HN       VAL  85   6.239  -8.524   1.350
  571    HA   VAL  85           HA       VAL  85   4.688  -8.503   3.850
  572    HB   VAL  85           HB       VAL  85   5.774  -6.362   3.986
  573   1HG1  VAL  85          3HG1      VAL  85   6.439  -6.134   1.605
  574   2HG1  VAL  85          1HG1      VAL  85   4.766  -5.685   1.218
  575   3HG1  VAL  85          2HG1      VAL  85   5.755  -4.668   2.279
  576   1HG2  VAL  85          2HG2      VAL  85   2.878  -6.420   3.745
  577   2HG2  VAL  85          3HG2      VAL  85   3.920  -5.456   4.775
  578   3HG2  VAL  85          1HG2      VAL  85   3.489  -4.921   3.131
  579    H    VAL  86           HN       VAL  86   2.460  -8.396   3.627
  580    HA   VAL  86           HA       VAL  86   1.459  -8.898   0.861
  581    HB   VAL  86           HB       VAL  86   0.658 -10.378   3.405
  582   1HG1  VAL  86          2HG1      VAL  86  -1.158 -10.075   1.628
  583   2HG1  VAL  86          3HG1      VAL  86  -0.068 -10.864   0.507
  584   3HG1  VAL  86          1HG1      VAL  86  -0.692 -11.767   1.893
  585   1HG2  VAL  86          2HG2      VAL  86   2.336 -11.289   1.015
  586   2HG2  VAL  86          3HG2      VAL  86   2.876 -11.175   2.701
  587   3HG2  VAL  86          1HG2      VAL  86   1.666 -12.380   2.244
  588    H    ILE  87           HN       ILE  87  -0.069  -7.413   0.363
  589    HA   ILE  87           HA       ILE  87  -1.841  -6.474   2.492
  590    HB   ILE  87           HB       ILE  87  -0.254  -4.812   2.515
  591   1HG1  ILE  87          2HG1      ILE  87  -2.662  -3.990   2.029
  592   2HG1  ILE  87          3HG1      ILE  87  -1.316  -2.851   1.979
  593   1HG2  ILE  87          1HG2      ILE  87   0.073  -4.973  -0.428
  594   2HG2  ILE  87          2HG2      ILE  87   0.647  -3.600   0.542
  595   3HG2  ILE  87          3HG2      ILE  87   1.278  -5.231   0.846
  596   1HD1  ILE  87           HD3      ILE  87  -1.973  -4.283  -0.549
  597   2HD1  ILE  87           HD1      ILE  87  -3.022  -2.977  -0.047
  598   3HD1  ILE  87           HD2      ILE  87  -1.290  -2.670  -0.285
  599    H    GLU  88           HN       GLU  88  -3.901  -5.807   1.701
  600    HA   GLU  88           HA       GLU  88  -4.567  -6.698  -1.081
  601   1HB   GLU  88          2HB       GLU  88  -6.490  -5.923   1.057
  602   2HB   GLU  88          3HB       GLU  88  -6.826  -6.853  -0.413
  603   1HG   GLU  88          2HG       GLU  88  -5.738  -8.787   0.654
  604   2HG   GLU  88          3HG       GLU  88  -5.283  -7.761   2.026
  605    H    THR  89           HN       THR  89  -4.702  -5.066  -2.559
  606    HA   THR  89           HA       THR  89  -4.912  -2.269  -1.640
  607    HB   THR  89           HB       THR  89  -4.724  -1.949  -4.222
  608    HG1  THR  89           HG1      THR  89  -5.333  -4.260  -4.555
  609   1HG2  THR  89          2HG2      THR  89  -2.581  -3.345  -2.601
  610   2HG2  THR  89          3HG2      THR  89  -2.301  -2.474  -4.110
  611   3HG2  THR  89          1HG2      THR  89  -2.874  -1.594  -2.685
  612    H    HIS  90           HN       HIS  90  -6.422  -0.815  -2.941
  613    HA   HIS  90           HA       HIS  90  -8.454  -0.098  -3.593
  614   1HB   HIS  90          2HB       HIS  90  -9.314  -2.989  -4.022
  615   2HB   HIS  90          3HB       HIS  90 -10.135  -1.539  -4.560
  616    HD1  HIS  90           HND      HIS  90  -6.374  -1.792  -5.245
  617    HD2  HIS  90           HD       HIS  90 -10.092  -2.456  -7.062
  618    HE1  HIS  90           HE       HIS  90  -5.881  -2.438  -7.651
  619    H    LYS  91           HN       LYS  91  -8.024   0.069  -1.002
  620    HA   LYS  91           HA       LYS  91 -10.543  -0.888   0.313
  621   1HB   LYS  91          2HB       LYS  91  -7.805  -0.501   1.579
  622   2HB   LYS  91          3HB       LYS  91  -9.220  -1.219   2.330
  623   1HG   LYS  91          2HG       LYS  91  -7.802  -2.411  -0.112
  624   2HG   LYS  91          3HG       LYS  91  -7.583  -2.921   1.558
  625   1HD   LYS  91          2HD       LYS  91  -9.728  -3.479   1.892
  626   2HD   LYS  91          3HD       LYS  91 -10.315  -2.941   0.323
  627   1HE   LYS  91          2HE       LYS  91  -9.581  -4.746  -0.835
  628   2HE   LYS  91          3HE       LYS  91  -8.155  -4.915   0.171
  629   1HZ   LYS  91          1HNZ      LYS  91 -10.885  -5.578   1.131
  630   2HZ   LYS  91          2HNZ      LYS  91  -9.661  -6.733   0.700
  631   3HZ   LYS  91          3HNZ      LYS  91  -9.484  -5.780   1.932
  632    H    GLU  92           HN       GLU  92 -10.030   1.617  -1.072
  633    HA   GLU  92           HA       GLU  92  -9.887   3.803   0.740
  634   1HB   GLU  92          2HB       GLU  92  -9.684   3.994  -1.644
  635   2HB   GLU  92          3HB       GLU  92 -11.242   3.298  -1.962
  636   1HG   GLU  92          2HG       GLU  92 -11.161   5.807  -0.269
  637   2HG   GLU  92          3HG       GLU  92 -10.657   5.942  -1.961
  638    H    GLU  93           HN       GLU  93 -12.957   2.602  -0.723
  639    HA   GLU  93           HA       GLU  93 -14.373   3.436   1.626
  640   1HB   GLU  93          2HB       GLU  93 -15.052   2.978  -1.071
  641   2HB   GLU  93          3HB       GLU  93 -15.955   1.742  -0.210
  642   1HG   GLU  93          2HG       GLU  93 -16.823   3.590   1.312
  643   2HG   GLU  93          3HG       GLU  93 -15.960   4.748   0.276
  644    H    GLU  94           HN       GLU  94 -12.490   1.573   2.435
  645    HA   GLU  94           HA       GLU  94 -14.289  -0.320   3.855
  646   1HB   GLU  94          2HB       GLU  94 -11.369  -0.760   3.068
  647   2HB   GLU  94          3HB       GLU  94 -12.133  -1.472   4.479
  648   1HG   GLU  94          2HG       GLU  94 -13.889  -2.461   2.880
  649   2HG   GLU  94          3HG       GLU  94 -12.762  -2.043   1.588
  650    H    ILE  95           HN       ILE  95 -11.381   1.873   3.949
  651    HA   ILE  95           HA       ILE  95 -11.165   1.503   6.754
  652    HB   ILE  95           HB       ILE  95  -9.309   3.061   6.581
  653   1HG1  ILE  95          2HG1      ILE  95  -9.813   3.204   3.589
  654   2HG1  ILE  95          3HG1      ILE  95 -10.426   4.438   4.697
  655   1HG2  ILE  95          2HG2      ILE  95  -9.103   0.731   6.167
  656   2HG2  ILE  95          3HG2      ILE  95  -9.384   0.892   4.430
  657   3HG2  ILE  95          1HG2      ILE  95  -7.938   1.605   5.162
  658   1HD1  ILE  95           HD3      ILE  95  -7.504   3.720   4.614
  659   2HD1  ILE  95           HD1      ILE  95  -8.292   4.970   3.618
  660   3HD1  ILE  95           HD2      ILE  95  -8.298   5.097   5.400
  661    H    VAL  96           HN       VAL  96 -12.692   4.018   4.833
  662    HA   VAL  96           HA       VAL  96 -13.026   5.747   7.222
  663    HB   VAL  96           HB       VAL  96 -14.079   7.307   5.598
  664   1HG1  VAL  96          2HG1      VAL  96 -11.722   7.532   6.288
  665   2HG1  VAL  96          3HG1      VAL  96 -11.229   6.438   4.985
  666   3HG1  VAL  96          1HG1      VAL  96 -11.931   8.016   4.596
  667   1HG2  VAL  96          1HG2      VAL  96 -14.691   5.606   3.834
  668   2HG2  VAL  96          2HG2      VAL  96 -13.810   7.012   3.216
  669   3HG2  VAL  96          3HG2      VAL  96 -12.967   5.473   3.428
   
  No H/Q in entry =         668
  Start of MODEL    4
    1   1H    ALA   1          1HN       ALA   1  17.701  -3.042   0.373
    2   2H    ALA   1          2HN       ALA   1  16.573  -3.064  -0.751
    3   2H    ALA   1          3HN       ALA   1  16.573  -3.064  -0.751
    4    HA   ALA   1           HA       ALA   1  17.881  -5.501   0.045
    5   1HB   ALA   1          3HB       ALA   1  17.073  -4.329   2.101
    6   2HB   ALA   1          1HB       ALA   1  15.420  -4.447   1.452
    7   3HB   ALA   1          2HB       ALA   1  16.338  -5.913   1.803
    8    H    THR   2           HN       THR   2  14.741  -4.031  -0.890
    9    HA   THR   2           HA       THR   2  13.444  -4.478  -2.705
   10    HB   THR   2           HB       THR   2  15.533  -6.419  -3.663
   11    HG1  THR   2           HG1      THR   2  15.578  -3.610  -4.067
   12   1HG2  THR   2          3HG2      THR   2  13.638  -4.518  -5.119
   13   2HG2  THR   2          1HG2      THR   2  14.856  -5.559  -5.877
   14   3HG2  THR   2          2HG2      THR   2  13.475  -6.285  -5.033
   15    H    TYR   3           HN       TYR   3  11.738  -5.294  -1.541
   16    HA   TYR   3           HA       TYR   3  11.791  -8.207  -0.909
   17   1HB   TYR   3          2HB       TYR   3  10.038  -5.980   0.137
   18   2HB   TYR   3          3HB       TYR   3  10.098  -7.642   0.729
   19    HD1  TYR   3           HD2      TYR   3  12.659  -8.470   1.311
   20    HD2  TYR   3           HD1      TYR   3  11.202  -4.419   1.444
   21    HE1  TYR   3           HE2      TYR   3  14.389  -7.897   2.990
   22    HE2  TYR   3           HE1      TYR   3  12.791  -3.916   3.270
   23    HH   TYR   3           HOH      TYR   3  14.432  -4.735   4.639
   24    H    ASN   4           HN       ASN   4   9.884  -9.423  -1.022
   25    HA   ASN   4           HA       ASN   4   8.485  -9.175  -3.570
   26   1HB   ASN   4          2HB       ASN   4   9.536 -11.259  -2.712
   27   2HB   ASN   4          3HB       ASN   4   8.440 -11.275  -1.350
   28   1HD2  ASN   4          2HND      ASN   4   5.630 -12.440  -3.145
   29   2HD2  ASN   4          1HND      ASN   4   6.157 -11.356  -1.838
   30    H    VAL   5           HN       VAL   5   6.991  -7.457  -3.289
   31    HA   VAL   5           HA       VAL   5   5.196  -7.499  -0.927
   32    HB   VAL   5           HB       VAL   5   5.399  -5.572  -3.250
   33   1HG1  VAL   5          2HG1      VAL   5   3.685  -5.515  -0.713
   34   2HG1  VAL   5          3HG1      VAL   5   3.980  -4.100  -1.732
   35   3HG1  VAL   5          1HG1      VAL   5   3.136  -5.508  -2.381
   36   1HG2  VAL   5          2HG2      VAL   5   6.444  -5.436  -0.386
   37   2HG2  VAL   5          3HG2      VAL   5   7.393  -5.405  -1.879
   38   3HG2  VAL   5          1HG2      VAL   5   6.342  -4.038  -1.472
   39    H    LYS   6           HN       LYS   6   3.216  -8.606  -1.081
   40    HA   LYS   6           HA       LYS   6   2.082  -9.014  -3.801
   41   1HB   LYS   6          2HB       LYS   6   2.185 -10.894  -2.207
   42   2HB   LYS   6          3HB       LYS   6   1.088 -10.018  -1.142
   43   1HG   LYS   6          2HG       LYS   6  -0.573  -9.836  -3.082
   44   2HG   LYS   6          3HG       LYS   6   0.531 -10.820  -4.046
   45   1HD   LYS   6          2HD       LYS   6  -0.956 -11.623  -1.496
   46   2HD   LYS   6          3HD       LYS   6  -1.249 -12.081  -3.159
   47   1HE   LYS   6          2HE       LYS   6   1.262 -12.863  -3.119
   48   2HE   LYS   6          3HE       LYS   6   1.063 -12.891  -1.375
   49   1HZ   LYS   6          1HNZ      LYS   6  -0.734 -14.215  -3.370
   50   2HZ   LYS   6          2HNZ      LYS   6   0.566 -14.993  -2.714
   51   3HZ   LYS   6          3HNZ      LYS   6  -0.720 -14.527  -1.770
   52    H    LEU   7           HN       LEU   7   0.537  -7.780  -4.608
   53    HA   LEU   7           HA       LEU   7  -1.251  -6.260  -2.742
   54   1HB   LEU   7          2HB       LEU   7  -0.764  -5.807  -5.663
   55   2HB   LEU   7          3HB       LEU   7  -1.671  -4.768  -4.590
   56    HG   LEU   7           HG       LEU   7   1.319  -5.312  -4.598
   57   1HD1  LEU   7          2HD1      LEU   7  -0.326  -3.352  -5.935
   58   2HD1  LEU   7          3HD1      LEU   7   0.845  -2.557  -4.867
   59   3HD1  LEU   7          1HD1      LEU   7   1.403  -3.679  -6.118
   60   1HD2  LEU   7          3HD2      LEU   7  -0.301  -3.551  -2.727
   61   2HD2  LEU   7          1HD2      LEU   7   0.739  -4.941  -2.321
   62   3HD2  LEU   7          2HD2      LEU   7   1.469  -3.452  -2.896
   63    H    ILE   8           HN       ILE   8  -2.902  -7.591  -2.232
   64    HA   ILE   8           HA       ILE   8  -4.037  -9.399  -4.271
   65    HB   ILE   8           HB       ILE   8  -4.760  -8.679  -1.445
   66   1HG1  ILE   8          2HG1      ILE   8  -3.913 -11.381  -2.400
   67   2HG1  ILE   8          3HG1      ILE   8  -2.715 -10.128  -2.019
   68   1HG2  ILE   8          1HG2      ILE   8  -6.119 -10.642  -3.343
   69   2HG2  ILE   8          2HG2      ILE   8  -6.430 -10.555  -1.599
   70   3HG2  ILE   8          3HG2      ILE   8  -6.858  -9.193  -2.629
   71   1HD1  ILE   8           HD1      ILE   8  -4.819 -11.122  -0.068
   72   2HD1  ILE   8           HD2      ILE   8  -3.105 -11.575  -0.091
   73   3HD1  ILE   8           HD3      ILE   8  -3.566  -9.891   0.229
   74    H    THR   9           HN       THR   9  -4.496  -8.052  -5.948
   75    HA   THR   9           HA       THR   9  -6.358  -5.838  -5.572
   76    HB   THR   9           HB       THR   9  -6.092  -5.603  -7.956
   77    HG1  THR   9           HG1      THR   9  -5.663  -7.942  -8.367
   78   1HG2  THR   9          3HG2      THR   9  -3.439  -6.073  -6.520
   79   2HG2  THR   9          1HG2      THR   9  -3.595  -5.235  -8.072
   80   3HG2  THR   9          2HG2      THR   9  -4.329  -4.527  -6.627
   81    HA   PRO  10           HA       PRO  10 -10.010  -8.256  -6.508
   82   1HB   PRO  10          2HB       PRO  10 -10.844  -6.306  -8.527
   83   2HB   PRO  10          3HB       PRO  10 -11.676  -6.833  -7.026
   84   1HG   PRO  10          2HG       PRO  10 -10.420  -4.450  -7.446
   85   2HG   PRO  10          3HG       PRO  10 -10.592  -5.136  -5.812
   86   1HD   PRO  10          2HD       PRO  10  -8.223  -4.936  -7.478
   87   2HD   PRO  10          3HD       PRO  10  -8.339  -5.129  -5.767
   88    H    ASP  11           HN       ASP  11  -8.096  -6.966  -9.181
   89    HA   ASP  11           HA       ASP  11  -8.840  -8.510 -11.393
   90   1HB   ASP  11          2HB       ASP  11  -6.345  -7.049 -10.463
   91   2HB   ASP  11          3HB       ASP  11  -6.229  -8.139 -11.834
   92    H    GLY  12           HN       GLY  12  -7.062  -9.348  -8.523
   93   1HA   GLY  12          2HA       GLY  12  -7.093 -11.462  -7.796
   94   2HA   GLY  12          3HA       GLY  12  -6.835 -12.165  -9.411
   95    H    GLU  13           HN       GLU  13  -5.278  -9.875  -7.180
   96    HA   GLU  13           HA       GLU  13  -3.251  -9.664  -6.239
   97   1HB   GLU  13          2HB       GLU  13  -2.906 -12.493  -7.174
   98   2HB   GLU  13          3HB       GLU  13  -1.692 -11.589  -6.274
   99   1HG   GLU  13          2HG       GLU  13  -2.910 -11.442  -4.379
  100   2HG   GLU  13          3HG       GLU  13  -4.465 -11.867  -5.134
  101    H    VAL  14           HN       VAL  14  -1.409  -8.720  -6.671
  102    HA   VAL  14           HA       VAL  14   0.150  -9.445  -9.067
  103    HB   VAL  14           HB       VAL  14   0.586  -7.103  -9.612
  104   1HG1  VAL  14          1HG1      VAL  14  -1.241  -8.438 -10.744
  105   2HG1  VAL  14          2HG1      VAL  14  -2.392  -7.679  -9.605
  106   3HG1  VAL  14          3HG1      VAL  14  -1.501  -6.681 -10.764
  107   1HG2  VAL  14          2HG2      VAL  14  -1.610  -6.563  -7.578
  108   2HG2  VAL  14          3HG2      VAL  14   0.012  -5.849  -7.618
  109   3HG2  VAL  14          1HG2      VAL  14  -1.184  -5.421  -8.842
  110    H    GLU  15           HN       GLU  15   1.584 -10.504  -7.891
  111    HA   GLU  15           HA       GLU  15   3.014  -9.327  -5.639
  112   1HB   GLU  15          2HB       GLU  15   2.485 -11.956  -6.578
  113   2HB   GLU  15          3HB       GLU  15   4.211 -11.725  -6.884
  114   1HG   GLU  15          2HG       GLU  15   4.593 -11.181  -4.566
  115   2HG   GLU  15          3HG       GLU  15   2.858 -11.127  -4.248
  116    H    PHE  16           HN       PHE  16   4.906  -8.273  -5.703
  117    HA   PHE  16           HA       PHE  16   6.600  -8.303  -8.084
  118   1HB   PHE  16          2HB       PHE  16   6.358  -6.192  -8.824
  119   2HB   PHE  16          3HB       PHE  16   4.734  -6.804  -8.700
  120    HD1  PHE  16           HD1      PHE  16   3.602  -6.275  -6.249
  121    HD2  PHE  16           HD2      PHE  16   6.994  -4.138  -7.878
  122    HE1  PHE  16           HE1      PHE  16   3.417  -4.589  -4.528
  123    HE2  PHE  16           HE2      PHE  16   6.635  -2.375  -6.278
  124    HZ   PHE  16           HZ       PHE  16   4.793  -2.473  -4.661
  125    H    LYS  17           HN       LYS  17   8.375  -6.443  -7.860
  126    HA   LYS  17           HA       LYS  17   9.437  -6.875  -5.117
  127   1HB   LYS  17          2HB       LYS  17  10.653  -7.239  -7.735
  128   2HB   LYS  17          3HB       LYS  17  11.546  -6.071  -6.776
  129   1HG   LYS  17          2HG       LYS  17  12.477  -8.264  -6.263
  130   2HG   LYS  17          3HG       LYS  17  11.648  -7.586  -4.866
  131   1HD   LYS  17          2HD       LYS  17  10.780  -9.652  -4.706
  132   2HD   LYS  17          3HD       LYS  17   9.578  -8.930  -5.775
  133   1HE   LYS  17          2HE       LYS  17  11.923 -10.705  -6.599
  134   2HE   LYS  17          3HE       LYS  17  10.225 -11.195  -6.503
  135   1HZ   LYS  17          1HNZ      LYS  17   9.722  -9.601  -8.233
  136   2HZ   LYS  17          2HNZ      LYS  17  11.298  -9.148  -8.328
  137   3HZ   LYS  17          3HNZ      LYS  17  10.856 -10.676  -8.749
  138    H    CYS  18           HN       CYS  18   9.604  -5.241  -3.814
  139    HA   CYS  18           HA       CYS  18   9.791  -2.475  -4.977
  140   1HB   CYS  18          2HB       CYS  18   7.526  -2.861  -4.149
  141   2HB   CYS  18          3HB       CYS  18   8.243  -3.254  -2.579
  142    HG   CYS  18           HSG      CYS  18   8.528  -0.500  -4.464
  143    H    ASP  19           HN       ASP  19  11.548  -1.410  -4.413
  144    HA   ASP  19           HA       ASP  19  13.370  -2.430  -2.479
  145   1HB   ASP  19          2HB       ASP  19  13.400   0.277  -3.812
  146   2HB   ASP  19          3HB       ASP  19  14.726  -0.555  -2.997
  147    H    ASP  20           HN       ASP  20  13.865  -1.760  -0.649
  148    HA   ASP  20           HA       ASP  20  12.018  -0.801   1.277
  149   1HB   ASP  20          2HB       ASP  20  14.204  -0.886   2.727
  150   2HB   ASP  20          3HB       ASP  20  13.554  -2.342   2.020
  151    H    ASP  21           HN       ASP  21  14.221   0.745  -0.844
  152    HA   ASP  21           HA       ASP  21  14.041   3.368   0.556
  153   1HB   ASP  21          2HB       ASP  21  15.859   2.279  -1.641
  154   2HB   ASP  21          3HB       ASP  21  15.817   3.962  -1.136
  155    H    VAL  22           HN       VAL  22  12.020   1.779  -1.545
  156    HA   VAL  22           HA       VAL  22  11.419   4.304  -2.980
  157    HB   VAL  22           HB       VAL  22  12.714   2.550  -4.399
  158   1HG1  VAL  22          2HG1      VAL  22  11.131   0.642  -3.693
  159   2HG1  VAL  22          3HG1      VAL  22   9.956   1.347  -4.799
  160   3HG1  VAL  22          1HG1      VAL  22  11.545   0.806  -5.399
  161   1HG2  VAL  22          2HG2      VAL  22  11.553   4.565  -5.294
  162   2HG2  VAL  22          3HG2      VAL  22  11.459   3.167  -6.388
  163   3HG2  VAL  22          1HG2      VAL  22  10.052   3.615  -5.410
  164    H    TYR  23           HN       TYR  23   9.181   4.455  -3.705
  165    HA   TYR  23           HA       TYR  23   7.493   3.516  -1.595
  166   1HB   TYR  23          2HB       TYR  23   6.858   5.001  -4.132
  167   2HB   TYR  23          3HB       TYR  23   5.722   4.747  -2.824
  168    HD1  TYR  23           HD2      TYR  23   7.158   5.376  -0.366
  169    HD2  TYR  23           HD1      TYR  23   7.281   7.317  -4.221
  170    HE1  TYR  23           HE2      TYR  23   7.337   7.575   0.733
  171    HE2  TYR  23           HE1      TYR  23   7.619   9.490  -3.106
  172    HH   TYR  23           HOH      TYR  23   7.269   9.882   0.401
  173    H    VAL  24           HN       VAL  24   5.784   2.056  -1.702
  174    HA   VAL  24           HA       VAL  24   5.906  -0.193  -3.410
  175    HB   VAL  24           HB       VAL  24   3.360   0.848  -2.091
  176   1HG1  VAL  24          2HG1      VAL  24   3.162  -1.124  -3.699
  177   2HG1  VAL  24          3HG1      VAL  24   4.373  -1.953  -2.661
  178   3HG1  VAL  24          1HG1      VAL  24   2.788  -1.543  -2.016
  179   1HG2  VAL  24          1HG2      VAL  24   5.651  -0.840  -0.988
  180   2HG2  VAL  24          2HG2      VAL  24   5.010   0.669  -0.313
  181   3HG2  VAL  24          3HG2      VAL  24   4.022  -0.780  -0.267
  182    H    LEU  25           HN       LEU  25   3.661   2.604  -3.726
  183    HA   LEU  25           HA       LEU  25   2.415   1.756  -6.098
  184   1HB   LEU  25          2HB       LEU  25   1.251   3.431  -5.177
  185   2HB   LEU  25          3HB       LEU  25   2.715   4.295  -4.615
  186    HG   LEU  25           HG       LEU  25   3.022   5.069  -7.048
  187   1HD1  LEU  25          1HD1      LEU  25   0.112   4.128  -7.179
  188   2HD1  LEU  25          2HD1      LEU  25   0.975   5.069  -8.410
  189   3HD1  LEU  25          3HD1      LEU  25   1.458   3.399  -8.071
  190   1HD2  LEU  25          2HD2      LEU  25   0.609   5.955  -5.442
  191   2HD2  LEU  25          3HD2      LEU  25   2.282   6.506  -5.227
  192   3HD2  LEU  25          1HD2      LEU  25   1.429   6.879  -6.727
  193    H    ASP  26           HN       ASP  26   5.277   4.002  -5.860
  194    HA   ASP  26           HA       ASP  26   5.734   4.428  -8.472
  195   1HB   ASP  26          2HB       ASP  26   7.740   3.883  -6.231
  196   2HB   ASP  26          3HB       ASP  26   8.182   4.501  -7.824
  197    H    GLN  27           HN       GLN  27   7.372   1.735  -6.723
  198    HA   GLN  27           HA       GLN  27   8.374   0.542  -9.112
  199   1HB   GLN  27          2HB       GLN  27   8.006  -0.389  -6.299
  200   2HB   GLN  27          3HB       GLN  27   8.235  -1.631  -7.542
  201   1HG   GLN  27          2HG       GLN  27  10.137   0.702  -7.283
  202   2HG   GLN  27          3HG       GLN  27  10.372  -0.843  -6.443
  203   1HE2  GLN  27          2HNE      GLN  27  10.878  -2.709  -9.542
  204   2HE2  GLN  27          1HNE      GLN  27  10.027  -2.890  -8.022
  205    H    ALA  28           HN       ALA  28   5.282  -0.002  -7.352
  206    HA   ALA  28           HA       ALA  28   4.417  -2.221  -8.833
  207   1HB   ALA  28          2HB       ALA  28   3.341  -1.184  -6.778
  208   2HB   ALA  28          3HB       ALA  28   2.630   0.034  -7.877
  209   3HB   ALA  28          1HB       ALA  28   2.221  -1.675  -8.030
  210    H    GLU  29           HN       GLU  29   3.604   1.239  -9.528
  211    HA   GLU  29           HA       GLU  29   2.377   0.592 -11.999
  212   1HB   GLU  29          2HB       GLU  29   3.468   3.188 -10.865
  213   2HB   GLU  29          3HB       GLU  29   2.988   3.080 -12.564
  214   1HG   GLU  29          2HG       GLU  29   0.748   2.180 -11.853
  215   2HG   GLU  29          3HG       GLU  29   1.184   2.554 -10.183
  216    H    GLU  30           HN       GLU  30   5.824   1.322 -11.177
  217    HA   GLU  30           HA       GLU  30   6.833   1.220 -13.824
  218   1HB   GLU  30          2HB       GLU  30   8.188   0.305 -11.302
  219   2HB   GLU  30          3HB       GLU  30   8.970   0.523 -12.853
  220   1HG   GLU  30          2HG       GLU  30   7.442   2.904 -11.826
  221   2HG   GLU  30          3HG       GLU  30   8.920   2.454 -10.972
  222    H    GLU  31           HN       GLU  31   5.905  -1.514 -11.750
  223    HA   GLU  31           HA       GLU  31   6.841  -3.424 -13.766
  224   1HB   GLU  31          2HB       GLU  31   4.893  -3.895 -11.491
  225   2HB   GLU  31          3HB       GLU  31   5.829  -5.096 -12.386
  226   1HG   GLU  31          2HG       GLU  31   7.624  -3.043 -11.415
  227   2HG   GLU  31          3HG       GLU  31   6.549  -3.446 -10.116
  228    H    GLY  32           HN       GLY  32   3.999  -1.594 -13.122
  229   1HA   GLY  32          2HA       GLY  32   2.553  -1.048 -15.030
  230   2HA   GLY  32          3HA       GLY  32   2.552  -2.752 -15.500
  231    H    ILE  33           HN       ILE  33   2.473  -2.252 -12.069
  232    HA   ILE  33           HA       ILE  33  -0.184  -3.397 -11.903
  233    HB   ILE  33           HB       ILE  33   1.758  -2.241  -9.936
  234   1HG1  ILE  33          2HG1      ILE  33   1.011  -5.088 -10.594
  235   2HG1  ILE  33          3HG1      ILE  33   2.501  -4.230 -11.041
  236   1HG2  ILE  33          2HG2      ILE  33  -0.995  -3.359  -9.469
  237   2HG2  ILE  33          3HG2      ILE  33   0.248  -3.448  -8.201
  238   3HG2  ILE  33          1HG2      ILE  33  -0.246  -1.887  -8.826
  239   1HD1  ILE  33           HD3      ILE  33   3.198  -4.006  -8.746
  240   2HD1  ILE  33           HD1      ILE  33   1.816  -4.939  -8.186
  241   3HD1  ILE  33           HD2      ILE  33   2.988  -5.688  -9.257
  242    H    ASP  34           HN       ASP  34  -2.055  -2.367 -11.935
  243    HA   ASP  34           HA       ASP  34  -2.315   0.537 -11.342
  244   1HB   ASP  34          2HB       ASP  34  -3.409  -0.441 -13.344
  245   2HB   ASP  34          3HB       ASP  34  -4.337  -1.541 -12.305
  246    H    ILE  35           HN       ILE  35  -2.643   1.128  -9.264
  247    HA   ILE  35           HA       ILE  35  -4.601  -0.376  -7.719
  248    HB   ILE  35           HB       ILE  35  -3.162   0.042  -5.662
  249   1HG1  ILE  35          2HG1      ILE  35  -0.920   0.429  -7.692
  250   2HG1  ILE  35          3HG1      ILE  35  -1.564   1.614  -6.541
  251   1HG2  ILE  35          2HG2      ILE  35  -3.584  -2.171  -6.655
  252   2HG2  ILE  35          3HG2      ILE  35  -2.128  -1.999  -7.645
  253   3HG2  ILE  35          1HG2      ILE  35  -2.008  -2.060  -5.887
  254   1HD1  ILE  35           HD1      ILE  35  -0.925  -0.094  -4.708
  255   2HD1  ILE  35           HD2      ILE  35   0.037  -0.870  -5.985
  256   3HD1  ILE  35           HD3      ILE  35   0.395   0.787  -5.492
  257    HA   PRO  36           HA       PRO  36  -6.164   3.564  -7.413
  258   1HB   PRO  36          2HB       PRO  36  -7.126   3.768  -4.740
  259   2HB   PRO  36          3HB       PRO  36  -7.986   3.156  -6.177
  260   1HG   PRO  36          2HG       PRO  36  -6.796   1.636  -3.951
  261   2HG   PRO  36          3HG       PRO  36  -7.982   1.116  -5.190
  262   1HD   PRO  36          2HD       PRO  36  -5.232   0.456  -5.081
  263   2HD   PRO  36          3HD       PRO  36  -6.354   0.190  -6.458
  264    H    TYR  37           HN       TYR  37  -5.094   5.487  -7.342
  265    HA   TYR  37           HA       TYR  37  -3.615   6.343  -4.957
  266   1HB   TYR  37          2HB       TYR  37  -1.561   6.603  -5.952
  267   2HB   TYR  37          3HB       TYR  37  -2.040   4.954  -6.312
  268    HD1  TYR  37           HD1      TYR  37  -3.477   4.884  -8.762
  269    HD2  TYR  37           HD2      TYR  37  -0.495   7.770  -7.629
  270    HE1  TYR  37           HE1      TYR  37  -2.931   5.242 -11.134
  271    HE2  TYR  37           HE2      TYR  37   0.040   8.143 -10.027
  272    HH   TYR  37           HOH      TYR  37  -0.693   5.989 -12.316
  273    H    SER  38           HN       SER  38  -5.751   7.560  -5.235
  274    HA   SER  38           HA       SER  38  -6.152   9.360  -7.375
  275   1HB   SER  38          2HB       SER  38  -7.099   9.615  -4.493
  276   2HB   SER  38          3HB       SER  38  -7.818  10.377  -5.929
  277    HG   SER  38           HOG      SER  38  -8.085   8.171  -6.744
  278    H    CYS  39           HN       CYS  39  -3.888   9.553  -4.789
  279    HA   CYS  39           HA       CYS  39  -3.028  12.200  -5.639
  280   1HB   CYS  39          2HB       CYS  39  -2.591  13.051  -3.673
  281   2HB   CYS  39          3HB       CYS  39  -4.122  12.272  -3.315
  282    H    ARG  40           HN       ARG  40  -0.675  12.412  -4.924
  283    HA   ARG  40           HA       ARG  40   0.902   9.997  -4.856
  284   1HB   ARG  40          2HB       ARG  40   2.077  10.325  -6.969
  285   2HB   ARG  40          3HB       ARG  40   0.421   9.777  -7.146
  286   1HG   ARG  40          2HG       ARG  40   0.648  12.729  -7.305
  287   2HG   ARG  40          3HG       ARG  40   1.672  11.889  -8.462
  288   1HD   ARG  40          2HD       ARG  40  -0.260  12.104  -9.721
  289   2HD   ARG  40          3HD       ARG  40  -0.413  10.481  -9.097
  290    HE   ARG  40           HNE      ARG  40  -2.297  11.085  -7.938
  291   1HH1  ARG  40          2HN2      ARG  40  -0.449  13.977  -8.651
  292   2HH1  ARG  40          1HN2      ARG  40  -1.752  15.107  -8.415
  293   1HH2  ARG  40          2HN1      ARG  40  -4.108  12.580  -7.568
  294   2HH2  ARG  40          1HN1      ARG  40  -3.878  14.275  -7.804
  295    H    ALA  41           HN       ALA  41   1.191  11.323  -2.970
  296    HA   ALA  41           HA       ALA  41   3.540  12.889  -2.944
  297   1HB   ALA  41          2HB       ALA  41   0.962  14.508  -2.637
  298   2HB   ALA  41          3HB       ALA  41   2.584  15.070  -2.176
  299   3HB   ALA  41          1HB       ALA  41   2.217  14.727  -3.874
  300    H    GLY  42           HN       GLY  42   0.390  12.904  -1.193
  301   1HA   GLY  42          2HA       GLY  42   0.422  11.269   0.815
  302   2HA   GLY  42          3HA       GLY  42   1.818  12.215   1.351
  303    H    SER  43           HN       SER  43  -1.476  12.944   0.012
  304    HA   SER  43           HA       SER  43  -2.403  14.195   2.426
  305   1HB   SER  43          2HB       SER  43  -1.357  16.000   0.209
  306   2HB   SER  43          3HB       SER  43  -2.659  16.509   1.290
  307    HG   SER  43           HOG      SER  43  -0.345  15.489   2.474
  308    H    CYS  44           HN       CYS  44  -4.100  12.674   1.899
  309    HA   CYS  44           HA       CYS  44  -6.148  13.939   0.299
  310   1HB   CYS  44          2HB       CYS  44  -6.659  12.194  -1.122
  311   2HB   CYS  44          3HB       CYS  44  -4.913  12.322  -1.240
  312    H    SER  45           HN       SER  45  -8.023  11.928   0.508
  313    HA   SER  45           HA       SER  45  -8.014  10.698   3.119
  314   1HB   SER  45          2HB       SER  45 -10.057  11.756   3.971
  315   2HB   SER  45          3HB       SER  45  -8.746  12.941   3.815
  316    HG   SER  45           HOG      SER  45 -10.804  12.473   1.912
  317    H    SER  46           HN       SER  46  -7.865   9.264   1.139
  318    HA   SER  46           HA       SER  46 -10.298   7.847   0.642
  319   1HB   SER  46          2HB       SER  46  -8.887   9.310  -1.657
  320   2HB   SER  46          3HB       SER  46 -10.142   8.077  -1.862
  321    HG   SER  46           HOG      SER  46 -11.016   9.989  -0.179
  322    H    CYS  47           HN       CYS  47  -9.412   6.040  -1.101
  323    HA   CYS  47           HA       CYS  47  -7.922   4.518  -1.773
  324   1HB   CYS  47          2HB       CYS  47  -5.780   4.973  -2.188
  325   2HB   CYS  47          3HB       CYS  47  -6.369   6.613  -1.945
  326    H    ALA  48           HN       ALA  48  -6.024   3.141  -0.795
  327    HA   ALA  48           HA       ALA  48  -4.949   2.544   1.242
  328   1HB   ALA  48          3HB       ALA  48  -7.743   2.139   2.365
  329   2HB   ALA  48          1HB       ALA  48  -6.260   1.602   3.163
  330   3HB   ALA  48          2HB       ALA  48  -6.491   3.319   2.873
  331    H    GLY  49           HN       GLY  49  -4.713   0.362   2.195
  332   1HA   GLY  49          2HA       GLY  49  -6.144  -1.777   0.880
  333   2HA   GLY  49          3HA       GLY  49  -4.381  -1.845   0.730
  334    H    LYS  50           HN       LYS  50  -5.836  -3.856   2.047
  335    HA   LYS  50           HA       LYS  50  -5.598  -3.461   4.919
  336   1HB   LYS  50          2HB       LYS  50  -7.506  -4.503   3.520
  337   2HB   LYS  50          3HB       LYS  50  -6.528  -5.968   3.477
  338   1HG   LYS  50          2HG       LYS  50  -6.711  -6.331   5.801
  339   2HG   LYS  50          3HG       LYS  50  -6.992  -4.614   6.123
  340   1HD   LYS  50          2HD       LYS  50  -9.159  -4.877   4.749
  341   2HD   LYS  50          3HD       LYS  50  -8.983  -6.612   5.063
  342   1HE   LYS  50          2HE       LYS  50  -8.950  -6.202   7.501
  343   2HE   LYS  50          3HE       LYS  50  -8.869  -4.474   7.275
  344   1HZ   LYS  50          1HNZ      LYS  50 -11.208  -5.974   6.321
  345   2HZ   LYS  50          2HNZ      LYS  50 -11.109  -5.228   7.792
  346   3HZ   LYS  50          3HNZ      LYS  50 -11.021  -4.342   6.423
  347    H    VAL  51           HN       VAL  51  -3.698  -3.958   5.880
  348    HA   VAL  51           HA       VAL  51  -1.535  -5.433   4.657
  349    HB   VAL  51           HB       VAL  51  -1.963  -4.689   7.606
  350   1HG1  VAL  51          3HG1      VAL  51  -0.086  -6.275   7.212
  351   2HG1  VAL  51          1HG1      VAL  51   0.625  -5.121   6.052
  352   3HG1  VAL  51          2HG1      VAL  51   0.467  -4.684   7.764
  353   1HG2  VAL  51          1HG2      VAL  51  -0.652  -3.031   5.430
  354   2HG2  VAL  51          2HG2      VAL  51  -2.151  -2.646   6.316
  355   3HG2  VAL  51          3HG2      VAL  51  -0.608  -2.622   7.159
  356    H    VAL  52           HN       VAL  52  -1.668  -7.594   4.363
  357    HA   VAL  52           HA       VAL  52  -3.366  -9.304   6.069
  358    HB   VAL  52           HB       VAL  52  -1.645  -9.836   3.629
  359   1HG1  VAL  52          3HG1      VAL  52  -3.530 -11.711   5.117
  360   2HG1  VAL  52          1HG1      VAL  52  -2.797 -12.043   3.533
  361   3HG1  VAL  52          2HG1      VAL  52  -1.768 -11.898   4.960
  362   1HG2  VAL  52          1HG2      VAL  52  -4.657  -9.594   3.979
  363   2HG2  VAL  52          2HG2      VAL  52  -3.582  -8.517   3.056
  364   3HG2  VAL  52          3HG2      VAL  52  -3.854 -10.178   2.510
  365    H    SER  53           HN       SER  53   0.119  -8.820   5.191
  366    HA   SER  53           HA       SER  53   0.940  -9.672   7.820
  367   1HB   SER  53          2HB       SER  53   0.488 -11.889   6.646
  368   2HB   SER  53          3HB       SER  53   1.792 -11.483   5.518
  369    HG   SER  53           HOG      SER  53   2.503 -12.729   7.356
  370    H    GLY  54           HN       GLY  54   3.417  -9.923   7.772
  371   1HA   GLY  54          2HA       GLY  54   5.440  -8.805   7.548
  372   2HA   GLY  54          3HA       GLY  54   4.969  -8.290   5.944
  373    H    SER  55           HN       SER  55   5.992  -6.154   6.575
  374    HA   SER  55           HA       SER  55   3.964  -4.342   7.574
  375   1HB   SER  55          2HB       SER  55   6.681  -4.461   8.952
  376   2HB   SER  55          3HB       SER  55   5.344  -3.370   9.304
  377    HG   SER  55           HOG      SER  55   4.246  -5.681   9.550
  378    H    ILE  56           HN       ILE  56   4.576  -2.122   7.142
  379    HA   ILE  56           HA       ILE  56   6.914  -1.606   5.471
  380    HB   ILE  56           HB       ILE  56   5.587  -0.361   3.881
  381   1HG1  ILE  56          2HG1      ILE  56   3.089  -1.344   5.278
  382   2HG1  ILE  56          3HG1      ILE  56   3.663   0.314   5.252
  383   1HG2  ILE  56          3HG2      ILE  56   5.836  -3.058   3.786
  384   2HG2  ILE  56          1HG2      ILE  56   4.091  -2.922   3.893
  385   3HG2  ILE  56          2HG2      ILE  56   4.944  -2.144   2.550
  386   1HD1  ILE  56           HD1      ILE  56   3.667  -0.157   2.562
  387   2HD1  ILE  56           HD2      ILE  56   2.396  -1.286   3.051
  388   3HD1  ILE  56           HD3      ILE  56   2.248   0.447   3.408
  389    H    ASP  57           HN       ASP  57   7.125   0.845   5.306
  390    HA   ASP  57           HA       ASP  57   6.190   2.167   7.827
  391   1HB   ASP  57          2HB       ASP  57   8.626   2.032   7.782
  392   2HB   ASP  57          3HB       ASP  57   8.674   2.607   6.104
  393    H    GLN  58           HN       GLN  58   4.359   3.243   7.253
  394    HA   GLN  58           HA       GLN  58   4.401   4.847   4.733
  395   1HB   GLN  58          2HB       GLN  58   1.954   4.972   5.233
  396   2HB   GLN  58          3HB       GLN  58   2.548   3.384   4.714
  397   1HG   GLN  58          2HG       GLN  58   2.401   2.543   6.935
  398   2HG   GLN  58          3HG       GLN  58   2.242   4.172   7.610
  399   1HE2  GLN  58          2HNE      GLN  58  -1.063   2.516   7.696
  400   2HE2  GLN  58          1HNE      GLN  58   0.545   2.180   8.316
  401    H    SER  59           HN       SER  59   5.912   5.596   7.277
  402    HA   SER  59           HA       SER  59   4.344   7.673   8.521
  403   1HB   SER  59          2HB       SER  59   7.354   7.237   8.538
  404   2HB   SER  59          3HB       SER  59   6.409   8.220   9.676
  405    HG   SER  59           HOG      SER  59   6.455   5.430   9.287
  406    H    ASP  60           HN       ASP  60   3.888   8.327   6.128
  407    HA   ASP  60           HA       ASP  60   5.479  10.768   5.449
  408   1HB   ASP  60          2HB       ASP  60   6.118   8.647   4.130
  409   2HB   ASP  60          3HB       ASP  60   4.531   8.756   3.362
  410    H    GLN  61           HN       GLN  61   2.369   8.978   5.163
  411    HA   GLN  61           HA       GLN  61   1.069  11.089   3.691
  412   1HB   GLN  61          2HB       GLN  61  -0.568   9.570   3.362
  413   2HB   GLN  61          3HB       GLN  61   0.763   8.477   3.747
  414   1HG   GLN  61          2HG       GLN  61  -1.590   9.216   5.516
  415   2HG   GLN  61          3HG       GLN  61  -1.257   7.682   4.748
  416   1HE2  GLN  61          2HNE      GLN  61  -0.224   6.869   8.071
  417   2HE2  GLN  61          1HNE      GLN  61  -1.644   6.870   7.045
  418    H    SER  62           HN       SER  62  -1.288  11.580   4.622
  419    HA   SER  62           HA       SER  62  -1.361  11.896   7.553
  420   1HB   SER  62          2HB       SER  62  -2.016  14.260   7.390
  421   2HB   SER  62          3HB       SER  62  -0.367  14.015   6.777
  422    HG   SER  62           HOG      SER  62  -2.719  14.124   5.188
  423    H    PHE  63           HN       PHE  63  -2.824  10.059   7.083
  424    HA   PHE  63           HA       PHE  63  -5.526  11.012   6.801
  425   1HB   PHE  63          2HB       PHE  63  -5.235  10.776   4.465
  426   2HB   PHE  63          3HB       PHE  63  -4.393   9.236   4.636
  427    HD1  PHE  63           HD2      PHE  63  -7.616  10.049   6.441
  428    HD2  PHE  63           HD1      PHE  63  -5.745   8.042   3.077
  429    HE1  PHE  63           HE2      PHE  63  -9.634   8.708   6.100
  430    HE2  PHE  63           HE1      PHE  63  -7.710   6.627   2.861
  431    HZ   PHE  63           HZ       PHE  63  -9.733   7.038   4.257
  432    H    LEU  64           HN       LEU  64  -4.120   7.662   6.329
  433    HA   LEU  64           HA       LEU  64  -6.204   6.608   7.713
  434   1HB   LEU  64          2HB       LEU  64  -3.405   5.391   7.492
  435   2HB   LEU  64          3HB       LEU  64  -4.733   4.592   8.260
  436    HG   LEU  64           HG       LEU  64  -6.093   4.944   6.080
  437   1HD1  LEU  64          3HD1      LEU  64  -3.232   5.243   5.069
  438   2HD1  LEU  64          1HD1      LEU  64  -4.629   4.844   4.042
  439   3HD1  LEU  64          2HD1      LEU  64  -4.556   6.412   4.846
  440   1HD2  LEU  64          2HD2      LEU  64  -3.750   3.028   6.345
  441   2HD2  LEU  64          3HD2      LEU  64  -5.384   2.812   7.007
  442   3HD2  LEU  64          1HD2      LEU  64  -5.137   2.797   5.250
  443    H    ASP  65           HN       ASP  65  -6.765   6.099   9.753
  444    HA   ASP  65           HA       ASP  65  -5.295   7.521  11.837
  445   1HB   ASP  65          2HB       ASP  65  -7.790   5.815  12.115
  446   2HB   ASP  65          3HB       ASP  65  -7.208   7.041  13.250
  447    H    ASP  66           HN       ASP  66  -4.924   6.481  13.994
  448    HA   ASP  66           HA       ASP  66  -3.118   4.354  13.923
  449   1HB   ASP  66          2HB       ASP  66  -4.939   5.261  16.212
  450   2HB   ASP  66          3HB       ASP  66  -3.477   4.279  16.372
  451    H    GLU  67           HN       GLU  67  -6.591   4.477  14.582
  452    HA   GLU  67           HA       GLU  67  -7.122   1.856  15.274
  453   1HB   GLU  67          2HB       GLU  67  -9.109   3.242  13.449
  454   2HB   GLU  67          3HB       GLU  67  -9.324   2.398  14.976
  455   1HG   GLU  67          2HG       GLU  67  -8.154   4.429  16.038
  456   2HG   GLU  67          3HG       GLU  67  -8.444   5.232  14.479
  457    H    GLN  68           HN       GLN  68  -7.507   3.262  11.966
  458    HA   GLN  68           HA       GLN  68  -7.926   0.910  10.606
  459   1HB   GLN  68          2HB       GLN  68  -6.543   3.444   9.703
  460   2HB   GLN  68          3HB       GLN  68  -7.146   2.188   8.616
  461   1HG   GLN  68          2HG       GLN  68  -9.402   2.442   9.318
  462   2HG   GLN  68          3HG       GLN  68  -8.961   3.549  10.622
  463   1HE2  GLN  68          2HNE      GLN  68 -10.176   5.486   7.712
  464   2HE2  GLN  68          1HNE      GLN  68 -10.857   4.136   8.596
  465    H    MET  69           HN       MET  69  -4.703   2.539  11.181
  466    HA   MET  69           HA       MET  69  -3.151   0.634   9.834
  467   1HB   MET  69          2HB       MET  69  -2.463   2.238  12.322
  468   2HB   MET  69          3HB       MET  69  -1.332   1.350  11.295
  469   1HG   MET  69          2HG       MET  69  -2.133   2.812   9.342
  470   2HG   MET  69          3HG       MET  69  -3.017   3.730  10.506
  471   1HE   MET  69           HE3      MET  69  -1.675   5.694   9.285
  472   2HE   MET  69           HE1      MET  69  -2.045   6.002  11.001
  473   3HE   MET  69           HE2      MET  69  -0.451   6.441  10.354
  474    H    ASP  70           HN       ASP  70  -3.924   0.670  13.336
  475    HA   ASP  70           HA       ASP  70  -2.651  -1.739  14.068
  476   1HB   ASP  70          2HB       ASP  70  -3.530   0.041  15.627
  477   2HB   ASP  70          3HB       ASP  70  -5.171  -0.460  15.231
  478    H    ALA  71           HN       ALA  71  -5.890  -1.024  12.964
  479    HA   ALA  71           HA       ALA  71  -7.125  -3.566  13.284
  480   1HB   ALA  71          1HB       ALA  71  -7.702  -1.253  11.405
  481   2HB   ALA  71          2HB       ALA  71  -8.817  -2.607  11.695
  482   3HB   ALA  71          3HB       ALA  71  -8.396  -1.495  13.018
  483    H    GLY  72           HN       GLY  72  -4.875  -2.401  10.840
  484   1HA   GLY  72          2HA       GLY  72  -3.669  -4.169   9.732
  485   2HA   GLY  72          3HA       GLY  72  -5.169  -5.005   9.398
  486    H    TYR  73           HN       TYR  73  -4.805  -1.426   9.059
  487    HA   TYR  73           HA       TYR  73  -4.969  -1.796   6.096
  488   1HB   TYR  73          2HB       TYR  73  -6.093   0.377   7.825
  489   2HB   TYR  73          3HB       TYR  73  -6.107   0.337   6.070
  490    HD1  TYR  73           HD2      TYR  73  -7.152  -1.632   4.853
  491    HD2  TYR  73           HD1      TYR  73  -7.881  -0.776   9.010
  492    HE1  TYR  73           HE2      TYR  73  -9.404  -2.539   4.639
  493    HE2  TYR  73           HE1      TYR  73 -10.159  -1.652   8.795
  494    HH   TYR  73           HOH      TYR  73 -11.911  -1.893   6.602
  495    H    VAL  74           HN       VAL  74  -4.109   0.005   4.784
  496    HA   VAL  74           HA       VAL  74  -1.993   1.681   5.903
  497    HB   VAL  74           HB       VAL  74  -1.290  -0.847   5.509
  498   1HG1  VAL  74          1HG1      VAL  74  -2.076  -0.999   3.172
  499   2HG1  VAL  74          2HG1      VAL  74  -0.886   0.250   2.736
  500   3HG1  VAL  74          3HG1      VAL  74  -0.334  -1.313   3.353
  501   1HG2  VAL  74          2HG2      VAL  74   0.463   1.428   4.693
  502   2HG2  VAL  74          3HG2      VAL  74   0.228   0.685   6.312
  503   3HG2  VAL  74          1HG2      VAL  74   0.960  -0.258   5.046
  504    H    LEU  75           HN       LEU  75  -1.246   3.237   4.135
  505    HA   LEU  75           HA       LEU  75  -3.329   3.640   2.179
  506   1HB   LEU  75          2HB       LEU  75  -2.324   5.495   1.394
  507   2HB   LEU  75          3HB       LEU  75  -2.079   5.496   3.133
  508    HG   LEU  75           HG       LEU  75   0.025   4.836   1.035
  509   1HD1  LEU  75          2HD1      LEU  75  -0.655   7.300   2.594
  510   2HD1  LEU  75          3HD1      LEU  75   0.988   7.046   1.923
  511   3HD1  LEU  75          1HD1      LEU  75  -0.415   7.134   0.880
  512   1HD2  LEU  75          1HD2      LEU  75   0.273   5.371   3.984
  513   2HD2  LEU  75          2HD2      LEU  75   0.529   3.756   3.254
  514   3HD2  LEU  75          3HD2      LEU  75   1.635   5.086   2.877
  515    H    THR  76           HN       THR  76   0.043   2.469   1.800
  516    HA   THR  76           HA       THR  76   1.146   1.503   0.101
  517    HB   THR  76           HB       THR  76  -1.554   0.232  -0.424
  518    HG1  THR  76           HG1      THR  76  -0.361  -1.480   0.532
  519   1HG2  THR  76          3HG2      THR  76   1.058  -0.118  -1.900
  520   2HG2  THR  76          1HG2      THR  76  -0.016  -1.510  -1.629
  521   3HG2  THR  76          2HG2      THR  76  -0.601  -0.115  -2.527
  522    H    CYS  77           HN       CYS  77   1.079   3.873  -0.166
  523    HA   CYS  77           HA       CYS  77   1.009   4.432  -3.049
  524   1HB   CYS  77          2HB       CYS  77   0.066   6.370  -0.931
  525   2HB   CYS  77          3HB       CYS  77   0.296   6.745  -2.635
  526    H    HIS  78           HN       HIS  78   1.833   6.659  -0.471
  527    HA   HIS  78           HA       HIS  78   4.639   6.623  -1.161
  528   1HB   HIS  78          2HB       HIS  78   3.506   8.237   1.125
  529   2HB   HIS  78          3HB       HIS  78   4.760   8.666  -0.036
  530    HD1  HIS  78           HND      HIS  78   1.117   8.938   0.681
  531    HD2  HIS  78           HD       HIS  78   3.595   8.948  -2.715
  532    HE1  HIS  78           HE       HIS  78  -0.331   9.637  -1.277
  533    H    ALA  79           HN       ALA  79   4.252   4.133  -0.229
  534    HA   ALA  79           HA       ALA  79   5.168   4.126   2.655
  535   1HB   ALA  79          3HB       ALA  79   2.878   3.184   2.318
  536   2HB   ALA  79          1HB       ALA  79   3.586   1.961   1.244
  537   3HB   ALA  79          2HB       ALA  79   4.085   2.054   2.957
  538    H    TYR  80           HN       TYR  80   6.852   2.826   3.183
  539    HA   TYR  80           HA       TYR  80   8.512   1.785   0.909
  540   1HB   TYR  80          2HB       TYR  80   9.191   2.675   3.743
  541   2HB   TYR  80          3HB       TYR  80  10.300   1.931   2.602
  542    HD1  TYR  80           HD1      TYR  80  10.799   3.089   0.415
  543    HD2  TYR  80           HD2      TYR  80   8.689   5.040   3.620
  544    HE1  TYR  80           HE1      TYR  80  11.181   5.282  -0.670
  545    HE2  TYR  80           HE2      TYR  80   9.174   7.247   2.594
  546    HH   TYR  80           HOH      TYR  80  10.964   7.556  -0.490
  547    HA   PRO  81           HA       PRO  81   7.431  -2.137   2.782
  548   1HB   PRO  81          2HB       PRO  81   8.957  -3.723   1.016
  549   2HB   PRO  81          3HB       PRO  81   7.252  -3.239   0.825
  550   1HG   PRO  81          2HG       PRO  81   9.635  -2.195  -0.616
  551   2HG   PRO  81          3HG       PRO  81   7.874  -2.022  -0.949
  552   1HD   PRO  81          2HD       PRO  81   9.569  -0.048   0.085
  553   2HD   PRO  81          3HD       PRO  81   7.807  -0.002  -0.162
  554    H    THR  82           HN       THR  82   8.371  -2.774   4.698
  555    HA   THR  82           HA       THR  82  11.320  -2.540   4.923
  556    HB   THR  82           HB       THR  82  10.824  -2.862   7.339
  557    HG1  THR  82           HG1      THR  82   8.429  -3.558   6.592
  558   1HG2  THR  82          2HG2      THR  82  11.223  -0.661   6.282
  559   2HG2  THR  82          3HG2      THR  82   9.492  -0.512   5.925
  560   3HG2  THR  82          1HG2      THR  82  10.043  -0.546   7.610
  561    H    SER  83           HN       SER  83   9.015  -4.985   4.253
  562    HA   SER  83           HA       SER  83  11.053  -6.964   4.102
  563   1HB   SER  83          2HB       SER  83   8.840  -7.329   6.175
  564   2HB   SER  83          3HB       SER  83   9.845  -8.656   5.565
  565    HG   SER  83           HOG      SER  83  11.331  -6.532   6.443
  566    H    ASP  84           HN       ASP  84   9.625  -9.170   3.536
  567    HA   ASP  84           HA       ASP  84   8.004  -8.672   1.217
  568   1HB   ASP  84          2HB       ASP  84   7.582 -11.093   1.454
  569   2HB   ASP  84          3HB       ASP  84   9.289 -10.649   1.315
  570    H    VAL  85           HN       VAL  85   6.310  -7.386   1.766
  571    HA   VAL  85           HA       VAL  85   4.432  -8.216   3.913
  572    HB   VAL  85           HB       VAL  85   5.198  -5.925   4.059
  573   1HG1  VAL  85          3HG1      VAL  85   4.689  -5.896   1.138
  574   2HG1  VAL  85          1HG1      VAL  85   4.335  -4.402   1.998
  575   3HG1  VAL  85          2HG1      VAL  85   5.954  -5.116   2.092
  576   1HG2  VAL  85          3HG2      VAL  85   2.293  -6.090   3.158
  577   2HG2  VAL  85          1HG2      VAL  85   2.973  -6.113   4.808
  578   3HG2  VAL  85          2HG2      VAL  85   3.011  -4.666   3.857
  579    H    VAL  86           HN       VAL  86   2.254  -8.433   3.575
  580    HA   VAL  86           HA       VAL  86   1.363  -8.931   0.767
  581    HB   VAL  86           HB       VAL  86   0.593 -10.470   3.289
  582   1HG1  VAL  86          1HG1      VAL  86  -1.204 -10.227   1.457
  583   2HG1  VAL  86          2HG1      VAL  86  -0.086 -11.096   0.402
  584   3HG1  VAL  86          3HG1      VAL  86  -0.723 -11.890   1.846
  585   1HG2  VAL  86          3HG2      VAL  86   2.328 -11.298   0.916
  586   2HG2  VAL  86          1HG2      VAL  86   2.851 -11.146   2.605
  587   3HG2  VAL  86          2HG2      VAL  86   1.705 -12.414   2.149
  588    H    ILE  87           HN       ILE  87  -0.258  -7.487   0.288
  589    HA   ILE  87           HA       ILE  87  -2.015  -6.553   2.444
  590    HB   ILE  87           HB       ILE  87  -0.306  -4.979   2.514
  591   1HG1  ILE  87          2HG1      ILE  87  -2.558  -3.907   2.361
  592   2HG1  ILE  87          3HG1      ILE  87  -1.125  -2.931   2.050
  593   1HG2  ILE  87          2HG2      ILE  87  -0.080  -5.150  -0.401
  594   2HG2  ILE  87          3HG2      ILE  87   0.496  -3.709   0.464
  595   3HG2  ILE  87          1HG2      ILE  87   1.175  -5.309   0.840
  596   1HD1  ILE  87           HD1      ILE  87  -1.662  -3.759  -0.488
  597   2HD1  ILE  87           HD2      ILE  87  -3.261  -3.705   0.216
  598   3HD1  ILE  87           HD3      ILE  87  -2.248  -2.250   0.225
  599    H    GLU  88           HN       GLU  88  -4.104  -5.979   1.703
  600    HA   GLU  88           HA       GLU  88  -4.728  -6.699  -1.137
  601   1HB   GLU  88          2HB       GLU  88  -6.598  -6.090   1.094
  602   2HB   GLU  88          3HB       GLU  88  -7.020  -6.844  -0.457
  603   1HG   GLU  88          2HG       GLU  88  -5.977  -8.913   0.361
  604   2HG   GLU  88          3HG       GLU  88  -5.449  -8.061   1.825
  605    H    THR  89           HN       THR  89  -4.872  -5.021  -2.529
  606    HA   THR  89           HA       THR  89  -5.128  -2.272  -1.455
  607    HB   THR  89           HB       THR  89  -4.830  -1.653  -3.875
  608    HG1  THR  89           HG1      THR  89  -5.489  -4.043  -4.402
  609   1HG2  THR  89          1HG2      THR  89  -3.015  -1.717  -2.190
  610   2HG2  THR  89          2HG2      THR  89  -2.726  -3.427  -2.590
  611   3HG2  THR  89          3HG2      THR  89  -2.448  -2.162  -3.794
  612    H    HIS  90           HN       HIS  90  -6.656  -0.761  -2.746
  613    HA   HIS  90           HA       HIS  90  -8.689  -0.085  -3.450
  614   1HB   HIS  90          2HB       HIS  90  -9.465  -2.979  -3.992
  615   2HB   HIS  90          3HB       HIS  90 -10.279  -1.526  -4.531
  616    HD1  HIS  90           HND      HIS  90  -6.461  -1.999  -5.018
  617    HD2  HIS  90           HD       HIS  90 -10.113  -2.058  -7.086
  618    HE1  HIS  90           HE       HIS  90  -5.885  -2.387  -7.441
  619    H    LYS  91           HN       LYS  91  -8.301  -0.035  -0.839
  620    HA   LYS  91           HA       LYS  91 -10.817  -1.106   0.399
  621   1HB   LYS  91          2HB       LYS  91  -8.068  -0.694   1.629
  622   2HB   LYS  91          3HB       LYS  91  -9.449  -1.425   2.426
  623   1HG   LYS  91          2HG       LYS  91  -8.097  -2.590  -0.063
  624   2HG   LYS  91          3HG       LYS  91  -7.869  -3.128   1.601
  625   1HD   LYS  91          2HD       LYS  91 -10.033  -3.753   1.887
  626   2HD   LYS  91          3HD       LYS  91 -10.572  -3.156   0.308
  627   1HE   LYS  91          2HE       LYS  91  -9.404  -4.816  -0.928
  628   2HE   LYS  91          3HE       LYS  91  -8.428  -5.213   0.492
  629   1HZ   LYS  91          3HNZ      LYS  91 -10.991  -5.633   1.295
  630   2HZ   LYS  91          1HNZ      LYS  91 -10.964  -6.244  -0.190
  631   3HZ   LYS  91          2HNZ      LYS  91  -9.839  -6.807   0.904
  632    H    GLU  92           HN       GLU  92 -10.322   1.510  -0.886
  633    HA   GLU  92           HA       GLU  92 -10.317   3.603   0.987
  634   1HB   GLU  92          2HB       GLU  92 -10.179   3.898  -1.405
  635   2HB   GLU  92          3HB       GLU  92 -11.790   3.251  -1.667
  636   1HG   GLU  92          2HG       GLU  92 -11.513   5.588   0.225
  637   2HG   GLU  92          3HG       GLU  92 -11.286   5.899  -1.525
  638    H    GLU  93           HN       GLU  93 -13.365   2.294  -0.453
  639    HA   GLU  93           HA       GLU  93 -14.748   2.974   1.962
  640   1HB   GLU  93          2HB       GLU  93 -15.545   1.723  -0.685
  641   2HB   GLU  93          3HB       GLU  93 -16.664   1.571   0.665
  642   1HG   GLU  93          2HG       GLU  93 -16.708   4.005   0.978
  643   2HG   GLU  93          3HG       GLU  93 -15.700   4.198  -0.461
  644    H    GLU  94           HN       GLU  94 -12.715   1.246   2.657
  645    HA   GLU  94           HA       GLU  94 -14.312  -0.761   4.122
  646   1HB   GLU  94          2HB       GLU  94 -11.572  -1.333   2.925
  647   2HB   GLU  94          3HB       GLU  94 -12.278  -2.190   4.289
  648   1HG   GLU  94          2HG       GLU  94 -14.275  -2.699   2.709
  649   2HG   GLU  94          3HG       GLU  94 -13.147  -2.266   1.420
  650    H    ILE  95           HN       ILE  95 -11.473   1.507   4.015
  651    HA   ILE  95           HA       ILE  95 -11.064   1.164   6.849
  652    HB   ILE  95           HB       ILE  95  -9.418   2.881   6.617
  653   1HG1  ILE  95          2HG1      ILE  95 -10.036   3.042   3.648
  654   2HG1  ILE  95          3HG1      ILE  95 -10.667   4.203   4.839
  655   1HG2  ILE  95          3HG2      ILE  95  -8.971   0.598   6.154
  656   2HG2  ILE  95          1HG2      ILE  95  -9.234   0.783   4.413
  657   3HG2  ILE  95          2HG2      ILE  95  -7.886   1.619   5.218
  658   1HD1  ILE  95           HD2      ILE  95  -7.724   3.720   4.624
  659   2HD1  ILE  95           HD3      ILE  95  -8.663   4.887   3.669
  660   3HD1  ILE  95           HD1      ILE  95  -8.613   5.015   5.450
  661    H    VAL  96           HN       VAL  96 -12.818   3.563   4.871
  662    HA   VAL  96           HA       VAL  96 -13.192   5.265   7.240
  663    HB   VAL  96           HB       VAL  96 -14.376   6.762   5.789
  664   1HG1  VAL  96          3HG1      VAL  96 -11.812   6.739   5.868
  665   2HG1  VAL  96          1HG1      VAL  96 -11.875   5.928   4.287
  666   3HG1  VAL  96          2HG1      VAL  96 -12.551   7.542   4.475
  667   1HG2  VAL  96          2HG2      VAL  96 -15.506   5.198   4.263
  668   2HG2  VAL  96          3HG2      VAL  96 -14.566   6.396   3.359
  669   3HG2  VAL  96          1HG2      VAL  96 -13.949   4.749   3.543
   
  No H/Q in entry =         668
  Start of MODEL    5
    1   1H    ALA   1          1HN       ALA   1  15.063  -5.028   1.195
    2   2H    ALA   1          2HN       ALA   1  15.581  -3.502   0.895
    3   2H    ALA   1          3HN       ALA   1  15.581  -3.502   0.895
    4    HA   ALA   1           HA       ALA   1  16.976  -3.999  -0.653
    5   1HB   ALA   1          2HB       ALA   1  18.377  -5.086   0.916
    6   2HB   ALA   1          3HB       ALA   1  17.424  -6.594   0.798
    7   3HB   ALA   1          1HB       ALA   1  18.322  -5.987  -0.636
    8    H    THR   2           HN       THR   2  14.950  -3.813  -1.705
    9    HA   THR   2           HA       THR   2  13.286  -4.458  -3.106
   10    HB   THR   2           HB       THR   2  15.465  -6.357  -3.993
   11    HG1  THR   2           HG1      THR   2  15.354  -3.548  -4.389
   12   1HG2  THR   2          1HG2      THR   2  13.464  -4.600  -5.503
   13   2HG2  THR   2          2HG2      THR   2  14.769  -5.541  -6.255
   14   3HG2  THR   2          3HG2      THR   2  13.451  -6.373  -5.409
   15    H    TYR   3           HN       TYR   3  11.768  -5.282  -1.654
   16    HA   TYR   3           HA       TYR   3  11.832  -8.202  -1.131
   17   1HB   TYR   3          2HB       TYR   3  10.021  -6.070   0.032
   18   2HB   TYR   3          3HB       TYR   3  10.238  -7.721   0.603
   19    HD1  TYR   3           HD1      TYR   3  12.880  -8.347   1.069
   20    HD2  TYR   3           HD2      TYR   3  11.199  -4.377   1.112
   21    HE1  TYR   3           HE1      TYR   3  14.536  -7.653   2.773
   22    HE2  TYR   3           HE2      TYR   3  12.741  -3.752   2.913
   23    HH   TYR   3           HOH      TYR   3  13.806  -4.952   4.806
   24    H    ASN   4           HN       ASN   4   9.900  -9.441  -1.170
   25    HA   ASN   4           HA       ASN   4   8.437  -9.180  -3.670
   26   1HB   ASN   4          2HB       ASN   4   9.492 -11.254  -2.769
   27   2HB   ASN   4          3HB       ASN   4   8.369 -11.261  -1.435
   28   1HD2  ASN   4          2HND      ASN   4   5.571 -12.354  -3.295
   29   2HD2  ASN   4          1HND      ASN   4   6.059 -11.178  -2.075
   30    H    VAL   5           HN       VAL   5   6.987  -7.414  -3.348
   31    HA   VAL   5           HA       VAL   5   5.249  -7.477  -0.943
   32    HB   VAL   5           HB       VAL   5   5.369  -5.476  -3.200
   33   1HG1  VAL   5          3HG1      VAL   5   3.689  -5.675  -0.655
   34   2HG1  VAL   5          1HG1      VAL   5   4.061  -4.108  -1.376
   35   3HG1  VAL   5          2HG1      VAL   5   3.181  -5.335  -2.296
   36   1HG2  VAL   5          3HG2      VAL   5   6.575  -5.455  -0.401
   37   2HG2  VAL   5          1HG2      VAL   5   7.428  -5.379  -1.946
   38   3HG2  VAL   5          2HG2      VAL   5   6.412  -4.020  -1.433
   39    H    LYS   6           HN       LYS   6   3.321  -8.640  -1.048
   40    HA   LYS   6           HA       LYS   6   2.128  -9.085  -3.721
   41   1HB   LYS   6          2HB       LYS   6   2.414 -10.966  -2.101
   42   2HB   LYS   6          3HB       LYS   6   1.264 -10.138  -1.056
   43   1HG   LYS   6          2HG       LYS   6  -0.364 -10.082  -3.082
   44   2HG   LYS   6          3HG       LYS   6   0.809 -11.110  -3.919
   45   1HD   LYS   6          2HD       LYS   6  -0.780 -11.742  -1.380
   46   2HD   LYS   6          3HD       LYS   6  -0.984 -12.295  -3.029
   47   1HE   LYS   6          2HE       LYS   6   1.516 -13.102  -2.788
   48   2HE   LYS   6          3HE       LYS   6   1.225 -12.978  -1.072
   49   1HZ   LYS   6          1HNZ      LYS   6  -0.571 -14.415  -3.017
   50   2HZ   LYS   6          2HNZ      LYS   6   0.732 -15.173  -2.286
   51   3HZ   LYS   6          3HNZ      LYS   6  -0.545 -14.617  -1.394
   52    H    LEU   7           HN       LEU   7   0.476  -8.056  -4.463
   53    HA   LEU   7           HA       LEU   7  -1.278  -6.464  -2.675
   54   1HB   LEU   7          2HB       LEU   7  -0.902  -6.002  -5.626
   55   2HB   LEU   7          3HB       LEU   7  -1.725  -4.994  -4.492
   56    HG   LEU   7           HG       LEU   7   1.254  -5.549  -4.655
   57   1HD1  LEU   7          1HD1      LEU   7   0.156  -4.068  -6.417
   58   2HD1  LEU   7          2HD1      LEU   7  -0.117  -2.904  -5.092
   59   3HD1  LEU   7          3HD1      LEU   7   1.529  -3.352  -5.552
   60   1HD2  LEU   7          3HD2      LEU   7  -0.247  -3.688  -2.763
   61   2HD2  LEU   7          1HD2      LEU   7   0.814  -5.064  -2.355
   62   3HD2  LEU   7          2HD2      LEU   7   1.498  -3.601  -3.062
   63    H    ILE   8           HN       ILE   8  -2.892  -7.823  -2.155
   64    HA   ILE   8           HA       ILE   8  -4.059  -9.653  -4.126
   65    HB   ILE   8           HB       ILE   8  -4.738  -8.880  -1.293
   66   1HG1  ILE   8          2HG1      ILE   8  -3.923 -11.613  -2.164
   67   2HG1  ILE   8          3HG1      ILE   8  -2.677 -10.372  -1.961
   68   1HG2  ILE   8          3HG2      ILE   8  -6.116 -10.892  -3.113
   69   2HG2  ILE   8          1HG2      ILE   8  -6.338 -10.818  -1.354
   70   3HG2  ILE   8          2HG2      ILE   8  -6.856  -9.467  -2.356
   71   1HD1  ILE   8           HD1      ILE   8  -4.657 -11.179   0.200
   72   2HD1  ILE   8           HD2      ILE   8  -2.966 -11.692   0.081
   73   3HD1  ILE   8           HD3      ILE   8  -3.348  -9.977   0.333
   74    H    THR   9           HN       THR   9  -4.433  -8.218  -5.805
   75    HA   THR   9           HA       THR   9  -6.348  -6.063  -5.522
   76    HB   THR   9           HB       THR   9  -6.125  -6.020  -7.963
   77    HG1  THR   9           HG1      THR   9  -5.682  -8.326  -8.259
   78   1HG2  THR   9          3HG2      THR   9  -3.452  -6.248  -6.496
   79   2HG2  THR   9          1HG2      THR   9  -3.626  -5.652  -8.147
   80   3HG2  THR   9          2HG2      THR   9  -4.387  -4.756  -6.827
   81    HA   PRO  10           HA       PRO  10  -9.978  -8.537  -6.097
   82   1HB   PRO  10          2HB       PRO  10 -11.228  -6.812  -8.011
   83   2HB   PRO  10          3HB       PRO  10 -11.637  -7.068  -6.289
   84   1HG   PRO  10          2HG       PRO  10 -10.416  -4.891  -7.580
   85   2HG   PRO  10          3HG       PRO  10 -10.528  -5.067  -5.809
   86   1HD   PRO  10          2HD       PRO  10  -8.254  -5.323  -7.550
   87   2HD   PRO  10          3HD       PRO  10  -8.299  -5.293  -5.810
   88    H    ASP  11           HN       ASP  11  -8.266  -7.440  -8.967
   89    HA   ASP  11           HA       ASP  11  -9.230  -9.109 -11.020
   90   1HB   ASP  11          2HB       ASP  11  -6.602  -7.735 -10.338
   91   2HB   ASP  11          3HB       ASP  11  -6.656  -8.899 -11.647
   92    H    GLY  12           HN       GLY  12  -7.237  -9.735  -8.225
   93   1HA   GLY  12          2HA       GLY  12  -7.261 -11.821  -7.294
   94   2HA   GLY  12          3HA       GLY  12  -7.092 -12.639  -8.865
   95    H    GLU  13           HN       GLU  13  -5.434 -10.173  -6.892
   96    HA   GLU  13           HA       GLU  13  -3.330  -9.845  -6.170
   97   1HB   GLU  13          2HB       GLU  13  -2.989 -12.734  -6.913
   98   2HB   GLU  13          3HB       GLU  13  -1.749 -11.773  -6.125
   99   1HG   GLU  13          2HG       GLU  13  -2.900 -11.592  -4.132
  100   2HG   GLU  13          3HG       GLU  13  -4.457 -12.047  -4.845
  101    H    VAL  14           HN       VAL  14  -1.158  -9.461  -6.803
  102    HA   VAL  14           HA       VAL  14  -0.445  -9.984  -9.661
  103    HB   VAL  14           HB       VAL  14   0.670  -7.745  -9.725
  104   1HG1  VAL  14          3HG1      VAL  14  -1.507  -8.273 -10.818
  105   2HG1  VAL  14          1HG1      VAL  14  -2.349  -7.666  -9.372
  106   3HG1  VAL  14          2HG1      VAL  14  -1.354  -6.578 -10.354
  107   1HG2  VAL  14          2HG2      VAL  14  -0.487  -7.552  -6.994
  108   2HG2  VAL  14          3HG2      VAL  14   0.834  -6.651  -7.720
  109   3HG2  VAL  14          1HG2      VAL  14  -0.853  -6.177  -8.006
  110    H    GLU  15           HN       GLU  15   1.141  -8.594  -6.819
  111    HA   GLU  15           HA       GLU  15   2.927  -9.151  -5.635
  112   1HB   GLU  15          2HB       GLU  15   2.023 -11.650  -6.240
  113   2HB   GLU  15          3HB       GLU  15   3.635 -11.705  -6.991
  114   1HG   GLU  15          2HG       GLU  15   4.766 -11.304  -5.015
  115   2HG   GLU  15          3HG       GLU  15   3.308 -10.861  -4.133
  116    H    PHE  16           HN       PHE  16   4.924  -8.327  -5.719
  117    HA   PHE  16           HA       PHE  16   6.512  -8.379  -8.156
  118   1HB   PHE  16          2HB       PHE  16   6.249  -6.241  -8.892
  119   2HB   PHE  16          3HB       PHE  16   4.630  -6.842  -8.735
  120    HD1  PHE  16           HD1      PHE  16   3.527  -6.300  -6.291
  121    HD2  PHE  16           HD2      PHE  16   6.981  -4.269  -7.902
  122    HE1  PHE  16           HE1      PHE  16   3.409  -4.650  -4.527
  123    HE2  PHE  16           HE2      PHE  16   6.759  -2.563  -6.229
  124    HZ   PHE  16           HZ       PHE  16   4.941  -2.645  -4.548
  125    H    LYS  17           HN       LYS  17   8.315  -6.522  -7.956
  126    HA   LYS  17           HA       LYS  17   9.365  -6.938  -5.202
  127   1HB   LYS  17          2HB       LYS  17  10.591  -7.301  -7.817
  128   2HB   LYS  17          3HB       LYS  17  11.468  -6.122  -6.858
  129   1HG   LYS  17          2HG       LYS  17  12.404  -8.325  -6.335
  130   2HG   LYS  17          3HG       LYS  17  11.584  -7.623  -4.946
  131   1HD   LYS  17          2HD       LYS  17  10.713  -9.687  -4.754
  132   2HD   LYS  17          3HD       LYS  17   9.504  -8.982  -5.830
  133   1HE   LYS  17          2HE       LYS  17  11.845 -10.773  -6.622
  134   2HE   LYS  17          3HE       LYS  17  10.141 -11.242  -6.548
  135   1HZ   LYS  17          2HNZ      LYS  17   9.688  -9.633  -8.288
  136   2HZ   LYS  17          3HNZ      LYS  17  11.275  -9.224  -8.370
  137   3HZ   LYS  17          1HNZ      LYS  17  10.798 -10.743  -8.790
  138    H    CYS  18           HN       CYS  18   9.557  -5.295  -3.905
  139    HA   CYS  18           HA       CYS  18   9.622  -2.517  -5.055
  140   1HB   CYS  18          2HB       CYS  18   7.463  -3.060  -4.042
  141   2HB   CYS  18          3HB       CYS  18   8.350  -3.311  -2.536
  142    HG   CYS  18           HSG      CYS  18   8.221  -0.673  -4.592
  143    H    ASP  19           HN       ASP  19  11.496  -1.489  -4.632
  144    HA   ASP  19           HA       ASP  19  13.450  -2.409  -2.755
  145   1HB   ASP  19          2HB       ASP  19  13.264   0.402  -3.852
  146   2HB   ASP  19          3HB       ASP  19  14.660  -0.434  -3.160
  147    H    ASP  20           HN       ASP  20  14.108  -1.599  -0.804
  148    HA   ASP  20           HA       ASP  20  12.033  -0.750   1.011
  149   1HB   ASP  20          2HB       ASP  20  14.096  -0.689   2.629
  150   2HB   ASP  20          3HB       ASP  20  13.667  -2.180   1.841
  151    H    ASP  21           HN       ASP  21  13.942   0.936  -1.189
  152    HA   ASP  21           HA       ASP  21  13.873   3.518   0.297
  153   1HB   ASP  21          2HB       ASP  21  15.502   2.586  -2.110
  154   2HB   ASP  21          3HB       ASP  21  15.552   4.205  -1.407
  155    H    VAL  22           HN       VAL  22  11.807   1.908  -1.764
  156    HA   VAL  22           HA       VAL  22  11.120   4.386  -3.279
  157    HB   VAL  22           HB       VAL  22  12.467   2.526  -4.560
  158   1HG1  VAL  22          3HG1      VAL  22  10.950   0.666  -3.692
  159   2HG1  VAL  22          1HG1      VAL  22   9.705   1.278  -4.784
  160   3HG1  VAL  22          2HG1      VAL  22  11.252   0.696  -5.426
  161   1HG2  VAL  22          1HG2      VAL  22  11.321   4.448  -5.627
  162   2HG2  VAL  22          2HG2      VAL  22  11.201   2.960  -6.598
  163   3HG2  VAL  22          3HG2      VAL  22   9.818   3.502  -5.630
  164    H    TYR  23           HN       TYR  23   8.688   4.417  -3.935
  165    HA   TYR  23           HA       TYR  23   7.304   3.287  -1.643
  166   1HB   TYR  23          2HB       TYR  23   6.131   4.737  -4.017
  167   2HB   TYR  23          3HB       TYR  23   5.319   4.356  -2.514
  168    HD1  TYR  23           HD1      TYR  23   6.975   5.120  -0.339
  169    HD2  TYR  23           HD2      TYR  23   6.476   7.075  -4.156
  170    HE1  TYR  23           HE1      TYR  23   7.355   7.323   0.716
  171    HE2  TYR  23           HE2      TYR  23   7.074   9.227  -3.129
  172    HH   TYR  23           HOH      TYR  23   7.373  10.354  -1.140
  173    H    VAL  24           HN       VAL  24   5.587   1.833  -1.719
  174    HA   VAL  24           HA       VAL  24   5.789  -0.444  -3.402
  175    HB   VAL  24           HB       VAL  24   3.212   0.609  -2.126
  176   1HG1  VAL  24          3HG1      VAL  24   3.063  -1.412  -3.681
  177   2HG1  VAL  24          1HG1      VAL  24   4.223  -2.206  -2.574
  178   3HG1  VAL  24          2HG1      VAL  24   2.616  -1.738  -1.992
  179   1HG2  VAL  24          2HG2      VAL  24   5.474  -1.046  -0.930
  180   2HG2  VAL  24          3HG2      VAL  24   4.890   0.524  -0.344
  181   3HG2  VAL  24          1HG2      VAL  24   3.847  -0.890  -0.219
  182    H    LEU  25           HN       LEU  25   3.577   2.360  -3.715
  183    HA   LEU  25           HA       LEU  25   2.369   1.422  -6.063
  184   1HB   LEU  25          2HB       LEU  25   1.009   3.085  -5.795
  185   2HB   LEU  25          3HB       LEU  25   1.894   3.487  -4.345
  186    HG   LEU  25           HG       LEU  25   1.347   5.373  -5.562
  187   1HD1  LEU  25          1HD1      LEU  25   3.756   5.121  -4.506
  188   2HD1  LEU  25          2HD1      LEU  25   4.243   5.513  -6.175
  189   3HD1  LEU  25          3HD1      LEU  25   3.197   6.606  -5.290
  190   1HD2  LEU  25          2HD2      LEU  25   1.154   4.438  -7.841
  191   2HD2  LEU  25          3HD2      LEU  25   1.988   5.997  -7.776
  192   3HD2  LEU  25          1HD2      LEU  25   2.914   4.551  -8.035
  193    H    ASP  26           HN       ASP  26   5.283   3.495  -5.686
  194    HA   ASP  26           HA       ASP  26   5.629   4.340  -8.288
  195   1HB   ASP  26          2HB       ASP  26   7.715   3.335  -6.254
  196   2HB   ASP  26          3HB       ASP  26   8.120   4.128  -7.763
  197    H    GLN  27           HN       GLN  27   7.174   1.506  -6.778
  198    HA   GLN  27           HA       GLN  27   8.202   0.689  -9.259
  199   1HB   GLN  27          2HB       GLN  27   9.188   0.494  -6.979
  200   2HB   GLN  27          3HB       GLN  27   8.161  -0.909  -6.672
  201   1HG   GLN  27          2HG       GLN  27   9.290  -2.190  -8.258
  202   2HG   GLN  27          3HG       GLN  27   9.836  -0.785  -9.181
  203   1HE2  GLN  27          2HNE      GLN  27  12.783  -0.198  -7.233
  204   2HE2  GLN  27          1HNE      GLN  27  11.703   0.481  -8.469
  205    H    ALA  28           HN       ALA  28   5.312  -0.264  -7.389
  206    HA   ALA  28           HA       ALA  28   4.485  -2.491  -8.900
  207   1HB   ALA  28          3HB       ALA  28   3.357  -1.643  -6.861
  208   2HB   ALA  28          1HB       ALA  28   2.793  -0.228  -7.794
  209   3HB   ALA  28          2HB       ALA  28   2.237  -1.858  -8.206
  210    H    GLU  29           HN       GLU  29   3.611   0.981  -9.493
  211    HA   GLU  29           HA       GLU  29   2.319   0.425 -11.960
  212   1HB   GLU  29          2HB       GLU  29   3.577   2.984 -10.878
  213   2HB   GLU  29          3HB       GLU  29   2.820   2.877 -12.475
  214   1HG   GLU  29          2HG       GLU  29   0.722   2.011 -11.391
  215   2HG   GLU  29          3HG       GLU  29   1.447   2.368  -9.818
  216    H    GLU  30           HN       GLU  30   5.779   1.188 -11.188
  217    HA   GLU  30           HA       GLU  30   6.727   1.122 -13.842
  218   1HB   GLU  30          2HB       GLU  30   8.241   0.191 -11.419
  219   2HB   GLU  30          3HB       GLU  30   8.902   0.587 -12.992
  220   1HG   GLU  30          2HG       GLU  30   7.305   2.855 -12.108
  221   2HG   GLU  30          3HG       GLU  30   8.425   2.393 -10.826
  222    H    GLU  31           HN       GLU  31   5.998  -1.679 -11.794
  223    HA   GLU  31           HA       GLU  31   7.006  -3.510 -13.829
  224   1HB   GLU  31          2HB       GLU  31   5.034  -4.108 -11.604
  225   2HB   GLU  31          3HB       GLU  31   6.068  -5.249 -12.480
  226   1HG   GLU  31          2HG       GLU  31   7.701  -3.110 -11.438
  227   2HG   GLU  31          3HG       GLU  31   6.629  -3.612 -10.172
  228    H    GLY  32           HN       GLY  32   4.081  -1.805 -13.211
  229   1HA   GLY  32          2HA       GLY  32   2.693  -1.265 -15.162
  230   2HA   GLY  32          3HA       GLY  32   2.754  -2.960 -15.658
  231    H    ILE  33           HN       ILE  33   2.531  -2.493 -12.212
  232    HA   ILE  33           HA       ILE  33  -0.110  -3.719 -12.220
  233    HB   ILE  33           HB       ILE  33   1.558  -2.532 -10.027
  234   1HG1  ILE  33          2HG1      ILE  33   1.227  -5.396 -10.929
  235   2HG1  ILE  33          3HG1      ILE  33   2.674  -4.409 -11.227
  236   1HG2  ILE  33          2HG2      ILE  33  -1.095  -3.081  -9.705
  237   2HG2  ILE  33          3HG2      ILE  33  -0.463  -4.697  -9.535
  238   3HG2  ILE  33          1HG2      ILE  33   0.100  -3.404  -8.459
  239   1HD1  ILE  33           HD1      ILE  33   1.873  -4.746  -8.357
  240   2HD1  ILE  33           HD2      ILE  33   2.665  -6.070  -9.229
  241   3HD1  ILE  33           HD3      ILE  33   3.443  -4.476  -9.118
  242    H    ASP  34           HN       ASP  34  -1.987  -2.733 -12.170
  243    HA   ASP  34           HA       ASP  34  -2.300   0.193 -11.686
  244   1HB   ASP  34          2HB       ASP  34  -3.324  -0.853 -13.685
  245   2HB   ASP  34          3HB       ASP  34  -4.268  -1.939 -12.640
  246    H    ILE  35           HN       ILE  35  -2.810   0.875  -9.694
  247    HA   ILE  35           HA       ILE  35  -4.551  -0.705  -8.006
  248    HB   ILE  35           HB       ILE  35  -3.246  -0.721  -6.075
  249   1HG1  ILE  35          2HG1      ILE  35  -1.064   0.917  -7.427
  250   2HG1  ILE  35          3HG1      ILE  35  -2.186   1.495  -6.184
  251   1HG2  ILE  35          2HG2      ILE  35  -2.699  -2.472  -7.747
  252   2HG2  ILE  35          3HG2      ILE  35  -1.265  -1.486  -8.188
  253   3HG2  ILE  35          1HG2      ILE  35  -1.450  -2.167  -6.567
  254   1HD1  ILE  35           HD1      ILE  35  -1.324  -0.320  -4.643
  255   2HD1  ILE  35           HD2      ILE  35  -0.009  -0.581  -5.810
  256   3HD1  ILE  35           HD3      ILE  35  -0.178   0.982  -5.013
  257    HA   PRO  36           HA       PRO  36  -6.193   3.235  -7.497
  258   1HB   PRO  36          2HB       PRO  36  -7.076   3.310  -4.820
  259   2HB   PRO  36          3HB       PRO  36  -7.944   2.671  -6.237
  260   1HG   PRO  36          2HG       PRO  36  -6.652   1.164  -4.072
  261   2HG   PRO  36          3HG       PRO  36  -7.792   0.609  -5.343
  262   1HD   PRO  36          2HD       PRO  36  -4.940   0.261  -5.189
  263   2HD   PRO  36          3HD       PRO  36  -6.057  -0.287  -6.482
  264    H    TYR  37           HN       TYR  37  -4.613   4.741  -7.692
  265    HA   TYR  37           HA       TYR  37  -3.411   5.908  -5.225
  266   1HB   TYR  37          2HB       TYR  37  -1.646   4.686  -6.323
  267   2HB   TYR  37          3HB       TYR  37  -2.123   5.285  -7.909
  268    HD1  TYR  37           HD1      TYR  37  -1.093   6.633  -4.548
  269    HD2  TYR  37           HD2      TYR  37  -0.829   7.027  -8.825
  270    HE1  TYR  37           HE1      TYR  37   0.827   8.203  -4.297
  271    HE2  TYR  37           HE2      TYR  37   1.060   8.590  -8.571
  272    HH   TYR  37           HOH      TYR  37   2.797   9.110  -7.070
  273    H    SER  38           HN       SER  38  -4.953   7.512  -5.133
  274    HA   SER  38           HA       SER  38  -5.232   9.365  -7.446
  275   1HB   SER  38          2HB       SER  38  -7.257   8.889  -6.090
  276   2HB   SER  38          3HB       SER  38  -6.483   9.597  -4.676
  277    HG   SER  38           HOG      SER  38  -7.693  11.153  -5.692
  278    H    CYS  39           HN       CYS  39  -5.173  11.662  -5.900
  279    HA   CYS  39           HA       CYS  39  -3.594  13.310  -5.995
  280   1HB   CYS  39          2HB       CYS  39  -2.778  13.806  -3.911
  281   2HB   CYS  39          3HB       CYS  39  -4.293  12.962  -3.673
  282    H    ARG  40           HN       ARG  40  -0.995  12.995  -4.468
  283    HA   ARG  40           HA       ARG  40   0.568  10.948  -5.074
  284   1HB   ARG  40          2HB       ARG  40   2.194  11.656  -6.787
  285   2HB   ARG  40          3HB       ARG  40   0.615  11.326  -7.469
  286   1HG   ARG  40          2HG       ARG  40   0.181  13.857  -7.446
  287   2HG   ARG  40          3HG       ARG  40   1.849  14.062  -6.907
  288   1HD   ARG  40          2HD       ARG  40   2.212  14.262  -9.145
  289   2HD   ARG  40          3HD       ARG  40   2.407  12.505  -8.976
  290    HE   ARG  40           HNE      ARG  40  -0.345  13.213  -9.474
  291   1HH1  ARG  40          2HN2      ARG  40   2.735  12.636 -11.060
  292   2HH1  ARG  40          1HN2      ARG  40   2.103  12.567 -12.675
  293   1HH2  ARG  40          2HN1      ARG  40  -1.230  13.293 -11.626
  294   2HH2  ARG  40          1HN1      ARG  40  -0.223  12.963 -13.001
  295    H    ALA  41           HN       ALA  41   0.081  12.526  -2.949
  296    HA   ALA  41           HA       ALA  41   2.596  13.615  -2.065
  297   1HB   ALA  41          2HB       ALA  41   0.419  15.580  -2.918
  298   2HB   ALA  41          3HB       ALA  41   1.824  15.985  -1.911
  299   3HB   ALA  41          1HB       ALA  41   2.059  15.464  -3.587
  300    H    GLY  42           HN       GLY  42   2.133  12.304  -0.293
  301   1HA   GLY  42          2HA       GLY  42   0.005  11.635   1.133
  302   2HA   GLY  42          3HA       GLY  42   1.535  12.066   1.905
  303    H    SER  43           HN       SER  43  -1.716  13.086   1.224
  304    HA   SER  43           HA       SER  43  -1.820  15.087   3.297
  305   1HB   SER  43          2HB       SER  43  -0.460  16.289   1.485
  306   2HB   SER  43          3HB       SER  43  -1.880  16.153   0.440
  307    HG   SER  43           HOG      SER  43  -3.003  17.219   2.308
  308    H    CYS  44           HN       CYS  44  -3.203  13.813   0.193
  309    HA   CYS  44           HA       CYS  44  -5.860  14.650   0.873
  310   1HB   CYS  44          2HB       CYS  44  -6.333  14.123  -1.134
  311   2HB   CYS  44          3HB       CYS  44  -4.657  13.719  -1.426
  312    H    SER  45           HN       SER  45  -7.568  12.680   0.771
  313    HA   SER  45           HA       SER  45  -6.849  10.681   2.816
  314   1HB   SER  45          2HB       SER  45  -9.200  12.585   3.084
  315   2HB   SER  45          3HB       SER  45  -8.941  11.145   4.082
  316    HG   SER  45           HOG      SER  45  -6.739  12.802   3.887
  317    H    SER  46           HN       SER  46  -6.778   9.617   0.637
  318    HA   SER  46           HA       SER  46  -9.032   7.883   0.658
  319   1HB   SER  46          2HB       SER  46  -9.602   7.984  -1.737
  320   2HB   SER  46          3HB       SER  46  -9.926   9.525  -0.951
  321    HG   SER  46           HOG      SER  46  -7.756  10.141  -1.738
  322    H    CYS  47           HN       CYS  47  -8.411   6.181  -1.244
  323    HA   CYS  47           HA       CYS  47  -7.122   4.531  -1.872
  324   1HB   CYS  47          2HB       CYS  47  -4.967   4.578  -2.398
  325   2HB   CYS  47          3HB       CYS  47  -5.429   6.238  -2.673
  326    H    ALA  48           HN       ALA  48  -6.167   2.670  -1.000
  327    HA   ALA  48           HA       ALA  48  -4.675   2.393   1.183
  328   1HB   ALA  48          3HB       ALA  48  -7.588   2.409   2.062
  329   2HB   ALA  48          1HB       ALA  48  -6.381   1.464   2.950
  330   3HB   ALA  48          2HB       ALA  48  -6.176   3.195   2.821
  331    H    GLY  49           HN       GLY  49  -4.641   0.255   2.157
  332   1HA   GLY  49          2HA       GLY  49  -6.042  -1.859   0.741
  333   2HA   GLY  49          3HA       GLY  49  -4.270  -1.935   0.802
  334    H    LYS  50           HN       LYS  50  -5.628  -3.982   1.963
  335    HA   LYS  50           HA       LYS  50  -5.580  -3.518   4.828
  336   1HB   LYS  50          2HB       LYS  50  -7.377  -4.729   3.283
  337   2HB   LYS  50          3HB       LYS  50  -6.398  -6.152   3.577
  338   1HG   LYS  50          2HG       LYS  50  -6.824  -6.109   5.923
  339   2HG   LYS  50          3HG       LYS  50  -7.252  -4.393   5.878
  340   1HD   LYS  50          2HD       LYS  50  -9.168  -5.026   4.326
  341   2HD   LYS  50          3HD       LYS  50  -8.938  -6.703   4.854
  342   1HE   LYS  50          2HE       LYS  50  -9.395  -6.057   7.201
  343   2HE   LYS  50          3HE       LYS  50  -9.220  -4.385   6.822
  344   1HZ   LYS  50          3HNZ      LYS  50 -11.163  -4.810   5.149
  345   2HZ   LYS  50          1HNZ      LYS  50 -11.597  -5.933   6.260
  346   3HZ   LYS  50          2HNZ      LYS  50 -11.398  -4.325   6.658
  347    H    VAL  51           HN       VAL  51  -3.687  -3.983   5.889
  348    HA   VAL  51           HA       VAL  51  -1.481  -5.429   4.686
  349    HB   VAL  51           HB       VAL  51  -2.027  -4.632   7.604
  350   1HG1  VAL  51          1HG1      VAL  51   0.610  -5.319   6.231
  351   2HG1  VAL  51          2HG1      VAL  51   0.412  -4.719   7.889
  352   3HG1  VAL  51          3HG1      VAL  51  -0.226  -6.313   7.457
  353   1HG2  VAL  51          2HG2      VAL  51  -0.443  -3.161   5.474
  354   2HG2  VAL  51          3HG2      VAL  51  -2.013  -2.658   6.161
  355   3HG2  VAL  51          1HG2      VAL  51  -0.574  -2.681   7.180
  356    H    VAL  52           HN       VAL  52  -1.615  -7.601   4.344
  357    HA   VAL  52           HA       VAL  52  -3.241  -9.314   6.138
  358    HB   VAL  52           HB       VAL  52  -1.542  -9.849   3.712
  359   1HG1  VAL  52          3HG1      VAL  52  -3.357 -11.757   5.247
  360   2HG1  VAL  52          1HG1      VAL  52  -2.632 -12.100   3.661
  361   3HG1  VAL  52          2HG1      VAL  52  -1.592 -11.893   5.071
  362   1HG2  VAL  52          2HG2      VAL  52  -4.556  -9.666   4.092
  363   2HG2  VAL  52          3HG2      VAL  52  -3.511  -8.613   3.108
  364   3HG2  VAL  52          1HG2      VAL  52  -3.781 -10.293   2.628
  365    H    SER  53           HN       SER  53   0.228  -8.771   5.203
  366    HA   SER  53           HA       SER  53   1.082  -9.551   7.841
  367   1HB   SER  53          2HB       SER  53   0.611 -11.821   6.676
  368   2HB   SER  53          3HB       SER  53   1.980 -11.430   5.621
  369    HG   SER  53           HOG      SER  53   1.934 -11.823   8.429
  370    H    GLY  54           HN       GLY  54   3.591  -9.905   7.733
  371   1HA   GLY  54          2HA       GLY  54   5.651  -8.835   7.397
  372   2HA   GLY  54          3HA       GLY  54   5.040  -8.125   5.919
  373    H    SER  55           HN       SER  55   6.113  -6.098   6.658
  374    HA   SER  55           HA       SER  55   4.123  -4.379   7.837
  375   1HB   SER  55          2HB       SER  55   6.915  -4.450   9.054
  376   2HB   SER  55          3HB       SER  55   5.566  -3.419   9.517
  377    HG   SER  55           HOG      SER  55   4.577  -5.789   9.755
  378    H    ILE  56           HN       ILE  56   4.714  -2.123   7.367
  379    HA   ILE  56           HA       ILE  56   6.985  -1.609   5.615
  380    HB   ILE  56           HB       ILE  56   5.616  -0.492   4.000
  381   1HG1  ILE  56          2HG1      ILE  56   3.135  -1.514   5.387
  382   2HG1  ILE  56          3HG1      ILE  56   3.667   0.163   5.378
  383   1HG2  ILE  56          1HG2      ILE  56   5.997  -3.124   3.929
  384   2HG2  ILE  56          2HG2      ILE  56   4.255  -3.156   4.172
  385   3HG2  ILE  56          3HG2      ILE  56   4.932  -2.328   2.757
  386   1HD1  ILE  56           HD3      ILE  56   3.785  -0.383   2.664
  387   2HD1  ILE  56           HD1      ILE  56   2.413  -1.390   3.175
  388   3HD1  ILE  56           HD2      ILE  56   2.435   0.366   3.467
  389    H    ASP  57           HN       ASP  57   7.114   0.843   5.331
  390    HA   ASP  57           HA       ASP  57   6.256   2.212   7.854
  391   1HB   ASP  57          2HB       ASP  57   8.651   2.163   7.700
  392   2HB   ASP  57          3HB       ASP  57   8.623   2.631   5.995
  393    H    GLN  58           HN       GLN  58   4.309   3.148   7.351
  394    HA   GLN  58           HA       GLN  58   4.299   5.046   5.044
  395   1HB   GLN  58          2HB       GLN  58   1.820   4.917   5.327
  396   2HB   GLN  58          3HB       GLN  58   2.539   3.425   4.729
  397   1HG   GLN  58          2HG       GLN  58   2.301   2.317   6.772
  398   2HG   GLN  58          3HG       GLN  58   2.152   3.815   7.695
  399   1HE2  GLN  58          2HNE      GLN  58  -1.114   2.285   7.733
  400   2HE2  GLN  58          1HNE      GLN  58   0.512   2.033   8.346
  401    H    SER  59           HN       SER  59   5.849   5.784   7.165
  402    HA   SER  59           HA       SER  59   4.169   7.543   8.833
  403   1HB   SER  59          2HB       SER  59   7.202   7.325   8.655
  404   2HB   SER  59          3HB       SER  59   6.252   8.091   9.944
  405    HG   SER  59           HOG      SER  59   6.484   5.371   9.217
  406    H    ASP  60           HN       ASP  60   3.627   8.213   6.301
  407    HA   ASP  60           HA       ASP  60   5.155  10.755   5.789
  408   1HB   ASP  60          2HB       ASP  60   5.818   9.010   4.181
  409   2HB   ASP  60          3HB       ASP  60   4.126   8.772   3.721
  410    H    GLN  61           HN       GLN  61   2.166   8.950   5.011
  411    HA   GLN  61           HA       GLN  61   0.602  11.336   4.542
  412   1HB   GLN  61          2HB       GLN  61  -1.236   9.935   4.256
  413   2HB   GLN  61          3HB       GLN  61   0.102   8.922   3.717
  414   1HG   GLN  61          2HG       GLN  61  -1.341   8.759   6.415
  415   2HG   GLN  61          3HG       GLN  61  -1.536   7.647   5.080
  416   1HE2  GLN  61          2HNE      GLN  61   0.817   6.330   7.647
  417   2HE2  GLN  61          1HNE      GLN  61  -0.890   6.893   7.679
  418    H    SER  62           HN       SER  62  -1.230  11.973   5.922
  419    HA   SER  62           HA       SER  62  -1.204  10.875   8.688
  420   1HB   SER  62          2HB       SER  62  -0.300  13.342   8.444
  421   2HB   SER  62          3HB       SER  62  -2.021  13.742   8.241
  422    HG   SER  62           HOG      SER  62  -1.439  13.804  10.436
  423    H    PHE  63           HN       PHE  63  -2.558  10.199   6.119
  424    HA   PHE  63           HA       PHE  63  -5.335  10.918   6.557
  425   1HB   PHE  63          2HB       PHE  63  -4.729  10.558   4.296
  426   2HB   PHE  63          3HB       PHE  63  -4.001   8.987   4.650
  427    HD1  PHE  63           HD2      PHE  63  -7.325   9.988   6.085
  428    HD2  PHE  63           HD1      PHE  63  -5.284   7.937   2.857
  429    HE1  PHE  63           HE2      PHE  63  -9.288   8.564   5.740
  430    HE2  PHE  63           HE1      PHE  63  -7.304   6.607   2.468
  431    HZ   PHE  63           HZ       PHE  63  -9.293   6.873   3.919
  432    H    LEU  64           HN       LEU  64  -3.832   7.526   6.474
  433    HA   LEU  64           HA       LEU  64  -6.070   6.574   7.793
  434   1HB   LEU  64          2HB       LEU  64  -3.325   5.345   7.526
  435   2HB   LEU  64          3HB       LEU  64  -4.552   4.615   8.532
  436    HG   LEU  64           HG       LEU  64  -6.147   4.674   6.528
  437   1HD1  LEU  64          3HD1      LEU  64  -3.468   5.158   5.199
  438   2HD1  LEU  64          1HD1      LEU  64  -4.918   4.604   4.322
  439   3HD1  LEU  64          2HD1      LEU  64  -4.897   6.208   5.068
  440   1HD2  LEU  64          1HD2      LEU  64  -3.628   2.981   6.525
  441   2HD2  LEU  64          2HD2      LEU  64  -5.129   2.649   7.414
  442   3HD2  LEU  64          3HD2      LEU  64  -5.124   2.590   5.639
  443    H    ASP  65           HN       ASP  65  -6.541   6.046   9.823
  444    HA   ASP  65           HA       ASP  65  -5.094   7.472  11.993
  445   1HB   ASP  65          2HB       ASP  65  -7.845   6.189  11.843
  446   2HB   ASP  65          3HB       ASP  65  -7.154   6.807  13.347
  447    H    ASP  66           HN       ASP  66  -5.040   6.314  14.109
  448    HA   ASP  66           HA       ASP  66  -3.295   4.120  14.022
  449   1HB   ASP  66          2HB       ASP  66  -5.141   5.058  16.277
  450   2HB   ASP  66          3HB       ASP  66  -3.755   3.974  16.458
  451    H    GLU  67           HN       GLU  67  -6.796   4.368  14.540
  452    HA   GLU  67           HA       GLU  67  -7.417   1.758  15.197
  453   1HB   GLU  67          2HB       GLU  67  -9.299   3.200  13.302
  454   2HB   GLU  67          3HB       GLU  67  -9.598   2.354  14.814
  455   1HG   GLU  67          2HG       GLU  67  -8.443   4.351  15.943
  456   2HG   GLU  67          3HG       GLU  67  -8.630   5.169  14.376
  457    H    GLN  68           HN       GLN  68  -7.599   3.206  11.906
  458    HA   GLN  68           HA       GLN  68  -8.081   0.887  10.499
  459   1HB   GLN  68          2HB       GLN  68  -6.581   3.388   9.689
  460   2HB   GLN  68          3HB       GLN  68  -7.214   2.190   8.552
  461   1HG   GLN  68          2HG       GLN  68  -9.469   2.544   9.153
  462   2HG   GLN  68          3HG       GLN  68  -9.051   3.537  10.551
  463   1HE2  GLN  68          2HNE      GLN  68 -10.038   5.692   7.689
  464   2HE2  GLN  68          1HNE      GLN  68 -10.790   4.304   8.432
  465    H    MET  69           HN       MET  69  -4.834   2.437  11.126
  466    HA   MET  69           HA       MET  69  -3.271   0.486   9.870
  467   1HB   MET  69          2HB       MET  69  -2.730   2.075  12.417
  468   2HB   MET  69          3HB       MET  69  -1.513   1.201  11.487
  469   1HG   MET  69          2HG       MET  69  -1.875   2.682   9.552
  470   2HG   MET  69          3HG       MET  69  -3.210   3.444  10.348
  471   1HE   MET  69           HE1      MET  69  -2.209   5.655   9.686
  472   2HE   MET  69           HE2      MET  69  -0.614   6.282  10.174
  473   3HE   MET  69           HE3      MET  69  -0.733   4.936   9.005
  474    H    ASP  70           HN       ASP  70  -4.172   0.510  13.341
  475    HA   ASP  70           HA       ASP  70  -2.973  -1.936  14.068
  476   1HB   ASP  70          2HB       ASP  70  -3.877  -0.145  15.620
  477   2HB   ASP  70          3HB       ASP  70  -5.508  -0.647  15.191
  478    H    ALA  71           HN       ALA  71  -6.179  -1.140  12.918
  479    HA   ALA  71           HA       ALA  71  -7.482  -3.640  13.171
  480   1HB   ALA  71          3HB       ALA  71  -7.937  -1.290  11.302
  481   2HB   ALA  71          1HB       ALA  71  -9.092  -2.624  11.519
  482   3HB   ALA  71          2HB       ALA  71  -8.700  -1.548  12.879
  483    H    GLY  72           HN       GLY  72  -5.143  -2.528  10.770
  484   1HA   GLY  72          2HA       GLY  72  -4.037  -4.422   9.658
  485   2HA   GLY  72          3HA       GLY  72  -5.598  -5.057   9.238
  486    H    TYR  73           HN       TYR  73  -4.983  -1.530   9.014
  487    HA   TYR  73           HA       TYR  73  -5.136  -1.855   6.046
  488   1HB   TYR  73          2HB       TYR  73  -6.178   0.349   7.775
  489   2HB   TYR  73          3HB       TYR  73  -6.194   0.309   6.021
  490    HD1  TYR  73           HD2      TYR  73  -7.321  -1.650   4.814
  491    HD2  TYR  73           HD1      TYR  73  -8.011  -0.727   8.963
  492    HE1  TYR  73           HE2      TYR  73  -9.582  -2.551   4.641
  493    HE2  TYR  73           HE1      TYR  73 -10.322  -1.529   8.767
  494    HH   TYR  73           HOH      TYR  73 -12.073  -1.796   6.520
  495    H    VAL  74           HN       VAL  74  -4.196  -0.119   4.749
  496    HA   VAL  74           HA       VAL  74  -2.040   1.487   5.909
  497    HB   VAL  74           HB       VAL  74  -1.048  -0.701   5.742
  498   1HG1  VAL  74          2HG1      VAL  74  -1.733  -0.668   2.765
  499   2HG1  VAL  74          3HG1      VAL  74  -0.658  -1.817   3.576
  500   3HG1  VAL  74          1HG1      VAL  74  -2.384  -1.793   3.976
  501   1HG2  VAL  74          3HG2      VAL  74   0.174   1.475   4.974
  502   2HG2  VAL  74          1HG2      VAL  74   0.887  -0.128   4.841
  503   3HG2  VAL  74          2HG2      VAL  74   0.179   0.679   3.401
  504    H    LEU  75           HN       LEU  75  -1.380   3.167   4.455
  505    HA   LEU  75           HA       LEU  75  -3.196   3.622   2.171
  506   1HB   LEU  75          2HB       LEU  75  -3.077   5.566   3.077
  507   2HB   LEU  75          3HB       LEU  75  -1.555   5.293   3.932
  508    HG   LEU  75           HG       LEU  75  -1.554   5.831   0.957
  509   1HD1  LEU  75          1HD1      LEU  75  -2.130   7.863   3.090
  510   2HD1  LEU  75          2HD1      LEU  75  -1.479   8.258   1.499
  511   3HD1  LEU  75          3HD1      LEU  75  -3.049   7.436   1.658
  512   1HD2  LEU  75          3HD2      LEU  75   0.299   6.460   3.317
  513   2HD2  LEU  75          1HD2      LEU  75   0.628   5.305   2.020
  514   3HD2  LEU  75          2HD2      LEU  75   0.580   7.042   1.681
  515    H    THR  76           HN       THR  76  -2.549   3.749   0.015
  516    HA   THR  76           HA       THR  76   0.043   2.419  -0.637
  517    HB   THR  76           HB       THR  76  -1.272   1.595  -2.634
  518    HG1  THR  76           HG1      THR  76  -3.041   3.068  -2.499
  519   1HG2  THR  76          1HG2      THR  76  -0.838   0.192  -0.609
  520   2HG2  THR  76          2HG2      THR  76  -2.346   0.793   0.115
  521   3HG2  THR  76          3HG2      THR  76  -2.402  -0.173  -1.365
  522    H    CYS  77           HN       CYS  77  -0.220   5.227  -0.208
  523    HA   CYS  77           HA       CYS  77   0.555   6.272  -2.895
  524   1HB   CYS  77          2HB       CYS  77  -0.334   7.631  -0.336
  525   2HB   CYS  77          3HB       CYS  77   0.825   8.400  -1.415
  526    H    HIS  78           HN       HIS  78   1.777   7.512   0.083
  527    HA   HIS  78           HA       HIS  78   4.504   6.723  -0.622
  528   1HB   HIS  78          2HB       HIS  78   3.311   8.619   1.431
  529   2HB   HIS  78          3HB       HIS  78   5.041   8.352   1.208
  530    HD1  HIS  78           HND      HIS  78   4.387  11.158   0.907
  531    HD2  HIS  78           HD       HIS  78   3.963   8.428  -2.269
  532    HE1  HIS  78           HE       HIS  78   4.641  12.504  -1.281
  533    H    ALA  79           HN       ALA  79   4.518   4.500  -0.052
  534    HA   ALA  79           HA       ALA  79   4.977   4.104   2.833
  535   1HB   ALA  79          2HB       ALA  79   2.639   3.319   2.393
  536   2HB   ALA  79          3HB       ALA  79   3.278   2.193   1.174
  537   3HB   ALA  79          1HB       ALA  79   3.769   2.037   2.882
  538    H    TYR  80           HN       TYR  80   6.717   2.849   3.199
  539    HA   TYR  80           HA       TYR  80   8.270   1.831   0.831
  540   1HB   TYR  80          2HB       TYR  80   9.070   2.722   3.636
  541   2HB   TYR  80          3HB       TYR  80  10.141   1.974   2.459
  542    HD1  TYR  80           HD2      TYR  80  10.509   3.107   0.226
  543    HD2  TYR  80           HD1      TYR  80   8.696   5.102   3.582
  544    HE1  TYR  80           HE2      TYR  80  10.868   5.298  -0.878
  545    HE2  TYR  80           HE1      TYR  80   9.265   7.299   2.576
  546    HH   TYR  80           HOH      TYR  80  10.837   7.562  -0.629
  547    HA   PRO  81           HA       PRO  81   7.424  -2.121   2.754
  548   1HB   PRO  81          2HB       PRO  81   8.894  -3.673   0.929
  549   2HB   PRO  81          3HB       PRO  81   7.181  -3.192   0.792
  550   1HG   PRO  81          2HG       PRO  81   9.529  -2.133  -0.703
  551   2HG   PRO  81          3HG       PRO  81   7.766  -1.989  -1.019
  552   1HD   PRO  81          2HD       PRO  81   9.429   0.020  -0.012
  553   2HD   PRO  81          3HD       PRO  81   7.659   0.023  -0.221
  554    H    THR  82           HN       THR  82   8.470  -2.693   4.649
  555    HA   THR  82           HA       THR  82  11.387  -2.314   4.791
  556    HB   THR  82           HB       THR  82  10.894  -2.798   7.250
  557    HG1  THR  82           HG1      THR  82   8.598  -3.580   6.571
  558   1HG2  THR  82          2HG2      THR  82  11.292  -0.539   6.311
  559   2HG2  THR  82          3HG2      THR  82   9.577  -0.412   5.872
  560   3HG2  THR  82          1HG2      THR  82  10.050  -0.498   7.580
  561    H    SER  83           HN       SER  83   9.184  -4.892   4.210
  562    HA   SER  83           HA       SER  83  11.286  -6.806   3.998
  563   1HB   SER  83          2HB       SER  83   9.051  -7.275   6.032
  564   2HB   SER  83          3HB       SER  83  10.181  -8.522   5.468
  565    HG   SER  83           HOG      SER  83  11.054  -7.768   7.318
  566    H    ASP  84           HN       ASP  84   9.871  -9.052   3.479
  567    HA   ASP  84           HA       ASP  84   8.140  -8.636   1.223
  568   1HB   ASP  84          2HB       ASP  84   7.696 -11.047   1.606
  569   2HB   ASP  84          3HB       ASP  84   9.402 -10.641   1.393
  570    H    VAL  85           HN       VAL  85   6.212  -7.716   1.478
  571    HA   VAL  85           HA       VAL  85   4.534  -8.226   3.880
  572    HB   VAL  85           HB       VAL  85   5.261  -5.983   4.067
  573   1HG1  VAL  85          3HG1      VAL  85   4.897  -5.877   1.095
  574   2HG1  VAL  85          1HG1      VAL  85   4.859  -4.380   2.008
  575   3HG1  VAL  85          2HG1      VAL  85   6.292  -5.403   2.072
  576   1HG2  VAL  85          2HG2      VAL  85   2.502  -6.437   3.742
  577   2HG2  VAL  85          3HG2      VAL  85   3.270  -5.051   4.455
  578   3HG2  VAL  85          1HG2      VAL  85   2.823  -5.038   2.738
  579    H    VAL  86           HN       VAL  86   2.391  -8.554   3.600
  580    HA   VAL  86           HA       VAL  86   1.449  -8.931   0.795
  581    HB   VAL  86           HB       VAL  86   0.615 -10.554   3.231
  582   1HG1  VAL  86          3HG1      VAL  86  -0.257 -10.496   0.327
  583   2HG1  VAL  86          1HG1      VAL  86  -0.448 -11.968   1.298
  584   3HG1  VAL  86          2HG1      VAL  86  -1.264 -10.466   1.736
  585   1HG2  VAL  86          3HG2      VAL  86   2.368 -11.306   0.833
  586   2HG2  VAL  86          1HG2      VAL  86   2.883 -11.233   2.530
  587   3HG2  VAL  86          2HG2      VAL  86   1.729 -12.465   2.017
  588    H    ILE  87           HN       ILE  87  -0.138  -7.521   0.355
  589    HA   ILE  87           HA       ILE  87  -1.912  -6.638   2.500
  590    HB   ILE  87           HB       ILE  87  -0.402  -4.913   2.505
  591   1HG1  ILE  87          2HG1      ILE  87  -2.815  -4.145   1.866
  592   2HG1  ILE  87          3HG1      ILE  87  -1.482  -2.993   1.840
  593   1HG2  ILE  87          2HG2      ILE  87   0.021  -5.104  -0.411
  594   2HG2  ILE  87          3HG2      ILE  87   0.625  -3.779   0.608
  595   3HG2  ILE  87          1HG2      ILE  87   1.181  -5.435   0.886
  596   1HD1  ILE  87           HD3      ILE  87  -2.100  -4.531  -0.650
  597   2HD1  ILE  87           HD1      ILE  87  -2.993  -3.075  -0.262
  598   3HD1  ILE  87           HD2      ILE  87  -1.237  -2.999  -0.436
  599    H    GLU  88           HN       GLU  88  -3.988  -5.957   1.679
  600    HA   GLU  88           HA       GLU  88  -4.627  -6.865  -1.102
  601   1HB   GLU  88          2HB       GLU  88  -6.609  -6.112   1.001
  602   2HB   GLU  88          3HB       GLU  88  -6.874  -7.137  -0.417
  603   1HG   GLU  88          2HG       GLU  88  -5.599  -8.927   0.750
  604   2HG   GLU  88          3HG       GLU  88  -5.311  -7.812   2.093
  605    H    THR  89           HN       THR  89  -4.709  -5.227  -2.560
  606    HA   THR  89           HA       THR  89  -4.940  -2.428  -1.647
  607    HB   THR  89           HB       THR  89  -4.840  -2.014  -4.155
  608    HG1  THR  89           HG1      THR  89  -5.609  -4.416  -4.407
  609   1HG2  THR  89          1HG2      THR  89  -2.647  -3.676  -2.895
  610   2HG2  THR  89          2HG2      THR  89  -2.500  -2.697  -4.372
  611   3HG2  THR  89          3HG2      THR  89  -2.832  -1.914  -2.820
  612    H    HIS  90           HN       HIS  90  -6.544  -1.000  -2.929
  613    HA   HIS  90           HA       HIS  90  -8.623  -0.366  -3.551
  614   1HB   HIS  90          2HB       HIS  90  -9.346  -3.296  -3.977
  615   2HB   HIS  90          3HB       HIS  90 -10.232  -1.883  -4.515
  616    HD1  HIS  90           HND      HIS  90  -6.434  -2.359  -5.158
  617    HD2  HIS  90           HD       HIS  90 -10.162  -2.361  -7.081
  618    HE1  HIS  90           HE       HIS  90  -5.945  -2.685  -7.605
  619    H    LYS  91           HN       LYS  91  -8.103  -0.233  -0.964
  620    HA   LYS  91           HA       LYS  91 -10.622  -1.166   0.373
  621   1HB   LYS  91          2HB       LYS  91  -7.881  -0.826   1.610
  622   2HB   LYS  91          3HB       LYS  91  -9.310  -1.489   2.390
  623   1HG   LYS  91          2HG       LYS  91  -7.952  -2.748  -0.039
  624   2HG   LYS  91          3HG       LYS  91  -7.759  -3.260   1.633
  625   1HD   LYS  91          2HD       LYS  91  -9.924  -3.887   1.891
  626   2HD   LYS  91          3HD       LYS  91 -10.470  -3.209   0.369
  627   1HE   LYS  91          2HE       LYS  91  -9.725  -4.825  -0.956
  628   2HE   LYS  91          3HE       LYS  91  -8.253  -5.056  -0.029
  629   1HZ   LYS  91          1HNZ      LYS  91 -10.825  -6.045   1.011
  630   2HZ   LYS  91          2HNZ      LYS  91  -9.851  -6.954   0.028
  631   3HZ   LYS  91          3HNZ      LYS  91  -9.290  -6.488   1.455
  632    H    GLU  92           HN       GLU  92 -10.129   1.369  -1.056
  633    HA   GLU  92           HA       GLU  92  -9.790   3.491   0.822
  634   1HB   GLU  92          2HB       GLU  92  -9.612   3.764  -1.558
  635   2HB   GLU  92          3HB       GLU  92 -11.274   3.284  -1.845
  636   1HG   GLU  92          2HG       GLU  92 -10.792   5.616   0.022
  637   2HG   GLU  92          3HG       GLU  92 -10.433   5.839  -1.709
  638    H    GLU  93           HN       GLU  93 -12.916   2.368  -0.602
  639    HA   GLU  93           HA       GLU  93 -14.351   3.393   1.564
  640   1HB   GLU  93          2HB       GLU  93 -16.317   2.392   0.458
  641   2HB   GLU  93          3HB       GLU  93 -15.246   3.162  -0.714
  642   1HG   GLU  93          2HG       GLU  93 -14.286   0.885  -1.266
  643   2HG   GLU  93          3HG       GLU  93 -15.475   0.169  -0.164
  644    H    GLU  94           HN       GLU  94 -12.328   1.091   2.267
  645    HA   GLU  94           HA       GLU  94 -14.154  -0.628   3.871
  646   1HB   GLU  94          2HB       GLU  94 -11.493  -1.025   2.513
  647   2HB   GLU  94          3HB       GLU  94 -11.692  -1.738   4.093
  648   1HG   GLU  94          2HG       GLU  94 -13.990  -2.435   2.482
  649   2HG   GLU  94          3HG       GLU  94 -12.513  -2.803   1.602
  650    H    ILE  95           HN       ILE  95 -11.852   2.036   3.880
  651    HA   ILE  95           HA       ILE  95 -11.232   1.469   6.697
  652    HB   ILE  95           HB       ILE  95  -9.389   2.955   6.503
  653   1HG1  ILE  95          2HG1      ILE  95  -9.863   3.132   3.525
  654   2HG1  ILE  95          3HG1      ILE  95 -10.376   4.396   4.682
  655   1HG2  ILE  95          2HG2      ILE  95  -9.499   0.713   4.408
  656   2HG2  ILE  95          3HG2      ILE  95  -8.022   1.432   5.066
  657   3HG2  ILE  95          1HG2      ILE  95  -9.174   0.644   6.141
  658   1HD1  ILE  95           HD2      ILE  95  -7.512   3.485   4.597
  659   2HD1  ILE  95           HD3      ILE  95  -8.177   4.718   3.511
  660   3HD1  ILE  95           HD1      ILE  95  -8.223   4.956   5.281
  661    H    VAL  96           HN       VAL  96 -12.764   3.839   4.607
  662    HA   VAL  96           HA       VAL  96 -13.174   5.685   6.884
  663    HB   VAL  96           HB       VAL  96 -14.122   7.192   5.290
  664   1HG1  VAL  96          1HG1      VAL  96 -11.570   6.951   5.461
  665   2HG1  VAL  96          2HG1      VAL  96 -11.655   6.048   3.932
  666   3HG1  VAL  96          3HG1      VAL  96 -12.184   7.728   3.994
  667   1HG2  VAL  96          1HG2      VAL  96 -13.808   4.992   3.202
  668   2HG2  VAL  96          2HG2      VAL  96 -15.336   5.658   3.809
  669   3HG2  VAL  96          3HG2      VAL  96 -14.242   6.675   2.862
   
  No H/Q in entry =         668
  Start of MODEL    6
    1   1H    ALA   1          1HN       ALA   1  17.731  -2.657   0.629
    2   2H    ALA   1          2HN       ALA   1  16.692  -2.654  -0.563
    3   2H    ALA   1          3HN       ALA   1  16.692  -2.654  -0.563
    4    HA   ALA   1           HA       ALA   1  18.085  -5.058   0.114
    5   1HB   ALA   1          1HB       ALA   1  17.099  -4.122   2.211
    6   2HB   ALA   1          2HB       ALA   1  15.494  -4.292   1.464
    7   3HB   ALA   1          3HB       ALA   1  16.494  -5.719   1.740
    8    H    THR   2           HN       THR   2  14.853  -3.836  -0.873
    9    HA   THR   2           HA       THR   2  13.518  -4.423  -2.574
   10    HB   THR   2           HB       THR   2  15.679  -6.263  -3.590
   11    HG1  THR   2           HG1      THR   2  15.177  -3.557  -4.246
   12   1HG2  THR   2          1HG2      THR   2  13.267  -4.978  -4.934
   13   2HG2  THR   2          2HG2      THR   2  14.617  -5.745  -5.794
   14   3HG2  THR   2          3HG2      THR   2  13.606  -6.706  -4.707
   15    H    TYR   3           HN       TYR   3  11.671  -5.490  -2.167
   16    HA   TYR   3           HA       TYR   3  11.832  -8.290  -1.119
   17   1HB   TYR   3          2HB       TYR   3  10.124  -6.044  -0.019
   18   2HB   TYR   3          3HB       TYR   3  10.213  -7.702   0.577
   19    HD1  TYR   3           HD2      TYR   3  12.790  -8.488   1.140
   20    HD2  TYR   3           HD1      TYR   3  11.251  -4.468   1.277
   21    HE1  TYR   3           HE2      TYR   3  14.494  -7.894   2.831
   22    HE2  TYR   3           HE1      TYR   3  12.832  -3.942   3.118
   23    HH   TYR   3           HOH      TYR   3  15.223  -6.281   4.328
   24    H    ASN   4           HN       ASN   4   9.774  -9.389  -1.133
   25    HA   ASN   4           HA       ASN   4   8.424  -9.051  -3.715
   26   1HB   ASN   4          2HB       ASN   4   9.438 -11.179  -2.904
   27   2HB   ASN   4          3HB       ASN   4   8.300 -11.227  -1.576
   28   1HD2  ASN   4          2HND      ASN   4   5.519 -12.204  -3.546
   29   2HD2  ASN   4          1HND      ASN   4   5.989 -11.088  -2.261
   30    H    VAL   5           HN       VAL   5   7.020  -7.270  -3.344
   31    HA   VAL   5           HA       VAL   5   5.259  -7.339  -0.957
   32    HB   VAL   5           HB       VAL   5   5.426  -5.337  -3.225
   33   1HG1  VAL   5          2HG1      VAL   5   3.843  -5.347  -0.603
   34   2HG1  VAL   5          3HG1      VAL   5   4.107  -3.904  -1.585
   35   3HG1  VAL   5          1HG1      VAL   5   3.199  -5.270  -2.241
   36   1HG2  VAL   5          1HG2      VAL   5   6.579  -5.316  -0.403
   37   2HG2  VAL   5          2HG2      VAL   5   7.479  -5.297  -1.929
   38   3HG2  VAL   5          3HG2      VAL   5   6.481  -3.900  -1.473
   39    H    LYS   6           HN       LYS   6   3.329  -8.509  -1.078
   40    HA   LYS   6           HA       LYS   6   2.111  -8.841  -3.750
   41   1HB   LYS   6          2HB       LYS   6   2.328 -10.762  -2.152
   42   2HB   LYS   6          3HB       LYS   6   1.155  -9.917  -1.127
   43   1HG   LYS   6          2HG       LYS   6  -0.394  -9.779  -3.191
   44   2HG   LYS   6          3HG       LYS   6   0.792 -10.786  -4.036
   45   1HD   LYS   6          2HD       LYS   6  -0.992 -11.489  -1.669
   46   2HD   LYS   6          3HD       LYS   6  -0.970 -12.000  -3.356
   47   1HE   LYS   6          2HE       LYS   6   1.393 -12.914  -2.881
   48   2HE   LYS   6          3HE       LYS   6   1.027 -12.719  -1.184
   49   1HZ   LYS   6          1HNZ      LYS   6  -0.839 -14.111  -3.061
   50   2HZ   LYS   6          2HNZ      LYS   6   0.455 -14.931  -2.391
   51   3HZ   LYS   6          3HNZ      LYS   6  -0.747 -14.295  -1.449
   52    H    LEU   7           HN       LEU   7   0.434  -7.801  -4.475
   53    HA   LEU   7           HA       LEU   7  -1.258  -6.176  -2.651
   54   1HB   LEU   7          2HB       LEU   7  -0.695  -5.786  -5.606
   55   2HB   LEU   7          3HB       LEU   7  -1.657  -4.735  -4.609
   56    HG   LEU   7           HG       LEU   7   1.343  -5.204  -4.332
   57   1HD1  LEU   7          3HD1      LEU   7  -0.257  -3.018  -5.655
   58   2HD1  LEU   7          1HD1      LEU   7   1.505  -2.938  -5.366
   59   3HD1  LEU   7          2HD1      LEU   7   0.817  -4.184  -6.435
   60   1HD2  LEU   7          1HD2      LEU   7  -0.324  -4.232  -2.396
   61   2HD2  LEU   7          2HD2      LEU   7   1.349  -3.680  -2.601
   62   3HD2  LEU   7          3HD2      LEU   7   0.001  -2.739  -3.275
   63    H    ILE   8           HN       ILE   8  -2.881  -7.471  -2.111
   64    HA   ILE   8           HA       ILE   8  -4.127  -9.223  -4.118
   65    HB   ILE   8           HB       ILE   8  -4.796  -8.475  -1.273
   66   1HG1  ILE   8          2HG1      ILE   8  -4.067 -11.219  -2.185
   67   2HG1  ILE   8          3HG1      ILE   8  -2.781 -10.028  -1.932
   68   1HG2  ILE   8          3HG2      ILE   8  -6.216 -10.415  -3.132
   69   2HG2  ILE   8          1HG2      ILE   8  -6.493 -10.293  -1.382
   70   3HG2  ILE   8          2HG2      ILE   8  -6.902  -8.934  -2.431
   71   1HD1  ILE   8           HD1      ILE   8  -4.822 -10.821   0.170
   72   2HD1  ILE   8           HD2      ILE   8  -3.144 -11.382   0.065
   73   3HD1  ILE   8           HD3      ILE   8  -3.478  -9.662   0.353
   74    H    THR   9           HN       THR   9  -4.537  -7.862  -5.784
   75    HA   THR   9           HA       THR   9  -6.264  -5.540  -5.460
   76    HB   THR   9           HB       THR   9  -5.989  -5.468  -7.901
   77    HG1  THR   9           HG1      THR   9  -5.671  -7.776  -8.244
   78   1HG2  THR   9          1HG2      THR   9  -3.358  -5.880  -6.398
   79   2HG2  THR   9          2HG2      THR   9  -3.488  -5.198  -8.019
   80   3HG2  THR   9          3HG2      THR   9  -4.213  -4.330  -6.659
   81    HA   PRO  10           HA       PRO  10 -10.026  -7.751  -6.063
   82   1HB   PRO  10          2HB       PRO  10 -11.038  -6.006  -8.134
   83   2HB   PRO  10          3HB       PRO  10 -11.616  -6.233  -6.456
   84   1HG   PRO  10          2HG       PRO  10 -10.214  -4.104  -7.584
   85   2HG   PRO  10          3HG       PRO  10 -10.379  -4.346  -5.827
   86   1HD   PRO  10          2HD       PRO  10  -8.063  -4.677  -7.518
   87   2HD   PRO  10          3HD       PRO  10  -8.162  -4.656  -5.786
   88    H    ASP  11           HN       ASP  11  -8.241  -6.876  -8.968
   89    HA   ASP  11           HA       ASP  11  -9.283  -8.541 -10.969
   90   1HB   ASP  11          2HB       ASP  11  -6.572  -7.313 -10.315
   91   2HB   ASP  11          3HB       ASP  11  -6.731  -8.442 -11.645
   92    H    GLY  12           HN       GLY  12  -7.284  -9.213  -8.190
   93   1HA   GLY  12          2HA       GLY  12  -7.390 -11.279  -7.234
   94   2HA   GLY  12          3HA       GLY  12  -7.270 -12.131  -8.792
   95    H    GLU  13           HN       GLU  13  -5.489  -9.712  -6.884
   96    HA   GLU  13           HA       GLU  13  -3.380  -9.468  -6.162
   97   1HB   GLU  13          2HB       GLU  13  -3.136 -12.364  -6.895
   98   2HB   GLU  13          3HB       GLU  13  -1.864 -11.448  -6.109
   99   1HG   GLU  13          2HG       GLU  13  -3.015 -11.227  -4.113
  100   2HG   GLU  13          3HG       GLU  13  -4.581 -11.642  -4.828
  101    H    VAL  14           HN       VAL  14  -1.181  -9.130  -6.834
  102    HA   VAL  14           HA       VAL  14  -0.570  -9.684  -9.713
  103    HB   VAL  14           HB       VAL  14   0.469  -7.413  -9.873
  104   1HG1  VAL  14          1HG1      VAL  14  -1.792  -8.000 -10.818
  105   2HG1  VAL  14          2HG1      VAL  14  -2.513  -7.359  -9.317
  106   3HG1  VAL  14          3HG1      VAL  14  -1.600  -6.289 -10.396
  107   1HG2  VAL  14          2HG2      VAL  14  -0.858  -7.123  -7.180
  108   2HG2  VAL  14          3HG2      VAL  14   0.692  -6.453  -7.731
  109   3HG2  VAL  14          1HG2      VAL  14  -0.863  -5.764  -8.250
  110    H    GLU  15           HN       GLU  15   1.009  -8.278  -6.876
  111    HA   GLU  15           HA       GLU  15   2.814  -8.840  -5.704
  112   1HB   GLU  15          2HB       GLU  15   1.933 -11.314  -6.415
  113   2HB   GLU  15          3HB       GLU  15   3.536 -11.340  -7.170
  114   1HG   GLU  15          2HG       GLU  15   4.669 -11.035  -5.164
  115   2HG   GLU  15          3HG       GLU  15   3.212 -10.620  -4.266
  116    H    PHE  16           HN       PHE  16   4.892  -8.075  -5.727
  117    HA   PHE  16           HA       PHE  16   6.485  -8.132  -8.157
  118   1HB   PHE  16          2HB       PHE  16   6.378  -6.041  -8.894
  119   2HB   PHE  16          3HB       PHE  16   4.703  -6.457  -8.681
  120    HD1  PHE  16           HD1      PHE  16   3.865  -5.841  -6.091
  121    HD2  PHE  16           HD2      PHE  16   7.179  -4.026  -8.183
  122    HE1  PHE  16           HE1      PHE  16   3.821  -3.969  -4.547
  123    HE2  PHE  16           HE2      PHE  16   7.192  -2.223  -6.597
  124    HZ   PHE  16           HZ       PHE  16   5.413  -2.020  -4.859
  125    H    LYS  17           HN       LYS  17   8.349  -6.396  -7.988
  126    HA   LYS  17           HA       LYS  17   9.533  -6.914  -5.306
  127   1HB   LYS  17          2HB       LYS  17  10.597  -6.981  -8.039
  128   2HB   LYS  17          3HB       LYS  17  11.550  -5.958  -6.971
  129   1HG   LYS  17          2HG       LYS  17  12.330  -8.307  -7.036
  130   2HG   LYS  17          3HG       LYS  17  11.922  -7.724  -5.403
  131   1HD   LYS  17          2HD       LYS  17  10.221  -9.153  -5.081
  132   2HD   LYS  17          3HD       LYS  17   9.663  -8.940  -6.722
  133   1HE   LYS  17          2HE       LYS  17  10.253 -11.267  -6.377
  134   2HE   LYS  17          3HE       LYS  17  11.343 -10.540  -7.567
  135   1HZ   LYS  17          2HNZ      LYS  17  11.946 -10.979  -4.709
  136   2HZ   LYS  17          3HNZ      LYS  17  12.525 -11.871  -5.963
  137   3HZ   LYS  17          1HNZ      LYS  17  12.975 -10.296  -5.800
  138    H    CYS  18           HN       CYS  18   9.795  -5.250  -3.945
  139    HA   CYS  18           HA       CYS  18   9.724  -2.470  -5.063
  140   1HB   CYS  18          2HB       CYS  18   7.539  -3.123  -4.085
  141   2HB   CYS  18          3HB       CYS  18   8.403  -3.273  -2.554
  142    HG   CYS  18           HSG      CYS  18   8.304  -0.717  -4.703
  143    H    ASP  19           HN       ASP  19  11.428  -1.272  -4.443
  144    HA   ASP  19           HA       ASP  19  13.355  -2.335  -2.544
  145   1HB   ASP  19          2HB       ASP  19  13.303   0.372  -3.894
  146   2HB   ASP  19          3HB       ASP  19  14.619  -0.359  -2.961
  147    H    ASP  20           HN       ASP  20  13.762  -1.691  -0.696
  148    HA   ASP  20           HA       ASP  20  11.908  -0.813   1.250
  149   1HB   ASP  20          2HB       ASP  20  14.185  -0.671   2.617
  150   2HB   ASP  20          3HB       ASP  20  13.528  -2.204   2.082
  151    H    ASP  21           HN       ASP  21  14.054   0.864  -0.820
  152    HA   ASP  21           HA       ASP  21  13.817   3.423   0.670
  153   1HB   ASP  21          2HB       ASP  21  15.622   2.478  -1.603
  154   2HB   ASP  21          3HB       ASP  21  15.614   4.099  -0.923
  155    H    VAL  22           HN       VAL  22  11.809   1.891  -1.473
  156    HA   VAL  22           HA       VAL  22  11.158   4.456  -2.815
  157    HB   VAL  22           HB       VAL  22  12.497   2.724  -4.273
  158   1HG1  VAL  22          2HG1      VAL  22  11.004   0.765  -3.794
  159   2HG1  VAL  22          3HG1      VAL  22   9.697   1.588  -4.657
  160   3HG1  VAL  22          1HG1      VAL  22  11.202   1.187  -5.498
  161   1HG2  VAL  22          3HG2      VAL  22  11.399   4.821  -5.081
  162   2HG2  VAL  22          1HG2      VAL  22  11.318   3.490  -6.251
  163   3HG2  VAL  22          2HG2      VAL  22   9.888   3.904  -5.293
  164    H    TYR  23           HN       TYR  23   8.942   4.572  -3.582
  165    HA   TYR  23           HA       TYR  23   7.222   3.523  -1.517
  166   1HB   TYR  23          2HB       TYR  23   6.551   5.131  -3.990
  167   2HB   TYR  23          3HB       TYR  23   5.457   4.808  -2.648
  168    HD1  TYR  23           HD2      TYR  23   6.777   5.354  -0.206
  169    HD2  TYR  23           HD1      TYR  23   7.277   7.366  -3.992
  170    HE1  TYR  23           HE2      TYR  23   7.144   7.493   0.970
  171    HE2  TYR  23           HE1      TYR  23   7.858   9.455  -2.789
  172    HH   TYR  23           HOH      TYR  23   7.367   9.860   0.666
  173    H    VAL  24           HN       VAL  24   5.537   2.047  -1.734
  174    HA   VAL  24           HA       VAL  24   5.792  -0.047  -3.584
  175    HB   VAL  24           HB       VAL  24   3.088   0.673  -2.400
  176   1HG1  VAL  24          1HG1      VAL  24   3.318  -1.312  -3.934
  177   2HG1  VAL  24          2HG1      VAL  24   4.533  -1.967  -2.794
  178   3HG1  VAL  24          3HG1      VAL  24   2.847  -1.746  -2.282
  179   1HG2  VAL  24          1HG2      VAL  24   5.557  -0.347  -0.936
  180   2HG2  VAL  24          2HG2      VAL  24   4.361   0.873  -0.464
  181   3HG2  VAL  24          3HG2      VAL  24   3.914  -0.818  -0.436
  182    H    LEU  25           HN       LEU  25   3.477   2.692  -3.757
  183    HA   LEU  25           HA       LEU  25   2.638   1.973  -6.462
  184   1HB   LEU  25          2HB       LEU  25   1.031   2.611  -4.981
  185   2HB   LEU  25          3HB       LEU  25   1.852   4.089  -4.451
  186    HG   LEU  25           HG       LEU  25   1.105   3.996  -7.323
  187   1HD1  LEU  25          2HD1      LEU  25  -0.790   2.705  -6.198
  188   2HD1  LEU  25          3HD1      LEU  25  -1.169   4.190  -5.321
  189   3HD1  LEU  25          1HD1      LEU  25  -1.243   4.139  -7.097
  190   1HD2  LEU  25          3HD2      LEU  25   0.441   5.927  -5.018
  191   2HD2  LEU  25          1HD2      LEU  25   1.809   6.133  -6.114
  192   3HD2  LEU  25          2HD2      LEU  25   0.148   6.262  -6.717
  193    H    ASP  26           HN       ASP  26   5.296   2.234  -6.526
  194    HA   ASP  26           HA       ASP  26   5.565   4.355  -8.559
  195   1HB   ASP  26          2HB       ASP  26   6.587   5.086  -6.359
  196   2HB   ASP  26          3HB       ASP  26   7.696   3.743  -6.452
  197    H    GLN  27           HN       GLN  27   7.609   1.831  -7.011
  198    HA   GLN  27           HA       GLN  27   8.535   0.902  -9.478
  199   1HB   GLN  27          2HB       GLN  27   9.807   0.757  -7.438
  200   2HB   GLN  27          3HB       GLN  27   8.631  -0.351  -6.702
  201   1HG   GLN  27          2HG       GLN  27   9.189  -2.058  -8.291
  202   2HG   GLN  27          3HG       GLN  27  10.201  -0.928  -9.219
  203   1HE2  GLN  27          2HNE      GLN  27  12.678  -2.793  -7.281
  204   2HE2  GLN  27          1HNE      GLN  27  11.623  -2.960  -8.705
  205    H    ALA  28           HN       ALA  28   5.479   0.356  -8.005
  206    HA   ALA  28           HA       ALA  28   4.981  -2.302  -9.107
  207   1HB   ALA  28          2HB       ALA  28   3.842  -1.284  -7.118
  208   2HB   ALA  28          3HB       ALA  28   3.035  -0.154  -8.244
  209   3HB   ALA  28          1HB       ALA  28   2.774  -1.903  -8.357
  210    H    GLU  29           HN       GLU  29   3.871   1.008 -10.048
  211    HA   GLU  29           HA       GLU  29   2.424   0.152 -12.324
  212   1HB   GLU  29          2HB       GLU  29   3.725   2.812 -11.616
  213   2HB   GLU  29          3HB       GLU  29   3.023   2.518 -13.208
  214   1HG   GLU  29          2HG       GLU  29   0.878   1.792 -12.097
  215   2HG   GLU  29          3HG       GLU  29   1.523   2.424 -10.576
  216    H    GLU  30           HN       GLU  30   5.927   0.938 -11.990
  217    HA   GLU  30           HA       GLU  30   6.414   0.622 -14.761
  218   1HB   GLU  30          2HB       GLU  30   8.696   0.693 -14.375
  219   2HB   GLU  30          3HB       GLU  30   7.928   1.761 -13.206
  220   1HG   GLU  30          2HG       GLU  30   9.191   0.728 -11.665
  221   2HG   GLU  30          3HG       GLU  30   8.019  -0.594 -11.796
  222    H    GLU  31           HN       GLU  31   5.894  -1.914 -12.430
  223    HA   GLU  31           HA       GLU  31   6.847  -3.953 -14.311
  224   1HB   GLU  31          2HB       GLU  31   5.044  -4.338 -11.901
  225   2HB   GLU  31          3HB       GLU  31   6.071  -5.526 -12.713
  226   1HG   GLU  31          2HG       GLU  31   7.714  -3.270 -11.955
  227   2HG   GLU  31          3HG       GLU  31   6.689  -3.651 -10.600
  228    H    GLY  32           HN       GLY  32   3.952  -2.176 -13.592
  229   1HA   GLY  32          2HA       GLY  32   2.365  -1.945 -15.458
  230   2HA   GLY  32          3HA       GLY  32   2.356  -3.704 -15.638
  231    H    ILE  33           HN       ILE  33   2.541  -2.648 -12.310
  232    HA   ILE  33           HA       ILE  33  -0.075  -3.791 -11.793
  233    HB   ILE  33           HB       ILE  33   1.863  -2.198 -10.169
  234   1HG1  ILE  33          2HG1      ILE  33   1.282  -5.163 -10.386
  235   2HG1  ILE  33          3HG1      ILE  33   2.753  -4.358 -10.975
  236   1HG2  ILE  33          3HG2      ILE  33  -0.767  -2.512  -9.354
  237   2HG2  ILE  33          1HG2      ILE  33  -0.031  -3.964  -8.730
  238   3HG2  ILE  33          2HG2      ILE  33   0.604  -2.400  -8.257
  239   1HD1  ILE  33           HD1      ILE  33   2.236  -4.100  -8.049
  240   2HD1  ILE  33           HD2      ILE  33   2.735  -5.661  -8.696
  241   3HD1  ILE  33           HD3      ILE  33   3.722  -4.202  -8.994
  242    H    ASP  34           HN       ASP  34  -1.971  -2.784 -11.965
  243    HA   ASP  34           HA       ASP  34  -2.195   0.182 -11.907
  244   1HB   ASP  34          2HB       ASP  34  -3.334  -1.139 -13.644
  245   2HB   ASP  34          3HB       ASP  34  -4.280  -1.985 -12.397
  246    H    ILE  35           HN       ILE  35  -2.301   1.055  -9.844
  247    HA   ILE  35           HA       ILE  35  -4.161  -0.190  -7.975
  248    HB   ILE  35           HB       ILE  35  -2.337   0.883  -6.239
  249   1HG1  ILE  35          2HG1      ILE  35  -0.598  -0.353  -8.415
  250   2HG1  ILE  35          3HG1      ILE  35  -0.654   1.355  -7.986
  251   1HG2  ILE  35          1HG2      ILE  35  -3.479  -1.336  -6.174
  252   2HG2  ILE  35          2HG2      ILE  35  -2.245  -1.959  -7.295
  253   3HG2  ILE  35          3HG2      ILE  35  -1.796  -1.375  -5.670
  254   1HD1  ILE  35           HD3      ILE  35   0.006   0.620  -5.591
  255   2HD1  ILE  35           HD1      ILE  35   0.274  -0.984  -6.273
  256   3HD1  ILE  35           HD2      ILE  35   1.229   0.362  -6.856
  257    HA   PRO  36           HA       PRO  36  -6.056   3.532  -7.859
  258   1HB   PRO  36          2HB       PRO  36  -6.329   4.056  -5.020
  259   2HB   PRO  36          3HB       PRO  36  -7.510   3.385  -6.158
  260   1HG   PRO  36          2HG       PRO  36  -6.056   1.955  -4.115
  261   2HG   PRO  36          3HG       PRO  36  -7.198   1.305  -5.318
  262   1HD   PRO  36          2HD       PRO  36  -4.294   1.108  -5.261
  263   2HD   PRO  36          3HD       PRO  36  -5.457   0.317  -6.342
  264    H    TYR  37           HN       TYR  37  -4.573   5.008  -8.718
  265    HA   TYR  37           HA       TYR  37  -2.372   5.988  -7.209
  266   1HB   TYR  37          2HB       TYR  37  -3.013   5.893  -9.885
  267   2HB   TYR  37          3HB       TYR  37  -3.157   7.613  -9.555
  268    HD1  TYR  37           HD1      TYR  37  -0.904   4.680  -9.678
  269    HD2  TYR  37           HD2      TYR  37  -1.130   8.915  -8.918
  270    HE1  TYR  37           HE1      TYR  37   1.565   4.785  -9.496
  271    HE2  TYR  37           HE2      TYR  37   1.349   9.012  -8.785
  272    HH   TYR  37           HOH      TYR  37   3.229   6.062  -8.391
  273    H    SER  38           HN       SER  38  -5.388   7.511  -8.110
  274    HA   SER  38           HA       SER  38  -6.368   9.458  -7.687
  275   1HB   SER  38          2HB       SER  38  -6.451   7.605  -5.411
  276   2HB   SER  38          3HB       SER  38  -7.022   9.242  -5.047
  277    HG   SER  38           HOG      SER  38  -8.696   8.023  -5.873
  278    H    CYS  39           HN       CYS  39  -3.269   9.786  -6.420
  279    HA   CYS  39           HA       CYS  39  -3.378  12.592  -6.485
  280   1HB   CYS  39          2HB       CYS  39  -2.884  13.128  -4.258
  281   2HB   CYS  39          3HB       CYS  39  -4.362  12.191  -4.212
  282    H    ARG  40           HN       ARG  40  -0.974  12.639  -4.754
  283    HA   ARG  40           HA       ARG  40   0.318  10.311  -4.642
  284   1HB   ARG  40          2HB       ARG  40   0.957  10.425  -7.025
  285   2HB   ARG  40          3HB       ARG  40   1.779  11.955  -6.761
  286   1HG   ARG  40          2HG       ARG  40   2.616   9.866  -4.838
  287   2HG   ARG  40          3HG       ARG  40   2.755   9.261  -6.472
  288   1HD   ARG  40          2HD       ARG  40   3.851  12.018  -5.943
  289   2HD   ARG  40          3HD       ARG  40   4.682  10.655  -5.179
  290    HE   ARG  40           HNE      ARG  40   4.342   9.860  -7.814
  291   1HH1  ARG  40          2HN2      ARG  40   5.874  12.555  -6.167
  292   2HH1  ARG  40          1HN2      ARG  40   7.240  12.679  -7.235
  293   1HH2  ARG  40          2HN1      ARG  40   6.186   9.898  -9.219
  294   2HH2  ARG  40          1HN1      ARG  40   7.410  11.112  -9.037
  295    H    ALA  41           HN       ALA  41  -0.068  11.477  -2.637
  296    HA   ALA  41           HA       ALA  41   2.115  12.338  -1.224
  297   1HB   ALA  41          2HB       ALA  41   0.646  14.717  -2.442
  298   2HB   ALA  41          3HB       ALA  41   1.600  14.819  -0.949
  299   3HB   ALA  41          1HB       ALA  41   2.399  14.395  -2.458
  300    H    GLY  42           HN       GLY  42   1.243  11.408   0.512
  301   1HA   GLY  42          2HA       GLY  42  -1.007  10.856   1.747
  302   2HA   GLY  42          3HA       GLY  42   0.318  11.649   2.558
  303    H    SER  43           HN       SER  43  -2.716  12.449   0.873
  304    HA   SER  43           HA       SER  43  -3.314  14.583   2.799
  305   1HB   SER  43          2HB       SER  43  -1.649  15.630   1.229
  306   2HB   SER  43          3HB       SER  43  -2.716  15.251  -0.128
  307    HG   SER  43           HOG      SER  43  -3.369  16.882   2.115
  308    H    CYS  44           HN       CYS  44  -4.053  13.419  -0.527
  309    HA   CYS  44           HA       CYS  44  -6.646  14.180  -0.785
  310   1HB   CYS  44          2HB       CYS  44  -6.621  12.930  -2.609
  311   2HB   CYS  44          3HB       CYS  44  -4.923  12.701  -2.218
  312    H    SER  45           HN       SER  45  -5.506  11.266   0.771
  313    HA   SER  45           HA       SER  45  -6.253  10.026   2.447
  314   1HB   SER  45          2HB       SER  45  -8.689  11.850   2.673
  315   2HB   SER  45          3HB       SER  45  -8.207  10.614   3.811
  316    HG   SER  45           HOG      SER  45  -6.616  12.869   3.056
  317    H    SER  46           HN       SER  46  -6.346   8.784   0.245
  318    HA   SER  46           HA       SER  46  -8.839   7.255   0.419
  319   1HB   SER  46          2HB       SER  46  -9.493   7.345  -1.781
  320   2HB   SER  46          3HB       SER  46  -9.112   9.023  -1.430
  321    HG   SER  46           HOG      SER  46  -7.165   8.720  -2.578
  322    H    CYS  47           HN       CYS  47  -7.624   6.120  -2.258
  323    HA   CYS  47           HA       CYS  47  -7.057   4.007  -2.697
  324   1HB   CYS  47          2HB       CYS  47  -4.727   3.566  -2.634
  325   2HB   CYS  47          3HB       CYS  47  -5.081   5.184  -3.197
  326    H    ALA  48           HN       ALA  48  -5.486   4.333   0.410
  327    HA   ALA  48           HA       ALA  48  -4.823   2.849   1.943
  328   1HB   ALA  48          2HB       ALA  48  -7.117   3.567   2.537
  329   2HB   ALA  48          3HB       ALA  48  -7.735   2.040   1.891
  330   3HB   ALA  48          1HB       ALA  48  -6.636   2.026   3.286
  331    H    GLY  49           HN       GLY  49  -4.931   0.529   2.868
  332   1HA   GLY  49          2HA       GLY  49  -5.862  -1.534   1.136
  333   2HA   GLY  49          3HA       GLY  49  -4.094  -1.490   1.198
  334    H    LYS  50           HN       LYS  50  -5.553  -3.699   2.218
  335    HA   LYS  50           HA       LYS  50  -5.455  -3.425   5.121
  336   1HB   LYS  50          2HB       LYS  50  -7.300  -4.481   3.566
  337   2HB   LYS  50          3HB       LYS  50  -6.317  -5.932   3.673
  338   1HG   LYS  50          2HG       LYS  50  -6.696  -6.199   5.976
  339   2HG   LYS  50          3HG       LYS  50  -6.957  -4.468   6.225
  340   1HD   LYS  50          2HD       LYS  50  -9.022  -4.684   4.750
  341   2HD   LYS  50          3HD       LYS  50  -8.912  -6.432   5.023
  342   1HE   LYS  50          2HE       LYS  50  -9.027  -6.098   7.474
  343   2HE   LYS  50          3HE       LYS  50  -8.906  -4.363   7.304
  344   1HZ   LYS  50          1HNZ      LYS  50 -11.205  -5.818   6.191
  345   2HZ   LYS  50          2HNZ      LYS  50 -11.177  -5.104   7.677
  346   3HZ   LYS  50          3HNZ      LYS  50 -11.012  -4.185   6.341
  347    H    VAL  51           HN       VAL  51  -3.545  -3.916   6.113
  348    HA   VAL  51           HA       VAL  51  -1.366  -5.346   4.858
  349    HB   VAL  51           HB       VAL  51  -1.972  -4.631   7.787
  350   1HG1  VAL  51          3HG1      VAL  51   0.652  -5.528   6.527
  351   2HG1  VAL  51          1HG1      VAL  51   0.448  -4.899   8.180
  352   3HG1  VAL  51          2HG1      VAL  51  -0.315  -6.424   7.725
  353   1HG2  VAL  51          1HG2      VAL  51  -0.210  -3.179   5.780
  354   2HG2  VAL  51          2HG2      VAL  51  -1.780  -2.624   6.415
  355   3HG2  VAL  51          3HG2      VAL  51  -0.394  -2.739   7.490
  356    H    VAL  52           HN       VAL  52  -1.603  -7.493   4.375
  357    HA   VAL  52           HA       VAL  52  -3.250  -9.261   6.098
  358    HB   VAL  52           HB       VAL  52  -1.619  -9.680   3.594
  359   1HG1  VAL  52          3HG1      VAL  52  -3.249 -11.729   5.149
  360   2HG1  VAL  52          1HG1      VAL  52  -2.650 -11.960   3.493
  361   3HG1  VAL  52          2HG1      VAL  52  -1.502 -11.790   4.820
  362   1HG2  VAL  52          2HG2      VAL  52  -4.612  -9.664   4.142
  363   2HG2  VAL  52          3HG2      VAL  52  -3.656  -8.476   3.223
  364   3HG2  VAL  52          1HG2      VAL  52  -3.872 -10.121   2.599
  365    H    SER  53           HN       SER  53   0.220  -8.794   5.155
  366    HA   SER  53           HA       SER  53   1.073  -9.774   7.736
  367   1HB   SER  53          2HB       SER  53   0.509 -11.925   6.425
  368   2HB   SER  53          3HB       SER  53   1.863 -11.507   5.359
  369    HG   SER  53           HOG      SER  53   1.875 -12.118   8.128
  370    H    GLY  54           HN       GLY  54   3.547 -10.143   7.596
  371   1HA   GLY  54          2HA       GLY  54   5.551  -8.980   7.521
  372   2HA   GLY  54          3HA       GLY  54   5.103  -8.319   5.957
  373    H    SER  55           HN       SER  55   6.135  -6.300   6.875
  374    HA   SER  55           HA       SER  55   4.119  -4.585   8.119
  375   1HB   SER  55          2HB       SER  55   7.000  -4.449   9.076
  376   2HB   SER  55          3HB       SER  55   5.544  -3.747   9.799
  377    HG   SER  55           HOG      SER  55   6.204  -6.508   9.676
  378    H    ILE  56           HN       ILE  56   4.714  -2.267   7.586
  379    HA   ILE  56           HA       ILE  56   6.944  -1.793   5.797
  380    HB   ILE  56           HB       ILE  56   5.492  -0.651   4.169
  381   1HG1  ILE  56          2HG1      ILE  56   3.135  -1.969   5.528
  382   2HG1  ILE  56          3HG1      ILE  56   3.512  -0.247   5.624
  383   1HG2  ILE  56          1HG2      ILE  56   6.207  -3.169   4.038
  384   2HG2  ILE  56          2HG2      ILE  56   4.538  -3.494   4.425
  385   3HG2  ILE  56          3HG2      ILE  56   4.951  -2.629   2.924
  386   1HD1  ILE  56           HD1      ILE  56   3.447  -1.123   2.807
  387   2HD1  ILE  56           HD2      ILE  56   1.938  -1.463   3.661
  388   3HD1  ILE  56           HD3      ILE  56   2.609   0.179   3.629
  389    H    ASP  57           HN       ASP  57   7.038   0.658   5.436
  390    HA   ASP  57           HA       ASP  57   6.120   2.058   7.926
  391   1HB   ASP  57          2HB       ASP  57   8.573   1.774   7.799
  392   2HB   ASP  57          3HB       ASP  57   8.589   2.580   6.220
  393    H    GLN  58           HN       GLN  58   4.329   3.118   7.368
  394    HA   GLN  58           HA       GLN  58   4.282   4.731   4.850
  395   1HB   GLN  58          2HB       GLN  58   1.835   4.930   5.410
  396   2HB   GLN  58          3HB       GLN  58   2.378   3.309   4.947
  397   1HG   GLN  58          2HG       GLN  58   2.337   2.557   7.199
  398   2HG   GLN  58          3HG       GLN  58   2.238   4.194   7.850
  399   1HE2  GLN  58          2HNE      GLN  58  -1.057   2.455   7.988
  400   2HE2  GLN  58          1HNE      GLN  58   0.564   2.130   8.557
  401    H    SER  59           HN       SER  59   5.815   5.401   7.469
  402    HA   SER  59           HA       SER  59   4.295   7.518   8.695
  403   1HB   SER  59          2HB       SER  59   6.052   6.151   9.830
  404   2HB   SER  59          3HB       SER  59   7.277   6.914   8.804
  405    HG   SER  59           HOG      SER  59   6.584   8.929   9.645
  406    H    ASP  60           HN       ASP  60   4.256   8.038   5.945
  407    HA   ASP  60           HA       ASP  60   5.734  10.615   5.721
  408   1HB   ASP  60          2HB       ASP  60   6.741   8.699   4.362
  409   2HB   ASP  60          3HB       ASP  60   5.213   8.619   3.476
  410    H    GLN  61           HN       GLN  61   2.744   9.296   6.261
  411    HA   GLN  61           HA       GLN  61   1.350  10.902   4.240
  412   1HB   GLN  61          2HB       GLN  61  -0.093   9.219   3.988
  413   2HB   GLN  61          3HB       GLN  61   1.306   8.278   4.517
  414   1HG   GLN  61          2HG       GLN  61  -1.207   8.932   6.082
  415   2HG   GLN  61          3HG       GLN  61  -0.623   7.379   5.507
  416   1HE2  GLN  61          2HNE      GLN  61   0.133   7.053   8.972
  417   2HE2  GLN  61          1HNE      GLN  61  -1.210   6.884   7.854
  418    H    SER  62           HN       SER  62  -1.051  11.168   5.089
  419    HA   SER  62           HA       SER  62  -1.381  11.698   7.919
  420   1HB   SER  62          2HB       SER  62  -1.355  14.000   5.919
  421   2HB   SER  62          3HB       SER  62  -2.209  14.072   7.470
  422    HG   SER  62           HOG      SER  62   0.468  13.238   7.495
  423    H    PHE  63           HN       PHE  63  -2.754   9.882   7.361
  424    HA   PHE  63           HA       PHE  63  -5.408  10.815   6.797
  425   1HB   PHE  63          2HB       PHE  63  -4.969  10.430   4.517
  426   2HB   PHE  63          3HB       PHE  63  -4.128   8.909   4.838
  427    HD1  PHE  63           HD2      PHE  63  -7.409   9.680   6.516
  428    HD2  PHE  63           HD1      PHE  63  -5.455   7.742   3.159
  429    HE1  PHE  63           HE2      PHE  63  -9.425   8.383   6.070
  430    HE2  PHE  63           HE1      PHE  63  -7.531   6.546   2.683
  431    HZ   PHE  63           HZ       PHE  63  -9.567   6.954   4.037
  432    H    LEU  64           HN       LEU  64  -4.100   7.419   6.553
  433    HA   LEU  64           HA       LEU  64  -6.196   6.460   7.950
  434   1HB   LEU  64          2HB       LEU  64  -3.421   5.288   7.729
  435   2HB   LEU  64          3HB       LEU  64  -4.645   4.539   8.723
  436    HG   LEU  64           HG       LEU  64  -6.213   4.500   6.736
  437   1HD1  LEU  64          2HD1      LEU  64  -3.597   5.096   5.286
  438   2HD1  LEU  64          3HD1      LEU  64  -5.054   4.452   4.500
  439   3HD1  LEU  64          1HD1      LEU  64  -5.083   6.064   5.230
  440   1HD2  LEU  64          1HD2      LEU  64  -3.611   2.957   6.765
  441   2HD2  LEU  64          2HD2      LEU  64  -5.098   2.573   7.659
  442   3HD2  LEU  64          3HD2      LEU  64  -5.081   2.460   5.882
  443    H    ASP  65           HN       ASP  65  -6.792   6.043   9.987
  444    HA   ASP  65           HA       ASP  65  -5.390   7.480  12.146
  445   1HB   ASP  65          2HB       ASP  65  -8.001   5.935  12.091
  446   2HB   ASP  65          3HB       ASP  65  -7.358   6.768  13.513
  447    H    ASP  66           HN       ASP  66  -5.145   6.375  14.256
  448    HA   ASP  66           HA       ASP  66  -3.313   4.224  14.138
  449   1HB   ASP  66          2HB       ASP  66  -5.048   5.305  16.414
  450   2HB   ASP  66          3HB       ASP  66  -3.788   4.079  16.619
  451    H    GLU  67           HN       GLU  67  -6.800   4.388  14.789
  452    HA   GLU  67           HA       GLU  67  -7.331   1.765  15.482
  453   1HB   GLU  67          2HB       GLU  67  -9.304   3.143  13.637
  454   2HB   GLU  67          3HB       GLU  67  -9.538   2.288  15.155
  455   1HG   GLU  67          2HG       GLU  67  -8.389   4.325  16.244
  456   2HG   GLU  67          3HG       GLU  67  -8.669   5.131  14.682
  457    H    GLN  68           HN       GLN  68  -7.671   3.172  12.190
  458    HA   GLN  68           HA       GLN  68  -8.053   0.834  10.782
  459   1HB   GLN  68          2HB       GLN  68  -6.659   3.392   9.954
  460   2HB   GLN  68          3HB       GLN  68  -7.232   2.157   8.830
  461   1HG   GLN  68          2HG       GLN  68  -9.504   2.407   9.447
  462   2HG   GLN  68          3HG       GLN  68  -9.114   3.438  10.826
  463   1HE2  GLN  68          2HNE      GLN  68 -10.249   5.525   7.978
  464   2HE2  GLN  68          1HNE      GLN  68 -10.934   4.102   8.731
  465    H    MET  69           HN       MET  69  -4.835   2.460  11.403
  466    HA   MET  69           HA       MET  69  -3.255   0.540  10.111
  467   1HB   MET  69          2HB       MET  69  -2.655   2.149  12.616
  468   2HB   MET  69          3HB       MET  69  -1.485   1.221  11.671
  469   1HG   MET  69          2HG       MET  69  -2.118   2.625   9.647
  470   2HG   MET  69          3HG       MET  69  -3.118   3.561  10.694
  471   1HE   MET  69           HE2      MET  69  -1.823   5.637   9.706
  472   2HE   MET  69           HE3      MET  69  -2.321   5.791  11.412
  473   3HE   MET  69           HE1      MET  69  -0.722   6.371  10.909
  474    H    ASP  70           HN       ASP  70  -4.144   0.553  13.591
  475    HA   ASP  70           HA       ASP  70  -2.906  -1.876  14.330
  476   1HB   ASP  70          2HB       ASP  70  -3.789  -0.116  15.893
  477   2HB   ASP  70          3HB       ASP  70  -5.433  -0.574  15.449
  478    H    ALA  71           HN       ALA  71  -6.112  -1.130  13.143
  479    HA   ALA  71           HA       ALA  71  -7.371  -3.668  13.411
  480   1HB   ALA  71          1HB       ALA  71  -7.869  -1.344  11.525
  481   2HB   ALA  71          2HB       ALA  71  -9.008  -2.686  11.781
  482   3HB   ALA  71          3HB       ALA  71  -8.612  -1.576  13.115
  483    H    GLY  72           HN       GLY  72  -5.024  -2.519  11.081
  484   1HA   GLY  72          2HA       GLY  72  -3.802  -4.311  10.004
  485   2HA   GLY  72          3HA       GLY  72  -5.308  -5.080   9.547
  486    H    TYR  73           HN       TYR  73  -4.946  -1.520   9.334
  487    HA   TYR  73           HA       TYR  73  -4.960  -1.832   6.377
  488   1HB   TYR  73          2HB       TYR  73  -6.098   0.348   8.077
  489   2HB   TYR  73          3HB       TYR  73  -6.021   0.338   6.324
  490    HD1  TYR  73           HD1      TYR  73  -7.063  -1.543   4.999
  491    HD2  TYR  73           HD2      TYR  73  -7.984  -0.805   9.140
  492    HE1  TYR  73           HE1      TYR  73  -9.319  -2.363   4.632
  493    HE2  TYR  73           HE2      TYR  73 -10.275  -1.603   8.770
  494    HH   TYR  73           HOH      TYR  73 -11.919  -1.736   6.462
  495    H    VAL  74           HN       VAL  74  -4.049   0.021   5.143
  496    HA   VAL  74           HA       VAL  74  -1.890   1.563   6.314
  497    HB   VAL  74           HB       VAL  74  -0.876  -0.631   6.117
  498   1HG1  VAL  74          2HG1      VAL  74  -1.545  -0.497   3.137
  499   2HG1  VAL  74          3HG1      VAL  74  -0.483  -1.685   3.914
  500   3HG1  VAL  74          1HG1      VAL  74  -2.206  -1.658   4.307
  501   1HG2  VAL  74          2HG2      VAL  74   0.335   1.579   5.444
  502   2HG2  VAL  74          3HG2      VAL  74   1.080   0.013   5.252
  503   3HG2  VAL  74          1HG2      VAL  74   0.371   0.857   3.836
  504    H    LEU  75           HN       LEU  75  -0.980   3.062   4.705
  505    HA   LEU  75           HA       LEU  75  -2.897   3.920   2.679
  506   1HB   LEU  75          2HB       LEU  75  -1.622   5.392   4.300
  507   2HB   LEU  75          3HB       LEU  75  -0.153   4.957   3.457
  508    HG   LEU  75           HG       LEU  75  -1.874   5.795   1.369
  509   1HD1  LEU  75          1HD1      LEU  75  -3.473   6.593   3.069
  510   2HD1  LEU  75          2HD1      LEU  75  -2.217   7.634   3.778
  511   3HD1  LEU  75          3HD1      LEU  75  -2.790   7.932   2.131
  512   1HD2  LEU  75          3HD2      LEU  75   0.295   7.194   2.953
  513   2HD2  LEU  75          1HD2      LEU  75   0.457   6.287   1.458
  514   3HD2  LEU  75          2HD2      LEU  75  -0.388   7.861   1.460
  515    H    THR  76           HN       THR  76  -2.800   2.937   0.585
  516    HA   THR  76           HA       THR  76  -0.239   1.826  -0.348
  517    HB   THR  76           HB       THR  76  -2.859   1.899  -1.846
  518    HG1  THR  76           HG1      THR  76  -3.568   0.445  -0.521
  519   1HG2  THR  76          2HG2      THR  76  -0.710   1.097  -3.052
  520   2HG2  THR  76          3HG2      THR  76  -0.616  -0.186  -1.839
  521   3HG2  THR  76          1HG2      THR  76  -2.006  -0.088  -2.943
  522    H    CYS  77           HN       CYS  77   0.072   4.505   0.034
  523    HA   CYS  77           HA       CYS  77   0.644   5.365  -2.770
  524   1HB   CYS  77          2HB       CYS  77  -0.544   7.047  -0.602
  525   2HB   CYS  77          3HB       CYS  77   0.768   7.734  -1.563
  526    H    HIS  78           HN       HIS  78   1.720   7.099   0.002
  527    HA   HIS  78           HA       HIS  78   4.465   6.469  -0.647
  528   1HB   HIS  78          2HB       HIS  78   3.095   8.400   1.254
  529   2HB   HIS  78          3HB       HIS  78   4.837   8.171   1.224
  530    HD1  HIS  78           HND      HIS  78   5.334  10.554   0.473
  531    HD2  HIS  78           HD       HIS  78   3.145   8.207  -2.245
  532    HE1  HIS  78           HE       HIS  78   5.377  11.789  -1.793
  533    H    ALA  79           HN       ALA  79   3.995   4.165  -0.051
  534    HA   ALA  79           HA       ALA  79   4.688   3.659   2.837
  535   1HB   ALA  79          2HB       ALA  79   3.018   2.101   0.850
  536   2HB   ALA  79          3HB       ALA  79   3.826   1.328   2.230
  537   3HB   ALA  79          1HB       ALA  79   2.619   2.611   2.498
  538    H    TYR  80           HN       TYR  80   6.600   2.720   3.227
  539    HA   TYR  80           HA       TYR  80   8.323   1.828   0.944
  540   1HB   TYR  80          2HB       TYR  80   8.907   2.622   3.807
  541   2HB   TYR  80          3HB       TYR  80  10.048   1.949   2.645
  542    HD1  TYR  80           HD2      TYR  80  10.559   3.185   0.521
  543    HD2  TYR  80           HD1      TYR  80   8.384   4.992   3.767
  544    HE1  TYR  80           HE2      TYR  80  10.975   5.428  -0.449
  545    HE2  TYR  80           HE1      TYR  80   8.914   7.237   2.876
  546    HH   TYR  80           HOH      TYR  80   9.802   8.430   1.084
  547    HA   PRO  81           HA       PRO  81   7.401  -2.189   2.696
  548   1HB   PRO  81          2HB       PRO  81   8.919  -3.698   0.868
  549   2HB   PRO  81          3HB       PRO  81   7.213  -3.200   0.717
  550   1HG   PRO  81          2HG       PRO  81   9.576  -2.119  -0.721
  551   2HG   PRO  81          3HG       PRO  81   7.822  -1.921  -1.035
  552   1HD   PRO  81          2HD       PRO  81   9.532   0.010   0.096
  553   2HD   PRO  81          3HD       PRO  81   7.775   0.065  -0.178
  554    H    THR  82           HN       THR  82   8.429  -2.818   4.674
  555    HA   THR  82           HA       THR  82  11.378  -2.569   4.764
  556    HB   THR  82           HB       THR  82  11.024  -2.823   7.191
  557    HG1  THR  82           HG1      THR  82   8.899  -2.700   7.942
  558   1HG2  THR  82          3HG2      THR  82  11.108  -0.597   6.041
  559   2HG2  THR  82          1HG2      THR  82   9.342  -0.631   5.878
  560   3HG2  THR  82          2HG2      THR  82  10.077  -0.576   7.491
  561    H    SER  83           HN       SER  83   9.108  -5.021   4.109
  562    HA   SER  83           HA       SER  83  11.147  -6.972   3.904
  563   1HB   SER  83          2HB       SER  83   9.101  -7.321   6.136
  564   2HB   SER  83          3HB       SER  83   9.919  -8.701   5.391
  565    HG   SER  83           HOG      SER  83  11.495  -6.588   6.320
  566    H    ASP  84           HN       ASP  84   9.724  -9.210   3.392
  567    HA   ASP  84           HA       ASP  84   8.034  -8.713   1.127
  568   1HB   ASP  84          2HB       ASP  84   7.622 -11.136   1.370
  569   2HB   ASP  84          3HB       ASP  84   9.323 -10.688   1.159
  570    H    VAL  85           HN       VAL  85   6.423  -7.395   1.789
  571    HA   VAL  85           HA       VAL  85   4.548  -8.259   3.908
  572    HB   VAL  85           HB       VAL  85   5.312  -5.988   4.039
  573   1HG1  VAL  85          2HG1      VAL  85   5.002  -5.980   1.162
  574   2HG1  VAL  85          3HG1      VAL  85   4.174  -4.592   1.864
  575   3HG1  VAL  85          1HG1      VAL  85   5.891  -4.884   2.214
  576   1HG2  VAL  85          2HG2      VAL  85   2.372  -6.303   3.409
  577   2HG2  VAL  85          3HG2      VAL  85   3.213  -6.011   4.948
  578   3HG2  VAL  85          1HG2      VAL  85   3.014  -4.735   3.761
  579    H    VAL  86           HN       VAL  86   2.385  -8.546   3.576
  580    HA   VAL  86           HA       VAL  86   1.428  -8.822   0.763
  581    HB   VAL  86           HB       VAL  86   0.533 -10.448   3.179
  582   1HG1  VAL  86          1HG1      VAL  86  -1.284  -9.972   1.489
  583   2HG1  VAL  86          2HG1      VAL  86  -0.267 -10.660   0.245
  584   3HG1  VAL  86          3HG1      VAL  86  -0.848 -11.687   1.557
  585   1HG2  VAL  86          3HG2      VAL  86   2.198 -11.236   0.738
  586   2HG2  VAL  86          1HG2      VAL  86   2.720 -11.269   2.434
  587   3HG2  VAL  86          2HG2      VAL  86   1.478 -12.396   1.874
  588    H    ILE  87           HN       ILE  87  -0.059  -7.269   0.369
  589    HA   ILE  87           HA       ILE  87  -1.797  -6.389   2.562
  590    HB   ILE  87           HB       ILE  87  -0.225  -4.716   2.573
  591   1HG1  ILE  87          2HG1      ILE  87  -2.648  -3.900   2.108
  592   2HG1  ILE  87          3HG1      ILE  87  -1.302  -2.762   2.063
  593   1HG2  ILE  87          2HG2      ILE  87   0.067  -4.828  -0.378
  594   2HG2  ILE  87          3HG2      ILE  87   0.685  -3.505   0.636
  595   3HG2  ILE  87          1HG2      ILE  87   1.278  -5.157   0.870
  596   1HD1  ILE  87           HD2      ILE  87  -2.087  -4.164  -0.459
  597   2HD1  ILE  87           HD3      ILE  87  -2.938  -2.719   0.062
  598   3HD1  ILE  87           HD1      ILE  87  -1.197  -2.651  -0.226
  599    H    GLU  88           HN       GLU  88  -3.877  -5.690   1.817
  600    HA   GLU  88           HA       GLU  88  -4.573  -6.505  -0.975
  601   1HB   GLU  88          2HB       GLU  88  -6.501  -5.752   1.182
  602   2HB   GLU  88          3HB       GLU  88  -6.825  -6.727  -0.267
  603   1HG   GLU  88          2HG       GLU  88  -5.575  -8.590   0.820
  604   2HG   GLU  88          3HG       GLU  88  -5.272  -7.529   2.207
  605    H    THR  89           HN       THR  89  -5.085  -4.943  -2.441
  606    HA   THR  89           HA       THR  89  -4.900  -2.125  -1.425
  607    HB   THR  89           HB       THR  89  -4.466  -1.475  -3.676
  608    HG1  THR  89           HG1      THR  89  -5.350  -4.069  -4.284
  609   1HG2  THR  89          1HG2      THR  89  -2.607  -2.245  -2.321
  610   2HG2  THR  89          2HG2      THR  89  -2.840  -3.917  -2.865
  611   3HG2  THR  89          3HG2      THR  89  -2.359  -2.661  -4.017
  612    H    HIS  90           HN       HIS  90  -6.347  -0.517  -2.687
  613    HA   HIS  90           HA       HIS  90  -8.360   0.287  -3.330
  614   1HB   HIS  90          2HB       HIS  90  -9.219  -2.566  -3.994
  615   2HB   HIS  90          3HB       HIS  90  -9.984  -1.070  -4.486
  616    HD1  HIS  90           HND      HIS  90  -6.173  -1.770  -4.957
  617    HD2  HIS  90           HD       HIS  90  -9.810  -1.605  -7.058
  618    HE1  HIS  90           HE       HIS  90  -5.586  -2.050  -7.381
  619    H    LYS  91           HN       LYS  91  -8.137   0.439  -0.796
  620    HA   LYS  91           HA       LYS  91 -10.536  -0.829   0.468
  621   1HB   LYS  91          2HB       LYS  91  -7.842  -0.400   1.771
  622   2HB   LYS  91          3HB       LYS  91  -9.265  -1.139   2.508
  623   1HG   LYS  91          2HG       LYS  91  -7.772  -2.260   0.094
  624   2HG   LYS  91          3HG       LYS  91  -7.624  -2.837   1.755
  625   1HD   LYS  91          2HD       LYS  91  -9.789  -3.560   1.900
  626   2HD   LYS  91          3HD       LYS  91 -10.265  -2.836   0.369
  627   1HE   LYS  91          2HE       LYS  91  -9.487  -4.421  -0.954
  628   2HE   LYS  91          3HE       LYS  91  -8.019  -4.645  -0.016
  629   1HZ   LYS  91          2HNZ      LYS  91 -10.626  -5.714   0.876
  630   2HZ   LYS  91          3HNZ      LYS  91  -9.550  -6.572  -0.038
  631   3HZ   LYS  91          1HNZ      LYS  91  -9.121  -6.120   1.440
  632    H    GLU  92           HN       GLU  92  -9.707   1.935  -0.722
  633    HA   GLU  92           HA       GLU  92  -9.948   4.000   1.037
  634   1HB   GLU  92          2HB       GLU  92  -9.834   4.231  -1.378
  635   2HB   GLU  92          3HB       GLU  92 -11.404   3.460  -1.605
  636   1HG   GLU  92          2HG       GLU  92 -12.515   5.365  -0.461
  637   2HG   GLU  92          3HG       GLU  92 -10.939   6.144  -0.251
  638    H    GLU  93           HN       GLU  93 -12.914   2.554  -0.418
  639    HA   GLU  93           HA       GLU  93 -14.494   3.568   1.754
  640   1HB   GLU  93          2HB       GLU  93 -16.367   2.764   0.353
  641   2HB   GLU  93          3HB       GLU  93 -15.160   3.607  -0.621
  642   1HG   GLU  93          2HG       GLU  93 -14.263   0.968  -0.798
  643   2HG   GLU  93          3HG       GLU  93 -16.006   0.764  -0.692
  644    H    GLU  94           HN       GLU  94 -12.626   1.662   2.654
  645    HA   GLU  94           HA       GLU  94 -14.330  -0.426   3.928
  646   1HB   GLU  94          2HB       GLU  94 -11.688  -0.785   2.493
  647   2HB   GLU  94          3HB       GLU  94 -12.135  -1.842   3.815
  648   1HG   GLU  94          2HG       GLU  94 -14.257  -1.545   1.748
  649   2HG   GLU  94          3HG       GLU  94 -12.755  -2.268   1.167
  650    H    ILE  95           HN       ILE  95 -11.370   1.681   4.038
  651    HA   ILE  95           HA       ILE  95 -11.150   1.263   6.892
  652    HB   ILE  95           HB       ILE  95  -9.421   2.924   6.798
  653   1HG1  ILE  95          2HG1      ILE  95  -9.911   3.158   3.809
  654   2HG1  ILE  95          3HG1      ILE  95 -10.482   4.349   4.998
  655   1HG2  ILE  95          1HG2      ILE  95  -9.062   0.612   6.288
  656   2HG2  ILE  95          2HG2      ILE  95  -9.187   0.879   4.541
  657   3HG2  ILE  95          3HG2      ILE  95  -7.859   1.603   5.476
  658   1HD1  ILE  95           HD3      ILE  95  -7.566   3.641   4.824
  659   2HD1  ILE  95           HD1      ILE  95  -8.398   4.855   3.844
  660   3HD1  ILE  95           HD2      ILE  95  -8.369   5.012   5.625
  661    H    VAL  96           HN       VAL  96 -12.703   3.732   4.838
  662    HA   VAL  96           HA       VAL  96 -13.299   5.360   7.225
  663    HB   VAL  96           HB       VAL  96 -14.291   6.935   5.752
  664   1HG1  VAL  96          1HG1      VAL  96 -11.744   6.804   5.945
  665   2HG1  VAL  96          2HG1      VAL  96 -11.763   6.022   4.345
  666   3HG1  VAL  96          3HG1      VAL  96 -12.376   7.666   4.531
  667   1HG2  VAL  96          3HG2      VAL  96 -13.868   4.939   3.499
  668   2HG2  VAL  96          1HG2      VAL  96 -15.426   5.507   4.124
  669   3HG2  VAL  96          2HG2      VAL  96 -14.345   6.632   3.285
   
  No H/Q in entry =         668
  Start of MODEL    7
    1   1H    ALA   1          1HN       ALA   1  15.654  -5.752   1.548
    2   2H    ALA   1          2HN       ALA   1  16.167  -4.259   2.005
    3   2H    ALA   1          3HN       ALA   1  16.167  -4.259   2.005
    4    HA   ALA   1           HA       ALA   1  16.223  -3.619  -0.056
    5   1HB   ALA   1          2HB       ALA   1  18.564  -4.138   0.188
    6   2HB   ALA   1          3HB       ALA   1  18.272  -5.786  -0.434
    7   3HB   ALA   1          1HB       ALA   1  17.990  -4.368  -1.477
    8    H    THR   2           HN       THR   2  14.661  -3.724  -1.472
    9    HA   THR   2           HA       THR   2  13.262  -4.460  -3.038
   10    HB   THR   2           HB       THR   2  15.684  -6.144  -3.772
   11    HG1  THR   2           HG1      THR   2  16.171  -3.946  -3.260
   12   1HG2  THR   2          3HG2      THR   2  13.404  -4.929  -5.394
   13   2HG2  THR   2          1HG2      THR   2  14.974  -5.332  -6.112
   14   3HG2  THR   2          2HG2      THR   2  14.007  -6.613  -5.379
   15    H    TYR   3           HN       TYR   3  11.767  -5.352  -1.585
   16    HA   TYR   3           HA       TYR   3  11.867  -8.284  -1.121
   17   1HB   TYR   3          2HB       TYR   3   9.969  -6.198   0.003
   18   2HB   TYR   3          3HB       TYR   3  10.152  -7.865   0.544
   19    HD1  TYR   3           HD1      TYR   3  12.726  -8.535   1.150
   20    HD2  TYR   3           HD2      TYR   3  11.029  -4.574   1.282
   21    HE1  TYR   3           HE1      TYR   3  14.540  -7.795   2.664
   22    HE2  TYR   3           HE2      TYR   3  12.645  -3.963   3.032
   23    HH   TYR   3           HOH      TYR   3  14.499  -4.671   4.292
   24    H    ASN   4           HN       ASN   4   9.784  -9.427  -1.157
   25    HA   ASN   4           HA       ASN   4   8.425  -9.068  -3.750
   26   1HB   ASN   4          2HB       ASN   4   9.398 -11.217  -2.963
   27   2HB   ASN   4          3HB       ASN   4   8.316 -11.240  -1.599
   28   1HD2  ASN   4          2HND      ASN   4   5.424 -12.192  -3.384
   29   2HD2  ASN   4          1HND      ASN   4   6.012 -11.123  -2.105
   30    H    VAL   5           HN       VAL   5   7.015  -7.276  -3.347
   31    HA   VAL   5           HA       VAL   5   5.311  -7.413  -0.918
   32    HB   VAL   5           HB       VAL   5   5.439  -5.310  -3.074
   33   1HG1  VAL   5          3HG1      VAL   5   3.728  -5.731  -0.628
   34   2HG1  VAL   5          1HG1      VAL   5   4.315  -4.091  -0.906
   35   3HG1  VAL   5          2HG1      VAL   5   3.358  -4.918  -2.147
   36   1HG2  VAL   5          3HG2      VAL   5   6.675  -5.440  -0.275
   37   2HG2  VAL   5          1HG2      VAL   5   7.542  -5.371  -1.816
   38   3HG2  VAL   5          2HG2      VAL   5   6.583  -3.979  -1.278
   39    H    LYS   6           HN       LYS   6   3.384  -8.449  -1.041
   40    HA   LYS   6           HA       LYS   6   2.219  -8.943  -3.728
   41   1HB   LYS   6          2HB       LYS   6   2.507 -10.838  -2.180
   42   2HB   LYS   6          3HB       LYS   6   1.393 -10.050  -1.061
   43   1HG   LYS   6          2HG       LYS   6  -0.326 -10.000  -3.019
   44   2HG   LYS   6          3HG       LYS   6   0.817 -10.996  -3.919
   45   1HD   LYS   6          2HD       LYS   6  -0.772 -11.681  -1.438
   46   2HD   LYS   6          3HD       LYS   6  -0.766 -12.388  -3.049
   47   1HE   LYS   6          2HE       LYS   6   1.693 -13.044  -2.613
   48   2HE   LYS   6          3HE       LYS   6   1.387 -12.667  -0.913
   49   1HZ   LYS   6          2HNZ      LYS   6  -0.172 -14.577  -2.531
   50   2HZ   LYS   6          3HNZ      LYS   6   1.024 -14.992  -1.464
   51   3HZ   LYS   6          1HNZ      LYS   6  -0.373 -14.290  -0.926
   52    H    LEU   7           HN       LEU   7   0.681  -7.824  -4.536
   53    HA   LEU   7           HA       LEU   7  -1.043  -6.153  -2.789
   54   1HB   LEU   7          2HB       LEU   7  -0.202  -5.857  -5.683
   55   2HB   LEU   7          3HB       LEU   7  -1.390  -4.844  -4.907
   56    HG   LEU   7           HG       LEU   7   1.592  -5.063  -4.501
   57   1HD1  LEU   7          1HD1      LEU   7  -0.136  -3.195  -5.803
   58   2HD1  LEU   7          2HD1      LEU   7   0.557  -2.361  -4.412
   59   3HD1  LEU   7          3HD1      LEU   7   1.634  -3.084  -5.594
   60   1HD2  LEU   7          3HD2      LEU   7  -0.332  -3.848  -2.512
   61   2HD2  LEU   7          1HD2      LEU   7   0.952  -5.064  -2.256
   62   3HD2  LEU   7          2HD2      LEU   7   1.384  -3.399  -2.588
   63    H    ILE   8           HN       ILE   8  -2.625  -7.485  -2.163
   64    HA   ILE   8           HA       ILE   8  -3.894  -9.274  -4.116
   65    HB   ILE   8           HB       ILE   8  -4.467  -8.544  -1.268
   66   1HG1  ILE   8          2HG1      ILE   8  -3.724 -11.261  -2.214
   67   2HG1  ILE   8          3HG1      ILE   8  -2.480 -10.028  -1.911
   68   1HG2  ILE   8          2HG2      ILE   8  -5.967 -10.449  -3.109
   69   2HG2  ILE   8          3HG2      ILE   8  -6.163 -10.420  -1.348
   70   3HG2  ILE   8          1HG2      ILE   8  -6.636  -9.017  -2.300
   71   1HD1  ILE   8           HD1      ILE   8  -4.534 -10.950   0.134
   72   2HD1  ILE   8           HD2      ILE   8  -2.846 -11.470   0.040
   73   3HD1  ILE   8           HD3      ILE   8  -3.224  -9.766   0.376
   74    H    THR   9           HN       THR   9  -4.338  -7.862  -5.783
   75    HA   THR   9           HA       THR   9  -6.149  -5.633  -5.411
   76    HB   THR   9           HB       THR   9  -5.845  -5.548  -7.886
   77    HG1  THR   9           HG1      THR   9  -5.396  -7.822  -8.244
   78   1HG2  THR   9          1HG2      THR   9  -3.373  -5.691  -6.108
   79   2HG2  THR   9          2HG2      THR   9  -3.225  -5.386  -7.830
   80   3HG2  THR   9          3HG2      THR   9  -4.155  -4.255  -6.828
   81    HA   PRO  10           HA       PRO  10  -9.810  -7.950  -6.061
   82   1HB   PRO  10          2HB       PRO  10 -11.103  -6.193  -7.875
   83   2HB   PRO  10          3HB       PRO  10 -11.346  -6.353  -6.111
   84   1HG   PRO  10          2HG       PRO  10 -10.061  -4.353  -7.687
   85   2HG   PRO  10          3HG       PRO  10 -10.232  -4.329  -5.908
   86   1HD   PRO  10          2HD       PRO  10  -7.910  -4.787  -7.494
   87   2HD   PRO  10          3HD       PRO  10  -8.046  -4.777  -5.757
   88    H    ASP  11           HN       ASP  11  -7.951  -7.060  -8.862
   89    HA   ASP  11           HA       ASP  11  -9.170  -8.623 -10.921
   90   1HB   ASP  11          2HB       ASP  11  -6.472  -7.335 -10.372
   91   2HB   ASP  11          3HB       ASP  11  -6.581  -8.564 -11.618
   92    H    GLY  12           HN       GLY  12  -7.167  -9.356  -8.160
   93   1HA   GLY  12          2HA       GLY  12  -7.159 -11.522  -7.308
   94   2HA   GLY  12          3HA       GLY  12  -6.986 -12.243  -8.927
   95    H    GLU  13           HN       GLU  13  -5.409  -9.808  -6.854
   96    HA   GLU  13           HA       GLU  13  -3.279  -9.464  -6.162
   97   1HB   GLU  13          2HB       GLU  13  -2.923 -12.310  -6.982
   98   2HB   GLU  13          3HB       GLU  13  -1.716 -11.376  -6.117
   99   1HG   GLU  13          2HG       GLU  13  -2.879 -11.271  -4.177
  100   2HG   GLU  13          3HG       GLU  13  -4.471 -11.549  -4.922
  101    H    VAL  14           HN       VAL  14  -0.955  -9.377  -6.819
  102    HA   VAL  14           HA       VAL  14  -0.463  -9.734  -9.697
  103    HB   VAL  14           HB       VAL  14  -1.378  -7.559  -9.648
  104   1HG1  VAL  14          1HG1      VAL  14  -1.065  -6.880  -7.394
  105   2HG1  VAL  14          2HG1      VAL  14   0.686  -6.641  -7.670
  106   3HG1  VAL  14          3HG1      VAL  14  -0.519  -5.650  -8.522
  107   1HG2  VAL  14          2HG2      VAL  14   0.690  -8.124 -11.087
  108   2HG2  VAL  14          3HG2      VAL  14   0.269  -6.420 -10.887
  109   3HG2  VAL  14          1HG2      VAL  14   1.604  -7.121  -9.933
  110    H    GLU  15           HN       GLU  15   1.034  -8.421  -6.774
  111    HA   GLU  15           HA       GLU  15   2.944  -8.861  -5.693
  112   1HB   GLU  15          2HB       GLU  15   2.247 -11.403  -6.731
  113   2HB   GLU  15          3HB       GLU  15   3.943 -11.194  -7.179
  114   1HG   GLU  15          2HG       GLU  15   4.640 -10.910  -4.947
  115   2HG   GLU  15          3HG       GLU  15   2.987 -10.746  -4.373
  116    H    PHE  16           HN       PHE  16   4.919  -7.926  -5.742
  117    HA   PHE  16           HA       PHE  16   6.450  -7.855  -8.210
  118   1HB   PHE  16          2HB       PHE  16   6.305  -5.709  -8.813
  119   2HB   PHE  16          3HB       PHE  16   4.638  -6.176  -8.655
  120    HD1  PHE  16           HD2      PHE  16   3.799  -5.773  -5.999
  121    HD2  PHE  16           HD1      PHE  16   7.140  -3.804  -7.879
  122    HE1  PHE  16           HE2      PHE  16   3.723  -4.022  -4.318
  123    HE2  PHE  16           HE1      PHE  16   7.063  -2.076  -6.215
  124    HZ   PHE  16           HZ       PHE  16   5.249  -2.033  -4.481
  125    H    LYS  17           HN       LYS  17   8.388  -6.386  -8.010
  126    HA   LYS  17           HA       LYS  17   9.462  -6.867  -5.327
  127   1HB   LYS  17          2HB       LYS  17  10.521  -7.282  -7.912
  128   2HB   LYS  17          3HB       LYS  17  11.399  -5.892  -7.266
  129   1HG   LYS  17          2HG       LYS  17  12.542  -7.920  -6.637
  130   2HG   LYS  17          3HG       LYS  17  11.846  -7.166  -5.183
  131   1HD   LYS  17          2HD       LYS  17  10.807  -9.087  -4.667
  132   2HD   LYS  17          3HD       LYS  17   9.806  -8.876  -6.096
  133   1HE   LYS  17          2HE       LYS  17  10.766 -11.080  -6.159
  134   2HE   LYS  17          3HE       LYS  17  11.476 -10.120  -7.466
  135   1HZ   LYS  17          1HNZ      LYS  17  12.739 -10.629  -4.841
  136   2HZ   LYS  17          2HNZ      LYS  17  13.116 -11.409  -6.241
  137   3HZ   LYS  17          3HNZ      LYS  17  13.420  -9.801  -6.082
  138    H    CYS  18           HN       CYS  18   9.802  -5.313  -3.912
  139    HA   CYS  18           HA       CYS  18   9.782  -2.466  -4.866
  140   1HB   CYS  18          2HB       CYS  18   7.580  -3.370  -3.928
  141   2HB   CYS  18          3HB       CYS  18   8.433  -3.344  -2.379
  142    HG   CYS  18           HSG      CYS  18   8.220  -0.920  -4.644
  143    H    ASP  19           HN       ASP  19  11.632  -1.558  -4.450
  144    HA   ASP  19           HA       ASP  19  13.648  -2.343  -2.721
  145   1HB   ASP  19          2HB       ASP  19  13.075   0.527  -3.428
  146   2HB   ASP  19          3HB       ASP  19  14.628  -0.259  -3.184
  147    H    ASP  20           HN       ASP  20  14.331  -1.433  -0.602
  148    HA   ASP  20           HA       ASP  20  12.046  -0.843   1.123
  149   1HB   ASP  20          2HB       ASP  20  13.932  -0.884   2.891
  150   2HB   ASP  20          3HB       ASP  20  13.394  -2.342   2.070
  151    H    ASP  21           HN       ASP  21  14.032   0.931  -0.872
  152    HA   ASP  21           HA       ASP  21  13.465   3.454   0.633
  153   1HB   ASP  21          2HB       ASP  21  15.744   2.689  -1.227
  154   2HB   ASP  21          3HB       ASP  21  15.360   4.364  -0.807
  155    H    VAL  22           HN       VAL  22  11.493   1.992  -1.091
  156    HA   VAL  22           HA       VAL  22  10.947   4.325  -2.778
  157    HB   VAL  22           HB       VAL  22  12.249   2.462  -4.081
  158   1HG1  VAL  22          1HG1      VAL  22  10.662   0.606  -3.333
  159   2HG1  VAL  22          2HG1      VAL  22   9.420   1.344  -4.359
  160   3HG1  VAL  22          3HG1      VAL  22  10.909   0.727  -5.081
  161   1HG2  VAL  22          2HG2      VAL  22  11.226   4.461  -5.109
  162   2HG2  VAL  22          3HG2      VAL  22  11.151   3.019  -6.138
  163   3HG2  VAL  22          1HG2      VAL  22   9.702   3.560  -5.284
  164    H    TYR  23           HN       TYR  23   8.713   4.272  -3.677
  165    HA   TYR  23           HA       TYR  23   6.934   3.584  -1.519
  166   1HB   TYR  23          2HB       TYR  23   6.376   4.898  -4.176
  167   2HB   TYR  23          3HB       TYR  23   5.237   4.758  -2.849
  168    HD1  TYR  23           HD1      TYR  23   6.137   5.649  -0.496
  169    HD2  TYR  23           HD2      TYR  23   7.660   6.915  -4.324
  170    HE1  TYR  23           HE1      TYR  23   6.671   7.845   0.447
  171    HE2  TYR  23           HE2      TYR  23   8.301   9.097  -3.329
  172    HH   TYR  23           HOH      TYR  23   7.434   9.972   0.048
  173    H    VAL  24           HN       VAL  24   5.385   1.935  -1.483
  174    HA   VAL  24           HA       VAL  24   5.472  -0.142  -3.368
  175    HB   VAL  24           HB       VAL  24   2.970   0.289  -1.709
  176   1HG1  VAL  24          3HG1      VAL  24   3.096  -1.780  -3.154
  177   2HG1  VAL  24          1HG1      VAL  24   4.588  -2.221  -2.297
  178   3HG1  VAL  24          2HG1      VAL  24   3.041  -2.131  -1.437
  179   1HG2  VAL  24          2HG2      VAL  24   5.713  -0.490  -0.668
  180   2HG2  VAL  24          3HG2      VAL  24   4.531   0.684  -0.036
  181   3HG2  VAL  24          1HG2      VAL  24   4.213  -1.022   0.127
  182    H    LEU  25           HN       LEU  25   4.061   2.859  -3.939
  183    HA   LEU  25           HA       LEU  25   2.210   1.827  -6.040
  184   1HB   LEU  25          2HB       LEU  25   1.055   3.380  -4.963
  185   2HB   LEU  25          3HB       LEU  25   2.456   4.285  -4.431
  186    HG   LEU  25           HG       LEU  25   1.629   4.413  -7.347
  187   1HD1  LEU  25          1HD1      LEU  25  -0.395   4.897  -5.919
  188   2HD1  LEU  25          2HD1      LEU  25   0.524   6.225  -5.177
  189   3HD1  LEU  25          3HD1      LEU  25   0.164   6.251  -6.910
  190   1HD2  LEU  25          2HD2      LEU  25   3.040   6.302  -5.379
  191   2HD2  LEU  25          3HD2      LEU  25   3.754   5.564  -6.821
  192   3HD2  LEU  25          1HD2      LEU  25   2.509   6.783  -6.996
  193    H    ASP  26           HN       ASP  26   5.341   3.437  -5.580
  194    HA   ASP  26           HA       ASP  26   5.499   4.604  -8.201
  195   1HB   ASP  26          2HB       ASP  26   6.687   5.471  -6.297
  196   2HB   ASP  26          3HB       ASP  26   7.570   3.966  -6.067
  197    H    GLN  27           HN       GLN  27   7.534   2.056  -6.763
  198    HA   GLN  27           HA       GLN  27   8.533   1.129  -9.210
  199   1HB   GLN  27          2HB       GLN  27   9.588   0.881  -7.010
  200   2HB   GLN  27          3HB       GLN  27   8.278  -0.176  -6.480
  201   1HG   GLN  27          2HG       GLN  27  10.107  -1.547  -6.968
  202   2HG   GLN  27          3HG       GLN  27   8.979  -1.785  -8.312
  203   1HE2  GLN  27          2HNE      GLN  27  12.751  -0.294  -8.929
  204   2HE2  GLN  27          1HNE      GLN  27  12.202  -0.698  -7.311
  205    H    ALA  28           HN       ALA  28   5.688   0.273  -7.310
  206    HA   ALA  28           HA       ALA  28   4.687  -2.004  -8.640
  207   1HB   ALA  28          1HB       ALA  28   3.622   0.288  -7.107
  208   2HB   ALA  28          2HB       ALA  28   2.432  -0.539  -8.065
  209   3HB   ALA  28          3HB       ALA  28   3.374  -1.447  -6.857
  210    H    GLU  29           HN       GLU  29   3.837   1.440  -9.427
  211    HA   GLU  29           HA       GLU  29   2.514   0.761 -11.841
  212   1HB   GLU  29          2HB       GLU  29   3.865   3.332 -10.923
  213   2HB   GLU  29          3HB       GLU  29   3.111   3.164 -12.516
  214   1HG   GLU  29          2HG       GLU  29   0.960   2.523 -11.459
  215   2HG   GLU  29          3HG       GLU  29   1.669   2.800  -9.862
  216    H    GLU  30           HN       GLU  30   5.999   1.488 -11.214
  217    HA   GLU  30           HA       GLU  30   6.896   1.253 -13.874
  218   1HB   GLU  30          2HB       GLU  30   8.382   0.396 -11.395
  219   2HB   GLU  30          3HB       GLU  30   9.076   0.605 -12.982
  220   1HG   GLU  30          2HG       GLU  30   7.584   2.962 -11.794
  221   2HG   GLU  30          3HG       GLU  30   9.184   2.548 -11.183
  222    H    GLU  31           HN       GLU  31   6.001  -1.415 -11.695
  223    HA   GLU  31           HA       GLU  31   6.922  -3.379 -13.671
  224   1HB   GLU  31          2HB       GLU  31   5.064  -3.885 -11.332
  225   2HB   GLU  31          3HB       GLU  31   6.073  -5.028 -12.226
  226   1HG   GLU  31          2HG       GLU  31   7.769  -2.885 -11.326
  227   2HG   GLU  31          3HG       GLU  31   6.711  -3.250 -10.000
  228    H    GLY  32           HN       GLY  32   3.992  -1.655 -12.938
  229   1HA   GLY  32          2HA       GLY  32   2.444  -1.428 -14.881
  230   2HA   GLY  32          3HA       GLY  32   2.439  -3.191 -15.015
  231    H    ILE  33           HN       ILE  33   2.564  -2.216 -11.696
  232    HA   ILE  33           HA       ILE  33  -0.129  -3.225 -11.272
  233    HB   ILE  33           HB       ILE  33   1.856  -1.800  -9.552
  234   1HG1  ILE  33          2HG1      ILE  33   1.052  -4.672  -9.901
  235   2HG1  ILE  33          3HG1      ILE  33   2.637  -3.955 -10.205
  236   1HG2  ILE  33          3HG2      ILE  33  -0.497  -1.394  -8.664
  237   2HG2  ILE  33          1HG2      ILE  33  -0.658  -3.153  -8.508
  238   3HG2  ILE  33          2HG2      ILE  33   0.582  -2.237  -7.605
  239   1HD1  ILE  33           HD3      ILE  33   2.872  -3.529  -7.772
  240   2HD1  ILE  33           HD1      ILE  33   1.327  -4.369  -7.489
  241   3HD1  ILE  33           HD2      ILE  33   2.679  -5.255  -8.174
  242    H    ASP  34           HN       ASP  34  -1.933  -2.161 -11.710
  243    HA   ASP  34           HA       ASP  34  -2.088   0.790 -11.685
  244   1HB   ASP  34          2HB       ASP  34  -3.066  -0.729 -13.498
  245   2HB   ASP  34          3HB       ASP  34  -4.295  -1.192 -12.298
  246    H    ILE  35           HN       ILE  35  -1.657   0.836  -9.266
  247    HA   ILE  35           HA       ILE  35  -3.757  -0.152  -7.590
  248    HB   ILE  35           HB       ILE  35  -1.236   0.911  -7.205
  249   1HG1  ILE  35          2HG1      ILE  35  -2.948   0.162  -4.902
  250   2HG1  ILE  35          3HG1      ILE  35  -2.266  -0.949  -6.114
  251   1HG2  ILE  35          2HG2      ILE  35  -2.096   3.200  -7.057
  252   2HG2  ILE  35          3HG2      ILE  35  -3.068   2.746  -5.639
  253   3HG2  ILE  35          1HG2      ILE  35  -1.309   2.680  -5.575
  254   1HD1  ILE  35           HD3      ILE  35  -0.560   0.967  -4.455
  255   2HD1  ILE  35           HD1      ILE  35  -0.888  -0.710  -4.043
  256   3HD1  ILE  35           HD2      ILE  35  -0.016  -0.320  -5.543
  257    HA   PRO  36           HA       PRO  36  -6.683   3.098  -8.266
  258   1HB   PRO  36          2HB       PRO  36  -8.037   3.241  -5.842
  259   2HB   PRO  36          3HB       PRO  36  -8.149   1.916  -7.016
  260   1HG   PRO  36          2HG       PRO  36  -6.661   1.900  -4.413
  261   2HG   PRO  36          3HG       PRO  36  -7.467   0.611  -5.304
  262   1HD   PRO  36          2HD       PRO  36  -4.694   1.264  -5.296
  263   2HD   PRO  36          3HD       PRO  36  -5.449   0.091  -6.352
  264    H    TYR  37           HN       TYR  37  -4.453   4.420  -8.290
  265    HA   TYR  37           HA       TYR  37  -4.170   6.368  -6.129
  266   1HB   TYR  37          2HB       TYR  37  -2.298   7.162  -7.274
  267   2HB   TYR  37          3HB       TYR  37  -2.275   5.436  -7.580
  268    HD1  TYR  37           HD2      TYR  37  -2.897   4.563  -9.881
  269    HD2  TYR  37           HD1      TYR  37  -2.569   8.780  -9.050
  270    HE1  TYR  37           HE2      TYR  37  -3.282   5.053 -12.261
  271    HE2  TYR  37           HE1      TYR  37  -2.893   9.270 -11.456
  272    HH   TYR  37           HOH      TYR  37  -3.466   6.685 -13.854
  273    H    SER  38           HN       SER  38  -4.125   8.690  -6.655
  274    HA   SER  38           HA       SER  38  -5.434   9.943  -8.849
  275   1HB   SER  38          2HB       SER  38  -7.162   9.250  -6.472
  276   2HB   SER  38          3HB       SER  38  -7.440  10.784  -7.299
  277    HG   SER  38           HOG      SER  38  -7.350   8.293  -8.630
  278    H    CYS  39           HN       CYS  39  -3.252  10.237  -6.400
  279    HA   CYS  39           HA       CYS  39  -3.301  13.164  -6.682
  280   1HB   CYS  39          2HB       CYS  39  -3.023  13.690  -4.477
  281   2HB   CYS  39          3HB       CYS  39  -4.455  12.680  -4.539
  282    H    ARG  40           HN       ARG  40  -1.500  10.502  -5.109
  283    HA   ARG  40           HA       ARG  40   0.627   9.824  -5.246
  284   1HB   ARG  40          2HB       ARG  40   0.333  10.506  -7.794
  285   2HB   ARG  40          3HB       ARG  40   1.339  11.884  -7.329
  286   1HG   ARG  40          2HG       ARG  40   2.833   9.944  -6.234
  287   2HG   ARG  40          3HG       ARG  40   1.985   8.942  -7.418
  288   1HD   ARG  40          2HD       ARG  40   3.581  11.476  -8.089
  289   2HD   ARG  40          3HD       ARG  40   4.242   9.854  -8.080
  290    HE   ARG  40           HNE      ARG  40   3.127   9.209  -9.959
  291   1HH1  ARG  40          2HN2      ARG  40   1.994  12.431  -9.082
  292   2HH1  ARG  40          1HN2      ARG  40   1.442  12.854 -10.670
  293   1HH2  ARG  40          2HN1      ARG  40   2.465   9.739 -12.084
  294   2HH2  ARG  40          1HN1      ARG  40   1.741  11.276 -12.432
  295    H    ALA  41           HN       ALA  41  -0.036  11.468  -3.174
  296    HA   ALA  41           HA       ALA  41   2.514  12.797  -2.586
  297   1HB   ALA  41          2HB       ALA  41  -0.041  14.437  -2.805
  298   2HB   ALA  41          3HB       ALA  41   1.480  14.993  -2.073
  299   3HB   ALA  41          1HB       ALA  41   1.423  14.608  -3.801
  300    H    GLY  42           HN       GLY  42   2.344  10.969  -1.095
  301   1HA   GLY  42          2HA       GLY  42   2.109  10.145   1.026
  302   2HA   GLY  42          3HA       GLY  42   1.670  11.728   1.624
  303    H    SER  43           HN       SER  43  -0.737  12.381   1.149
  304    HA   SER  43           HA       SER  43  -2.449  10.465   0.192
  305   1HB   SER  43          2HB       SER  43  -3.819   9.886   2.244
  306   2HB   SER  43          3HB       SER  43  -2.224   9.148   2.228
  307    HG   SER  43           HOG      SER  43  -2.524  11.679   3.404
  308    H    CYS  44           HN       CYS  44  -4.794  11.090   0.349
  309    HA   CYS  44           HA       CYS  44  -5.209  13.988   0.836
  310   1HB   CYS  44          2HB       CYS  44  -6.183  14.189  -1.287
  311   2HB   CYS  44          3HB       CYS  44  -4.588  13.490  -1.530
  312    H    SER  45           HN       SER  45  -6.089  11.454   2.266
  313    HA   SER  45           HA       SER  45  -7.919  10.815   3.437
  314   1HB   SER  45          2HB       SER  45  -8.712  13.224   3.335
  315   2HB   SER  45          3HB       SER  45  -9.709  12.750   1.939
  316    HG   SER  45           HOG      SER  45 -10.622  11.130   3.231
  317    H    SER  46           HN       SER  46  -6.977   9.471   1.118
  318    HA   SER  46           HA       SER  46  -9.156   7.688   0.726
  319   1HB   SER  46          2HB       SER  46  -9.151   7.787  -1.786
  320   2HB   SER  46          3HB       SER  46  -9.768   9.270  -1.058
  321    HG   SER  46           HOG      SER  46  -7.654  10.160  -1.396
  322    H    CYS  47           HN       CYS  47  -8.000   6.120  -1.223
  323    HA   CYS  47           HA       CYS  47  -6.558   4.482  -1.514
  324   1HB   CYS  47          2HB       CYS  47  -4.518   6.516  -0.703
  325   2HB   CYS  47          3HB       CYS  47  -4.109   4.907  -1.203
  326    H    ALA  48           HN       ALA  48  -6.303   2.673  -0.452
  327    HA   ALA  48           HA       ALA  48  -4.485   2.471   1.591
  328   1HB   ALA  48          1HB       ALA  48  -7.367   2.430   2.538
  329   2HB   ALA  48          2HB       ALA  48  -6.127   1.491   3.397
  330   3HB   ALA  48          3HB       ALA  48  -5.963   3.240   3.267
  331    H    GLY  49           HN       GLY  49  -4.467   0.242   2.488
  332   1HA   GLY  49          2HA       GLY  49  -5.871  -1.736   0.943
  333   2HA   GLY  49          3HA       GLY  49  -4.091  -1.893   1.025
  334    H    LYS  50           HN       LYS  50  -5.476  -3.925   2.053
  335    HA   LYS  50           HA       LYS  50  -5.596  -3.587   4.973
  336   1HB   LYS  50          2HB       LYS  50  -7.303  -4.800   3.298
  337   2HB   LYS  50          3HB       LYS  50  -6.266  -6.181   3.553
  338   1HG   LYS  50          2HG       LYS  50  -7.045  -6.565   5.633
  339   2HG   LYS  50          3HG       LYS  50  -6.927  -4.869   6.095
  340   1HD   LYS  50          2HD       LYS  50  -9.007  -4.531   4.513
  341   2HD   LYS  50          3HD       LYS  50  -9.224  -6.278   4.753
  342   1HE   LYS  50          2HE       LYS  50  -9.197  -5.856   7.248
  343   2HE   LYS  50          3HE       LYS  50  -8.933  -4.160   6.950
  344   1HZ   LYS  50          1HNZ      LYS  50 -11.021  -4.081   5.649
  345   2HZ   LYS  50          2HNZ      LYS  50 -11.385  -5.586   6.139
  346   3HZ   LYS  50          3HNZ      LYS  50 -11.245  -4.342   7.231
  347    H    VAL  51           HN       VAL  51  -3.668  -3.994   6.025
  348    HA   VAL  51           HA       VAL  51  -1.446  -5.408   4.832
  349    HB   VAL  51           HB       VAL  51  -2.050  -4.677   7.754
  350   1HG1  VAL  51          2HG1      VAL  51   0.539  -5.592   6.423
  351   2HG1  VAL  51          3HG1      VAL  51   0.430  -4.886   8.052
  352   3HG1  VAL  51          1HG1      VAL  51  -0.361  -6.427   7.711
  353   1HG2  VAL  51          1HG2      VAL  51  -1.906  -2.696   6.317
  354   2HG2  VAL  51          2HG2      VAL  51  -0.551  -2.752   7.440
  355   3HG2  VAL  51          3HG2      VAL  51  -0.300  -3.218   5.746
  356    H    VAL  52           HN       VAL  52  -1.813  -7.531   4.310
  357    HA   VAL  52           HA       VAL  52  -3.417  -9.308   6.050
  358    HB   VAL  52           HB       VAL  52  -1.930  -9.524   3.463
  359   1HG1  VAL  52          3HG1      VAL  52  -2.959 -11.913   5.038
  360   2HG1  VAL  52          1HG1      VAL  52  -2.549 -11.935   3.310
  361   3HG1  VAL  52          2HG1      VAL  52  -1.287 -11.624   4.503
  362   1HG2  VAL  52          1HG2      VAL  52  -4.371  -8.736   3.760
  363   2HG2  VAL  52          2HG2      VAL  52  -4.086 -10.015   2.561
  364   3HG2  VAL  52          3HG2      VAL  52  -4.753 -10.417   4.153
  365    H    SER  53           HN       SER  53   0.047  -8.710   5.200
  366    HA   SER  53           HA       SER  53   0.853  -9.625   7.810
  367   1HB   SER  53          2HB       SER  53   0.438 -11.813   6.552
  368   2HB   SER  53          3HB       SER  53   1.770 -11.360   5.476
  369    HG   SER  53           HOG      SER  53   2.449 -12.655   7.290
  370    H    GLY  54           HN       GLY  54   3.314  -9.841   7.811
  371   1HA   GLY  54          2HA       GLY  54   5.391  -8.815   7.512
  372   2HA   GLY  54          3HA       GLY  54   4.832  -8.097   6.011
  373    H    SER  55           HN       SER  55   6.107  -6.226   6.966
  374    HA   SER  55           HA       SER  55   4.265  -4.378   8.319
  375   1HB   SER  55          2HB       SER  55   7.208  -4.602   9.080
  376   2HB   SER  55          3HB       SER  55   5.985  -3.550   9.806
  377    HG   SER  55           HOG      SER  55   5.925  -6.391   9.879
  378    H    ILE  56           HN       ILE  56   4.912  -2.136   7.741
  379    HA   ILE  56           HA       ILE  56   7.051  -1.682   5.854
  380    HB   ILE  56           HB       ILE  56   5.506  -0.479   4.309
  381   1HG1  ILE  56          2HG1      ILE  56   3.267  -1.943   5.720
  382   2HG1  ILE  56          3HG1      ILE  56   3.551  -0.204   5.811
  383   1HG2  ILE  56          2HG2      ILE  56   6.221  -3.093   4.181
  384   2HG2  ILE  56          3HG2      ILE  56   4.499  -3.279   4.309
  385   3HG2  ILE  56          1HG2      ILE  56   5.185  -2.353   2.957
  386   1HD1  ILE  56           HD1      ILE  56   3.379  -1.213   2.998
  387   2HD1  ILE  56           HD2      ILE  56   1.922  -1.422   3.959
  388   3HD1  ILE  56           HD3      ILE  56   2.667   0.185   3.783
  389    H    ASP  57           HN       ASP  57   7.087   0.792   5.477
  390    HA   ASP  57           HA       ASP  57   6.225   2.252   7.951
  391   1HB   ASP  57          2HB       ASP  57   8.609   2.210   7.958
  392   2HB   ASP  57          3HB       ASP  57   8.704   2.496   6.216
  393    H    GLN  58           HN       GLN  58   4.367   3.294   7.341
  394    HA   GLN  58           HA       GLN  58   4.350   4.747   4.725
  395   1HB   GLN  58          2HB       GLN  58   1.877   4.890   5.213
  396   2HB   GLN  58          3HB       GLN  58   2.508   3.299   4.805
  397   1HG   GLN  58          2HG       GLN  58   2.416   2.540   7.023
  398   2HG   GLN  58          3HG       GLN  58   2.272   4.174   7.686
  399   1HE2  GLN  58          2HNE      GLN  58  -1.013   2.461   7.818
  400   2HE2  GLN  58          1HNE      GLN  58   0.614   2.072   8.349
  401    H    SER  59           HN       SER  59   5.958   5.700   7.081
  402    HA   SER  59           HA       SER  59   4.656   7.689   8.455
  403   1HB   SER  59          2HB       SER  59   7.051   7.001   8.766
  404   2HB   SER  59          3HB       SER  59   7.472   7.972   7.343
  405    HG   SER  59           HOG      SER  59   6.259   9.705   8.600
  406    H    ASP  60           HN       ASP  60   5.480   7.842   5.027
  407    HA   ASP  60           HA       ASP  60   5.225  10.628   4.579
  408   1HB   ASP  60          2HB       ASP  60   4.780   8.149   2.891
  409   2HB   ASP  60          3HB       ASP  60   4.391   9.757   2.271
  410    H    GLN  61           HN       GLN  61   2.764   8.267   5.341
  411    HA   GLN  61           HA       GLN  61   0.515   9.306   4.148
  412   1HB   GLN  61          2HB       GLN  61  -0.739   8.049   5.774
  413   2HB   GLN  61          3HB       GLN  61   0.745   7.150   5.477
  414   1HG   GLN  61          2HG       GLN  61   1.704   8.408   7.570
  415   2HG   GLN  61          3HG       GLN  61   0.030   8.857   7.902
  416   1HE2  GLN  61          2HNE      GLN  61  -0.915   5.303   8.327
  417   2HE2  GLN  61          1HNE      GLN  61  -1.442   6.651   7.334
  418    H    SER  62           HN       SER  62  -1.283  10.481   4.933
  419    HA   SER  62           HA       SER  62  -1.093  12.056   7.371
  420   1HB   SER  62          2HB       SER  62  -0.146  13.195   4.924
  421   2HB   SER  62          3HB       SER  62  -1.734  13.910   5.165
  422    HG   SER  62           HOG      SER  62   0.412  13.784   7.030
  423    H    PHE  63           HN       PHE  63  -2.654   9.948   6.979
  424    HA   PHE  63           HA       PHE  63  -5.337  11.062   6.857
  425   1HB   PHE  63          2HB       PHE  63  -5.140  10.801   4.523
  426   2HB   PHE  63          3HB       PHE  63  -4.306   9.250   4.690
  427    HD1  PHE  63           HD2      PHE  63  -7.511  10.119   6.504
  428    HD2  PHE  63           HD1      PHE  63  -5.624   7.981   3.240
  429    HE1  PHE  63           HE2      PHE  63  -9.532   8.770   6.198
  430    HE2  PHE  63           HE1      PHE  63  -7.640   6.668   2.942
  431    HZ   PHE  63           HZ       PHE  63  -9.644   7.072   4.383
  432    H    LEU  64           HN       LEU  64  -4.002   7.639   6.455
  433    HA   LEU  64           HA       LEU  64  -6.103   6.644   7.859
  434   1HB   LEU  64          2HB       LEU  64  -3.313   5.486   7.618
  435   2HB   LEU  64          3HB       LEU  64  -4.601   4.660   8.435
  436    HG   LEU  64           HG       LEU  64  -5.992   4.859   6.275
  437   1HD1  LEU  64          2HD1      LEU  64  -3.226   5.629   5.270
  438   2HD1  LEU  64          3HD1      LEU  64  -4.457   4.903   4.214
  439   3HD1  LEU  64          1HD1      LEU  64  -4.761   6.463   4.977
  440   1HD2  LEU  64          1HD2      LEU  64  -3.439   3.241   6.501
  441   2HD2  LEU  64          2HD2      LEU  64  -5.024   2.841   7.196
  442   3HD2  LEU  64          3HD2      LEU  64  -4.815   2.830   5.432
  443    H    ASP  65           HN       ASP  65  -6.577   6.073   9.923
  444    HA   ASP  65           HA       ASP  65  -5.107   7.534  12.023
  445   1HB   ASP  65          2HB       ASP  65  -7.675   5.940  12.206
  446   2HB   ASP  65          3HB       ASP  65  -7.032   7.058  13.419
  447    H    ASP  66           HN       ASP  66  -4.951   6.395  14.160
  448    HA   ASP  66           HA       ASP  66  -3.187   4.142  14.070
  449   1HB   ASP  66          2HB       ASP  66  -4.839   5.467  16.277
  450   2HB   ASP  66          3HB       ASP  66  -3.932   3.982  16.564
  451    H    GLU  67           HN       GLU  67  -6.687   4.500  14.582
  452    HA   GLU  67           HA       GLU  67  -7.324   1.903  15.288
  453   1HB   GLU  67          2HB       GLU  67  -9.209   3.331  13.389
  454   2HB   GLU  67          3HB       GLU  67  -9.507   2.480  14.901
  455   1HG   GLU  67          2HG       GLU  67  -8.302   4.497  16.007
  456   2HG   GLU  67          3HG       GLU  67  -8.559   5.297  14.438
  457    H    GLN  68           HN       GLN  68  -7.530   3.296  11.983
  458    HA   GLN  68           HA       GLN  68  -8.017   0.962  10.617
  459   1HB   GLN  68          2HB       GLN  68  -6.522   3.440   9.740
  460   2HB   GLN  68          3HB       GLN  68  -7.141   2.205   8.636
  461   1HG   GLN  68          2HG       GLN  68  -9.407   2.541   9.291
  462   2HG   GLN  68          3HG       GLN  68  -8.947   3.642  10.596
  463   1HE2  GLN  68          2HNE      GLN  68 -10.012   5.648   7.679
  464   2HE2  GLN  68          1HNE      GLN  68 -10.790   4.400   8.629
  465    H    MET  69           HN       MET  69  -4.737   2.496  11.177
  466    HA   MET  69           HA       MET  69  -3.234   0.497   9.905
  467   1HB   MET  69          2HB       MET  69  -2.542   2.182  12.336
  468   2HB   MET  69          3HB       MET  69  -1.421   1.206  11.377
  469   1HG   MET  69          2HG       MET  69  -2.279   2.535   9.311
  470   2HG   MET  69          3HG       MET  69  -3.048   3.571  10.433
  471   1HE   MET  69           HE3      MET  69  -2.080   5.756  10.437
  472   2HE   MET  69           HE1      MET  69  -1.844   5.178  12.111
  473   3HE   MET  69           HE2      MET  69  -0.556   6.105  11.289
  474    H    ASP  70           HN       ASP  70  -4.107   0.617  13.386
  475    HA   ASP  70           HA       ASP  70  -2.906  -1.828  14.153
  476   1HB   ASP  70          2HB       ASP  70  -3.776   0.018  15.668
  477   2HB   ASP  70          3HB       ASP  70  -5.414  -0.523  15.307
  478    H    ALA  71           HN       ALA  71  -6.097  -1.022  12.969
  479    HA   ALA  71           HA       ALA  71  -7.429  -3.514  13.308
  480   1HB   ALA  71          1HB       ALA  71  -7.875  -1.224  11.365
  481   2HB   ALA  71          2HB       ALA  71  -9.035  -2.543  11.630
  482   3HB   ALA  71          3HB       ALA  71  -8.634  -1.420  12.948
  483    H    GLY  72           HN       GLY  72  -5.077  -2.494  10.920
  484   1HA   GLY  72          2HA       GLY  72  -3.905  -4.350   9.870
  485   2HA   GLY  72          3HA       GLY  72  -5.433  -5.097   9.474
  486    H    TYR  73           HN       TYR  73  -4.986  -1.551   9.170
  487    HA   TYR  73           HA       TYR  73  -5.104  -1.925   6.215
  488   1HB   TYR  73          2HB       TYR  73  -6.057   0.354   7.907
  489   2HB   TYR  73          3HB       TYR  73  -6.060   0.296   6.154
  490    HD1  TYR  73           HD2      TYR  73  -7.239  -1.612   4.945
  491    HD2  TYR  73           HD1      TYR  73  -7.945  -0.663   9.083
  492    HE1  TYR  73           HE2      TYR  73  -9.569  -2.243   4.693
  493    HE2  TYR  73           HE1      TYR  73 -10.308  -1.283   8.831
  494    HH   TYR  73           HOH      TYR  73 -12.057  -1.381   6.632
  495    H    VAL  74           HN       VAL  74  -4.075  -0.132   4.962
  496    HA   VAL  74           HA       VAL  74  -1.974   1.424   6.232
  497    HB   VAL  74           HB       VAL  74  -0.922  -0.763   6.045
  498   1HG1  VAL  74          3HG1      VAL  74  -2.208  -1.756   4.175
  499   2HG1  VAL  74          1HG1      VAL  74  -1.437  -0.622   3.046
  500   3HG1  VAL  74          2HG1      VAL  74  -0.459  -1.822   3.912
  501   1HG2  VAL  74          2HG2      VAL  74   0.204   1.578   5.207
  502   2HG2  VAL  74          3HG2      VAL  74   1.046   0.063   5.436
  503   3HG2  VAL  74          1HG2      VAL  74   0.473   0.563   3.809
  504    H    LEU  75           HN       LEU  75  -1.201   3.068   4.804
  505    HA   LEU  75           HA       LEU  75  -2.833   3.867   2.601
  506   1HB   LEU  75          2HB       LEU  75  -1.454   5.363   4.031
  507   2HB   LEU  75          3HB       LEU  75  -0.004   4.501   3.504
  508    HG   LEU  75           HG       LEU  75  -0.326   5.284   1.221
  509   1HD1  LEU  75          1HD1      LEU  75  -2.760   6.724   2.380
  510   2HD1  LEU  75          2HD1      LEU  75  -2.004   7.164   0.837
  511   3HD1  LEU  75          3HD1      LEU  75  -2.743   5.571   1.034
  512   1HD2  LEU  75          1HD2      LEU  75   0.820   6.552   3.237
  513   2HD2  LEU  75          2HD2      LEU  75   0.622   7.341   1.690
  514   3HD2  LEU  75          3HD2      LEU  75  -0.521   7.688   3.018
  515    H    THR  76           HN       THR  76  -2.662   3.252   0.404
  516    HA   THR  76           HA       THR  76  -0.414   1.548  -0.469
  517    HB   THR  76           HB       THR  76  -1.892   1.740  -2.643
  518    HG1  THR  76           HG1      THR  76  -3.381   3.270  -2.047
  519   1HG2  THR  76          1HG2      THR  76  -2.776   0.302  -0.106
  520   2HG2  THR  76          2HG2      THR  76  -3.349  -0.076  -1.745
  521   3HG2  THR  76          3HG2      THR  76  -1.636  -0.305  -1.329
  522    H    CYS  77           HN       CYS  77  -1.678   4.854  -0.912
  523    HA   CYS  77           HA       CYS  77  -0.439   5.521  -3.245
  524   1HB   CYS  77          2HB       CYS  77  -2.047   6.753  -1.512
  525   2HB   CYS  77          3HB       CYS  77  -0.589   7.672  -1.197
  526    H    HIS  78           HN       HIS  78   0.936   6.074   0.034
  527    HA   HIS  78           HA       HIS  78   3.667   5.726  -1.086
  528   1HB   HIS  78          2HB       HIS  78   2.743   7.894   0.836
  529   2HB   HIS  78          3HB       HIS  78   4.413   7.363   0.722
  530    HD1  HIS  78           HND      HIS  78   3.157   7.396  -2.727
  531    HD2  HIS  78           HD       HIS  78   4.518  10.206   0.091
  532    HE1  HIS  78           HE       HIS  78   3.739   9.512  -4.018
  533    H    ALA  79           HN       ALA  79   4.784   4.202  -0.012
  534    HA   ALA  79           HA       ALA  79   4.728   3.748   2.798
  535   1HB   ALA  79          3HB       ALA  79   3.060   1.951   1.003
  536   2HB   ALA  79          1HB       ALA  79   3.919   1.302   2.417
  537   3HB   ALA  79          2HB       ALA  79   2.682   2.566   2.612
  538    H    TYR  80           HN       TYR  80   6.583   2.630   3.327
  539    HA   TYR  80           HA       TYR  80   8.409   1.817   1.115
  540   1HB   TYR  80          2HB       TYR  80   8.858   2.781   3.940
  541   2HB   TYR  80          3HB       TYR  80  10.095   2.022   2.939
  542    HD1  TYR  80           HD1      TYR  80   7.780   4.951   3.143
  543    HD2  TYR  80           HD2      TYR  80  11.171   3.188   1.164
  544    HE1  TYR  80           HE1      TYR  80   8.184   7.065   1.950
  545    HE2  TYR  80           HE2      TYR  80  11.568   5.316  -0.047
  546    HH   TYR  80           HOH      TYR  80   9.477   8.181   0.401
  547    HA   PRO  81           HA       PRO  81   7.490  -2.184   2.905
  548   1HB   PRO  81          2HB       PRO  81   8.805  -3.756   1.019
  549   2HB   PRO  81          3HB       PRO  81   7.141  -3.124   0.900
  550   1HG   PRO  81          2HG       PRO  81   9.568  -2.197  -0.543
  551   2HG   PRO  81          3HG       PRO  81   7.835  -1.920  -0.883
  552   1HD   PRO  81          2HD       PRO  81   9.623  -0.076   0.300
  553   2HD   PRO  81          3HD       PRO  81   7.878   0.085  -0.034
  554    H    THR  82           HN       THR  82   8.548  -2.842   4.782
  555    HA   THR  82           HA       THR  82  11.484  -2.574   4.849
  556    HB   THR  82           HB       THR  82  11.162  -2.892   7.264
  557    HG1  THR  82           HG1      THR  82   9.021  -2.873   8.033
  558   1HG2  THR  82          1HG2      THR  82  11.095  -0.616   6.245
  559   2HG2  THR  82          2HG2      THR  82   9.338  -0.751   6.063
  560   3HG2  THR  82          3HG2      THR  82  10.061  -0.735   7.681
  561    H    SER  83           HN       SER  83   9.179  -5.040   4.192
  562    HA   SER  83           HA       SER  83  11.193  -7.020   3.915
  563   1HB   SER  83          2HB       SER  83   9.190  -7.340   6.183
  564   2HB   SER  83          3HB       SER  83   9.990  -8.725   5.426
  565    HG   SER  83           HOG      SER  83  11.604  -6.613   6.289
  566    H    ASP  84           HN       ASP  84   9.744  -9.218   3.406
  567    HA   ASP  84           HA       ASP  84   8.026  -8.773   1.154
  568   1HB   ASP  84          2HB       ASP  84   7.553 -11.169   1.519
  569   2HB   ASP  84          3HB       ASP  84   9.260 -10.771   1.275
  570    H    VAL  85           HN       VAL  85   6.347  -7.433   1.724
  571    HA   VAL  85           HA       VAL  85   4.508  -8.231   3.923
  572    HB   VAL  85           HB       VAL  85   5.387  -5.964   4.029
  573   1HG1  VAL  85          1HG1      VAL  85   5.013  -5.895   1.223
  574   2HG1  VAL  85          2HG1      VAL  85   3.922  -4.676   1.888
  575   3HG1  VAL  85          3HG1      VAL  85   5.657  -4.640   2.270
  576   1HG2  VAL  85          3HG2      VAL  85   2.401  -6.247   3.618
  577   2HG2  VAL  85          1HG2      VAL  85   3.361  -6.067   5.109
  578   3HG2  VAL  85          2HG2      VAL  85   3.087  -4.717   4.030
  579    H    VAL  86           HN       VAL  86   2.350  -8.430   3.620
  580    HA   VAL  86           HA       VAL  86   1.413  -8.824   0.818
  581    HB   VAL  86           HB       VAL  86   0.520 -10.395   3.272
  582   1HG1  VAL  86          3HG1      VAL  86  -0.137 -10.525   0.308
  583   2HG1  VAL  86          1HG1      VAL  86  -0.509 -11.850   1.424
  584   3HG1  VAL  86          2HG1      VAL  86  -1.251 -10.257   1.617
  585   1HG2  VAL  86          1HG2      VAL  86   2.411 -11.177   1.000
  586   2HG2  VAL  86          2HG2      VAL  86   2.806 -11.096   2.728
  587   3HG2  VAL  86          3HG2      VAL  86   1.690 -12.332   2.143
  588    H    ILE  87           HN       ILE  87  -0.002  -7.230   0.376
  589    HA   ILE  87           HA       ILE  87  -1.813  -6.322   2.493
  590    HB   ILE  87           HB       ILE  87  -0.203  -4.732   2.640
  591   1HG1  ILE  87          2HG1      ILE  87  -2.404  -3.642   2.220
  592   2HG1  ILE  87          3HG1      ILE  87  -0.928  -2.688   1.974
  593   1HG2  ILE  87          2HG2      ILE  87   0.286  -4.915  -0.260
  594   2HG2  ILE  87          3HG2      ILE  87   0.909  -3.567   0.723
  595   3HG2  ILE  87          1HG2      ILE  87   1.415  -5.231   1.071
  596   1HD1  ILE  87           HD1      ILE  87  -1.003  -3.190  -0.443
  597   2HD1  ILE  87           HD2      ILE  87  -2.630  -3.831  -0.183
  598   3HD1  ILE  87           HD3      ILE  87  -2.246  -2.130   0.165
  599    H    GLU  88           HN       GLU  88  -3.878  -5.847   1.737
  600    HA   GLU  88           HA       GLU  88  -4.422  -6.562  -1.112
  601   1HB   GLU  88          2HB       GLU  88  -6.422  -5.949   1.030
  602   2HB   GLU  88          3HB       GLU  88  -6.697  -6.845  -0.481
  603   1HG   GLU  88          2HG       GLU  88  -5.496  -8.752   0.557
  604   2HG   GLU  88          3HG       GLU  88  -5.133  -7.740   1.960
  605    H    THR  89           HN       THR  89  -4.815  -4.973  -2.593
  606    HA   THR  89           HA       THR  89  -4.834  -2.181  -1.547
  607    HB   THR  89           HB       THR  89  -4.398  -1.443  -3.814
  608    HG1  THR  89           HG1      THR  89  -4.921  -4.110  -4.589
  609   1HG2  THR  89          1HG2      THR  89  -2.815  -3.988  -3.289
  610   2HG2  THR  89          2HG2      THR  89  -2.387  -2.661  -4.379
  611   3HG2  THR  89          3HG2      THR  89  -2.466  -2.378  -2.632
  612    H    HIS  90           HN       HIS  90  -6.424  -0.642  -2.838
  613    HA   HIS  90           HA       HIS  90  -8.511   0.053  -3.352
  614   1HB   HIS  90          2HB       HIS  90  -9.286  -2.851  -3.870
  615   2HB   HIS  90          3HB       HIS  90 -10.172  -1.410  -4.335
  616    HD1  HIS  90           HND      HIS  90  -6.388  -1.937  -5.020
  617    HD2  HIS  90           HD       HIS  90 -10.123  -1.657  -6.938
  618    HE1  HIS  90           HE       HIS  90  -5.900  -1.955  -7.471
  619    H    LYS  91           HN       LYS  91  -7.889  -0.070  -0.709
  620    HA   LYS  91           HA       LYS  91 -10.437  -1.017   0.586
  621   1HB   LYS  91          2HB       LYS  91  -7.713  -0.781   1.863
  622   2HB   LYS  91          3HB       LYS  91  -9.177  -1.483   2.546
  623   1HG   LYS  91          2HG       LYS  91  -7.768  -2.574   0.060
  624   2HG   LYS  91          3HG       LYS  91  -7.590  -3.202   1.695
  625   1HD   LYS  91          2HD       LYS  91  -9.761  -3.813   1.900
  626   2HD   LYS  91          3HD       LYS  91 -10.282  -3.095   0.377
  627   1HE   LYS  91          2HE       LYS  91  -9.474  -4.750  -0.933
  628   2HE   LYS  91          3HE       LYS  91  -8.036  -4.917   0.055
  629   1HZ   LYS  91          2HNZ      LYS  91  -9.450  -6.048   1.731
  630   2HZ   LYS  91          3HNZ      LYS  91 -10.673  -6.107   0.637
  631   3HZ   LYS  91          1HNZ      LYS  91  -9.215  -6.913   0.423
  632    H    GLU  92           HN       GLU  92 -10.313   1.423  -0.710
  633    HA   GLU  92           HA       GLU  92  -9.865   3.494   1.330
  634   1HB   GLU  92          2HB       GLU  92  -9.279   4.035  -0.860
  635   2HB   GLU  92          3HB       GLU  92 -10.805   3.495  -1.552
  636   1HG   GLU  92          2HG       GLU  92 -10.878   5.670   0.557
  637   2HG   GLU  92          3HG       GLU  92 -10.261   6.066  -1.060
  638    H    GLU  93           HN       GLU  93 -12.751   2.390  -0.567
  639    HA   GLU  93           HA       GLU  93 -14.540   3.277   1.471
  640   1HB   GLU  93          2HB       GLU  93 -15.000   1.516  -1.000
  641   2HB   GLU  93          3HB       GLU  93 -16.274   2.048   0.094
  642   1HG   GLU  93          2HG       GLU  93 -15.231   4.473  -0.451
  643   2HG   GLU  93          3HG       GLU  93 -14.809   3.638  -1.949
  644    H    GLU  94           HN       GLU  94 -12.963   1.819   2.847
  645    HA   GLU  94           HA       GLU  94 -14.810   0.286   4.283
  646   1HB   GLU  94          2HB       GLU  94 -13.691  -1.891   4.547
  647   2HB   GLU  94          3HB       GLU  94 -14.374  -1.649   2.943
  648   1HG   GLU  94          2HG       GLU  94 -12.239  -1.363   1.957
  649   2HG   GLU  94          3HG       GLU  94 -11.434  -1.171   3.524
  650    H    ILE  95           HN       ILE  95 -11.645   1.827   4.128
  651    HA   ILE  95           HA       ILE  95 -11.145   1.363   6.932
  652    HB   ILE  95           HB       ILE  95  -9.375   2.984   6.613
  653   1HG1  ILE  95          2HG1      ILE  95 -10.092   3.110   3.685
  654   2HG1  ILE  95          3HG1      ILE  95 -10.609   4.357   4.833
  655   1HG2  ILE  95          2HG2      ILE  95  -9.606   0.652   4.663
  656   2HG2  ILE  95          3HG2      ILE  95  -8.099   1.534   4.928
  657   3HG2  ILE  95          1HG2      ILE  95  -8.926   0.790   6.286
  658   1HD1  ILE  95           HD2      ILE  95  -7.703   3.631   4.617
  659   2HD1  ILE  95           HD3      ILE  95  -8.516   4.772   3.529
  660   3HD1  ILE  95           HD1      ILE  95  -8.467   5.068   5.296
  661    H    VAL  96           HN       VAL  96 -12.803   3.822   5.000
  662    HA   VAL  96           HA       VAL  96 -13.230   5.531   7.358
  663    HB   VAL  96           HB       VAL  96 -14.380   7.006   5.851
  664   1HG1  VAL  96          2HG1      VAL  96 -11.806   6.954   5.972
  665   2HG1  VAL  96          3HG1      VAL  96 -11.861   6.140   4.393
  666   3HG1  VAL  96          1HG1      VAL  96 -12.521   7.765   4.571
  667   1HG2  VAL  96          2HG2      VAL  96 -15.480   5.405   4.333
  668   2HG2  VAL  96          3HG2      VAL  96 -14.529   6.587   3.422
  669   3HG2  VAL  96          1HG2      VAL  96 -13.910   4.944   3.645
   
  No H/Q in entry =         668
  Start of MODEL    8
    1   1H    ALA   1          1HN       ALA   1  14.928  -2.099   0.445
    2   2H    ALA   1          2HN       ALA   1  15.828  -1.169  -0.627
    3   2H    ALA   1          3HN       ALA   1  15.828  -1.169  -0.627
    4    HA   ALA   1           HA       ALA   1  17.439  -2.760  -0.979
    5   1HB   ALA   1          3HB       ALA   1  17.802  -2.924   1.468
    6   2HB   ALA   1          1HB       ALA   1  16.528  -4.158   1.548
    7   3HB   ALA   1          2HB       ALA   1  18.014  -4.473   0.632
    8    H    THR   2           HN       THR   2  14.140  -3.241  -1.295
    9    HA   THR   2           HA       THR   2  13.163  -4.306  -2.978
   10    HB   THR   2           HB       THR   2  15.767  -5.665  -3.600
   11    HG1  THR   2           HG1      THR   2  14.739  -3.116  -4.352
   12   1HG2  THR   2          3HG2      THR   2  13.315  -4.900  -5.247
   13   2HG2  THR   2          1HG2      THR   2  14.883  -5.368  -5.929
   14   3HG2  THR   2          2HG2      THR   2  13.976  -6.528  -4.951
   15    H    TYR   3           HN       TYR   3  11.622  -5.277  -1.817
   16    HA   TYR   3           HA       TYR   3  12.115  -8.050  -0.810
   17   1HB   TYR   3          2HB       TYR   3  10.294  -5.852   0.233
   18   2HB   TYR   3          3HB       TYR   3  10.364  -7.481   0.865
   19    HD1  TYR   3           HD1      TYR   3  12.438  -8.303   2.033
   20    HD2  TYR   3           HD2      TYR   3  12.113  -4.233   0.646
   21    HE1  TYR   3           HE1      TYR   3  14.303  -7.646   3.525
   22    HE2  TYR   3           HE2      TYR   3  14.063  -3.617   2.075
   23    HH   TYR   3           HOH      TYR   3  15.402  -5.787   4.487
   24    H    ASN   4           HN       ASN   4  10.234  -9.404  -0.686
   25    HA   ASN   4           HA       ASN   4   8.670  -9.596  -3.079
   26   1HB   ASN   4          2HB       ASN   4   9.646 -11.547  -1.978
   27   2HB   ASN   4          3HB       ASN   4   8.913 -11.104  -0.433
   28   1HD2  ASN   4          2HND      ASN   4   6.042 -12.233  -3.113
   29   2HD2  ASN   4          1HND      ASN   4   6.924 -10.708  -3.297
   30    H    VAL   5           HN       VAL   5   7.143  -7.959  -3.207
   31    HA   VAL   5           HA       VAL   5   5.309  -7.665  -0.884
   32    HB   VAL   5           HB       VAL   5   5.524  -5.823  -3.242
   33   1HG1  VAL   5          2HG1      VAL   5   4.088  -5.690  -0.532
   34   2HG1  VAL   5          3HG1      VAL   5   4.231  -4.333  -1.654
   35   3HG1  VAL   5          1HG1      VAL   5   3.327  -5.772  -2.124
   36   1HG2  VAL   5          3HG2      VAL   5   6.854  -5.836  -0.500
   37   2HG2  VAL   5          1HG2      VAL   5   7.595  -5.579  -2.082
   38   3HG2  VAL   5          2HG2      VAL   5   6.543  -4.327  -1.365
   39    H    LYS   6           HN       LYS   6   3.374  -8.787  -1.059
   40    HA   LYS   6           HA       LYS   6   2.272  -9.224  -3.784
   41   1HB   LYS   6          2HB       LYS   6   2.330 -11.095  -2.201
   42   2HB   LYS   6          3HB       LYS   6   1.341 -10.162  -1.091
   43   1HG   LYS   6          2HG       LYS   6  -0.451  -9.958  -2.920
   44   2HG   LYS   6          3HG       LYS   6   0.590 -10.935  -3.964
   45   1HD   LYS   6          2HD       LYS   6  -0.773 -11.780  -1.360
   46   2HD   LYS   6          3HD       LYS   6  -1.174 -12.175  -3.014
   47   1HE   LYS   6          2HE       LYS   6   1.330 -13.005  -3.156
   48   2HE   LYS   6          3HE       LYS   6   1.242 -13.070  -1.402
   49   1HZ   LYS   6          3HNZ      LYS   6  -0.697 -14.331  -3.293
   50   2HZ   LYS   6          1HNZ      LYS   6   0.628 -15.138  -2.718
   51   3HZ   LYS   6          2HNZ      LYS   6  -0.586 -14.660  -1.690
   52    H    LEU   7           HN       LEU   7   0.715  -8.028  -4.633
   53    HA   LEU   7           HA       LEU   7  -1.019  -6.353  -2.858
   54   1HB   LEU   7          2HB       LEU   7  -0.379  -6.200  -5.808
   55   2HB   LEU   7          3HB       LEU   7  -1.424  -5.094  -4.962
   56    HG   LEU   7           HG       LEU   7   1.568  -5.463  -4.754
   57   1HD1  LEU   7          2HD1      LEU   7   0.400  -4.093  -6.526
   58   2HD1  LEU   7          3HD1      LEU   7  -0.054  -2.948  -5.264
   59   3HD1  LEU   7          1HD1      LEU   7   1.666  -3.224  -5.610
   60   1HD2  LEU   7          2HD2      LEU   7  -0.190  -3.839  -2.868
   61   2HD2  LEU   7          3HD2      LEU   7   0.989  -5.113  -2.465
   62   3HD2  LEU   7          1HD2      LEU   7   1.550  -3.566  -3.082
   63    H    ILE   8           HN       ILE   8  -2.722  -7.554  -2.252
   64    HA   ILE   8           HA       ILE   8  -4.006  -9.346  -4.241
   65    HB   ILE   8           HB       ILE   8  -4.647  -8.523  -1.425
   66   1HG1  ILE   8          2HG1      ILE   8  -3.909 -11.189  -2.634
   67   2HG1  ILE   8          3HG1      ILE   8  -2.825 -10.129  -1.716
   68   1HG2  ILE   8          2HG2      ILE   8  -6.784  -8.764  -2.729
   69   2HG2  ILE   8          3HG2      ILE   8  -6.242 -10.367  -3.269
   70   3HG2  ILE   8          1HG2      ILE   8  -6.597 -10.056  -1.556
   71   1HD1  ILE   8           HD1      ILE   8  -4.440 -10.368   0.231
   72   2HD1  ILE   8           HD2      ILE   8  -5.254 -11.645  -0.699
   73   3HD1  ILE   8           HD3      ILE   8  -3.557 -11.835  -0.235
   74    H    THR   9           HN       THR   9  -4.459  -8.128  -5.971
   75    HA   THR   9           HA       THR   9  -6.036  -5.674  -5.690
   76    HB   THR   9           HB       THR   9  -5.710  -5.597  -8.119
   77    HG1  THR   9           HG1      THR   9  -5.410  -7.936  -8.428
   78   1HG2  THR   9          1HG2      THR   9  -3.124  -6.146  -6.582
   79   2HG2  THR   9          2HG2      THR   9  -3.233  -5.301  -8.133
   80   3HG2  THR   9          3HG2      THR   9  -3.951  -4.563  -6.690
   81    HA   PRO  10           HA       PRO  10  -9.902  -7.710  -6.515
   82   1HB   PRO  10          2HB       PRO  10 -10.448  -5.824  -8.722
   83   2HB   PRO  10          3HB       PRO  10 -11.404  -6.175  -7.242
   84   1HG   PRO  10          2HG       PRO  10  -9.944  -3.949  -7.633
   85   2HG   PRO  10          3HG       PRO  10 -10.138  -4.633  -6.000
   86   1HD   PRO  10          2HD       PRO  10  -7.787  -4.682  -7.727
   87   2HD   PRO  10          3HD       PRO  10  -7.900  -4.755  -5.999
   88    H    ASP  11           HN       ASP  11  -7.908  -6.848  -9.299
   89    HA   ASP  11           HA       ASP  11  -8.771  -8.407 -11.417
   90   1HB   ASP  11          2HB       ASP  11  -6.053  -7.438 -10.412
   91   2HB   ASP  11          3HB       ASP  11  -6.197  -8.380 -11.877
   92    H    GLY  12           HN       GLY  12  -7.004  -9.262  -8.517
   93   1HA   GLY  12          2HA       GLY  12  -7.209 -11.329  -7.637
   94   2HA   GLY  12          3HA       GLY  12  -7.052 -12.157  -9.211
   95    H    GLU  13           HN       GLU  13  -5.331  -9.891  -7.095
   96    HA   GLU  13           HA       GLU  13  -3.281  -9.744  -6.224
   97   1HB   GLU  13          2HB       GLU  13  -3.087 -12.589  -7.187
   98   2HB   GLU  13          3HB       GLU  13  -1.723 -11.741  -6.487
   99   1HG   GLU  13          2HG       GLU  13  -2.690 -11.428  -4.464
  100   2HG   GLU  13          3HG       GLU  13  -4.339 -11.828  -5.012
  101    H    VAL  14           HN       VAL  14  -1.294  -9.043  -6.626
  102    HA   VAL  14           HA       VAL  14   0.109  -9.913  -8.987
  103    HB   VAL  14           HB       VAL  14  -1.090  -8.023  -9.833
  104   1HG1  VAL  14          2HG1      VAL  14  -1.285  -6.669  -7.789
  105   2HG1  VAL  14          3HG1      VAL  14   0.409  -6.163  -7.999
  106   3HG1  VAL  14          1HG1      VAL  14  -0.811  -5.770  -9.229
  107   1HG2  VAL  14          3HG2      VAL  14   1.172  -8.645 -10.679
  108   2HG2  VAL  14          1HG2      VAL  14   0.769  -6.941 -10.931
  109   3HG2  VAL  14          2HG2      VAL  14   1.866  -7.411  -9.605
  110    H    GLU  15           HN       GLU  15   1.792 -10.737  -8.026
  111    HA   GLU  15           HA       GLU  15   3.048  -9.483  -5.698
  112   1HB   GLU  15          2HB       GLU  15   2.551 -12.129  -6.383
  113   2HB   GLU  15          3HB       GLU  15   4.219 -11.943  -6.947
  114   1HG   GLU  15          2HG       GLU  15   4.870 -11.155  -4.699
  115   2HG   GLU  15          3HG       GLU  15   3.181 -11.216  -4.186
  116    H    PHE  16           HN       PHE  16   5.019  -8.534  -5.689
  117    HA   PHE  16           HA       PHE  16   6.716  -8.520  -8.051
  118   1HB   PHE  16          2HB       PHE  16   6.560  -6.446  -8.795
  119   2HB   PHE  16          3HB       PHE  16   4.896  -6.928  -8.638
  120    HD1  PHE  16           HD2      PHE  16   3.956  -6.398  -6.063
  121    HD2  PHE  16           HD1      PHE  16   7.178  -4.306  -8.050
  122    HE1  PHE  16           HE2      PHE  16   3.734  -4.551  -4.532
  123    HE2  PHE  16           HE1      PHE  16   6.811  -2.398  -6.662
  124    HZ   PHE  16           HZ       PHE  16   4.983  -2.384  -4.936
  125    H    LYS  17           HN       LYS  17   8.593  -6.910  -7.763
  126    HA   LYS  17           HA       LYS  17   9.552  -7.237  -4.983
  127   1HB   LYS  17          2HB       LYS  17  10.816  -7.666  -7.501
  128   2HB   LYS  17          3HB       LYS  17  11.584  -6.256  -6.787
  129   1HG   LYS  17          2HG       LYS  17  12.747  -8.259  -6.134
  130   2HG   LYS  17          3HG       LYS  17  12.000  -7.508  -4.695
  131   1HD   LYS  17          2HD       LYS  17  10.598  -9.263  -4.316
  132   2HD   LYS  17          3HD       LYS  17  10.219  -9.404  -6.022
  133   1HE   LYS  17          2HE       LYS  17  11.298 -11.467  -5.228
  134   2HE   LYS  17          3HE       LYS  17  12.326 -10.661  -6.420
  135   1HZ   LYS  17          3HNZ      LYS  17  13.607  -9.750  -4.562
  136   2HZ   LYS  17          1HNZ      LYS  17  12.664 -10.555  -3.486
  137   3HZ   LYS  17          2HNZ      LYS  17  13.601 -11.394  -4.544
  138    H    CYS  18           HN       CYS  18   9.535  -5.485  -3.718
  139    HA   CYS  18           HA       CYS  18   9.418  -2.764  -5.037
  140   1HB   CYS  18          2HB       CYS  18   7.258  -3.581  -3.989
  141   2HB   CYS  18          3HB       CYS  18   8.153  -3.417  -2.467
  142    HG   CYS  18           HSG      CYS  18   7.731  -1.203  -4.902
  143    H    ASP  19           HN       ASP  19  11.078  -1.490  -4.558
  144    HA   ASP  19           HA       ASP  19  13.067  -2.246  -2.636
  145   1HB   ASP  19          2HB       ASP  19  12.680   0.442  -3.954
  146   2HB   ASP  19          3HB       ASP  19  14.068  -0.095  -3.048
  147    H    ASP  20           HN       ASP  20  13.249  -1.658  -0.583
  148    HA   ASP  20           HA       ASP  20  11.161  -0.579   1.084
  149   1HB   ASP  20          2HB       ASP  20  13.083  -1.713   2.080
  150   2HB   ASP  20          3HB       ASP  20  14.174  -0.447   1.435
  151    H    ASP  21           HN       ASP  21  13.792   0.722  -0.799
  152    HA   ASP  21           HA       ASP  21  13.695   3.379   0.090
  153   1HB   ASP  21          2HB       ASP  21  14.842   2.543  -2.572
  154   2HB   ASP  21          3HB       ASP  21  15.433   3.651  -1.310
  155    H    VAL  22           HN       VAL  22  11.399   1.778  -1.893
  156    HA   VAL  22           HA       VAL  22  10.659   4.310  -3.246
  157    HB   VAL  22           HB       VAL  22  11.900   2.529  -4.697
  158   1HG1  VAL  22          3HG1      VAL  22  10.342   0.616  -3.881
  159   2HG1  VAL  22          1HG1      VAL  22   9.121   1.313  -4.939
  160   3HG1  VAL  22          2HG1      VAL  22  10.676   0.744  -5.593
  161   1HG2  VAL  22          2HG2      VAL  22  10.711   4.518  -5.580
  162   2HG2  VAL  22          3HG2      VAL  22  10.519   3.100  -6.635
  163   3HG2  VAL  22          1HG2      VAL  22   9.197   3.587  -5.558
  164    H    TYR  23           HN       TYR  23   8.366   4.448  -3.761
  165    HA   TYR  23           HA       TYR  23   6.820   3.362  -1.583
  166   1HB   TYR  23          2HB       TYR  23   5.962   4.957  -3.991
  167   2HB   TYR  23          3HB       TYR  23   4.981   4.655  -2.546
  168    HD1  TYR  23           HD1      TYR  23   6.292   5.309  -0.251
  169    HD2  TYR  23           HD2      TYR  23   7.023   7.027  -4.128
  170    HE1  TYR  23           HE1      TYR  23   7.185   7.361   0.830
  171    HE2  TYR  23           HE2      TYR  23   8.019   9.021  -3.058
  172    HH   TYR  23           HOH      TYR  23   8.527  10.069  -1.073
  173    H    VAL  24           HN       VAL  24   5.113   1.872  -1.694
  174    HA   VAL  24           HA       VAL  24   5.185  -0.143  -3.807
  175    HB   VAL  24           HB       VAL  24   2.994   0.178  -1.740
  176   1HG1  VAL  24          2HG1      VAL  24   2.950  -1.726  -3.481
  177   2HG1  VAL  24          3HG1      VAL  24   4.461  -2.298  -2.736
  178   3HG1  VAL  24          1HG1      VAL  24   2.964  -2.251  -1.785
  179   1HG2  VAL  24          1HG2      VAL  24   5.814  -0.782  -1.280
  180   2HG2  VAL  24          2HG2      VAL  24   4.867   0.365  -0.304
  181   3HG2  VAL  24          3HG2      VAL  24   4.472  -1.343  -0.256
  182    H    LEU  25           HN       LEU  25   4.774   2.065  -5.171
  183    HA   LEU  25           HA       LEU  25   2.458   1.278  -6.591
  184   1HB   LEU  25          2HB       LEU  25   1.198   3.145  -6.860
  185   2HB   LEU  25          3HB       LEU  25   1.383   3.007  -5.112
  186    HG   LEU  25           HG       LEU  25   2.924   4.956  -6.904
  187   1HD1  LEU  25          1HD1      LEU  25   0.452   5.393  -5.198
  188   2HD1  LEU  25          2HD1      LEU  25   1.386   6.661  -6.019
  189   3HD1  LEU  25          3HD1      LEU  25   0.534   5.430  -6.971
  190   1HD2  LEU  25          2HD2      LEU  25   3.951   4.347  -4.647
  191   2HD2  LEU  25          3HD2      LEU  25   3.565   6.063  -4.858
  192   3HD2  LEU  25          1HD2      LEU  25   2.511   5.024  -3.882
  193    H    ASP  26           HN       ASP  26   5.011   3.745  -6.225
  194    HA   ASP  26           HA       ASP  26   5.480   4.443  -8.856
  195   1HB   ASP  26          2HB       ASP  26   7.245   4.089  -6.420
  196   2HB   ASP  26          3HB       ASP  26   7.968   4.547  -7.971
  197    H    GLN  27           HN       GLN  27   7.419   1.912  -7.164
  198    HA   GLN  27           HA       GLN  27   8.474   0.899  -9.621
  199   1HB   GLN  27          2HB       GLN  27   9.645   0.895  -7.546
  200   2HB   GLN  27          3HB       GLN  27   8.466  -0.191  -6.774
  201   1HG   GLN  27          2HG       GLN  27   9.150  -2.031  -8.050
  202   2HG   GLN  27          3HG       GLN  27   9.906  -1.011  -9.291
  203   1HE2  GLN  27          2HNE      GLN  27  12.298  -2.349  -6.329
  204   2HE2  GLN  27          1HNE      GLN  27  10.757  -3.102  -6.819
  205    H    ALA  28           HN       ALA  28   5.424   0.458  -8.115
  206    HA   ALA  28           HA       ALA  28   4.937  -2.274  -9.006
  207   1HB   ALA  28          1HB       ALA  28   3.803  -0.726  -7.097
  208   2HB   ALA  28          2HB       ALA  28   2.724  -0.326  -8.462
  209   3HB   ALA  28          3HB       ALA  28   2.926  -1.999  -7.915
  210    H    GLU  29           HN       GLU  29   4.017   1.045 -10.040
  211    HA   GLU  29           HA       GLU  29   2.680   0.345 -12.393
  212   1HB   GLU  29          2HB       GLU  29   4.199   2.858 -11.579
  213   2HB   GLU  29          3HB       GLU  29   3.246   2.738 -13.066
  214   1HG   GLU  29          2HG       GLU  29   1.208   2.294 -11.838
  215   2HG   GLU  29          3HG       GLU  29   2.072   2.167 -10.305
  216    H    GLU  30           HN       GLU  30   6.171   0.965 -11.790
  217    HA   GLU  30           HA       GLU  30   7.158   0.576 -14.383
  218   1HB   GLU  30          2HB       GLU  30   8.380  -0.336 -11.773
  219   2HB   GLU  30          3HB       GLU  30   9.226  -0.269 -13.315
  220   1HG   GLU  30          2HG       GLU  30   7.925   2.235 -12.165
  221   2HG   GLU  30          3HG       GLU  30   9.550   1.716 -11.714
  222    H    GLU  31           HN       GLU  31   5.930  -1.949 -12.203
  223    HA   GLU  31           HA       GLU  31   6.811  -4.068 -14.047
  224   1HB   GLU  31          2HB       GLU  31   4.938  -4.277 -11.671
  225   2HB   GLU  31          3HB       GLU  31   5.826  -5.564 -12.477
  226   1HG   GLU  31          2HG       GLU  31   7.699  -3.481 -11.682
  227   2HG   GLU  31          3HG       GLU  31   6.622  -3.761 -10.348
  228    H    GLY  32           HN       GLY  32   4.048  -2.087 -13.398
  229   1HA   GLY  32          2HA       GLY  32   2.474  -1.765 -15.270
  230   2HA   GLY  32          3HA       GLY  32   2.350  -3.523 -15.428
  231    H    ILE  33           HN       ILE  33   2.592  -2.453 -12.122
  232    HA   ILE  33           HA       ILE  33  -0.085  -3.415 -11.592
  233    HB   ILE  33           HB       ILE  33   1.963  -2.013  -9.908
  234   1HG1  ILE  33          2HG1      ILE  33   1.104  -4.885 -10.211
  235   2HG1  ILE  33          3HG1      ILE  33   2.621  -4.226 -10.836
  236   1HG2  ILE  33          2HG2      ILE  33  -0.386  -1.723  -8.973
  237   2HG2  ILE  33          3HG2      ILE  33  -0.480  -3.488  -8.874
  238   3HG2  ILE  33          1HG2      ILE  33   0.736  -2.563  -7.955
  239   1HD1  ILE  33           HD1      ILE  33   2.076  -4.409  -7.868
  240   2HD1  ILE  33           HD2      ILE  33   2.947  -5.600  -8.826
  241   3HD1  ILE  33           HD3      ILE  33   3.580  -3.971  -8.696
  242    H    ASP  34           HN       ASP  34  -1.832  -2.301 -12.120
  243    HA   ASP  34           HA       ASP  34  -1.904   0.639 -12.135
  244   1HB   ASP  34          2HB       ASP  34  -3.022  -0.795 -13.877
  245   2HB   ASP  34          3HB       ASP  34  -4.124  -1.381 -12.608
  246    H    ILE  35           HN       ILE  35  -1.356   0.650  -9.676
  247    HA   ILE  35           HA       ILE  35  -3.473  -0.184  -7.958
  248    HB   ILE  35           HB       ILE  35  -0.917   0.743  -7.572
  249   1HG1  ILE  35          2HG1      ILE  35  -2.719  -0.037  -5.344
  250   2HG1  ILE  35          3HG1      ILE  35  -1.915  -1.091  -6.520
  251   1HG2  ILE  35          1HG2      ILE  35  -1.695   3.091  -7.388
  252   2HG2  ILE  35          2HG2      ILE  35  -2.661   2.632  -5.967
  253   3HG2  ILE  35          3HG2      ILE  35  -0.906   2.509  -5.932
  254   1HD1  ILE  35           HD3      ILE  35   0.280  -0.274  -5.788
  255   2HD1  ILE  35           HD1      ILE  35  -0.489   0.825  -4.621
  256   3HD1  ILE  35           HD2      ILE  35  -0.643  -0.914  -4.416
  257    HA   PRO  36           HA       PRO  36  -6.324   3.095  -8.603
  258   1HB   PRO  36          2HB       PRO  36  -7.773   3.149  -6.283
  259   2HB   PRO  36          3HB       PRO  36  -7.752   1.762  -7.401
  260   1HG   PRO  36          2HG       PRO  36  -6.260   2.004  -4.786
  261   2HG   PRO  36          3HG       PRO  36  -7.101   0.638  -5.501
  262   1HD   PRO  36          2HD       PRO  36  -4.349   1.213  -5.648
  263   2HD   PRO  36          3HD       PRO  36  -5.146   0.052  -6.694
  264    H    TYR  37           HN       TYR  37  -4.313   4.517  -8.669
  265    HA   TYR  37           HA       TYR  37  -3.687   6.373  -6.595
  266   1HB   TYR  37          2HB       TYR  37  -2.313   5.994  -8.570
  267   2HB   TYR  37          3HB       TYR  37  -3.579   6.604  -9.622
  268    HD1  TYR  37           HD2      TYR  37  -0.973   7.582  -7.119
  269    HD2  TYR  37           HD1      TYR  37  -3.908   9.027  -9.940
  270    HE1  TYR  37           HE2      TYR  37   0.352   9.623  -7.478
  271    HE2  TYR  37           HE1      TYR  37  -2.727  11.164 -10.067
  272    HH   TYR  37           HOH      TYR  37  -0.928  12.381  -9.364
  273    H    SER  38           HN       SER  38  -5.843   6.687  -5.710
  274    HA   SER  38           HA       SER  38  -7.733   8.402  -7.164
  275   1HB   SER  38          2HB       SER  38  -8.133   6.437  -5.416
  276   2HB   SER  38          3HB       SER  38  -7.947   7.741  -4.232
  277    HG   SER  38           HOG      SER  38 -10.124   7.523  -4.868
  278    H    CYS  39           HN       CYS  39  -4.886   9.287  -6.148
  279    HA   CYS  39           HA       CYS  39  -5.592  11.761  -4.644
  280   1HB   CYS  39          2HB       CYS  39  -3.975   9.388  -3.887
  281   2HB   CYS  39          3HB       CYS  39  -3.853  10.978  -3.017
  282    H    ARG  40           HN       ARG  40  -2.452  10.472  -4.316
  283    HA   ARG  40           HA       ARG  40  -0.870  11.436  -6.361
  284   1HB   ARG  40          2HB       ARG  40  -1.671  13.573  -6.174
  285   2HB   ARG  40          3HB       ARG  40  -1.658  13.565  -4.388
  286   1HG   ARG  40          2HG       ARG  40   0.865  13.424  -4.486
  287   2HG   ARG  40          3HG       ARG  40   0.784  13.553  -6.239
  288   1HD   ARG  40          2HD       ARG  40   0.143  15.797  -6.153
  289   2HD   ARG  40          3HD       ARG  40  -0.593  15.677  -4.565
  290    HE   ARG  40           HNE      ARG  40   2.195  16.236  -5.189
  291   1HH1  ARG  40          2HN2      ARG  40   0.117  14.775  -2.763
  292   2HH1  ARG  40          1HN2      ARG  40   0.973  15.336  -1.366
  293   1HH2  ARG  40          2HN1      ARG  40   3.599  16.756  -3.401
  294   2HH2  ARG  40          1HN1      ARG  40   3.141  16.311  -1.786
  295    H    ALA  41           HN       ALA  41  -0.902  11.958  -2.779
  296    HA   ALA  41           HA       ALA  41   0.849   9.922  -2.028
  297   1HB   ALA  41          3HB       ALA  41   2.325  12.385  -3.048
  298   2HB   ALA  41          1HB       ALA  41   3.007  11.315  -1.835
  299   3HB   ALA  41          2HB       ALA  41   2.641  10.675  -3.431
  300    H    GLY  42           HN       GLY  42  -0.267  10.060  -0.044
  301   1HA   GLY  42          2HA       GLY  42   0.154  10.280   2.168
  302   2HA   GLY  42          3HA       GLY  42   1.443  11.423   1.793
  303    H    SER  43           HN       SER  43   0.291  13.600   0.815
  304    HA   SER  43           HA       SER  43  -1.289  14.781   3.013
  305   1HB   SER  43          2HB       SER  43  -0.894  16.832   1.621
  306   2HB   SER  43          3HB       SER  43   0.621  16.019   2.066
  307    HG   SER  43           HOG      SER  43  -0.832  15.738  -0.346
  308    H    CYS  44           HN       CYS  44  -2.941  12.967   2.287
  309    HA   CYS  44           HA       CYS  44  -4.494  13.872  -0.101
  310   1HB   CYS  44          2HB       CYS  44  -4.813  11.613  -0.592
  311   2HB   CYS  44          3HB       CYS  44  -3.137  12.111  -0.730
  312    H    SER  45           HN       SER  45  -5.194  11.345   2.317
  313    HA   SER  45           HA       SER  45  -7.002  11.044   3.653
  314   1HB   SER  45          2HB       SER  45  -7.133  13.676   3.767
  315   2HB   SER  45          3HB       SER  45  -8.540  13.441   2.718
  316    HG   SER  45           HOG      SER  45  -8.075  12.160   5.226
  317    H    SER  46           HN       SER  46  -6.541   9.762   1.325
  318    HA   SER  46           HA       SER  46  -8.998   8.502   0.808
  319   1HB   SER  46          2HB       SER  46  -7.995  10.450  -1.295
  320   2HB   SER  46          3HB       SER  46  -8.767   8.944  -1.807
  321    HG   SER  46           HOG      SER  46  -9.913  10.703   0.096
  322    H    CYS  47           HN       CYS  47  -8.383   6.870  -1.135
  323    HA   CYS  47           HA       CYS  47  -7.650   4.898  -1.044
  324   1HB   CYS  47          2HB       CYS  47  -5.267   4.560  -2.100
  325   2HB   CYS  47          3HB       CYS  47  -6.773   4.890  -2.914
  326    H    ALA  48           HN       ALA  48  -6.216   3.071  -0.664
  327    HA   ALA  48           HA       ALA  48  -4.627   2.887   1.642
  328   1HB   ALA  48          3HB       ALA  48  -7.605   2.619   2.184
  329   2HB   ALA  48          1HB       ALA  48  -6.350   1.921   3.229
  330   3HB   ALA  48          2HB       ALA  48  -6.413   3.661   2.999
  331    H    GLY  49           HN       GLY  49  -4.602   0.643   2.504
  332   1HA   GLY  49          2HA       GLY  49  -5.736  -1.448   0.826
  333   2HA   GLY  49          3HA       GLY  49  -3.976  -1.407   0.992
  334    H    LYS  50           HN       LYS  50  -5.408  -3.609   1.950
  335    HA   LYS  50           HA       LYS  50  -5.461  -3.349   4.878
  336   1HB   LYS  50          2HB       LYS  50  -7.239  -4.394   3.225
  337   2HB   LYS  50          3HB       LYS  50  -6.249  -5.835   3.353
  338   1HG   LYS  50          2HG       LYS  50  -6.742  -6.155   5.621
  339   2HG   LYS  50          3HG       LYS  50  -7.005  -4.427   5.900
  340   1HD   LYS  50          2HD       LYS  50  -9.002  -4.595   4.329
  341   2HD   LYS  50          3HD       LYS  50  -8.916  -6.349   4.576
  342   1HE   LYS  50          2HE       LYS  50  -9.124  -6.047   7.028
  343   2HE   LYS  50          3HE       LYS  50  -9.002  -4.313   6.887
  344   1HZ   LYS  50          3HNZ      LYS  50 -11.252  -5.735   5.631
  345   2HZ   LYS  50          1HNZ      LYS  50 -11.291  -5.079   7.145
  346   3HZ   LYS  50          2HNZ      LYS  50 -11.073  -4.114   5.853
  347    H    VAL  51           HN       VAL  51  -3.678  -3.961   6.012
  348    HA   VAL  51           HA       VAL  51  -1.416  -5.308   4.776
  349    HB   VAL  51           HB       VAL  51  -2.098  -4.695   7.717
  350   1HG1  VAL  51          1HG1      VAL  51   0.602  -5.398   6.483
  351   2HG1  VAL  51          2HG1      VAL  51   0.304  -4.897   8.162
  352   3HG1  VAL  51          3HG1      VAL  51  -0.358  -6.427   7.580
  353   1HG2  VAL  51          1HG2      VAL  51  -1.951  -2.648   6.389
  354   2HG2  VAL  51          2HG2      VAL  51  -0.621  -2.725   7.543
  355   3HG2  VAL  51          3HG2      VAL  51  -0.320  -3.105   5.836
  356    H    VAL  52           HN       VAL  52  -1.543  -7.410   4.284
  357    HA   VAL  52           HA       VAL  52  -3.244  -9.251   5.876
  358    HB   VAL  52           HB       VAL  52  -1.448  -9.671   3.500
  359   1HG1  VAL  52          1HG1      VAL  52  -3.496 -11.527   4.787
  360   2HG1  VAL  52          2HG1      VAL  52  -2.727 -11.822   3.217
  361   3HG1  VAL  52          3HG1      VAL  52  -1.743 -11.801   4.683
  362   1HG2  VAL  52          1HG2      VAL  52  -4.465  -9.334   3.654
  363   2HG2  VAL  52          2HG2      VAL  52  -3.296  -8.229   2.892
  364   3HG2  VAL  52          3HG2      VAL  52  -3.559  -9.831   2.209
  365    H    SER  53           HN       SER  53   0.237  -8.568   5.221
  366    HA   SER  53           HA       SER  53   0.997  -9.792   7.745
  367   1HB   SER  53          2HB       SER  53   0.787 -11.791   6.214
  368   2HB   SER  53          3HB       SER  53   2.036 -11.072   5.175
  369    HG   SER  53           HOG      SER  53   2.906 -12.551   6.720
  370    H    GLY  54           HN       GLY  54   3.645 -10.010   7.390
  371   1HA   GLY  54          2HA       GLY  54   5.606  -8.758   7.401
  372   2HA   GLY  54          3HA       GLY  54   5.018  -8.030   5.914
  373    H    SER  55           HN       SER  55   6.028  -5.954   6.573
  374    HA   SER  55           HA       SER  55   3.969  -4.318   7.705
  375   1HB   SER  55          2HB       SER  55   6.765  -4.244   8.929
  376   2HB   SER  55          3HB       SER  55   5.428  -3.153   9.284
  377    HG   SER  55           HOG      SER  55   4.507  -5.597   9.681
  378    H    ILE  56           HN       ILE  56   4.470  -2.071   7.114
  379    HA   ILE  56           HA       ILE  56   6.731  -1.562   5.362
  380    HB   ILE  56           HB       ILE  56   5.259  -0.328   3.786
  381   1HG1  ILE  56          2HG1      ILE  56   2.956  -1.732   5.152
  382   2HG1  ILE  56          3HG1      ILE  56   3.257   0.007   5.061
  383   1HG2  ILE  56          3HG2      ILE  56   5.786  -3.075   3.781
  384   2HG2  ILE  56          1HG2      ILE  56   4.095  -2.968   3.309
  385   3HG2  ILE  56          2HG2      ILE  56   5.313  -2.083   2.387
  386   1HD1  ILE  56           HD3      ILE  56   3.261  -0.824   2.350
  387   2HD1  ILE  56           HD1      ILE  56   1.979  -1.784   3.109
  388   3HD1  ILE  56           HD2      ILE  56   1.938  -0.016   3.176
  389    H    ASP  57           HN       ASP  57   7.188   0.778   5.426
  390    HA   ASP  57           HA       ASP  57   6.145   2.027   7.918
  391   1HB   ASP  57          2HB       ASP  57   8.627   1.864   7.680
  392   2HB   ASP  57          3HB       ASP  57   8.525   2.812   6.191
  393    H    GLN  58           HN       GLN  58   4.326   3.095   7.442
  394    HA   GLN  58           HA       GLN  58   4.243   4.867   5.029
  395   1HB   GLN  58          2HB       GLN  58   1.835   4.941   5.600
  396   2HB   GLN  58          3HB       GLN  58   2.405   3.365   5.045
  397   1HG   GLN  58          2HG       GLN  58   2.365   2.482   7.259
  398   2HG   GLN  58          3HG       GLN  58   2.238   4.093   7.986
  399   1HE2  GLN  58          2HNE      GLN  58  -1.059   2.399   8.123
  400   2HE2  GLN  58          1HNE      GLN  58   0.560   2.079   8.713
  401    H    SER  59           HN       SER  59   5.991   5.710   7.157
  402    HA   SER  59           HA       SER  59   4.404   7.469   8.860
  403   1HB   SER  59          2HB       SER  59   6.719   6.181   9.293
  404   2HB   SER  59          3HB       SER  59   7.379   7.724   8.737
  405    HG   SER  59           HOG      SER  59   5.569   7.184  10.873
  406    H    ASP  60           HN       ASP  60   4.971   7.864   5.683
  407    HA   ASP  60           HA       ASP  60   5.734  10.736   5.781
  408   1HB   ASP  60          2HB       ASP  60   5.653   8.651   3.565
  409   2HB   ASP  60          3HB       ASP  60   5.958  10.375   3.291
  410    H    GLN  61           HN       GLN  61   2.853   9.360   6.248
  411    HA   GLN  61           HA       GLN  61   1.387  11.149   4.336
  412   1HB   GLN  61          2HB       GLN  61  -0.429   9.610   4.588
  413   2HB   GLN  61          3HB       GLN  61   1.072   8.710   4.322
  414   1HG   GLN  61          2HG       GLN  61   1.161   8.582   6.988
  415   2HG   GLN  61          3HG       GLN  61  -0.535   9.074   6.905
  416   1HE2  GLN  61          2HNE      GLN  61  -1.003   5.522   6.798
  417   2HE2  GLN  61          1HNE      GLN  61  -1.123   6.925   7.864
  418    H    SER  62           HN       SER  62  -0.834  11.779   5.220
  419    HA   SER  62           HA       SER  62  -1.022  11.863   8.155
  420   1HB   SER  62          2HB       SER  62  -0.028  14.066   7.639
  421   2HB   SER  62          3HB       SER  62  -1.357  14.405   6.507
  422    HG   SER  62           HOG      SER  62  -2.791  14.190   8.276
  423    H    PHE  63           HN       PHE  63  -2.354  10.033   7.209
  424    HA   PHE  63           HA       PHE  63  -5.102  11.033   6.956
  425   1HB   PHE  63          2HB       PHE  63  -4.626  10.695   4.658
  426   2HB   PHE  63          3HB       PHE  63  -3.878   9.124   4.962
  427    HD1  PHE  63           HD2      PHE  63  -7.105   9.971   6.685
  428    HD2  PHE  63           HD1      PHE  63  -5.256   8.173   3.188
  429    HE1  PHE  63           HE2      PHE  63  -9.141   8.713   6.237
  430    HE2  PHE  63           HE1      PHE  63  -7.337   6.984   2.739
  431    HZ   PHE  63           HZ       PHE  63  -9.333   7.320   4.181
  432    H    LEU  64           HN       LEU  64  -3.853   7.618   6.660
  433    HA   LEU  64           HA       LEU  64  -6.027   6.703   7.983
  434   1HB   LEU  64          2HB       LEU  64  -3.291   5.411   7.841
  435   2HB   LEU  64          3HB       LEU  64  -4.592   4.681   8.717
  436    HG   LEU  64           HG       LEU  64  -6.047   4.839   6.633
  437   1HD1  LEU  64          2HD1      LEU  64  -3.302   5.274   5.373
  438   2HD1  LEU  64          3HD1      LEU  64  -4.758   4.775   4.485
  439   3HD1  LEU  64          1HD1      LEU  64  -4.704   6.365   5.254
  440   1HD2  LEU  64          1HD2      LEU  64  -3.570   3.095   6.749
  441   2HD2  LEU  64          2HD2      LEU  64  -5.122   2.799   7.561
  442   3HD2  LEU  64          3HD2      LEU  64  -5.031   2.735   5.788
  443    H    ASP  65           HN       ASP  65  -6.689   6.235  10.015
  444    HA   ASP  65           HA       ASP  65  -5.168   7.507  12.238
  445   1HB   ASP  65          2HB       ASP  65  -8.012   6.572  11.907
  446   2HB   ASP  65          3HB       ASP  65  -7.320   6.650  13.520
  447    H    ASP  66           HN       ASP  66  -5.262   6.324  14.286
  448    HA   ASP  66           HA       ASP  66  -3.478   4.097  14.183
  449   1HB   ASP  66          2HB       ASP  66  -5.171   5.361  16.387
  450   2HB   ASP  66          3HB       ASP  66  -4.289   3.857  16.660
  451    H    GLU  67           HN       GLU  67  -6.986   4.382  14.669
  452    HA   GLU  67           HA       GLU  67  -7.623   1.761  15.262
  453   1HB   GLU  67          2HB       GLU  67  -9.468   3.237  13.364
  454   2HB   GLU  67          3HB       GLU  67  -9.800   2.354  14.850
  455   1HG   GLU  67          2HG       GLU  67  -8.640   4.336  16.033
  456   2HG   GLU  67          3HG       GLU  67  -8.827   5.177  14.476
  457    H    GLN  68           HN       GLN  68  -7.748   3.256  11.982
  458    HA   GLN  68           HA       GLN  68  -8.151   0.952  10.526
  459   1HB   GLN  68          2HB       GLN  68  -6.623   3.459   9.778
  460   2HB   GLN  68          3HB       GLN  68  -7.220   2.261   8.629
  461   1HG   GLN  68          2HG       GLN  68  -9.488   2.599   9.161
  462   2HG   GLN  68          3HG       GLN  68  -9.125   3.591  10.571
  463   1HE2  GLN  68          2HNE      GLN  68 -10.059   5.683   7.637
  464   2HE2  GLN  68          1HNE      GLN  68 -10.798   4.281   8.372
  465    H    MET  69           HN       MET  69  -4.914   2.462  11.323
  466    HA   MET  69           HA       MET  69  -3.349   0.498  10.059
  467   1HB   MET  69          2HB       MET  69  -2.769   2.018  12.628
  468   2HB   MET  69          3HB       MET  69  -1.612   1.116  11.649
  469   1HG   MET  69          2HG       MET  69  -2.184   2.683   9.702
  470   2HG   MET  69          3HG       MET  69  -3.123   3.597  10.807
  471   1HE   MET  69           HE1      MET  69  -1.331   5.310   9.447
  472   2HE   MET  69           HE2      MET  69  -1.987   5.864  11.011
  473   3HE   MET  69           HE3      MET  69  -0.264   6.093  10.645
  474    H    ASP  70           HN       ASP  70  -4.384   0.505  13.498
  475    HA   ASP  70           HA       ASP  70  -3.264  -1.974  14.259
  476   1HB   ASP  70          2HB       ASP  70  -4.151  -0.215  15.816
  477   2HB   ASP  70          3HB       ASP  70  -5.787  -0.581  15.274
  478    H    ALA  71           HN       ALA  71  -6.372  -1.101  12.911
  479    HA   ALA  71           HA       ALA  71  -7.743  -3.587  13.123
  480   1HB   ALA  71          2HB       ALA  71  -8.044  -1.246  11.221
  481   2HB   ALA  71          3HB       ALA  71  -9.240  -2.554  11.378
  482   3HB   ALA  71          1HB       ALA  71  -8.903  -1.472  12.751
  483    H    GLY  72           HN       GLY  72  -5.229  -2.544  10.901
  484   1HA   GLY  72          2HA       GLY  72  -4.014  -4.334   9.849
  485   2HA   GLY  72          3HA       GLY  72  -5.516  -5.107   9.396
  486    H    TYR  73           HN       TYR  73  -5.163  -1.556   9.177
  487    HA   TYR  73           HA       TYR  73  -5.089  -1.834   6.214
  488   1HB   TYR  73          2HB       TYR  73  -6.221   0.373   7.902
  489   2HB   TYR  73          3HB       TYR  73  -6.087   0.359   6.154
  490    HD1  TYR  73           HD2      TYR  73  -7.132  -1.515   4.800
  491    HD2  TYR  73           HD1      TYR  73  -8.168  -0.709   8.902
  492    HE1  TYR  73           HE2      TYR  73  -9.401  -2.298   4.372
  493    HE2  TYR  73           HE1      TYR  73 -10.463  -1.495   8.474
  494    HH   TYR  73           HOH      TYR  73 -12.023  -1.680   6.131
  495    H    VAL  74           HN       VAL  74  -4.080   0.019   5.083
  496    HA   VAL  74           HA       VAL  74  -1.991   1.504   6.437
  497    HB   VAL  74           HB       VAL  74  -1.028  -0.749   6.169
  498   1HG1  VAL  74          1HG1      VAL  74  -2.207  -1.484   4.088
  499   2HG1  VAL  74          2HG1      VAL  74  -1.270  -0.296   3.155
  500   3HG1  VAL  74          3HG1      VAL  74  -0.453  -1.645   3.956
  501   1HG2  VAL  74          3HG2      VAL  74   0.374   1.332   4.531
  502   2HG2  VAL  74          1HG2      VAL  74   0.484   0.983   6.278
  503   3HG2  VAL  74          2HG2      VAL  74   1.012  -0.219   5.153
  504    H    LEU  75           HN       LEU  75  -1.120   3.113   4.878
  505    HA   LEU  75           HA       LEU  75  -2.912   3.846   2.737
  506   1HB   LEU  75          2HB       LEU  75  -1.284   5.218   4.152
  507   2HB   LEU  75          3HB       LEU  75  -0.013   4.666   3.053
  508    HG   LEU  75           HG       LEU  75  -1.668   5.566   1.207
  509   1HD1  LEU  75          3HD1      LEU  75  -2.623   6.998   3.761
  510   2HD1  LEU  75          1HD1      LEU  75  -2.974   7.597   2.149
  511   3HD1  LEU  75          2HD1      LEU  75  -3.627   6.030   2.653
  512   1HD2  LEU  75          2HD2      LEU  75   0.556   6.623   1.938
  513   2HD2  LEU  75          3HD2      LEU  75  -0.636   7.691   1.167
  514   3HD2  LEU  75          1HD2      LEU  75  -0.423   7.722   2.921
  515    H    THR  76           HN       THR  76  -2.844   3.003   0.612
  516    HA   THR  76           HA       THR  76  -1.092   0.719   0.104
  517    HB   THR  76           HB       THR  76  -3.402   0.867  -0.761
  518    HG1  THR  76           HG1      THR  76  -1.334   0.558  -2.645
  519   1HG2  THR  76          2HG2      THR  76  -3.356   3.303  -1.493
  520   2HG2  THR  76          3HG2      THR  76  -2.357   2.790  -2.867
  521   3HG2  THR  76          1HG2      THR  76  -3.999   2.162  -2.686
  522    H    CYS  77           HN       CYS  77  -1.344   4.116  -0.824
  523    HA   CYS  77           HA       CYS  77   1.113   4.240  -2.325
  524   1HB   CYS  77          2HB       CYS  77  -0.621   6.385  -1.095
  525   2HB   CYS  77          3HB       CYS  77   0.479   6.603  -2.459
  526    H    HIS  78           HN       HIS  78   2.424   6.315  -1.530
  527    HA   HIS  78           HA       HIS  78   4.227   6.732  -0.172
  528   1HB   HIS  78          2HB       HIS  78   1.835   8.142   0.306
  529   2HB   HIS  78          3HB       HIS  78   2.550   7.945   1.896
  530    HD1  HIS  78           HND      HIS  78   3.737  10.249   2.336
  531    HD2  HIS  78           HD       HIS  78   4.289   8.697  -1.550
  532    HE1  HIS  78           HE       HIS  78   5.311  11.824   1.136
  533    H    ALA  79           HN       ALA  79   4.231   4.219   0.147
  534    HA   ALA  79           HA       ALA  79   4.674   3.694   3.036
  535   1HB   ALA  79          1HB       ALA  79   3.140   1.983   1.029
  536   2HB   ALA  79          2HB       ALA  79   3.672   1.467   2.645
  537   3HB   ALA  79          3HB       ALA  79   2.476   2.768   2.479
  538    H    TYR  80           HN       TYR  80   6.621   2.737   3.341
  539    HA   TYR  80           HA       TYR  80   8.160   1.705   1.008
  540   1HB   TYR  80          2HB       TYR  80   8.869   2.848   3.726
  541   2HB   TYR  80          3HB       TYR  80  10.018   1.917   2.796
  542    HD1  TYR  80           HD1      TYR  80   8.343   3.633   0.222
  543    HD2  TYR  80           HD2      TYR  80  11.279   4.139   3.327
  544    HE1  TYR  80           HE1      TYR  80   9.269   5.549  -0.939
  545    HE2  TYR  80           HE2      TYR  80  11.873   6.337   2.399
  546    HH   TYR  80           HOH      TYR  80  11.543   7.811   0.624
  547    HA   PRO  81           HA       PRO  81   7.555  -2.316   2.856
  548   1HB   PRO  81          2HB       PRO  81   8.858  -3.751   0.839
  549   2HB   PRO  81          3HB       PRO  81   7.143  -3.257   0.841
  550   1HG   PRO  81          2HG       PRO  81   9.415  -2.137  -0.719
  551   2HG   PRO  81          3HG       PRO  81   7.662  -2.018  -0.994
  552   1HD   PRO  81          2HD       PRO  81   9.261   0.012   0.025
  553   2HD   PRO  81          3HD       PRO  81   7.494  -0.055  -0.034
  554    H    THR  82           HN       THR  82   8.749  -2.497   4.743
  555    HA   THR  82           HA       THR  82  11.653  -2.175   4.608
  556    HB   THR  82           HB       THR  82  11.450  -2.362   7.062
  557    HG1  THR  82           HG1      THR  82   9.354  -2.547   7.932
  558   1HG2  THR  82          3HG2      THR  82  11.062  -0.152   5.913
  559   2HG2  THR  82          1HG2      THR  82   9.323  -0.483   5.935
  560   3HG2  THR  82          2HG2      THR  82  10.212  -0.304   7.458
  561    H    SER  83           HN       SER  83   9.391  -4.778   4.405
  562    HA   SER  83           HA       SER  83  11.506  -6.686   4.225
  563   1HB   SER  83          2HB       SER  83   9.411  -6.933   6.437
  564   2HB   SER  83          3HB       SER  83  10.412  -8.290   5.897
  565    HG   SER  83           HOG      SER  83  11.840  -6.000   6.485
  566    H    ASP  84           HN       ASP  84  10.157  -9.005   3.893
  567    HA   ASP  84           HA       ASP  84   8.534  -8.630   1.572
  568   1HB   ASP  84          2HB       ASP  84   8.065 -11.070   1.957
  569   2HB   ASP  84          3HB       ASP  84   9.791 -10.675   1.858
  570    H    VAL  85           HN       VAL  85   6.367  -8.555   1.426
  571    HA   VAL  85           HA       VAL  85   4.694  -8.495   3.843
  572    HB   VAL  85           HB       VAL  85   5.813  -6.451   4.137
  573   1HG1  VAL  85          1HG1      VAL  85   6.544  -6.231   1.629
  574   2HG1  VAL  85          2HG1      VAL  85   5.057  -5.279   1.464
  575   3HG1  VAL  85          3HG1      VAL  85   6.319  -4.805   2.611
  576   1HG2  VAL  85          2HG2      VAL  85   3.292  -6.432   4.367
  577   2HG2  VAL  85          3HG2      VAL  85   4.108  -4.892   4.312
  578   3HG2  VAL  85          1HG2      VAL  85   3.235  -5.493   2.876
  579    H    VAL  86           HN       VAL  86   2.492  -8.327   3.570
  580    HA   VAL  86           HA       VAL  86   1.559  -8.827   0.772
  581    HB   VAL  86           HB       VAL  86   0.726 -10.315   3.294
  582   1HG1  VAL  86          3HG1      VAL  86  -1.010 -10.007   1.370
  583   2HG1  VAL  86          1HG1      VAL  86   0.085 -11.002   0.421
  584   3HG1  VAL  86          2HG1      VAL  86  -0.646 -11.672   1.875
  585   1HG2  VAL  86          2HG2      VAL  86   2.466 -11.219   0.952
  586   2HG2  VAL  86          3HG2      VAL  86   2.967 -11.087   2.649
  587   3HG2  VAL  86          1HG2      VAL  86   1.778 -12.307   2.174
  588    H    ILE  87           HN       ILE  87   0.062  -7.304   0.273
  589    HA   ILE  87           HA       ILE  87  -1.741  -6.380   2.389
  590    HB   ILE  87           HB       ILE  87  -0.123  -4.744   2.466
  591   1HG1  ILE  87          2HG1      ILE  87  -2.539  -3.878   1.952
  592   2HG1  ILE  87          3HG1      ILE  87  -1.172  -2.764   2.005
  593   1HG2  ILE  87          3HG2      ILE  87   0.163  -4.738  -0.490
  594   2HG2  ILE  87          1HG2      ILE  87   0.852  -3.515   0.602
  595   3HG2  ILE  87          2HG2      ILE  87   1.372  -5.206   0.724
  596   1HD1  ILE  87           HD2      ILE  87  -1.962  -4.071  -0.581
  597   2HD1  ILE  87           HD3      ILE  87  -2.695  -2.566  -0.053
  598   3HD1  ILE  87           HD1      ILE  87  -0.959  -2.633  -0.309
  599    H    GLU  88           HN       GLU  88  -3.769  -5.677   1.599
  600    HA   GLU  88           HA       GLU  88  -4.438  -6.491  -1.200
  601   1HB   GLU  88          2HB       GLU  88  -6.324  -5.565   0.928
  602   2HB   GLU  88          3HB       GLU  88  -6.720  -6.478  -0.541
  603   1HG   GLU  88          2HG       GLU  88  -5.782  -8.486   0.484
  604   2HG   GLU  88          3HG       GLU  88  -5.233  -7.547   1.881
  605    H    THR  89           HN       THR  89  -4.851  -4.878  -2.707
  606    HA   THR  89           HA       THR  89  -4.611  -2.042  -1.750
  607    HB   THR  89           HB       THR  89  -4.136  -1.410  -4.047
  608    HG1  THR  89           HG1      THR  89  -4.865  -4.063  -4.715
  609   1HG2  THR  89          1HG2      THR  89  -2.705  -4.017  -3.423
  610   2HG2  THR  89          2HG2      THR  89  -2.231  -2.768  -4.587
  611   3HG2  THR  89          3HG2      THR  89  -2.261  -2.394  -2.853
  612    H    HIS  90           HN       HIS  90  -6.177  -0.506  -3.124
  613    HA   HIS  90           HA       HIS  90  -8.269   0.219  -3.615
  614   1HB   HIS  90          2HB       HIS  90  -9.028  -2.699  -4.098
  615   2HB   HIS  90          3HB       HIS  90  -9.937  -1.273  -4.573
  616    HD1  HIS  90           HND      HIS  90  -6.161  -1.869  -5.266
  617    HD2  HIS  90           HD       HIS  90  -9.895  -1.493  -7.166
  618    HE1  HIS  90           HE       HIS  90  -5.699  -2.008  -7.722
  619    H    LYS  91           HN       LYS  91  -7.767   0.258  -0.976
  620    HA   LYS  91           HA       LYS  91 -10.323  -0.719   0.271
  621   1HB   LYS  91          2HB       LYS  91  -7.628  -0.377   1.588
  622   2HB   LYS  91          3HB       LYS  91  -9.070  -1.066   2.305
  623   1HG   LYS  91          2HG       LYS  91  -7.635  -2.268  -0.119
  624   2HG   LYS  91          3HG       LYS  91  -7.488  -2.828   1.540
  625   1HD   LYS  91          2HD       LYS  91  -9.643  -3.478   1.738
  626   2HD   LYS  91          3HD       LYS  91 -10.189  -2.709   0.271
  627   1HE   LYS  91          2HE       LYS  91  -9.390  -4.172  -1.202
  628   2HE   LYS  91          3HE       LYS  91  -8.097  -4.734  -0.144
  629   1HZ   LYS  91          2HNZ      LYS  91 -10.886  -5.225   0.589
  630   2HZ   LYS  91          3HNZ      LYS  91 -10.130  -6.230  -0.494
  631   3HZ   LYS  91          1HNZ      LYS  91  -9.506  -6.084   1.006
  632    H    GLU  92           HN       GLU  92  -9.579   1.916  -1.061
  633    HA   GLU  92           HA       GLU  92  -9.574   4.026   0.766
  634   1HB   GLU  92          2HB       GLU  92  -9.511   4.159  -1.761
  635   2HB   GLU  92          3HB       GLU  92 -11.210   3.774  -1.836
  636   1HG   GLU  92          2HG       GLU  92 -10.566   6.047  -0.012
  637   2HG   GLU  92          3HG       GLU  92 -10.195   6.311  -1.734
  638    H    GLU  93           HN       GLU  93 -12.540   2.698  -0.751
  639    HA   GLU  93           HA       GLU  93 -14.119   3.698   1.386
  640   1HB   GLU  93          2HB       GLU  93 -16.010   2.835   0.011
  641   2HB   GLU  93          3HB       GLU  93 -14.853   3.776  -0.931
  642   1HG   GLU  93          2HG       GLU  93 -13.829   1.590  -1.750
  643   2HG   GLU  93          3HG       GLU  93 -15.118   0.739  -0.888
  644    H    GLU  94           HN       GLU  94 -12.158   1.477   2.097
  645    HA   GLU  94           HA       GLU  94 -14.090  -0.294   3.521
  646   1HB   GLU  94          2HB       GLU  94 -11.293  -0.923   2.494
  647   2HB   GLU  94          3HB       GLU  94 -12.102  -1.798   3.783
  648   1HG   GLU  94          2HG       GLU  94 -14.040  -2.092   1.990
  649   2HG   GLU  94          3HG       GLU  94 -12.716  -1.830   0.853
  650    H    ILE  95           HN       ILE  95 -11.400   2.078   3.715
  651    HA   ILE  95           HA       ILE  95 -11.037   1.419   6.522
  652    HB   ILE  95           HB       ILE  95  -9.312   3.070   6.532
  653   1HG1  ILE  95          2HG1      ILE  95  -9.594   3.373   3.534
  654   2HG1  ILE  95          3HG1      ILE  95 -10.353   4.502   4.679
  655   1HG2  ILE  95          2HG2      ILE  95  -8.945   0.780   6.003
  656   2HG2  ILE  95          3HG2      ILE  95  -9.047   1.052   4.258
  657   3HG2  ILE  95          1HG2      ILE  95  -7.732   1.780   5.211
  658   1HD1  ILE  95           HD1      ILE  95  -7.425   3.943   4.909
  659   2HD1  ILE  95           HD2      ILE  95  -8.116   5.131   3.783
  660   3HD1  ILE  95           HD3      ILE  95  -8.390   5.287   5.541
  661    H    VAL  96           HN       VAL  96 -12.548   3.989   4.611
  662    HA   VAL  96           HA       VAL  96 -13.014   5.596   7.025
  663    HB   VAL  96           HB       VAL  96 -14.087   7.169   5.540
  664   1HG1  VAL  96          2HG1      VAL  96 -11.536   7.100   5.796
  665   2HG1  VAL  96          3HG1      VAL  96 -11.494   6.304   4.209
  666   3HG1  VAL  96          1HG1      VAL  96 -12.149   7.930   4.359
  667   1HG2  VAL  96          3HG2      VAL  96 -15.127   5.632   3.904
  668   2HG2  VAL  96          1HG2      VAL  96 -14.140   6.861   3.098
  669   3HG2  VAL  96          2HG2      VAL  96 -13.528   5.210   3.266
   
  No H/Q in entry =         668
  Start of MODEL    9
    1   1H    ALA   1          1HN       ALA   1  14.537  -3.546   1.018
    2   2H    ALA   1          2HN       ALA   1  15.849  -3.117   1.834
    3   2H    ALA   1          3HN       ALA   1  15.849  -3.117   1.834
    4    HA   ALA   1           HA       ALA   1  16.463  -3.275  -0.364
    5   1HB   ALA   1          1HB       ALA   1  18.039  -4.152   1.196
    6   2HB   ALA   1          2HB       ALA   1  17.300  -5.776   1.082
    7   3HB   ALA   1          3HB       ALA   1  18.090  -5.049  -0.352
    8    H    THR   2           HN       THR   2  14.488  -3.361  -1.454
    9    HA   THR   2           HA       THR   2  13.002  -4.204  -2.986
   10    HB   THR   2           HB       THR   2  15.561  -5.668  -3.655
   11    HG1  THR   2           HG1      THR   2  14.605  -3.062  -4.334
   12   1HG2  THR   2          1HG2      THR   2  13.222  -4.758  -5.400
   13   2HG2  THR   2          2HG2      THR   2  14.822  -5.221  -6.016
   14   3HG2  THR   2          3HG2      THR   2  13.827  -6.417  -5.178
   15    H    TYR   3           HN       TYR   3  11.565  -5.126  -1.532
   16    HA   TYR   3           HA       TYR   3  11.773  -8.053  -1.077
   17   1HB   TYR   3          2HB       TYR   3   9.910  -5.982   0.120
   18   2HB   TYR   3          3HB       TYR   3  10.087  -7.653   0.630
   19    HD1  TYR   3           HD1      TYR   3  12.638  -8.363   1.225
   20    HD2  TYR   3           HD2      TYR   3  11.145  -4.318   1.200
   21    HE1  TYR   3           HE1      TYR   3  14.333  -7.721   2.918
   22    HE2  TYR   3           HE2      TYR   3  12.768  -3.713   2.952
   23    HH   TYR   3           HOH      TYR   3  13.795  -4.936   4.848
   24    H    ASN   4           HN       ASN   4   9.783  -9.297  -1.032
   25    HA   ASN   4           HA       ASN   4   8.467  -9.215  -3.637
   26   1HB   ASN   4          2HB       ASN   4   9.618 -11.160  -2.612
   27   2HB   ASN   4          3HB       ASN   4   8.448 -11.213  -1.312
   28   1HD2  ASN   4          2HND      ASN   4   5.825 -12.457  -3.473
   29   2HD2  ASN   4          1HND      ASN   4   6.132 -11.261  -2.208
   30    H    VAL   5           HN       VAL   5   6.944  -7.435  -3.340
   31    HA   VAL   5           HA       VAL   5   5.250  -7.515  -0.895
   32    HB   VAL   5           HB       VAL   5   5.589  -5.375  -3.020
   33   1HG1  VAL   5          2HG1      VAL   5   3.654  -5.660  -0.713
   34   2HG1  VAL   5          3HG1      VAL   5   4.347  -4.067  -1.055
   35   3HG1  VAL   5          1HG1      VAL   5   3.439  -4.936  -2.295
   36   1HG2  VAL   5          2HG2      VAL   5   6.700  -5.823  -0.230
   37   2HG2  VAL   5          3HG2      VAL   5   7.565  -5.487  -1.727
   38   3HG2  VAL   5          1HG2      VAL   5   6.602  -4.212  -0.960
   39    H    LYS   6           HN       LYS   6   3.664  -9.146  -1.176
   40    HA   LYS   6           HA       LYS   6   2.273  -9.351  -3.690
   41   1HB   LYS   6          2HB       LYS   6   2.436 -11.228  -2.154
   42   2HB   LYS   6          3HB       LYS   6   1.356 -10.374  -1.027
   43   1HG   LYS   6          2HG       LYS   6  -0.331 -10.146  -2.955
   44   2HG   LYS   6          3HG       LYS   6   0.756 -11.133  -3.936
   45   1HD   LYS   6          2HD       LYS   6  -0.726 -11.927  -1.387
   46   2HD   LYS   6          3HD       LYS   6  -1.096 -12.330  -3.050
   47   1HE   LYS   6          2HE       LYS   6   1.342 -13.309  -3.131
   48   2HE   LYS   6          3HE       LYS   6   1.262 -13.260  -1.369
   49   1HZ   LYS   6          1HNZ      LYS   6  -0.727 -14.573  -3.154
   50   2HZ   LYS   6          2HNZ      LYS   6   0.482 -15.403  -2.394
   51   3HZ   LYS   6          3HNZ      LYS   6  -0.725 -14.677  -1.528
   52    H    LEU   7           HN       LEU   7   0.722  -8.166  -4.495
   53    HA   LEU   7           HA       LEU   7  -1.014  -6.534  -2.718
   54   1HB   LEU   7          2HB       LEU   7  -0.315  -6.347  -5.646
   55   2HB   LEU   7          3HB       LEU   7  -1.464  -5.290  -4.866
   56    HG   LEU   7           HG       LEU   7   1.546  -5.479  -4.549
   57   1HD1  LEU   7          1HD1      LEU   7   0.554  -4.346  -6.484
   58   2HD1  LEU   7          2HD1      LEU   7  -0.302  -3.226  -5.422
   59   3HD1  LEU   7          3HD1      LEU   7   1.474  -3.203  -5.470
   60   1HD2  LEU   7          2HD2      LEU   7  -0.382  -3.908  -2.806
   61   2HD2  LEU   7          3HD2      LEU   7   0.923  -5.031  -2.339
   62   3HD2  LEU   7          1HD2      LEU   7   1.321  -3.452  -3.019
   63    H    ILE   8           HN       ILE   8  -2.711  -7.782  -2.181
   64    HA   ILE   8           HA       ILE   8  -3.907  -9.659  -4.101
   65    HB   ILE   8           HB       ILE   8  -4.567  -8.791  -1.301
   66   1HG1  ILE   8          2HG1      ILE   8  -3.819 -11.559  -2.144
   67   2HG1  ILE   8          3HG1      ILE   8  -2.560 -10.348  -1.857
   68   1HG2  ILE   8          3HG2      ILE   8  -5.988 -10.806  -3.091
   69   2HG2  ILE   8          1HG2      ILE   8  -6.280 -10.619  -1.351
   70   3HG2  ILE   8          2HG2      ILE   8  -6.683  -9.303  -2.450
   71   1HD1  ILE   8           HD1      ILE   8  -4.659 -11.148   0.186
   72   2HD1  ILE   8           HD2      ILE   8  -2.970 -11.682   0.146
   73   3HD1  ILE   8           HD3      ILE   8  -3.345  -9.964   0.395
   74    H    THR   9           HN       THR   9  -4.316  -8.285  -5.845
   75    HA   THR   9           HA       THR   9  -6.043  -5.977  -5.504
   76    HB   THR   9           HB       THR   9  -5.852  -5.927  -7.957
   77    HG1  THR   9           HG1      THR   9  -5.457  -8.263  -8.236
   78   1HG2  THR   9          1HG2      THR   9  -3.184  -6.302  -6.502
   79   2HG2  THR   9          2HG2      THR   9  -3.379  -5.541  -8.086
   80   3HG2  THR   9          3HG2      THR   9  -4.098  -4.771  -6.660
   81    HA   PRO  10           HA       PRO  10  -9.905  -8.094  -6.007
   82   1HB   PRO  10          2HB       PRO  10 -10.529  -6.280  -8.297
   83   2HB   PRO  10          3HB       PRO  10 -11.479  -6.642  -6.817
   84   1HG   PRO  10          2HG       PRO  10 -10.149  -4.360  -7.077
   85   2HG   PRO  10          3HG       PRO  10 -10.162  -5.203  -5.511
   86   1HD   PRO  10          2HD       PRO  10  -7.985  -5.084  -7.470
   87   2HD   PRO  10          3HD       PRO  10  -7.930  -5.109  -5.730
   88    H    ASP  11           HN       ASP  11  -8.166  -7.362  -8.997
   89    HA   ASP  11           HA       ASP  11  -9.109  -9.066 -10.943
   90   1HB   ASP  11          2HB       ASP  11  -6.348  -8.014 -10.159
   91   2HB   ASP  11          3HB       ASP  11  -6.575  -9.015 -11.575
   92    H    GLY  12           HN       GLY  12  -7.096  -9.702  -8.164
   93   1HA   GLY  12          2HA       GLY  12  -7.220 -11.712  -7.116
   94   2HA   GLY  12          3HA       GLY  12  -7.133 -12.647  -8.636
   95    H    GLU  13           HN       GLU  13  -5.367 -10.199  -6.787
   96    HA   GLU  13           HA       GLU  13  -3.248  -9.939  -6.066
   97   1HB   GLU  13          2HB       GLU  13  -2.871 -12.749  -7.015
   98   2HB   GLU  13          3HB       GLU  13  -1.696 -11.843  -6.075
   99   1HG   GLU  13          2HG       GLU  13  -3.031 -11.795  -4.164
  100   2HG   GLU  13          3HG       GLU  13  -4.490 -12.338  -5.012
  101    H    VAL  14           HN       VAL  14  -1.056  -9.617  -6.709
  102    HA   VAL  14           HA       VAL  14  -0.396 -10.108  -9.535
  103    HB   VAL  14           HB       VAL  14  -1.409  -7.971  -9.599
  104   1HG1  VAL  14          3HG1      VAL  14  -1.146  -7.130  -7.413
  105   2HG1  VAL  14          1HG1      VAL  14   0.603  -6.817  -7.690
  106   3HG1  VAL  14          2HG1      VAL  14  -0.632  -5.957  -8.621
  107   1HG2  VAL  14          3HG2      VAL  14   0.627  -8.504 -11.036
  108   2HG2  VAL  14          1HG2      VAL  14   0.266  -6.783 -10.824
  109   3HG2  VAL  14          2HG2      VAL  14   1.581  -7.528  -9.888
  110    H    GLU  15           HN       GLU  15   0.926  -8.514  -6.671
  111    HA   GLU  15           HA       GLU  15   2.868  -8.718  -5.560
  112   1HB   GLU  15          2HB       GLU  15   2.401 -11.279  -5.873
  113   2HB   GLU  15          3HB       GLU  15   3.681 -11.210  -7.090
  114   1HG   GLU  15          2HG       GLU  15   4.090 -10.394  -4.200
  115   2HG   GLU  15          3HG       GLU  15   4.392 -12.001  -4.869
  116    H    PHE  16           HN       PHE  16   5.107  -8.107  -5.744
  117    HA   PHE  16           HA       PHE  16   6.397  -7.790  -8.177
  118   1HB   PHE  16          2HB       PHE  16   6.135  -5.680  -8.893
  119   2HB   PHE  16          3HB       PHE  16   4.502  -6.172  -8.651
  120    HD1  PHE  16           HD1      PHE  16   3.696  -5.689  -6.046
  121    HD2  PHE  16           HD2      PHE  16   7.005  -3.739  -7.986
  122    HE1  PHE  16           HE1      PHE  16   3.630  -3.911  -4.392
  123    HE2  PHE  16           HE2      PHE  16   6.905  -1.946  -6.365
  124    HZ   PHE  16           HZ       PHE  16   5.105  -1.885  -4.640
  125    H    LYS  17           HN       LYS  17   8.337  -6.342  -7.986
  126    HA   LYS  17           HA       LYS  17   9.319  -6.771  -5.236
  127   1HB   LYS  17          2HB       LYS  17  10.503  -7.073  -7.822
  128   2HB   LYS  17          3HB       LYS  17  11.366  -5.793  -6.983
  129   1HG   LYS  17          2HG       LYS  17  12.439  -7.906  -6.423
  130   2HG   LYS  17          3HG       LYS  17  11.644  -7.207  -5.011
  131   1HD   LYS  17          2HD       LYS  17  10.856  -9.287  -4.704
  132   2HD   LYS  17          3HD       LYS  17   9.599  -8.756  -5.834
  133   1HE   LYS  17          2HE       LYS  17  12.115 -10.264  -6.670
  134   2HE   LYS  17          3HE       LYS  17  10.572 -11.035  -6.274
  135   1HZ   LYS  17          2HNZ      LYS  17  10.910  -9.037  -8.405
  136   2HZ   LYS  17          3HNZ      LYS  17  10.794 -10.666  -8.630
  137   3HZ   LYS  17          1HNZ      LYS  17   9.519  -9.827  -8.015
  138    H    CYS  18           HN       CYS  18   9.370  -5.216  -3.825
  139    HA   CYS  18           HA       CYS  18   9.333  -2.367  -4.819
  140   1HB   CYS  18          2HB       CYS  18   7.191  -3.213  -3.825
  141   2HB   CYS  18          3HB       CYS  18   8.072  -3.240  -2.295
  142    HG   CYS  18           HSG      CYS  18   8.928  -0.708  -2.452
  143    H    ASP  19           HN       ASP  19  11.156  -1.384  -4.437
  144    HA   ASP  19           HA       ASP  19  13.099  -2.162  -2.502
  145   1HB   ASP  19          2HB       ASP  19  12.766   0.561  -3.789
  146   2HB   ASP  19          3HB       ASP  19  14.187  -0.080  -2.980
  147    H    ASP  20           HN       ASP  20  13.540  -1.364  -0.546
  148    HA   ASP  20           HA       ASP  20  11.460  -0.410   1.214
  149   1HB   ASP  20          2HB       ASP  20  13.622   0.043   2.700
  150   2HB   ASP  20          3HB       ASP  20  13.013  -1.564   2.406
  151    H    ASP  21           HN       ASP  21  13.828   1.068  -0.832
  152    HA   ASP  21           HA       ASP  21  13.423   3.759   0.290
  153   1HB   ASP  21          2HB       ASP  21  15.117   2.685  -2.008
  154   2HB   ASP  21          3HB       ASP  21  15.036   4.382  -1.534
  155    H    VAL  22           HN       VAL  22  11.543   1.873  -1.840
  156    HA   VAL  22           HA       VAL  22  10.671   4.339  -3.274
  157    HB   VAL  22           HB       VAL  22  11.912   2.587  -4.698
  158   1HG1  VAL  22          1HG1      VAL  22  10.485   0.631  -3.759
  159   2HG1  VAL  22          2HG1      VAL  22   9.176   1.239  -4.765
  160   3HG1  VAL  22          3HG1      VAL  22  10.702   0.713  -5.505
  161   1HG2  VAL  22          3HG2      VAL  22  10.574   4.484  -5.569
  162   2HG2  VAL  22          1HG2      VAL  22  10.444   3.037  -6.585
  163   3HG2  VAL  22          2HG2      VAL  22   9.115   3.466  -5.488
  164    H    TYR  23           HN       TYR  23   8.449   4.572  -3.630
  165    HA   TYR  23           HA       TYR  23   6.925   3.507  -1.455
  166   1HB   TYR  23          2HB       TYR  23   6.034   5.080  -3.890
  167   2HB   TYR  23          3HB       TYR  23   5.064   4.709  -2.469
  168    HD1  TYR  23           HD1      TYR  23   6.573   5.321  -0.132
  169    HD2  TYR  23           HD2      TYR  23   6.605   7.362  -3.937
  170    HE1  TYR  23           HE1      TYR  23   6.945   7.475   1.019
  171    HE2  TYR  23           HE2      TYR  23   7.154   9.476  -2.788
  172    HH   TYR  23           HOH      TYR  23   7.664  10.474  -0.747
  173    H    VAL  24           HN       VAL  24   5.126   2.102  -1.517
  174    HA   VAL  24           HA       VAL  24   5.187   0.063  -3.573
  175    HB   VAL  24           HB       VAL  24   2.932   0.408  -1.567
  176   1HG1  VAL  24          3HG1      VAL  24   2.938  -1.489  -3.338
  177   2HG1  VAL  24          1HG1      VAL  24   4.384  -2.101  -2.501
  178   3HG1  VAL  24          2HG1      VAL  24   2.835  -2.013  -1.644
  179   1HG2  VAL  24          3HG2      VAL  24   5.692  -0.659  -0.997
  180   2HG2  VAL  24          1HG2      VAL  24   4.802   0.609  -0.119
  181   3HG2  VAL  24          2HG2      VAL  24   4.267  -1.062  -0.006
  182    H    LEU  25           HN       LEU  25   4.858   2.031  -5.085
  183    HA   LEU  25           HA       LEU  25   2.394   1.559  -6.476
  184   1HB   LEU  25          2HB       LEU  25   1.431   3.098  -4.991
  185   2HB   LEU  25          3HB       LEU  25   2.728   4.297  -5.193
  186    HG   LEU  25           HG       LEU  25   0.894   3.330  -7.458
  187   1HD1  LEU  25          1HD1      LEU  25  -0.398   4.356  -5.559
  188   2HD1  LEU  25          2HD1      LEU  25   0.622   5.807  -5.728
  189   3HD1  LEU  25          3HD1      LEU  25  -0.456   5.305  -7.044
  190   1HD2  LEU  25          1HD2      LEU  25   2.693   5.773  -7.092
  191   2HD2  LEU  25          2HD2      LEU  25   2.773   4.597  -8.422
  192   3HD2  LEU  25          3HD2      LEU  25   1.388   5.655  -8.308
  193    H    ASP  26           HN       ASP  26   5.048   3.931  -5.991
  194    HA   ASP  26           HA       ASP  26   5.302   4.740  -8.647
  195   1HB   ASP  26          2HB       ASP  26   6.953   4.901  -6.213
  196   2HB   ASP  26          3HB       ASP  26   7.951   4.708  -7.654
  197    H    GLN  27           HN       GLN  27   7.214   2.113  -7.078
  198    HA   GLN  27           HA       GLN  27   8.283   1.202  -9.589
  199   1HB   GLN  27          2HB       GLN  27   9.430   1.078  -7.479
  200   2HB   GLN  27          3HB       GLN  27   8.222  -0.016  -6.790
  201   1HG   GLN  27          2HG       GLN  27   8.954  -1.805  -8.036
  202   2HG   GLN  27          3HG       GLN  27   9.569  -0.793  -9.353
  203   1HE2  GLN  27          2HNE      GLN  27  12.201  -1.904  -6.404
  204   2HE2  GLN  27          1HNE      GLN  27  10.582  -2.592  -6.632
  205    H    ALA  28           HN       ALA  28   5.269   0.697  -7.935
  206    HA   ALA  28           HA       ALA  28   4.577  -1.908  -8.988
  207   1HB   ALA  28          1HB       ALA  28   3.559  -0.392  -7.023
  208   2HB   ALA  28          2HB       ALA  28   2.466   0.091  -8.360
  209   3HB   ALA  28          3HB       ALA  28   2.630  -1.605  -7.875
  210    H    GLU  29           HN       GLU  29   3.716   1.472  -9.935
  211    HA   GLU  29           HA       GLU  29   2.285   0.961 -12.246
  212   1HB   GLU  29          2HB       GLU  29   4.196   3.256 -11.602
  213   2HB   GLU  29          3HB       GLU  29   3.255   3.166 -13.093
  214   1HG   GLU  29          2HG       GLU  29   1.152   3.038 -11.760
  215   2HG   GLU  29          3HG       GLU  29   2.102   3.290 -10.296
  216    H    GLU  30           HN       GLU  30   5.842   1.329 -11.825
  217    HA   GLU  30           HA       GLU  30   6.653   0.863 -14.458
  218   1HB   GLU  30          2HB       GLU  30   8.100   0.155 -11.905
  219   2HB   GLU  30          3HB       GLU  30   8.830   0.208 -13.507
  220   1HG   GLU  30          2HG       GLU  30   7.431   2.683 -12.408
  221   2HG   GLU  30          3HG       GLU  30   9.082   2.275 -11.948
  222    H    GLU  31           HN       GLU  31   5.766  -1.608 -12.060
  223    HA   GLU  31           HA       GLU  31   6.618  -3.750 -13.879
  224   1HB   GLU  31          2HB       GLU  31   4.849  -3.954 -11.426
  225   2HB   GLU  31          3HB       GLU  31   5.770  -5.243 -12.217
  226   1HG   GLU  31          2HG       GLU  31   7.540  -3.028 -11.603
  227   2HG   GLU  31          3HG       GLU  31   6.578  -3.352 -10.212
  228    H    GLY  32           HN       GLY  32   3.837  -1.837 -13.265
  229   1HA   GLY  32          2HA       GLY  32   2.292  -1.564 -15.167
  230   2HA   GLY  32          3HA       GLY  32   2.177  -3.324 -15.294
  231    H    ILE  33           HN       ILE  33   2.356  -2.185 -12.015
  232    HA   ILE  33           HA       ILE  33  -0.300  -3.229 -11.547
  233    HB   ILE  33           HB       ILE  33   1.657  -1.832  -9.761
  234   1HG1  ILE  33          2HG1      ILE  33   0.873  -4.726 -10.140
  235   2HG1  ILE  33          3HG1      ILE  33   2.351  -4.014 -10.820
  236   1HG2  ILE  33          3HG2      ILE  33  -0.729  -1.683  -8.871
  237   2HG2  ILE  33          1HG2      ILE  33  -0.812  -3.449  -8.956
  238   3HG2  ILE  33          2HG2      ILE  33   0.324  -2.622  -7.866
  239   1HD1  ILE  33           HD3      ILE  33   2.106  -3.832  -7.862
  240   2HD1  ILE  33           HD1      ILE  33   2.487  -5.382  -8.620
  241   3HD1  ILE  33           HD2      ILE  33   3.489  -3.941  -8.945
  242    H    ASP  34           HN       ASP  34  -1.994  -2.167 -12.184
  243    HA   ASP  34           HA       ASP  34  -2.325   0.737 -11.976
  244   1HB   ASP  34          2HB       ASP  34  -3.319  -0.699 -13.769
  245   2HB   ASP  34          3HB       ASP  34  -4.360  -1.449 -12.525
  246    H    ILE  35           HN       ILE  35  -1.657   0.518  -9.510
  247    HA   ILE  35           HA       ILE  35  -3.705  -0.491  -7.809
  248    HB   ILE  35           HB       ILE  35  -1.160   0.487  -7.481
  249   1HG1  ILE  35          2HG1      ILE  35  -2.816  -0.353  -5.171
  250   2HG1  ILE  35          3HG1      ILE  35  -2.069  -1.376  -6.412
  251   1HG2  ILE  35          1HG2      ILE  35  -1.980   2.813  -7.232
  252   2HG2  ILE  35          2HG2      ILE  35  -2.824   2.323  -5.746
  253   3HG2  ILE  35          3HG2      ILE  35  -1.066   2.213  -5.855
  254   1HD1  ILE  35           HD1      ILE  35   0.162  -0.550  -5.784
  255   2HD1  ILE  35           HD2      ILE  35  -0.546   0.526  -4.564
  256   3HD1  ILE  35           HD3      ILE  35  -0.675  -1.212  -4.370
  257    HA   PRO  36           HA       PRO  36  -6.709   2.702  -8.208
  258   1HB   PRO  36          2HB       PRO  36  -7.934   2.792  -5.741
  259   2HB   PRO  36          3HB       PRO  36  -8.047   1.432  -6.887
  260   1HG   PRO  36          2HG       PRO  36  -6.373   1.566  -4.393
  261   2HG   PRO  36          3HG       PRO  36  -7.215   0.218  -5.151
  262   1HD   PRO  36          2HD       PRO  36  -4.495   0.870  -5.397
  263   2HD   PRO  36          3HD       PRO  36  -5.323  -0.290  -6.418
  264    H    TYR  37           HN       TYR  37  -4.801   4.104  -8.507
  265    HA   TYR  37           HA       TYR  37  -3.919   5.946  -6.480
  266   1HB   TYR  37          2HB       TYR  37  -2.401   5.298  -8.166
  267   2HB   TYR  37          3HB       TYR  37  -3.566   5.521  -9.455
  268    HD1  TYR  37           HD1      TYR  37  -1.350   7.408  -7.102
  269    HD2  TYR  37           HD2      TYR  37  -3.974   7.607 -10.517
  270    HE1  TYR  37           HE1      TYR  37  -0.681   9.740  -7.496
  271    HE2  TYR  37           HE2      TYR  37  -3.485  10.019 -10.733
  272    HH   TYR  37           HOH      TYR  37  -2.845  11.733  -8.900
  273    H    SER  38           HN       SER  38  -4.054   8.259  -6.651
  274    HA   SER  38           HA       SER  38  -6.093   9.599  -8.250
  275   1HB   SER  38          2HB       SER  38  -7.581   8.881  -6.532
  276   2HB   SER  38          3HB       SER  38  -6.426   9.193  -5.242
  277    HG   SER  38           HOG      SER  38  -6.734  11.298  -5.367
  278    H    CYS  39           HN       CYS  39  -4.239   9.972  -5.263
  279    HA   CYS  39           HA       CYS  39  -3.024  12.521  -6.124
  280   1HB   CYS  39          2HB       CYS  39  -2.831  12.384  -3.371
  281   2HB   CYS  39          3HB       CYS  39  -4.012  13.264  -4.320
  282    H    ARG  40           HN       ARG  40  -0.930  12.984  -5.132
  283    HA   ARG  40           HA       ARG  40   0.687  10.782  -4.150
  284   1HB   ARG  40          2HB       ARG  40   0.769  11.348  -6.982
  285   2HB   ARG  40          3HB       ARG  40   2.256  11.966  -6.319
  286   1HG   ARG  40          2HG       ARG  40   2.406   9.662  -5.063
  287   2HG   ARG  40          3HG       ARG  40   1.274   9.118  -6.303
  288   1HD   ARG  40          2HD       ARG  40   4.011  10.437  -6.700
  289   2HD   ARG  40          3HD       ARG  40   3.709   8.736  -6.884
  290    HE   ARG  40           HNE      ARG  40   3.001  10.953  -8.722
  291   1HH1  ARG  40          2HN2      ARG  40   2.519   7.547  -8.010
  292   2HH1  ARG  40          1HN2      ARG  40   2.399   7.026  -9.669
  293   1HH2  ARG  40          2HN1      ARG  40   2.822  10.283 -10.994
  294   2HH2  ARG  40          1HN1      ARG  40   2.494   8.599 -11.329
  295    H    ALA  41           HN       ALA  41   0.293  12.397  -2.385
  296    HA   ALA  41           HA       ALA  41   2.699  13.976  -2.080
  297   1HB   ALA  41          3HB       ALA  41   1.381  15.629  -3.389
  298   2HB   ALA  41          1HB       ALA  41   0.060  15.502  -2.210
  299   3HB   ALA  41          2HB       ALA  41   1.634  16.172  -1.729
  300    H    GLY  42           HN       GLY  42   1.842  11.811  -0.724
  301   1HA   GLY  42          2HA       GLY  42   1.523  10.965   1.349
  302   2HA   GLY  42          3HA       GLY  42   1.838  12.561   2.015
  303    H    SER  43           HN       SER  43  -0.170  14.103   1.586
  304    HA   SER  43           HA       SER  43  -2.222  13.108   3.329
  305   1HB   SER  43          2HB       SER  43  -1.403  15.434   3.326
  306   2HB   SER  43          3HB       SER  43  -2.089  15.675   1.703
  307    HG   SER  43           HOG      SER  43  -4.138  15.174   2.614
  308    H    CYS  44           HN       CYS  44  -2.789  11.229   1.914
  309    HA   CYS  44           HA       CYS  44  -4.081  11.409  -0.492
  310   1HB   CYS  44          2HB       CYS  44  -3.306   9.370   0.731
  311   2HB   CYS  44          3HB       CYS  44  -4.762   9.480   1.713
  312    H    SER  45           HN       SER  45  -6.235  11.013  -1.061
  313    HA   SER  45           HA       SER  45  -8.388  12.256   0.569
  314   1HB   SER  45          2HB       SER  45  -7.337  13.143  -1.916
  315   2HB   SER  45          3HB       SER  45  -8.820  12.284  -2.345
  316    HG   SER  45           HOG      SER  45  -8.580  14.308  -0.356
  317    H    SER  46           HN       SER  46  -7.364   9.603  -1.607
  318    HA   SER  46           HA       SER  46  -9.603   7.977  -0.800
  319   1HB   SER  46          2HB       SER  46  -9.435   8.890  -3.694
  320   2HB   SER  46          3HB       SER  46 -10.519   7.646  -3.061
  321    HG   SER  46           HOG      SER  46 -10.926   9.703  -1.526
  322    H    CYS  47           HN       CYS  47  -7.906   6.478  -0.157
  323    HA   CYS  47           HA       CYS  47  -7.451   4.445  -1.857
  324   1HB   CYS  47          2HB       CYS  47  -5.321   4.267  -2.595
  325   2HB   CYS  47          3HB       CYS  47  -5.690   5.921  -2.940
  326    H    ALA  48           HN       ALA  48  -5.994   2.774  -0.977
  327    HA   ALA  48           HA       ALA  48  -4.459   2.594   1.156
  328   1HB   ALA  48          2HB       ALA  48  -7.311   2.554   2.205
  329   2HB   ALA  48          3HB       ALA  48  -5.977   1.749   3.056
  330   3HB   ALA  48          1HB       ALA  48  -5.898   3.481   2.788
  331    H    GLY  49           HN       GLY  49  -4.388   0.432   2.182
  332   1HA   GLY  49          2HA       GLY  49  -5.771  -1.711   0.747
  333   2HA   GLY  49          3HA       GLY  49  -3.999  -1.755   0.866
  334    H    LYS  50           HN       LYS  50  -5.472  -3.811   1.979
  335    HA   LYS  50           HA       LYS  50  -5.395  -3.364   4.865
  336   1HB   LYS  50          2HB       LYS  50  -7.282  -4.422   3.345
  337   2HB   LYS  50          3HB       LYS  50  -6.383  -5.913   3.554
  338   1HG   LYS  50          2HG       LYS  50  -6.746  -5.933   5.918
  339   2HG   LYS  50          3HG       LYS  50  -7.085  -4.196   5.953
  340   1HD   LYS  50          2HD       LYS  50  -9.055  -4.659   4.407
  341   2HD   LYS  50          3HD       LYS  50  -8.890  -6.367   4.842
  342   1HE   LYS  50          2HE       LYS  50  -9.258  -5.837   7.225
  343   2HE   LYS  50          3HE       LYS  50  -9.103  -4.136   6.932
  344   1HZ   LYS  50          1HNZ      LYS  50 -11.081  -4.157   5.506
  345   2HZ   LYS  50          2HNZ      LYS  50 -11.361  -5.706   5.871
  346   3HZ   LYS  50          3HNZ      LYS  50 -11.409  -4.544   7.052
  347    H    VAL  51           HN       VAL  51  -3.546  -3.935   5.880
  348    HA   VAL  51           HA       VAL  51  -1.421  -5.524   4.741
  349    HB   VAL  51           HB       VAL  51  -2.077  -4.710   7.634
  350   1HG1  VAL  51          1HG1      VAL  51   0.579  -5.636   6.468
  351   2HG1  VAL  51          2HG1      VAL  51   0.299  -5.019   8.114
  352   3HG1  VAL  51          3HG1      VAL  51  -0.441  -6.544   7.615
  353   1HG2  VAL  51          2HG2      VAL  51  -0.269  -3.360   5.601
  354   2HG2  VAL  51          3HG2      VAL  51  -1.812  -2.733   6.241
  355   3HG2  VAL  51          1HG2      VAL  51  -0.420  -2.903   7.311
  356    H    VAL  52           HN       VAL  52  -1.636  -7.640   4.368
  357    HA   VAL  52           HA       VAL  52  -3.352  -9.339   6.094
  358    HB   VAL  52           HB       VAL  52  -1.667  -9.929   3.655
  359   1HG1  VAL  52          1HG1      VAL  52  -3.669 -11.691   5.142
  360   2HG1  VAL  52          2HG1      VAL  52  -2.913 -12.090   3.586
  361   3HG1  VAL  52          3HG1      VAL  52  -1.916 -11.969   5.038
  362   1HG2  VAL  52          2HG2      VAL  52  -4.640  -9.439   4.031
  363   2HG2  VAL  52          3HG2      VAL  52  -3.482  -8.558   3.004
  364   3HG2  VAL  52          1HG2      VAL  52  -3.959 -10.211   2.591
  365    H    SER  53           HN       SER  53   0.137  -8.863   5.216
  366    HA   SER  53           HA       SER  53   0.951  -9.703   7.848
  367   1HB   SER  53          2HB       SER  53   0.466 -11.931   6.720
  368   2HB   SER  53          3HB       SER  53   1.762 -11.561   5.568
  369    HG   SER  53           HOG      SER  53   2.462 -12.794   7.427
  370    H    GLY  54           HN       GLY  54   3.441 -10.043   7.768
  371   1HA   GLY  54          2HA       GLY  54   5.539  -9.050   7.386
  372   2HA   GLY  54          3HA       GLY  54   4.916  -8.260   5.952
  373    H    SER  55           HN       SER  55   6.306  -6.461   6.997
  374    HA   SER  55           HA       SER  55   4.458  -4.646   8.378
  375   1HB   SER  55          2HB       SER  55   7.349  -4.834   9.220
  376   2HB   SER  55          3HB       SER  55   6.029  -3.984  10.020
  377    HG   SER  55           HOG      SER  55   6.616  -5.992  11.068
  378    H    ILE  56           HN       ILE  56   4.938  -2.479   7.786
  379    HA   ILE  56           HA       ILE  56   7.183  -1.843   6.069
  380    HB   ILE  56           HB       ILE  56   5.807  -0.960   4.340
  381   1HG1  ILE  56          2HG1      ILE  56   3.344  -1.996   5.742
  382   2HG1  ILE  56          3HG1      ILE  56   3.828  -0.303   5.699
  383   1HG2  ILE  56          2HG2      ILE  56   6.346  -3.487   4.269
  384   2HG2  ILE  56          3HG2      ILE  56   4.698  -3.750   4.840
  385   3HG2  ILE  56          1HG2      ILE  56   4.987  -2.972   3.276
  386   1HD1  ILE  56           HD2      ILE  56   3.977  -1.040   2.978
  387   2HD1  ILE  56           HD3      ILE  56   2.493  -1.810   3.587
  388   3HD1  ILE  56           HD1      ILE  56   2.772  -0.062   3.753
  389    H    ASP  57           HN       ASP  57   6.997   0.677   5.648
  390    HA   ASP  57           HA       ASP  57   6.048   1.919   8.206
  391   1HB   ASP  57          2HB       ASP  57   8.482   1.865   8.067
  392   2HB   ASP  57          3HB       ASP  57   8.446   2.597   6.458
  393    H    GLN  58           HN       GLN  58   4.147   2.865   7.695
  394    HA   GLN  58           HA       GLN  58   4.073   4.672   5.304
  395   1HB   GLN  58          2HB       GLN  58   1.609   4.448   5.578
  396   2HB   GLN  58          3HB       GLN  58   2.388   2.931   5.123
  397   1HG   GLN  58          2HG       GLN  58   2.166   2.028   7.272
  398   2HG   GLN  58          3HG       GLN  58   1.975   3.604   8.052
  399   1HE2  GLN  58          2HNE      GLN  58  -1.233   1.801   8.066
  400   2HE2  GLN  58          1HNE      GLN  58   0.404   1.627   8.687
  401    H    SER  59           HN       SER  59   5.540   5.452   7.649
  402    HA   SER  59           HA       SER  59   3.670   7.247   9.071
  403   1HB   SER  59          2HB       SER  59   5.722   5.953  10.035
  404   2HB   SER  59          3HB       SER  59   6.681   7.256   9.331
  405    HG   SER  59           HOG      SER  59   4.505   7.498  11.176
  406    H    ASP  60           HN       ASP  60   3.408   7.755   6.460
  407    HA   ASP  60           HA       ASP  60   4.969  10.270   5.896
  408   1HB   ASP  60          2HB       ASP  60   4.341   7.880   4.128
  409   2HB   ASP  60          3HB       ASP  60   4.593   9.514   3.465
  410    H    GLN  61           HN       GLN  61   2.011   8.410   5.023
  411    HA   GLN  61           HA       GLN  61   0.894  10.435   3.565
  412   1HB   GLN  61          2HB       GLN  61  -1.239   9.311   3.668
  413   2HB   GLN  61          3HB       GLN  61   0.073   8.153   3.436
  414   1HG   GLN  61          2HG       GLN  61  -1.325   8.700   6.076
  415   2HG   GLN  61          3HG       GLN  61  -1.801   7.435   4.956
  416   1HE2  GLN  61          2HNE      GLN  61   0.581   6.098   7.542
  417   2HE2  GLN  61          1HNE      GLN  61  -1.045   6.820   7.623
  418    H    SER  62           HN       SER  62   0.761  10.123   7.050
  419    HA   SER  62           HA       SER  62  -0.342  11.294   8.687
  420   1HB   SER  62          2HB       SER  62  -0.158  13.618   6.713
  421   2HB   SER  62          3HB       SER  62  -0.391  13.724   8.461
  422    HG   SER  62           HOG      SER  62   1.690  12.497   8.561
  423    H    PHE  63           HN       PHE  63  -2.027   9.701   7.613
  424    HA   PHE  63           HA       PHE  63  -4.583  11.114   7.459
  425   1HB   PHE  63          2HB       PHE  63  -4.354  11.079   5.153
  426   2HB   PHE  63          3HB       PHE  63  -3.469   9.554   5.149
  427    HD1  PHE  63           HD2      PHE  63  -6.820  10.284   6.783
  428    HD2  PHE  63           HD1      PHE  63  -4.651   8.245   3.637
  429    HE1  PHE  63           HE2      PHE  63  -8.836   9.021   6.191
  430    HE2  PHE  63           HE1      PHE  63  -6.695   7.042   3.017
  431    HZ   PHE  63           HZ       PHE  63  -8.825   7.487   4.226
  432    H    LEU  64           HN       LEU  64  -3.412   7.649   6.869
  433    HA   LEU  64           HA       LEU  64  -5.637   6.668   8.066
  434   1HB   LEU  64          2HB       LEU  64  -2.892   5.363   7.955
  435   2HB   LEU  64          3HB       LEU  64  -4.231   4.647   8.820
  436    HG   LEU  64           HG       LEU  64  -5.617   4.840   6.655
  437   1HD1  LEU  64          2HD1      LEU  64  -2.766   5.146   5.648
  438   2HD1  LEU  64          3HD1      LEU  64  -4.133   4.624   4.635
  439   3HD1  LEU  64          1HD1      LEU  64  -4.122   6.260   5.343
  440   1HD2  LEU  64          2HD2      LEU  64  -3.226   2.976   6.922
  441   2HD2  LEU  64          3HD2      LEU  64  -4.818   2.764   7.681
  442   3HD2  LEU  64          1HD2      LEU  64  -4.666   2.678   5.913
  443    H    ASP  65           HN       ASP  65  -6.377   6.216  10.083
  444    HA   ASP  65           HA       ASP  65  -4.904   7.489  12.284
  445   1HB   ASP  65          2HB       ASP  65  -7.624   6.131  12.270
  446   2HB   ASP  65          3HB       ASP  65  -6.962   7.109  13.589
  447    H    ASP  66           HN       ASP  66  -4.908   6.329  14.443
  448    HA   ASP  66           HA       ASP  66  -3.262   4.076  14.450
  449   1HB   ASP  66          2HB       ASP  66  -5.245   5.031  16.579
  450   2HB   ASP  66          3HB       ASP  66  -3.900   3.915  16.843
  451    H    GLU  67           HN       GLU  67  -6.767   4.432  14.729
  452    HA   GLU  67           HA       GLU  67  -7.548   1.833  15.256
  453   1HB   GLU  67          2HB       GLU  67  -9.233   3.420  13.302
  454   2HB   GLU  67          3HB       GLU  67  -9.661   2.549  14.770
  455   1HG   GLU  67          2HG       GLU  67  -8.457   4.456  16.017
  456   2HG   GLU  67          3HG       GLU  67  -8.542   5.323  14.465
  457    H    GLN  68           HN       GLN  68  -7.397   3.397  12.006
  458    HA   GLN  68           HA       GLN  68  -7.937   1.119  10.522
  459   1HB   GLN  68          2HB       GLN  68  -6.329   3.566   9.804
  460   2HB   GLN  68          3HB       GLN  68  -6.968   2.396   8.644
  461   1HG   GLN  68          2HG       GLN  68  -9.231   2.798   9.209
  462   2HG   GLN  68          3HG       GLN  68  -8.811   3.799  10.602
  463   1HE2  GLN  68          2HNE      GLN  68  -9.687   5.967   7.733
  464   2HE2  GLN  68          1HNE      GLN  68 -10.508   4.628   8.515
  465    H    MET  69           HN       MET  69  -4.704   2.511  11.431
  466    HA   MET  69           HA       MET  69  -3.103   0.573  10.165
  467   1HB   MET  69          2HB       MET  69  -2.695   2.049  12.803
  468   2HB   MET  69          3HB       MET  69  -1.444   1.179  11.921
  469   1HG   MET  69          2HG       MET  69  -1.641   2.780  10.025
  470   2HG   MET  69          3HG       MET  69  -3.005   3.529  10.783
  471   1HE   MET  69           HE2      MET  69  -1.760   5.596  10.094
  472   2HE   MET  69           HE3      MET  69  -0.275   6.242  10.838
  473   3HE   MET  69           HE1      MET  69  -0.188   4.880   9.684
  474    H    ASP  70           HN       ASP  70  -4.241   0.517  13.570
  475    HA   ASP  70           HA       ASP  70  -3.220  -2.009  14.304
  476   1HB   ASP  70          2HB       ASP  70  -4.159  -0.275  15.868
  477   2HB   ASP  70          3HB       ASP  70  -5.771  -0.615  15.247
  478    H    ALA  71           HN       ALA  71  -6.287  -1.039  12.937
  479    HA   ALA  71           HA       ALA  71  -7.698  -3.496  12.975
  480   1HB   ALA  71          1HB       ALA  71  -7.908  -1.044  11.205
  481   2HB   ALA  71          2HB       ALA  71  -9.133  -2.334  11.250
  482   3HB   ALA  71          3HB       ALA  71  -8.812  -1.348  12.696
  483    H    GLY  72           HN       GLY  72  -5.131  -2.390  10.832
  484   1HA   GLY  72          2HA       GLY  72  -3.952  -4.230   9.785
  485   2HA   GLY  72          3HA       GLY  72  -5.466  -4.903   9.253
  486    H    TYR  73           HN       TYR  73  -4.839  -1.363   9.079
  487    HA   TYR  73           HA       TYR  73  -4.908  -1.675   6.111
  488   1HB   TYR  73          2HB       TYR  73  -5.956   0.534   7.840
  489   2HB   TYR  73          3HB       TYR  73  -5.956   0.479   6.085
  490    HD1  TYR  73           HD2      TYR  73  -7.042  -1.516   4.890
  491    HD2  TYR  73           HD1      TYR  73  -7.859  -0.421   8.968
  492    HE1  TYR  73           HE2      TYR  73  -9.331  -2.307   4.644
  493    HE2  TYR  73           HE1      TYR  73 -10.191  -1.120   8.703
  494    HH   TYR  73           HOH      TYR  73 -11.872  -1.414   6.682
  495    H    VAL  74           HN       VAL  74  -3.890  -0.081   4.773
  496    HA   VAL  74           HA       VAL  74  -1.765   1.504   5.937
  497    HB   VAL  74           HB       VAL  74  -0.818  -0.727   5.879
  498   1HG1  VAL  74          2HG1      VAL  74  -1.327  -0.717   2.868
  499   2HG1  VAL  74          3HG1      VAL  74  -0.364  -1.903   3.761
  500   3HG1  VAL  74          1HG1      VAL  74  -2.108  -1.782   4.056
  501   1HG2  VAL  74          3HG2      VAL  74   0.434   1.494   5.043
  502   2HG2  VAL  74          1HG2      VAL  74   1.185  -0.092   5.179
  503   3HG2  VAL  74          2HG2      VAL  74   0.611   0.519   3.590
  504    H    LEU  75           HN       LEU  75  -1.031   3.153   4.536
  505    HA   LEU  75           HA       LEU  75  -2.761   3.665   2.292
  506   1HB   LEU  75          2HB       LEU  75  -1.462   5.287   3.947
  507   2HB   LEU  75          3HB       LEU  75  -0.184   5.193   2.766
  508    HG   LEU  75           HG       LEU  75  -1.843   7.152   2.717
  509   1HD1  LEU  75          1HD1      LEU  75  -0.272   6.804   0.965
  510   2HD1  LEU  75          2HD1      LEU  75  -1.398   5.720   0.110
  511   3HD1  LEU  75          3HD1      LEU  75  -1.804   7.421   0.348
  512   1HD2  LEU  75          1HD2      LEU  75  -3.965   6.007   2.955
  513   2HD2  LEU  75          2HD2      LEU  75  -3.899   6.985   1.498
  514   3HD2  LEU  75          3HD2      LEU  75  -3.764   5.239   1.379
  515    H    THR  76           HN       THR  76  -2.175   3.712   0.015
  516    HA   THR  76           HA       THR  76   0.091   1.875  -0.668
  517    HB   THR  76           HB       THR  76  -1.633   1.271  -2.549
  518    HG1  THR  76           HG1      THR  76  -3.109   3.027  -1.874
  519   1HG2  THR  76          2HG2      THR  76  -2.109   0.498   0.357
  520   2HG2  THR  76          3HG2      THR  76  -2.668  -0.394  -1.074
  521   3HG2  THR  76          1HG2      THR  76  -0.930  -0.247  -0.744
  522    H    CYS  77           HN       CYS  77   0.479   4.641  -0.563
  523    HA   CYS  77           HA       CYS  77   1.384   5.151  -3.350
  524   1HB   CYS  77          2HB       CYS  77  -0.295   7.010  -1.683
  525   2HB   CYS  77          3HB       CYS  77   0.689   7.564  -3.034
  526    H    HIS  78           HN       HIS  78   1.283   6.232   0.030
  527    HA   HIS  78           HA       HIS  78   4.213   6.803  -0.024
  528   1HB   HIS  78          2HB       HIS  78   1.927   8.200   1.377
  529   2HB   HIS  78          3HB       HIS  78   3.572   8.227   2.002
  530    HD1  HIS  78           HND      HIS  78   5.105  10.074   1.100
  531    HD2  HIS  78           HD       HIS  78   1.818   9.155  -1.374
  532    HE1  HIS  78           HE       HIS  78   5.059  11.835  -0.742
  533    H    ALA  79           HN       ALA  79   4.596   4.581   0.352
  534    HA   ALA  79           HA       ALA  79   4.610   3.811   3.168
  535   1HB   ALA  79          3HB       ALA  79   3.018   2.287   1.049
  536   2HB   ALA  79          1HB       ALA  79   3.570   1.592   2.584
  537   3HB   ALA  79          2HB       ALA  79   2.420   2.947   2.591
  538    H    TYR  80           HN       TYR  80   6.433   2.675   3.514
  539    HA   TYR  80           HA       TYR  80   8.147   1.888   1.180
  540   1HB   TYR  80          2HB       TYR  80   8.715   2.944   3.980
  541   2HB   TYR  80          3HB       TYR  80   9.932   2.275   2.911
  542    HD1  TYR  80           HD1      TYR  80   9.815   3.323   0.377
  543    HD2  TYR  80           HD2      TYR  80   8.545   5.315   3.991
  544    HE1  TYR  80           HE1      TYR  80  10.306   5.511  -0.653
  545    HE2  TYR  80           HE2      TYR  80   9.099   7.495   2.977
  546    HH   TYR  80           HOH      TYR  80  10.597   7.738  -0.278
  547    HA   PRO  81           HA       PRO  81   7.364  -2.059   3.055
  548   1HB   PRO  81          2HB       PRO  81   8.766  -3.595   1.148
  549   2HB   PRO  81          3HB       PRO  81   7.045  -3.121   1.110
  550   1HG   PRO  81          2HG       PRO  81   9.316  -2.043  -0.475
  551   2HG   PRO  81          3HG       PRO  81   7.558  -1.895  -0.734
  552   1HD   PRO  81          2HD       PRO  81   9.227   0.121   0.224
  553   2HD   PRO  81          3HD       PRO  81   7.454   0.105   0.159
  554    H    THR  82           HN       THR  82   8.466  -2.786   4.900
  555    HA   THR  82           HA       THR  82  11.388  -2.308   4.970
  556    HB   THR  82           HB       THR  82  11.099  -2.739   7.397
  557    HG1  THR  82           HG1      THR  82   8.787  -3.761   6.820
  558   1HG2  THR  82          1HG2      THR  82   9.396  -0.548   6.143
  559   2HG2  THR  82          2HG2      THR  82   9.894  -0.607   7.839
  560   3HG2  THR  82          3HG2      THR  82  11.116  -0.462   6.564
  561    H    SER  83           HN       SER  83   9.225  -4.898   4.338
  562    HA   SER  83           HA       SER  83  11.346  -6.782   4.054
  563   1HB   SER  83          2HB       SER  83   9.131  -7.408   6.068
  564   2HB   SER  83          3HB       SER  83  10.431  -8.502   5.571
  565    HG   SER  83           HOG      SER  83  11.659  -6.356   6.400
  566    H    ASP  84           HN       ASP  84   9.983  -9.032   3.524
  567    HA   ASP  84           HA       ASP  84   8.186  -8.562   1.329
  568   1HB   ASP  84          2HB       ASP  84   7.710 -10.976   1.684
  569   2HB   ASP  84          3HB       ASP  84   9.427 -10.614   1.459
  570    H    VAL  85           HN       VAL  85   6.059  -8.310   1.412
  571    HA   VAL  85           HA       VAL  85   4.536  -8.479   3.919
  572    HB   VAL  85           HB       VAL  85   5.326  -6.178   3.986
  573   1HG1  VAL  85          1HG1      VAL  85   4.705  -6.205   1.060
  574   2HG1  VAL  85          2HG1      VAL  85   4.703  -4.667   1.916
  575   3HG1  VAL  85          3HG1      VAL  85   6.161  -5.665   1.919
  576   1HG2  VAL  85          1HG2      VAL  85   2.435  -6.285   3.028
  577   2HG2  VAL  85          2HG2      VAL  85   3.077  -6.174   4.688
  578   3HG2  VAL  85          3HG2      VAL  85   3.210  -4.819   3.588
  579    H    VAL  86           HN       VAL  86   2.361  -8.647   3.637
  580    HA   VAL  86           HA       VAL  86   1.407  -9.209   0.872
  581    HB   VAL  86           HB       VAL  86   0.558 -10.629   3.437
  582   1HG1  VAL  86          3HG1      VAL  86  -1.154 -10.394   1.545
  583   2HG1  VAL  86          1HG1      VAL  86  -0.021 -11.291   0.535
  584   3HG1  VAL  86          2HG1      VAL  86  -0.731 -12.067   1.959
  585   1HG2  VAL  86          1HG2      VAL  86   2.359 -11.599   1.168
  586   2HG2  VAL  86          2HG2      VAL  86   2.817 -11.408   2.873
  587   3HG2  VAL  86          3HG2      VAL  86   1.648 -12.651   2.409
  588    H    ILE  87           HN       ILE  87  -0.033  -7.608   0.394
  589    HA   ILE  87           HA       ILE  87  -1.855  -6.672   2.503
  590    HB   ILE  87           HB       ILE  87  -0.274  -5.007   2.558
  591   1HG1  ILE  87          2HG1      ILE  87  -2.652  -4.155   1.904
  592   2HG1  ILE  87          3HG1      ILE  87  -1.282  -3.050   1.933
  593   1HG2  ILE  87          1HG2      ILE  87   0.148  -5.191  -0.369
  594   2HG2  ILE  87          2HG2      ILE  87   0.787  -3.880   0.653
  595   3HG2  ILE  87          3HG2      ILE  87   1.305  -5.550   0.925
  596   1HD1  ILE  87           HD3      ILE  87  -1.963  -4.490  -0.609
  597   2HD1  ILE  87           HD1      ILE  87  -2.752  -2.981  -0.179
  598   3HD1  ILE  87           HD2      ILE  87  -0.999  -3.028  -0.357
  599    H    GLU  88           HN       GLU  88  -3.869  -5.942   1.662
  600    HA   GLU  88           HA       GLU  88  -4.472  -6.780  -1.139
  601   1HB   GLU  88          2HB       GLU  88  -6.410  -5.947   0.980
  602   2HB   GLU  88          3HB       GLU  88  -6.775  -6.894  -0.479
  603   1HG   GLU  88          2HG       GLU  88  -5.595  -8.817   0.636
  604   2HG   GLU  88          3HG       GLU  88  -5.290  -7.760   2.025
  605    H    THR  89           HN       THR  89  -4.916  -5.189  -2.634
  606    HA   THR  89           HA       THR  89  -4.753  -2.353  -1.657
  607    HB   THR  89           HB       THR  89  -4.386  -1.701  -3.990
  608    HG1  THR  89           HG1      THR  89  -4.974  -4.411  -4.558
  609   1HG2  THR  89          2HG2      THR  89  -2.783  -4.189  -3.303
  610   2HG2  THR  89          3HG2      THR  89  -2.403  -2.964  -4.523
  611   3HG2  THR  89          1HG2      THR  89  -2.434  -2.519  -2.806
  612    H    HIS  90           HN       HIS  90  -6.384  -0.815  -2.898
  613    HA   HIS  90           HA       HIS  90  -8.486  -0.145  -3.447
  614   1HB   HIS  90          2HB       HIS  90  -9.182  -3.085  -3.904
  615   2HB   HIS  90          3HB       HIS  90 -10.131  -1.685  -4.377
  616    HD1  HIS  90           HND      HIS  90  -6.350  -2.269  -5.072
  617    HD2  HIS  90           HD       HIS  90 -10.068  -1.821  -6.983
  618    HE1  HIS  90           HE       HIS  90  -5.864  -2.326  -7.518
  619    H    LYS  91           HN       LYS  91  -7.977   0.054  -0.895
  620    HA   LYS  91           HA       LYS  91 -10.450  -0.928   0.495
  621   1HB   LYS  91          2HB       LYS  91  -7.703  -0.536   1.685
  622   2HB   LYS  91          3HB       LYS  91  -9.126  -1.219   2.472
  623   1HG   LYS  91          2HG       LYS  91  -7.756  -2.446   0.034
  624   2HG   LYS  91          3HG       LYS  91  -7.536  -2.952   1.701
  625   1HD   LYS  91          2HD       LYS  91  -9.674  -3.664   1.987
  626   2HD   LYS  91          3HD       LYS  91 -10.271  -2.961   0.497
  627   1HE   LYS  91          2HE       LYS  91  -9.415  -4.449  -0.927
  628   2HE   LYS  91          3HE       LYS  91  -8.001  -4.770   0.074
  629   1HZ   LYS  91          3HNZ      LYS  91 -10.667  -5.789   0.813
  630   2HZ   LYS  91          1HNZ      LYS  91  -9.588  -6.638  -0.107
  631   3HZ   LYS  91          2HNZ      LYS  91  -9.184  -6.258   1.398
  632    H    GLU  92           HN       GLU  92 -10.105   1.692  -0.917
  633    HA   GLU  92           HA       GLU  92  -9.765   3.691   1.082
  634   1HB   GLU  92          2HB       GLU  92  -9.735   4.339  -1.216
  635   2HB   GLU  92          3HB       GLU  92 -11.352   3.682  -1.528
  636   1HG   GLU  92          2HG       GLU  92 -11.250   6.186  -1.297
  637   2HG   GLU  92          3HG       GLU  92 -12.394   5.410  -0.209
  638    H    GLU  93           HN       GLU  93 -12.885   2.532  -0.306
  639    HA   GLU  93           HA       GLU  93 -14.312   3.429   2.025
  640   1HB   GLU  93          2HB       GLU  93 -15.285   1.772  -0.360
  641   2HB   GLU  93          3HB       GLU  93 -16.302   2.647   0.790
  642   1HG   GLU  93          2HG       GLU  93 -15.341   4.797   0.040
  643   2HG   GLU  93          3HG       GLU  93 -14.299   3.957  -1.119
  644    H    GLU  94           HN       GLU  94 -12.549   1.778   2.916
  645    HA   GLU  94           HA       GLU  94 -13.911  -0.412   4.300
  646   1HB   GLU  94          2HB       GLU  94 -11.448  -0.509   2.567
  647   2HB   GLU  94          3HB       GLU  94 -11.357  -1.382   4.078
  648   1HG   GLU  94          2HG       GLU  94 -13.800  -1.821   2.463
  649   2HG   GLU  94          3HG       GLU  94 -12.303  -2.394   1.734
  650    H    ILE  95           HN       ILE  95 -11.018   1.819   4.034
  651    HA   ILE  95           HA       ILE  95 -10.542   1.638   6.879
  652    HB   ILE  95           HB       ILE  95  -8.883   3.298   6.513
  653   1HG1  ILE  95          2HG1      ILE  95  -9.532   3.382   3.555
  654   2HG1  ILE  95          3HG1      ILE  95 -10.142   4.578   4.721
  655   1HG2  ILE  95          2HG2      ILE  95  -8.489   0.994   6.099
  656   2HG2  ILE  95          3HG2      ILE  95  -8.823   1.095   4.374
  657   3HG2  ILE  95          1HG2      ILE  95  -7.429   1.946   5.066
  658   1HD1  ILE  95           HD2      ILE  95  -7.208   4.042   4.446
  659   2HD1  ILE  95           HD3      ILE  95  -8.131   5.264   3.536
  660   3HD1  ILE  95           HD1      ILE  95  -8.039   5.331   5.326
  661    H    VAL  96           HN       VAL  96 -12.272   4.009   4.813
  662    HA   VAL  96           HA       VAL  96 -12.607   5.734   7.198
  663    HB   VAL  96           HB       VAL  96 -13.674   7.312   5.719
  664   1HG1  VAL  96          3HG1      VAL  96 -11.143   7.282   6.048
  665   2HG1  VAL  96          1HG1      VAL  96 -11.034   6.496   4.461
  666   3HG1  VAL  96          2HG1      VAL  96 -11.725   8.104   4.595
  667   1HG2  VAL  96          1HG2      VAL  96 -14.660   5.771   4.043
  668   2HG2  VAL  96          2HG2      VAL  96 -13.696   7.055   3.294
  669   3HG2  VAL  96          3HG2      VAL  96 -13.034   5.419   3.423
   
  No H/Q in entry =         668
  Start of MODEL   10
    1   1H    ALA   1          1HN       ALA   1  17.481  -1.953  -0.200
    2   2H    ALA   1          2HN       ALA   1  16.078  -2.072  -0.960
    3   2H    ALA   1          3HN       ALA   1  16.078  -2.072  -0.960
    4    HA   ALA   1           HA       ALA   1  17.900  -4.295  -0.554
    5   1HB   ALA   1          2HB       ALA   1  17.084  -3.367   1.634
    6   2HB   ALA   1          3HB       ALA   1  15.453  -3.918   1.176
    7   3HB   ALA   1          1HB       ALA   1  16.760  -5.082   1.335
    8    H    THR   2           HN       THR   2  14.454  -3.545  -1.212
    9    HA   THR   2           HA       THR   2  13.135  -4.288  -2.888
   10    HB   THR   2           HB       THR   2  15.298  -6.136  -3.820
   11    HG1  THR   2           HG1      THR   2  14.968  -3.360  -4.372
   12   1HG2  THR   2          3HG2      THR   2  13.091  -6.395  -4.931
   13   2HG2  THR   2          1HG2      THR   2  13.072  -4.652  -5.288
   14   3HG2  THR   2          2HG2      THR   2  14.294  -5.698  -6.031
   15    H    TYR   3           HN       TYR   3  11.448  -5.253  -1.923
   16    HA   TYR   3           HA       TYR   3  11.796  -8.080  -0.984
   17   1HB   TYR   3          2HB       TYR   3   9.984  -5.900   0.077
   18   2HB   TYR   3          3HB       TYR   3  10.080  -7.541   0.681
   19    HD1  TYR   3           HD1      TYR   3  12.707  -8.276   1.232
   20    HD2  TYR   3           HD2      TYR   3  11.173  -4.248   1.198
   21    HE1  TYR   3           HE1      TYR   3  14.397  -7.611   2.919
   22    HE2  TYR   3           HE2      TYR   3  12.771  -3.641   2.988
   23    HH   TYR   3           HOH      TYR   3  13.776  -4.786   4.807
   24    H    ASN   4           HN       ASN   4  10.081  -9.438  -1.032
   25    HA   ASN   4           HA       ASN   4   8.349  -9.573  -3.289
   26   1HB   ASN   4          2HB       ASN   4   9.338 -11.555  -2.314
   27   2HB   ASN   4          3HB       ASN   4   8.832 -11.080  -0.689
   28   1HD2  ASN   4          2HND      ASN   4   5.541 -12.122  -2.841
   29   2HD2  ASN   4          1HND      ASN   4   6.523 -10.718  -3.310
   30    H    VAL   5           HN       VAL   5   6.845  -7.938  -3.307
   31    HA   VAL   5           HA       VAL   5   5.096  -7.620  -0.882
   32    HB   VAL   5           HB       VAL   5   5.384  -5.809  -3.275
   33   1HG1  VAL   5          1HG1      VAL   5   3.725  -5.548  -0.706
   34   2HG1  VAL   5          2HG1      VAL   5   4.001  -4.249  -1.862
   35   3HG1  VAL   5          3HG1      VAL   5   3.112  -5.698  -2.341
   36   1HG2  VAL   5          3HG2      VAL   5   6.529  -5.705  -0.455
   37   2HG2  VAL   5          1HG2      VAL   5   7.378  -5.549  -1.992
   38   3HG2  VAL   5          2HG2      VAL   5   6.310  -4.245  -1.429
   39    H    LYS   6           HN       LYS   6   3.162  -8.770  -1.021
   40    HA   LYS   6           HA       LYS   6   2.017  -9.133  -3.729
   41   1HB   LYS   6          2HB       LYS   6   2.154 -11.028  -2.095
   42   2HB   LYS   6          3HB       LYS   6   0.935 -10.164  -1.139
   43   1HG   LYS   6          2HG       LYS   6  -0.488 -10.046  -3.311
   44   2HG   LYS   6          3HG       LYS   6   0.737 -11.090  -4.044
   45   1HD   LYS   6          2HD       LYS   6  -1.146 -11.698  -1.723
   46   2HD   LYS   6          3HD       LYS   6  -1.111 -12.284  -3.395
   47   1HE   LYS   6          2HE       LYS   6   1.229 -13.189  -2.877
   48   2HE   LYS   6          3HE       LYS   6   0.873 -12.930  -1.177
   49   1HZ   LYS   6          2HNZ      LYS   6  -0.999 -14.406  -2.932
   50   2HZ   LYS   6          3HNZ      LYS   6   0.297 -15.190  -2.250
   51   3HZ   LYS   6          1HNZ      LYS   6  -0.885 -14.493  -1.319
   52    H    LEU   7           HN       LEU   7   0.380  -8.052  -4.536
   53    HA   LEU   7           HA       LEU   7  -1.295  -6.401  -2.726
   54   1HB   LEU   7          2HB       LEU   7  -0.656  -6.133  -5.676
   55   2HB   LEU   7          3HB       LEU   7  -1.724  -5.040  -4.810
   56    HG   LEU   7           HG       LEU   7   1.217  -5.436  -4.157
   57   1HD1  LEU   7          3HD1      LEU   7  -0.137  -3.509  -6.043
   58   2HD1  LEU   7          1HD1      LEU   7   1.492  -3.221  -5.414
   59   3HD1  LEU   7          2HD1      LEU   7   1.163  -4.654  -6.415
   60   1HD2  LEU   7          3HD2      LEU   7  -0.467  -4.292  -2.482
   61   2HD2  LEU   7          1HD2      LEU   7   1.109  -3.552  -2.806
   62   3HD2  LEU   7          2HD2      LEU   7  -0.340  -2.919  -3.599
   63    H    ILE   8           HN       ILE   8  -3.027  -7.563  -2.159
   64    HA   ILE   8           HA       ILE   8  -4.195  -9.529  -4.029
   65    HB   ILE   8           HB       ILE   8  -4.881  -8.583  -1.255
   66   1HG1  ILE   8          2HG1      ILE   8  -4.040 -11.355  -2.049
   67   2HG1  ILE   8          3HG1      ILE   8  -2.829 -10.098  -1.750
   68   1HG2  ILE   8          2HG2      ILE   8  -6.250 -10.689  -2.990
   69   2HG2  ILE   8          3HG2      ILE   8  -6.529 -10.502  -1.249
   70   3HG2  ILE   8          1HG2      ILE   8  -6.996  -9.213  -2.346
   71   1HD1  ILE   8           HD1      ILE   8  -4.936 -10.957   0.270
   72   2HD1  ILE   8           HD2      ILE   8  -3.231 -11.433   0.260
   73   3HD1  ILE   8           HD3      ILE   8  -3.668  -9.725   0.487
   74    H    THR   9           HN       THR   9  -4.649  -8.259  -5.798
   75    HA   THR   9           HA       THR   9  -6.551  -6.089  -5.509
   76    HB   THR   9           HB       THR   9  -6.274  -5.910  -7.910
   77    HG1  THR   9           HG1      THR   9  -5.794  -8.262  -8.192
   78   1HG2  THR   9          1HG2      THR   9  -3.614  -6.286  -6.442
   79   2HG2  THR   9          2HG2      THR   9  -3.801  -5.498  -8.023
   80   3HG2  THR   9          3HG2      THR   9  -4.514  -4.758  -6.599
   81    HA   PRO  10           HA       PRO  10 -10.245  -8.433  -6.335
   82   1HB   PRO  10          2HB       PRO  10 -10.789  -6.531  -8.597
   83   2HB   PRO  10          3HB       PRO  10 -11.863  -7.067  -7.263
   84   1HG   PRO  10          2HG       PRO  10 -10.677  -4.669  -7.161
   85   2HG   PRO  10          3HG       PRO  10 -10.753  -5.682  -5.701
   86   1HD   PRO  10          2HD       PRO  10  -8.430  -5.160  -7.402
   87   2HD   PRO  10          3HD       PRO  10  -8.533  -5.513  -5.695
   88    H    ASP  11           HN       ASP  11  -8.380  -7.480  -9.186
   89    HA   ASP  11           HA       ASP  11  -9.017  -9.153 -11.239
   90   1HB   ASP  11          2HB       ASP  11  -6.319  -8.188 -10.162
   91   2HB   ASP  11          3HB       ASP  11  -6.549  -8.852 -11.752
   92    H    GLY  12           HN       GLY  12  -7.182  -9.795  -8.321
   93   1HA   GLY  12          2HA       GLY  12  -7.345 -11.818  -7.329
   94   2HA   GLY  12          3HA       GLY  12  -7.117 -12.724  -8.852
   95    H    GLU  13           HN       GLU  13  -5.545 -10.200  -6.928
   96    HA   GLU  13           HA       GLU  13  -3.515  -9.892  -6.003
   97   1HB   GLU  13          2HB       GLU  13  -3.042 -12.726  -6.843
   98   2HB   GLU  13          3HB       GLU  13  -1.884 -11.753  -5.954
   99   1HG   GLU  13          2HG       GLU  13  -3.134 -11.650  -4.058
  100   2HG   GLU  13          3HG       GLU  13  -4.659 -12.124  -4.834
  101    H    VAL  14           HN       VAL  14  -1.550  -9.116  -6.493
  102    HA   VAL  14           HA       VAL  14  -0.226  -9.834  -8.994
  103    HB   VAL  14           HB       VAL  14  -1.797  -8.101  -9.580
  104   1HG1  VAL  14          3HG1      VAL  14  -1.741  -6.838  -7.443
  105   2HG1  VAL  14          1HG1      VAL  14  -0.250  -6.056  -8.013
  106   3HG1  VAL  14          2HG1      VAL  14  -1.767  -5.887  -8.920
  107   1HG2  VAL  14          1HG2      VAL  14   0.277  -8.453 -10.849
  108   2HG2  VAL  14          2HG2      VAL  14  -0.231  -6.760 -10.894
  109   3HG2  VAL  14          3HG2      VAL  14   1.105  -7.266  -9.824
  110    H    GLU  15           HN       GLU  15   1.249 -10.772  -7.720
  111    HA   GLU  15           HA       GLU  15   2.634  -9.316  -5.659
  112   1HB   GLU  15          2HB       GLU  15   1.970 -11.876  -5.908
  113   2HB   GLU  15          3HB       GLU  15   3.465 -11.977  -6.850
  114   1HG   GLU  15          2HG       GLU  15   4.789 -11.345  -4.956
  115   2HG   GLU  15          3HG       GLU  15   3.370 -10.815  -4.046
  116    H    PHE  16           HN       PHE  16   4.675  -8.574  -5.642
  117    HA   PHE  16           HA       PHE  16   6.245  -8.384  -8.127
  118   1HB   PHE  16          2HB       PHE  16   5.788  -6.329  -8.740
  119   2HB   PHE  16          3HB       PHE  16   4.203  -6.948  -8.334
  120    HD1  PHE  16           HD1      PHE  16   3.448  -6.420  -5.807
  121    HD2  PHE  16           HD2      PHE  16   6.660  -4.369  -7.838
  122    HE1  PHE  16           HE1      PHE  16   3.267  -4.536  -4.276
  123    HE2  PHE  16           HE2      PHE  16   6.404  -2.500  -6.368
  124    HZ   PHE  16           HZ       PHE  16   4.619  -2.437  -4.655
  125    H    LYS  17           HN       LYS  17   8.000  -6.590  -7.874
  126    HA   LYS  17           HA       LYS  17   9.201  -7.048  -5.155
  127   1HB   LYS  17          2HB       LYS  17  10.386  -7.104  -7.879
  128   2HB   LYS  17          3HB       LYS  17  11.256  -6.155  -6.698
  129   1HG   LYS  17          2HG       LYS  17  12.145  -8.431  -6.614
  130   2HG   LYS  17          3HG       LYS  17  11.403  -7.911  -5.106
  131   1HD   LYS  17          2HD       LYS  17  10.562 -10.002  -5.198
  132   2HD   LYS  17          3HD       LYS  17   9.264  -9.095  -5.920
  133   1HE   LYS  17          2HE       LYS  17  11.367 -10.720  -7.423
  134   2HE   LYS  17          3HE       LYS  17   9.667 -11.150  -7.195
  135   1HZ   LYS  17          1HNZ      LYS  17   9.098  -9.136  -8.463
  136   2HZ   LYS  17          2HNZ      LYS  17  10.686  -8.862  -8.747
  137   3HZ   LYS  17          3HNZ      LYS  17   9.974 -10.213  -9.350
  138    H    CYS  18           HN       CYS  18   9.289  -5.342  -3.870
  139    HA   CYS  18           HA       CYS  18   9.187  -2.607  -5.139
  140   1HB   CYS  18          2HB       CYS  18   7.049  -3.280  -3.983
  141   2HB   CYS  18          3HB       CYS  18   8.039  -3.353  -2.519
  142    HG   CYS  18           HSG      CYS  18   7.547  -0.899  -4.706
  143    H    ASP  19           HN       ASP  19  10.852  -1.352  -4.651
  144    HA   ASP  19           HA       ASP  19  12.894  -2.215  -2.798
  145   1HB   ASP  19          2HB       ASP  19  12.630   0.463  -4.159
  146   2HB   ASP  19          3HB       ASP  19  14.063  -0.262  -3.416
  147    H    ASP  20           HN       ASP  20  13.099  -1.708  -0.855
  148    HA   ASP  20           HA       ASP  20  11.391  -0.343   0.985
  149   1HB   ASP  20          2HB       ASP  20  13.627  -0.274   2.320
  150   2HB   ASP  20          3HB       ASP  20  12.979  -1.833   1.853
  151    H    ASP  21           HN       ASP  21  13.765   0.731  -1.296
  152    HA   ASP  21           HA       ASP  21  14.074   3.409  -0.315
  153   1HB   ASP  21          2HB       ASP  21  14.709   2.248  -3.060
  154   2HB   ASP  21          3HB       ASP  21  15.427   3.664  -2.293
  155    H    VAL  22           HN       VAL  22  11.484   1.924  -2.096
  156    HA   VAL  22           HA       VAL  22  10.731   4.481  -3.423
  157    HB   VAL  22           HB       VAL  22  11.966   2.563  -4.786
  158   1HG1  VAL  22          3HG1      VAL  22  10.269   0.755  -4.084
  159   2HG1  VAL  22          1HG1      VAL  22   9.091   1.603  -5.088
  160   3HG1  VAL  22          2HG1      VAL  22  10.573   0.939  -5.805
  161   1HG2  VAL  22          3HG2      VAL  22   9.488   3.986  -5.643
  162   2HG2  VAL  22          1HG2      VAL  22  11.156   4.568  -5.789
  163   3HG2  VAL  22          2HG2      VAL  22  10.603   3.180  -6.770
  164    H    TYR  23           HN       TYR  23   8.259   4.625  -3.920
  165    HA   TYR  23           HA       TYR  23   6.975   3.450  -1.597
  166   1HB   TYR  23          2HB       TYR  23   5.722   4.972  -3.858
  167   2HB   TYR  23          3HB       TYR  23   4.956   4.564  -2.332
  168    HD1  TYR  23           HD1      TYR  23   6.737   5.328  -0.225
  169    HD2  TYR  23           HD2      TYR  23   5.974   7.288  -3.992
  170    HE1  TYR  23           HE1      TYR  23   6.983   7.534   0.858
  171    HE2  TYR  23           HE2      TYR  23   6.351   9.481  -2.918
  172    HH   TYR  23           HOH      TYR  23   7.052   9.814   0.573
  173    H    VAL  24           HN       VAL  24   5.223   1.937  -1.666
  174    HA   VAL  24           HA       VAL  24   5.400  -0.268  -3.387
  175    HB   VAL  24           HB       VAL  24   2.777   0.633  -2.144
  176   1HG1  VAL  24          2HG1      VAL  24   2.782  -1.401  -3.654
  177   2HG1  VAL  24          3HG1      VAL  24   4.037  -2.093  -2.577
  178   3HG1  VAL  24          1HG1      VAL  24   2.404  -1.773  -1.963
  179   1HG2  VAL  24          2HG2      VAL  24   5.254  -0.622  -0.885
  180   2HG2  VAL  24          3HG2      VAL  24   4.260   0.720  -0.280
  181   3HG2  VAL  24          1HG2      VAL  24   3.628  -0.913  -0.232
  182    H    LEU  25           HN       LEU  25   3.156   2.513  -3.852
  183    HA   LEU  25           HA       LEU  25   2.137   1.465  -6.253
  184   1HB   LEU  25          2HB       LEU  25   0.873   3.297  -6.531
  185   2HB   LEU  25          3HB       LEU  25   1.095   3.206  -4.795
  186    HG   LEU  25           HG       LEU  25   1.080   5.433  -5.336
  187   1HD1  LEU  25          2HD1      LEU  25   3.030   4.728  -3.834
  188   2HD1  LEU  25          3HD1      LEU  25   4.057   5.045  -5.247
  189   3HD1  LEU  25          1HD1      LEU  25   3.094   6.349  -4.560
  190   1HD2  LEU  25          3HD2      LEU  25   1.403   5.275  -7.770
  191   2HD2  LEU  25          1HD2      LEU  25   2.346   6.581  -7.029
  192   3HD2  LEU  25          2HD2      LEU  25   3.153   5.109  -7.543
  193    H    ASP  26           HN       ASP  26   5.144   3.266  -5.733
  194    HA   ASP  26           HA       ASP  26   5.469   4.297  -8.361
  195   1HB   ASP  26          2HB       ASP  26   7.519   3.453  -6.263
  196   2HB   ASP  26          3HB       ASP  26   7.879   4.357  -7.725
  197    H    GLN  27           HN       GLN  27   7.147   1.562  -6.764
  198    HA   GLN  27           HA       GLN  27   8.188   0.573  -9.205
  199   1HB   GLN  27          2HB       GLN  27   8.355  -0.221  -6.432
  200   2HB   GLN  27          3HB       GLN  27   8.044  -1.649  -7.428
  201   1HG   GLN  27          2HG       GLN  27  10.265   0.317  -8.035
  202   2HG   GLN  27          3HG       GLN  27  10.452  -1.166  -7.086
  203   1HE2  GLN  27          2HNE      GLN  27   9.947  -3.426  -9.893
  204   2HE2  GLN  27          1HNE      GLN  27   9.668  -3.256  -8.177
  205    H    ALA  28           HN       ALA  28   5.159  -0.195  -7.423
  206    HA   ALA  28           HA       ALA  28   4.304  -2.373  -8.937
  207   1HB   ALA  28          1HB       ALA  28   2.782  -0.009  -7.829
  208   2HB   ALA  28          2HB       ALA  28   1.990  -1.415  -8.491
  209   3HB   ALA  28          3HB       ALA  28   3.018  -1.603  -7.058
  210    H    GLU  29           HN       GLU  29   3.508   1.090  -9.688
  211    HA   GLU  29           HA       GLU  29   2.380   0.480 -12.215
  212   1HB   GLU  29          2HB       GLU  29   3.711   3.032 -11.195
  213   2HB   GLU  29          3HB       GLU  29   2.919   2.886 -12.771
  214   1HG   GLU  29          2HG       GLU  29   0.800   2.201 -11.658
  215   2HG   GLU  29          3HG       GLU  29   1.564   2.422 -10.078
  216    H    GLU  30           HN       GLU  30   5.814   1.169 -11.292
  217    HA   GLU  30           HA       GLU  30   6.886   0.995 -13.901
  218   1HB   GLU  30          2HB       GLU  30   8.223   0.174 -11.345
  219   2HB   GLU  30          3HB       GLU  30   9.026   0.454 -12.874
  220   1HG   GLU  30          2HG       GLU  30   7.363   2.728 -11.770
  221   2HG   GLU  30          3HG       GLU  30   8.916   2.354 -11.019
  222    H    GLU  31           HN       GLU  31   6.042  -1.726 -11.758
  223    HA   GLU  31           HA       GLU  31   7.224  -3.600 -13.680
  224   1HB   GLU  31          2HB       GLU  31   5.247  -4.382 -11.539
  225   2HB   GLU  31          3HB       GLU  31   6.531  -5.343 -12.288
  226   1HG   GLU  31          2HG       GLU  31   7.755  -3.028 -11.172
  227   2HG   GLU  31          3HG       GLU  31   6.594  -3.542 -10.001
  228    H    GLY  32           HN       GLY  32   4.280  -1.900 -13.293
  229   1HA   GLY  32          2HA       GLY  32   3.035  -1.506 -15.358
  230   2HA   GLY  32          3HA       GLY  32   3.101  -3.234 -15.724
  231    H    ILE  33           HN       ILE  33   2.659  -2.439 -12.358
  232    HA   ILE  33           HA       ILE  33   0.066  -3.734 -12.434
  233    HB   ILE  33           HB       ILE  33   1.528  -2.426 -10.173
  234   1HG1  ILE  33          2HG1      ILE  33   1.598  -5.280 -11.143
  235   2HG1  ILE  33          3HG1      ILE  33   2.933  -4.131 -11.269
  236   1HG2  ILE  33          2HG2      ILE  33  -0.937  -2.987  -9.796
  237   2HG2  ILE  33          3HG2      ILE  33  -0.531  -4.647 -10.176
  238   3HG2  ILE  33          1HG2      ILE  33   0.157  -3.866  -8.725
  239   1HD1  ILE  33           HD3      ILE  33   2.696  -3.887  -8.657
  240   2HD1  ILE  33           HD1      ILE  33   1.996  -5.503  -8.776
  241   3HD1  ILE  33           HD2      ILE  33   3.621  -5.178  -9.429
  242    H    ASP  34           HN       ASP  34  -1.839  -2.811 -12.292
  243    HA   ASP  34           HA       ASP  34  -2.178   0.157 -12.100
  244   1HB   ASP  34          2HB       ASP  34  -3.193  -1.029 -14.005
  245   2HB   ASP  34          3HB       ASP  34  -4.126  -2.053 -12.887
  246    H    ILE  35           HN       ILE  35  -2.540   0.956 -10.113
  247    HA   ILE  35           HA       ILE  35  -4.377  -0.441  -8.361
  248    HB   ILE  35           HB       ILE  35  -3.084  -0.440  -6.445
  249   1HG1  ILE  35          2HG1      ILE  35  -0.845   1.130  -7.792
  250   2HG1  ILE  35          3HG1      ILE  35  -2.005   1.784  -6.625
  251   1HG2  ILE  35          2HG2      ILE  35  -2.480  -2.246  -8.040
  252   2HG2  ILE  35          3HG2      ILE  35  -1.034  -1.272  -8.468
  253   3HG2  ILE  35          1HG2      ILE  35  -1.273  -1.883  -6.824
  254   1HD1  ILE  35           HD2      ILE  35  -1.259  -0.114  -5.043
  255   2HD1  ILE  35           HD3      ILE  35   0.150  -0.282  -6.109
  256   3HD1  ILE  35           HD1      ILE  35  -0.148   1.248  -5.277
  257    HA   PRO  36           HA       PRO  36  -5.831   3.628  -8.140
  258   1HB   PRO  36          2HB       PRO  36  -7.120   3.843  -5.737
  259   2HB   PRO  36          3HB       PRO  36  -7.665   2.775  -7.066
  260   1HG   PRO  36          2HG       PRO  36  -6.098   2.020  -4.610
  261   2HG   PRO  36          3HG       PRO  36  -7.477   1.169  -5.357
  262   1HD   PRO  36          2HD       PRO  36  -4.838   0.521  -5.735
  263   2HD   PRO  36          3HD       PRO  36  -6.066   0.219  -7.006
  264    H    TYR  37           HN       TYR  37  -4.923   5.537  -7.909
  265    HA   TYR  37           HA       TYR  37  -3.736   6.702  -5.601
  266   1HB   TYR  37          2HB       TYR  37  -1.824   5.315  -6.045
  267   2HB   TYR  37          3HB       TYR  37  -2.034   5.444  -7.786
  268    HD1  TYR  37           HD2      TYR  37  -1.188   7.575  -4.770
  269    HD2  TYR  37           HD1      TYR  37  -0.758   6.986  -9.028
  270    HE1  TYR  37           HE2      TYR  37   0.672   9.158  -4.798
  271    HE2  TYR  37           HE1      TYR  37   0.997   8.726  -9.073
  272    HH   TYR  37           HOH      TYR  37   1.694  10.627  -6.202
  273    H    SER  38           HN       SER  38  -3.923   8.996  -6.079
  274    HA   SER  38           HA       SER  38  -4.283   9.793  -8.918
  275   1HB   SER  38          2HB       SER  38  -6.474   8.795  -8.178
  276   2HB   SER  38          3HB       SER  38  -6.528   9.987  -6.860
  277    HG   SER  38           HOG      SER  38  -6.388  11.597  -8.541
  278    H    CYS  39           HN       CYS  39  -2.487  10.513  -6.553
  279    HA   CYS  39           HA       CYS  39  -2.752  13.389  -6.415
  280   1HB   CYS  39          2HB       CYS  39  -3.415  13.241  -3.981
  281   2HB   CYS  39          3HB       CYS  39  -4.641  12.944  -5.177
  282    H    ARG  40           HN       ARG  40  -1.377  13.735  -3.991
  283    HA   ARG  40           HA       ARG  40   0.785  11.944  -3.590
  284   1HB   ARG  40          2HB       ARG  40   1.522  12.597  -5.850
  285   2HB   ARG  40          3HB       ARG  40   1.661  14.269  -5.289
  286   1HG   ARG  40          2HG       ARG  40   3.031  12.759  -3.332
  287   2HG   ARG  40          3HG       ARG  40   3.374  11.870  -4.802
  288   1HD   ARG  40          2HD       ARG  40   4.508  13.817  -5.756
  289   2HD   ARG  40          3HD       ARG  40   3.729  14.886  -4.586
  290    HE   ARG  40           HNE      ARG  40   5.308  14.524  -3.060
  291   1HH1  ARG  40          2HN2      ARG  40   5.489  11.853  -5.339
  292   2HH1  ARG  40          1HN2      ARG  40   6.830  11.057  -4.573
  293   1HH2  ARG  40          2HN1      ARG  40   7.013  13.457  -1.934
  294   2HH2  ARG  40          1HN1      ARG  40   7.639  11.951  -2.509
  295    H    ALA  41           HN       ALA  41  -0.054  12.526  -1.451
  296    HA   ALA  41           HA       ALA  41   1.730  14.499  -0.300
  297   1HB   ALA  41          1HB       ALA  41  -0.107  16.027  -0.889
  298   2HB   ALA  41          2HB       ALA  41  -1.251  15.030   0.031
  299   3HB   ALA  41          3HB       ALA  41   0.074  15.857   0.865
  300    H    GLY  42           HN       GLY  42  -1.320  12.772   0.631
  301   1HA   GLY  42          2HA       GLY  42  -0.396  10.664   2.018
  302   2HA   GLY  42          3HA       GLY  42  -0.109  11.964   3.183
  303    H    SER  43           HN       SER  43  -2.243  13.630   3.003
  304    HA   SER  43           HA       SER  43  -4.696  11.943   3.405
  305   1HB   SER  43          2HB       SER  43  -5.480  13.885   4.707
  306   2HB   SER  43          3HB       SER  43  -4.000  13.196   5.388
  307    HG   SER  43           HOG      SER  43  -4.162  15.415   3.631
  308    H    CYS  44           HN       CYS  44  -4.632  11.883   0.959
  309    HA   CYS  44           HA       CYS  44  -6.247  14.177   0.001
  310   1HB   CYS  44          2HB       CYS  44  -5.127  13.363  -2.305
  311   2HB   CYS  44          3HB       CYS  44  -4.730  14.753  -1.331
  312    H    SER  45           HN       SER  45  -6.102  11.436  -2.252
  313    HA   SER  45           HA       SER  45  -8.105   9.999  -0.757
  314   1HB   SER  45          2HB       SER  45  -9.969  10.392  -2.431
  315   2HB   SER  45          3HB       SER  45  -9.643  11.710  -1.305
  316    HG   SER  45           HOG      SER  45  -9.879  12.371  -3.539
  317    H    SER  46           HN       SER  46  -8.821   8.164  -1.569
  318    HA   SER  46           HA       SER  46  -8.991   6.258  -2.773
  319   1HB   SER  46          2HB       SER  46  -7.872   7.761  -5.164
  320   2HB   SER  46          3HB       SER  46  -8.703   6.205  -5.168
  321    HG   SER  46           HOG      SER  46 -10.497   7.387  -4.123
  322    H    CYS  47           HN       CYS  47  -7.028   6.211  -1.031
  323    HA   CYS  47           HA       CYS  47  -4.840   4.689  -2.336
  324   1HB   CYS  47          2HB       CYS  47  -4.403   7.202  -0.757
  325   2HB   CYS  47          3HB       CYS  47  -3.148   6.053  -1.207
  326    H    ALA  48           HN       ALA  48  -5.963   2.970  -0.956
  327    HA   ALA  48           HA       ALA  48  -4.510   2.796   1.565
  328   1HB   ALA  48          3HB       ALA  48  -6.468   4.071   2.335
  329   2HB   ALA  48          1HB       ALA  48  -7.534   2.825   1.663
  330   3HB   ALA  48          2HB       ALA  48  -6.444   2.423   3.000
  331    H    GLY  49           HN       GLY  49  -4.551   0.716   2.491
  332   1HA   GLY  49          2HA       GLY  49  -5.719  -1.448   0.937
  333   2HA   GLY  49          3HA       GLY  49  -3.956  -1.429   1.079
  334    H    LYS  50           HN       LYS  50  -5.365  -3.568   2.114
  335    HA   LYS  50           HA       LYS  50  -5.379  -3.241   5.009
  336   1HB   LYS  50          2HB       LYS  50  -7.181  -4.307   3.369
  337   2HB   LYS  50          3HB       LYS  50  -6.248  -5.771   3.621
  338   1HG   LYS  50          2HG       LYS  50  -6.723  -5.817   5.951
  339   2HG   LYS  50          3HG       LYS  50  -7.105  -4.088   5.988
  340   1HD   LYS  50          2HD       LYS  50  -9.002  -4.525   4.399
  341   2HD   LYS  50          3HD       LYS  50  -8.801  -6.257   4.718
  342   1HE   LYS  50          2HE       LYS  50  -9.249  -5.921   7.110
  343   2HE   LYS  50          3HE       LYS  50  -9.129  -4.191   6.963
  344   1HZ   LYS  50          2HNZ      LYS  50 -11.074  -4.129   5.517
  345   2HZ   LYS  50          3HNZ      LYS  50 -11.278  -5.707   5.641
  346   3HZ   LYS  50          1HNZ      LYS  50 -11.443  -4.748   6.988
  347    H    VAL  51           HN       VAL  51  -3.542  -3.858   6.093
  348    HA   VAL  51           HA       VAL  51  -1.377  -5.327   4.806
  349    HB   VAL  51           HB       VAL  51  -1.876  -4.643   7.772
  350   1HG1  VAL  51          2HG1      VAL  51  -0.106  -6.381   7.418
  351   2HG1  VAL  51          3HG1      VAL  51   0.777  -5.219   6.387
  352   3HG1  VAL  51          1HG1      VAL  51   0.501  -4.866   8.105
  353   1HG2  VAL  51          1HG2      VAL  51  -1.814  -2.585   6.475
  354   2HG2  VAL  51          2HG2      VAL  51  -0.371  -2.702   7.479
  355   3HG2  VAL  51          3HG2      VAL  51  -0.256  -3.075   5.747
  356    H    VAL  52           HN       VAL  52  -1.660  -7.452   4.377
  357    HA   VAL  52           HA       VAL  52  -3.329  -9.137   6.165
  358    HB   VAL  52           HB       VAL  52  -1.766  -9.706   3.643
  359   1HG1  VAL  52          3HG1      VAL  52  -3.668 -11.501   5.221
  360   2HG1  VAL  52          1HG1      VAL  52  -3.020 -11.871   3.611
  361   3HG1  VAL  52          2HG1      VAL  52  -1.926 -11.775   4.994
  362   1HG2  VAL  52          3HG2      VAL  52  -4.719  -9.248   4.198
  363   2HG2  VAL  52          1HG2      VAL  52  -3.625  -8.323   3.142
  364   3HG2  VAL  52          2HG2      VAL  52  -4.109  -9.968   2.700
  365    H    SER  53           HN       SER  53   0.129  -8.707   5.170
  366    HA   SER  53           HA       SER  53   0.979  -9.566   7.780
  367   1HB   SER  53          2HB       SER  53   0.485 -11.798   6.569
  368   2HB   SER  53          3HB       SER  53   1.847 -11.396   5.505
  369    HG   SER  53           HOG      SER  53   1.832 -11.846   8.307
  370    H    GLY  54           HN       GLY  54   3.477  -9.904   7.665
  371   1HA   GLY  54          2HA       GLY  54   5.523  -8.812   7.392
  372   2HA   GLY  54          3HA       GLY  54   4.941  -8.116   5.887
  373    H    SER  55           HN       SER  55   6.065  -6.115   6.680
  374    HA   SER  55           HA       SER  55   4.062  -4.338   7.749
  375   1HB   SER  55          2HB       SER  55   6.772  -4.503   9.123
  376   2HB   SER  55          3HB       SER  55   5.452  -3.399   9.492
  377    HG   SER  55           HOG      SER  55   4.358  -5.750   9.677
  378    H    ILE  56           HN       ILE  56   4.714  -2.093   7.335
  379    HA   ILE  56           HA       ILE  56   6.992  -1.614   5.588
  380    HB   ILE  56           HB       ILE  56   5.633  -0.697   3.862
  381   1HG1  ILE  56          2HG1      ILE  56   3.137  -1.568   5.330
  382   2HG1  ILE  56          3HG1      ILE  56   3.692   0.094   5.196
  383   1HG2  ILE  56          1HG2      ILE  56   6.039  -3.257   3.887
  384   2HG2  ILE  56          2HG2      ILE  56   4.381  -3.386   4.467
  385   3HG2  ILE  56          3HG2      ILE  56   4.712  -2.689   2.868
  386   1HD1  ILE  56           HD1      ILE  56   3.785  -0.545   2.551
  387   2HD1  ILE  56           HD2      ILE  56   2.513  -1.669   3.072
  388   3HD1  ILE  56           HD3      ILE  56   2.335   0.076   3.302
  389    H    ASP  57           HN       ASP  57   7.184   0.799   5.258
  390    HA   ASP  57           HA       ASP  57   6.374   2.227   7.753
  391   1HB   ASP  57          2HB       ASP  57   8.771   2.118   7.528
  392   2HB   ASP  57          3HB       ASP  57   8.694   2.555   5.812
  393    H    GLN  58           HN       GLN  58   4.469   3.214   7.295
  394    HA   GLN  58           HA       GLN  58   4.261   4.848   4.809
  395   1HB   GLN  58          2HB       GLN  58   1.833   4.909   5.463
  396   2HB   GLN  58          3HB       GLN  58   2.444   3.335   4.949
  397   1HG   GLN  58          2HG       GLN  58   2.512   2.515   7.169
  398   2HG   GLN  58          3HG       GLN  58   2.391   4.136   7.872
  399   1HE2  GLN  58          2HNE      GLN  58  -0.868   2.384   8.152
  400   2HE2  GLN  58          1HNE      GLN  58   0.778   2.072   8.672
  401    H    SER  59           HN       SER  59   6.044   5.661   7.057
  402    HA   SER  59           HA       SER  59   4.993   7.574   8.692
  403   1HB   SER  59          2HB       SER  59   7.529   7.726   7.007
  404   2HB   SER  59          3HB       SER  59   7.112   8.900   8.269
  405    HG   SER  59           HOG      SER  59   7.503   6.110   8.571
  406    H    ASP  60           HN       ASP  60   5.363   7.933   5.177
  407    HA   ASP  60           HA       ASP  60   4.777  10.778   5.153
  408   1HB   ASP  60          2HB       ASP  60   4.970   8.671   2.963
  409   2HB   ASP  60          3HB       ASP  60   4.696  10.393   2.653
  410    H    GLN  61           HN       GLN  61   2.690   9.206   6.503
  411    HA   GLN  61           HA       GLN  61   0.470   9.042   4.643
  412   1HB   GLN  61          2HB       GLN  61  -0.707   7.942   6.531
  413   2HB   GLN  61          3HB       GLN  61   0.788   7.156   6.059
  414   1HG   GLN  61          2HG       GLN  61   1.852   8.455   8.109
  415   2HG   GLN  61          3HG       GLN  61   0.173   8.729   8.595
  416   1HE2  GLN  61          2HNE      GLN  61  -0.392   5.104   8.968
  417   2HE2  GLN  61          1HNE      GLN  61  -1.099   6.395   8.007
  418    H    SER  62           HN       SER  62   0.839  10.529   7.886
  419    HA   SER  62           HA       SER  62  -0.605  11.881   9.020
  420   1HB   SER  62          2HB       SER  62  -0.521  13.472   6.425
  421   2HB   SER  62          3HB       SER  62  -0.835  14.100   8.052
  422    HG   SER  62           HOG      SER  62   1.562  12.837   7.170
  423    H    PHE  63           HN       PHE  63  -2.059   9.712   7.714
  424    HA   PHE  63           HA       PHE  63  -4.713  10.998   7.339
  425   1HB   PHE  63          2HB       PHE  63  -3.905  10.736   5.108
  426   2HB   PHE  63          3HB       PHE  63  -3.384   9.092   5.413
  427    HD1  PHE  63           HD1      PHE  63  -6.758   9.972   6.721
  428    HD2  PHE  63           HD2      PHE  63  -4.534   8.554   3.277
  429    HE1  PHE  63           HE1      PHE  63  -8.703   8.716   5.964
  430    HE2  PHE  63           HE2      PHE  63  -6.527   7.329   2.519
  431    HZ   PHE  63           HZ       PHE  63  -8.659   7.507   3.784
  432    H    LEU  64           HN       LEU  64  -3.562   7.542   6.996
  433    HA   LEU  64           HA       LEU  64  -5.842   6.626   8.200
  434   1HB   LEU  64          2HB       LEU  64  -3.118   5.342   7.986
  435   2HB   LEU  64          3HB       LEU  64  -4.386   4.587   8.919
  436    HG   LEU  64           HG       LEU  64  -5.914   4.735   6.905
  437   1HD1  LEU  64          1HD1      LEU  64  -3.251   5.286   5.526
  438   2HD1  LEU  64          2HD1      LEU  64  -4.735   4.788   4.691
  439   3HD1  LEU  64          3HD1      LEU  64  -4.678   6.353   5.512
  440   1HD2  LEU  64          2HD2      LEU  64  -3.390   3.066   6.845
  441   2HD2  LEU  64          3HD2      LEU  64  -4.897   2.709   7.721
  442   3HD2  LEU  64          1HD2      LEU  64  -4.887   2.698   5.943
  443    H    ASP  65           HN       ASP  65  -6.496   6.071  10.254
  444    HA   ASP  65           HA       ASP  65  -5.038   7.371  12.472
  445   1HB   ASP  65          2HB       ASP  65  -7.710   5.940  12.382
  446   2HB   ASP  65          3HB       ASP  65  -7.018   6.691  13.824
  447    H    ASP  66           HN       ASP  66  -4.804   6.162  14.518
  448    HA   ASP  66           HA       ASP  66  -3.058   3.970  14.259
  449   1HB   ASP  66          2HB       ASP  66  -4.722   4.866  16.661
  450   2HB   ASP  66          3HB       ASP  66  -3.322   3.783  16.710
  451    H    GLU  67           HN       GLU  67  -6.528   4.208  14.932
  452    HA   GLU  67           HA       GLU  67  -7.119   1.562  15.530
  453   1HB   GLU  67          2HB       GLU  67  -9.087   3.071  13.792
  454   2HB   GLU  67          3HB       GLU  67  -9.306   2.158  15.280
  455   1HG   GLU  67          2HG       GLU  67  -8.073   4.117  16.422
  456   2HG   GLU  67          3HG       GLU  67  -8.385   4.995  14.906
  457    H    GLN  68           HN       GLN  68  -7.469   3.140  12.299
  458    HA   GLN  68           HA       GLN  68  -7.896   0.910  10.761
  459   1HB   GLN  68          2HB       GLN  68  -6.378   3.434  10.093
  460   2HB   GLN  68          3HB       GLN  68  -6.966   2.274   8.903
  461   1HG   GLN  68          2HG       GLN  68  -9.247   2.581   9.476
  462   2HG   GLN  68          3HG       GLN  68  -8.847   3.548  10.900
  463   1HE2  GLN  68          2HNE      GLN  68  -9.828   5.810   8.146
  464   2HE2  GLN  68          1HNE      GLN  68 -10.590   4.380   8.812
  465    H    MET  69           HN       MET  69  -4.626   2.356  11.495
  466    HA   MET  69           HA       MET  69  -3.082   0.404  10.177
  467   1HB   MET  69          2HB       MET  69  -2.485   1.939  12.739
  468   2HB   MET  69          3HB       MET  69  -1.327   1.007  11.786
  469   1HG   MET  69          2HG       MET  69  -1.930   2.433   9.795
  470   2HG   MET  69          3HG       MET  69  -2.899   3.411  10.827
  471   1HE   MET  69           HE1      MET  69  -1.883   5.639  10.682
  472   2HE   MET  69           HE2      MET  69  -2.032   5.235  12.410
  473   3HE   MET  69           HE3      MET  69  -0.582   6.080  11.810
  474    H    ASP  70           HN       ASP  70  -3.977   0.339  13.651
  475    HA   ASP  70           HA       ASP  70  -2.829  -2.163  14.289
  476   1HB   ASP  70          2HB       ASP  70  -3.648  -0.453  15.935
  477   2HB   ASP  70          3HB       ASP  70  -5.308  -0.814  15.462
  478    H    ALA  71           HN       ALA  71  -6.007  -1.262  13.150
  479    HA   ALA  71           HA       ALA  71  -7.370  -3.742  13.358
  480   1HB   ALA  71          1HB       ALA  71  -7.775  -1.352  11.532
  481   2HB   ALA  71          2HB       ALA  71  -8.970  -2.650  11.758
  482   3HB   ALA  71          3HB       ALA  71  -8.523  -1.597  13.120
  483    H    GLY  72           HN       GLY  72  -4.991  -2.644  11.006
  484   1HA   GLY  72          2HA       GLY  72  -3.957  -4.530   9.806
  485   2HA   GLY  72          3HA       GLY  72  -5.547  -5.073   9.352
  486    H    TYR  73           HN       TYR  73  -4.885  -1.570   9.312
  487    HA   TYR  73           HA       TYR  73  -4.971  -1.744   6.332
  488   1HB   TYR  73          2HB       TYR  73  -5.975   0.421   8.126
  489   2HB   TYR  73          3HB       TYR  73  -5.936   0.442   6.374
  490    HD1  TYR  73           HD2      TYR  73  -7.094  -1.403   5.047
  491    HD2  TYR  73           HD1      TYR  73  -7.878  -0.656   9.213
  492    HE1  TYR  73           HE2      TYR  73  -9.393  -2.166   4.750
  493    HE2  TYR  73           HE1      TYR  73 -10.212  -1.346   8.905
  494    HH   TYR  73           HOH      TYR  73 -11.896  -1.422   6.656
  495    H    VAL  74           HN       VAL  74  -3.988   0.057   5.143
  496    HA   VAL  74           HA       VAL  74  -1.798   1.497   6.370
  497    HB   VAL  74           HB       VAL  74  -0.802  -0.691   6.128
  498   1HG1  VAL  74          2HG1      VAL  74  -1.504  -0.510   3.147
  499   2HG1  VAL  74          3HG1      VAL  74  -0.455  -1.727   3.881
  500   3HG1  VAL  74          1HG1      VAL  74  -2.177  -1.683   4.297
  501   1HG2  VAL  74          2HG2      VAL  74   0.515   1.363   5.646
  502   2HG2  VAL  74          3HG2      VAL  74   1.131  -0.173   5.073
  503   3HG2  VAL  74          1HG2      VAL  74   0.363   0.968   3.928
  504    H    LEU  75           HN       LEU  75  -0.990   3.083   4.858
  505    HA   LEU  75           HA       LEU  75  -2.905   3.836   2.822
  506   1HB   LEU  75          2HB       LEU  75  -1.114   5.132   4.452
  507   2HB   LEU  75          3HB       LEU  75  -0.230   5.156   2.937
  508    HG   LEU  75           HG       LEU  75  -3.192   5.996   3.127
  509   1HD1  LEU  75          1HD1      LEU  75  -0.673   7.562   3.699
  510   2HD1  LEU  75          2HD1      LEU  75  -2.255   8.308   3.430
  511   3HD1  LEU  75          3HD1      LEU  75  -2.011   7.259   4.838
  512   1HD2  LEU  75          2HD2      LEU  75  -2.071   5.668   0.879
  513   2HD2  LEU  75          3HD2      LEU  75  -2.526   7.359   1.186
  514   3HD2  LEU  75          1HD2      LEU  75  -0.843   6.822   1.433
  515    H    THR  76           HN       THR  76  -2.716   3.469   0.592
  516    HA   THR  76           HA       THR  76  -0.895   1.310  -0.205
  517    HB   THR  76           HB       THR  76  -3.069   2.877  -1.624
  518    HG1  THR  76           HG1      THR  76  -3.164   0.936  -0.058
  519   1HG2  THR  76          2HG2      THR  76  -1.219   0.776  -2.811
  520   2HG2  THR  76          3HG2      THR  76  -2.771   1.291  -3.519
  521   3HG2  THR  76          1HG2      THR  76  -1.444   2.449  -3.383
  522    H    CYS  77           HN       CYS  77  -1.259   4.808  -1.050
  523    HA   CYS  77           HA       CYS  77   1.277   4.806  -2.479
  524   1HB   CYS  77          2HB       CYS  77   0.803   7.040  -2.913
  525   2HB   CYS  77          3HB       CYS  77  -0.792   6.287  -2.839
  526    H    HIS  78           HN       HIS  78   2.753   6.672  -1.611
  527    HA   HIS  78           HA       HIS  78   4.309   7.310  -0.018
  528   1HB   HIS  78          2HB       HIS  78   1.566   7.923   1.091
  529   2HB   HIS  78          3HB       HIS  78   3.021   8.410   1.926
  530    HD1  HIS  78           HND      HIS  78   2.768  10.948   1.580
  531    HD2  HIS  78           HD       HIS  78   2.984   8.654  -1.951
  532    HE1  HIS  78           HE       HIS  78   3.398  12.544  -0.332
  533    H    ALA  79           HN       ALA  79   4.365   4.653   0.021
  534    HA   ALA  79           HA       ALA  79   4.714   3.876   2.861
  535   1HB   ALA  79          1HB       ALA  79   2.951   2.503   0.789
  536   2HB   ALA  79          2HB       ALA  79   3.466   1.784   2.331
  537   3HB   ALA  79          3HB       ALA  79   2.438   3.230   2.326
  538    H    TYR  80           HN       TYR  80   6.619   2.907   3.077
  539    HA   TYR  80           HA       TYR  80   8.121   1.882   0.685
  540   1HB   TYR  80          2HB       TYR  80   8.956   2.778   3.462
  541   2HB   TYR  80          3HB       TYR  80   9.989   2.091   2.218
  542    HD1  TYR  80           HD2      TYR  80  10.117   3.338  -0.047
  543    HD2  TYR  80           HD1      TYR  80   8.606   5.132   3.561
  544    HE1  TYR  80           HE2      TYR  80  10.371   5.580  -1.061
  545    HE2  TYR  80           HE1      TYR  80   8.984   7.379   2.606
  546    HH   TYR  80           HOH      TYR  80   9.510   8.562   0.734
  547    HA   PRO  81           HA       PRO  81   7.313  -2.032   2.716
  548   1HB   PRO  81          2HB       PRO  81   8.838  -3.593   0.895
  549   2HB   PRO  81          3HB       PRO  81   7.090  -3.244   0.834
  550   1HG   PRO  81          2HG       PRO  81   9.260  -2.117  -0.827
  551   2HG   PRO  81          3HG       PRO  81   7.478  -2.002  -1.022
  552   1HD   PRO  81          2HD       PRO  81   9.156   0.072  -0.212
  553   2HD   PRO  81          3HD       PRO  81   7.385   0.017  -0.252
  554    H    THR  82           HN       THR  82   8.394  -2.653   4.628
  555    HA   THR  82           HA       THR  82  11.311  -2.163   4.734
  556    HB   THR  82           HB       THR  82  10.917  -2.612   7.180
  557    HG1  THR  82           HG1      THR  82   8.622  -3.525   6.582
  558   1HG2  THR  82          2HG2      THR  82  11.136  -0.345   6.243
  559   2HG2  THR  82          3HG2      THR  82   9.404  -0.321   5.855
  560   3HG2  THR  82          1HG2      THR  82   9.930  -0.376   7.548
  561    H    SER  83           HN       SER  83   9.184  -4.819   4.222
  562    HA   SER  83           HA       SER  83  11.350  -6.660   4.053
  563   1HB   SER  83          2HB       SER  83   9.136  -7.190   6.103
  564   2HB   SER  83          3HB       SER  83  10.430  -8.325   5.673
  565    HG   SER  83           HOG      SER  83  11.650  -6.116   6.370
  566    H    ASP  84           HN       ASP  84   9.945  -9.000   3.732
  567    HA   ASP  84           HA       ASP  84   8.267  -8.611   1.454
  568   1HB   ASP  84          2HB       ASP  84   7.715 -11.018   1.910
  569   2HB   ASP  84          3HB       ASP  84   9.451 -10.705   1.760
  570    H    VAL  85           HN       VAL  85   6.082  -8.556   1.394
  571    HA   VAL  85           HA       VAL  85   4.482  -8.500   3.863
  572    HB   VAL  85           HB       VAL  85   5.358  -6.247   3.936
  573   1HG1  VAL  85          1HG1      VAL  85   4.751  -6.210   1.006
  574   2HG1  VAL  85          2HG1      VAL  85   5.006  -4.706   1.899
  575   3HG1  VAL  85          3HG1      VAL  85   6.289  -5.910   1.830
  576   1HG2  VAL  85          2HG2      VAL  85   2.470  -6.300   2.981
  577   2HG2  VAL  85          3HG2      VAL  85   3.152  -5.991   4.595
  578   3HG2  VAL  85          1HG2      VAL  85   3.280  -4.804   3.310
  579    H    VAL  86           HN       VAL  86   2.264  -8.534   3.574
  580    HA   VAL  86           HA       VAL  86   1.309  -9.053   0.796
  581    HB   VAL  86           HB       VAL  86   0.409 -10.505   3.317
  582   1HG1  VAL  86          1HG1      VAL  86  -1.351 -10.130   1.502
  583   2HG1  VAL  86          2HG1      VAL  86  -0.325 -11.057   0.410
  584   3HG1  VAL  86          3HG1      VAL  86  -0.994 -11.829   1.850
  585   1HG2  VAL  86          3HG2      VAL  86   2.092 -11.489   0.961
  586   2HG2  VAL  86          1HG2      VAL  86   2.611 -11.380   2.656
  587   3HG2  VAL  86          2HG2      VAL  86   1.366 -12.547   2.189
  588    H    ILE  87           HN       ILE  87  -0.142  -7.459   0.330
  589    HA   ILE  87           HA       ILE  87  -1.868  -6.490   2.486
  590    HB   ILE  87           HB       ILE  87  -0.251  -4.870   2.500
  591   1HG1  ILE  87          2HG1      ILE  87  -2.639  -3.960   1.987
  592   2HG1  ILE  87          3HG1      ILE  87  -1.245  -2.880   1.992
  593   1HG2  ILE  87          1HG2      ILE  87   0.060  -4.972  -0.458
  594   2HG2  ILE  87          2HG2      ILE  87   0.738  -3.707   0.592
  595   3HG2  ILE  87          3HG2      ILE  87   1.244  -5.393   0.794
  596   1HD1  ILE  87           HD2      ILE  87  -2.099  -4.235  -0.547
  597   2HD1  ILE  87           HD3      ILE  87  -2.804  -2.704  -0.040
  598   3HD1  ILE  87           HD1      ILE  87  -1.068  -2.809  -0.323
  599    H    GLU  88           HN       GLU  88  -3.897  -5.743   1.761
  600    HA   GLU  88           HA       GLU  88  -4.692  -6.543  -1.025
  601   1HB   GLU  88          2HB       GLU  88  -6.479  -5.612   1.180
  602   2HB   GLU  88          3HB       GLU  88  -6.945  -6.504  -0.282
  603   1HG   GLU  88          2HG       GLU  88  -5.973  -8.539   0.695
  604   2HG   GLU  88          3HG       GLU  88  -5.382  -7.591   2.069
  605    H    THR  89           HN       THR  89  -4.784  -4.879  -2.502
  606    HA   THR  89           HA       THR  89  -4.605  -2.093  -1.644
  607    HB   THR  89           HB       THR  89  -4.976  -2.024  -4.338
  608    HG1  THR  89           HG1      THR  89  -5.275  -4.116  -4.841
  609   1HG2  THR  89          1HG2      THR  89  -2.516  -3.017  -2.871
  610   2HG2  THR  89          2HG2      THR  89  -2.533  -2.379  -4.534
  611   3HG2  THR  89          3HG2      THR  89  -2.943  -1.317  -3.169
  612    H    HIS  90           HN       HIS  90  -6.218  -0.561  -2.946
  613    HA   HIS  90           HA       HIS  90  -8.266   0.254  -3.342
  614   1HB   HIS  90          2HB       HIS  90  -9.482  -2.483  -3.651
  615   2HB   HIS  90          3HB       HIS  90  -9.753  -1.021  -4.602
  616    HD1  HIS  90           HND      HIS  90  -7.852  -0.721  -6.634
  617    HD2  HIS  90           HD       HIS  90  -7.627  -4.142  -4.211
  618    HE1  HIS  90           HE       HIS  90  -6.076  -2.285  -7.670
  619    H    LYS  91           HN       LYS  91  -7.789   0.291  -0.692
  620    HA   LYS  91           HA       LYS  91 -10.331  -0.615   0.633
  621   1HB   LYS  91          2HB       LYS  91  -7.570  -0.299   1.827
  622   2HB   LYS  91          3HB       LYS  91  -8.979  -0.954   2.635
  623   1HG   LYS  91          2HG       LYS  91  -7.689  -2.188   0.164
  624   2HG   LYS  91          3HG       LYS  91  -7.481  -2.746   1.811
  625   1HD   LYS  91          2HD       LYS  91  -9.619  -3.371   2.100
  626   2HD   LYS  91          3HD       LYS  91 -10.234  -2.609   0.653
  627   1HE   LYS  91          2HE       LYS  91  -9.538  -4.110  -0.833
  628   2HE   LYS  91          3HE       LYS  91  -8.163  -4.626   0.141
  629   1HZ   LYS  91          2HNZ      LYS  91 -10.902  -5.187   1.035
  630   2HZ   LYS  91          3HNZ      LYS  91 -10.131  -6.202  -0.034
  631   3HZ   LYS  91          1HNZ      LYS  91  -9.489  -5.962   1.443
  632    H    GLU  92           HN       GLU  92  -9.464   2.089  -0.645
  633    HA   GLU  92           HA       GLU  92  -9.398   4.111   1.257
  634   1HB   GLU  92          2HB       GLU  92  -9.376   4.353  -1.249
  635   2HB   GLU  92          3HB       GLU  92 -11.103   3.990  -1.290
  636   1HG   GLU  92          2HG       GLU  92 -10.998   6.327  -1.362
  637   2HG   GLU  92          3HG       GLU  92 -11.400   6.015   0.323
  638    H    GLU  93           HN       GLU  93 -12.388   2.803  -0.200
  639    HA   GLU  93           HA       GLU  93 -13.979   3.757   2.015
  640   1HB   GLU  93          2HB       GLU  93 -15.862   2.984   0.584
  641   2HB   GLU  93          3HB       GLU  93 -14.702   3.981  -0.292
  642   1HG   GLU  93          2HG       GLU  93 -13.670   1.531  -0.935
  643   2HG   GLU  93          3HG       GLU  93 -15.338   1.073  -0.616
  644    H    GLU  94           HN       GLU  94 -11.969   1.477   2.469
  645    HA   GLU  94           HA       GLU  94 -13.865  -0.165   4.059
  646   1HB   GLU  94          2HB       GLU  94 -11.173  -0.884   2.835
  647   2HB   GLU  94          3HB       GLU  94 -11.718  -1.578   4.344
  648   1HG   GLU  94          2HG       GLU  94 -13.840  -2.326   3.097
  649   2HG   GLU  94          3HG       GLU  94 -12.921  -1.985   1.623
  650    H    ILE  95           HN       ILE  95 -11.042   2.084   4.008
  651    HA   ILE  95           HA       ILE  95 -10.669   1.616   6.828
  652    HB   ILE  95           HB       ILE  95  -8.945   3.260   6.762
  653   1HG1  ILE  95          2HG1      ILE  95  -9.401   3.577   3.784
  654   2HG1  ILE  95          3HG1      ILE  95  -9.942   4.741   5.032
  655   1HG2  ILE  95          1HG2      ILE  95  -8.617   0.956   6.226
  656   2HG2  ILE  95          2HG2      ILE  95  -8.726   1.238   4.482
  657   3HG2  ILE  95          3HG2      ILE  95  -7.398   1.944   5.432
  658   1HD1  ILE  95           HD3      ILE  95  -7.052   3.972   4.750
  659   2HD1  ILE  95           HD1      ILE  95  -7.833   5.321   3.914
  660   3HD1  ILE  95           HD2      ILE  95  -7.794   5.282   5.696
  661    H    VAL  96           HN       VAL  96 -12.169   4.190   4.861
  662    HA   VAL  96           HA       VAL  96 -12.657   5.752   7.333
  663    HB   VAL  96           HB       VAL  96 -13.636   7.427   5.905
  664   1HG1  VAL  96          1HG1      VAL  96 -11.153   7.411   6.377
  665   2HG1  VAL  96          2HG1      VAL  96 -10.907   6.666   4.787
  666   3HG1  VAL  96          3HG1      VAL  96 -11.620   8.269   4.903
  667   1HG2  VAL  96          2HG2      VAL  96 -14.506   5.955   4.078
  668   2HG2  VAL  96          3HG2      VAL  96 -13.586   7.351   3.492
  669   3HG2  VAL  96          1HG2      VAL  96 -12.844   5.747   3.502
   
  No H/Q in entry =         668
  Start of MODEL   11
    1   1H    ALA   1          1HN       ALA   1  16.343  -5.879   1.275
    2   2H    ALA   1          2HN       ALA   1  16.194  -4.335   1.813
    3   2H    ALA   1          3HN       ALA   1  16.194  -4.335   1.813
    4    HA   ALA   1           HA       ALA   1  16.255  -3.488  -0.187
    5   1HB   ALA   1          2HB       ALA   1  18.581  -3.839  -0.326
    6   2HB   ALA   1          3HB       ALA   1  18.327  -5.491  -0.977
    7   3HB   ALA   1          1HB       ALA   1  17.769  -4.052  -1.885
    8    H    THR   2           HN       THR   2  14.898  -3.661  -1.784
    9    HA   THR   2           HA       THR   2  13.385  -4.433  -3.209
   10    HB   THR   2           HB       THR   2  15.706  -6.324  -3.749
   11    HG1  THR   2           HG1      THR   2  15.622  -3.511  -4.133
   12   1HG2  THR   2          3HG2      THR   2  13.843  -4.684  -5.529
   13   2HG2  THR   2          1HG2      THR   2  15.400  -5.313  -6.093
   14   3HG2  THR   2          2HG2      THR   2  14.152  -6.440  -5.556
   15    H    TYR   3           HN       TYR   3  11.792  -5.258  -1.763
   16    HA   TYR   3           HA       TYR   3  11.867  -8.164  -1.150
   17   1HB   TYR   3          2HB       TYR   3  10.118  -5.974   0.008
   18   2HB   TYR   3          3HB       TYR   3  10.209  -7.632   0.556
   19    HD1  TYR   3           HD1      TYR   3  12.938  -8.320   1.000
   20    HD2  TYR   3           HD2      TYR   3  11.120  -4.427   1.354
   21    HE1  TYR   3           HE1      TYR   3  14.841  -7.540   2.373
   22    HE2  TYR   3           HE2      TYR   3  12.866  -3.774   2.946
   23    HH   TYR   3           HOH      TYR   3  15.037  -4.102   3.379
   24    H    ASN   4           HN       ASN   4   9.872  -9.307  -1.139
   25    HA   ASN   4           HA       ASN   4   8.416  -9.023  -3.673
   26   1HB   ASN   4          2HB       ASN   4   9.490 -11.118  -2.882
   27   2HB   ASN   4          3HB       ASN   4   8.438 -11.155  -1.484
   28   1HD2  ASN   4          2HND      ASN   4   5.562 -12.234  -3.241
   29   2HD2  ASN   4          1HND      ASN   4   6.088 -11.069  -2.017
   30    H    VAL   5           HN       VAL   5   6.969  -7.272  -3.297
   31    HA   VAL   5           HA       VAL   5   5.262  -7.375  -0.873
   32    HB   VAL   5           HB       VAL   5   5.264  -5.344  -3.112
   33   1HG1  VAL   5          2HG1      VAL   5   3.891  -5.472  -0.370
   34   2HG1  VAL   5          3HG1      VAL   5   4.059  -3.982  -1.294
   35   3HG1  VAL   5          1HG1      VAL   5   3.136  -5.334  -1.955
   36   1HG2  VAL   5          3HG2      VAL   5   6.698  -5.303  -0.429
   37   2HG2  VAL   5          1HG2      VAL   5   7.419  -5.233  -2.042
   38   3HG2  VAL   5          2HG2      VAL   5   6.430  -3.883  -1.463
   39    H    LYS   6           HN       LYS   6   3.400  -8.639  -0.996
   40    HA   LYS   6           HA       LYS   6   2.133  -9.010  -3.637
   41   1HB   LYS   6          2HB       LYS   6   2.340 -10.897  -2.046
   42   2HB   LYS   6          3HB       LYS   6   1.274 -10.018  -0.955
   43   1HG   LYS   6          2HG       LYS   6  -0.485  -9.913  -2.823
   44   2HG   LYS   6          3HG       LYS   6   0.609 -10.851  -3.829
   45   1HD   LYS   6          2HD       LYS   6  -0.624 -11.785  -1.181
   46   2HD   LYS   6          3HD       LYS   6  -1.133 -12.183  -2.808
   47   1HE   LYS   6          2HE       LYS   6   1.411 -12.850  -3.116
   48   2HE   LYS   6          3HE       LYS   6   1.420 -12.983  -1.366
   49   1HZ   LYS   6          2HNZ      LYS   6  -0.472 -14.295  -3.267
   50   2HZ   LYS   6          3HNZ      LYS   6   0.891 -15.031  -2.710
   51   3HZ   LYS   6          1HNZ      LYS   6  -0.359 -14.661  -1.675
   52    H    LEU   7           HN       LEU   7   0.556  -7.888  -4.373
   53    HA   LEU   7           HA       LEU   7  -1.227  -6.310  -2.595
   54   1HB   LEU   7          2HB       LEU   7  -0.813  -5.893  -5.560
   55   2HB   LEU   7          3HB       LEU   7  -1.663  -4.869  -4.454
   56    HG   LEU   7           HG       LEU   7   1.328  -5.412  -4.521
   57   1HD1  LEU   7          1HD1      LEU   7   0.567  -4.093  -6.431
   58   2HD1  LEU   7          2HD1      LEU   7  -0.193  -2.928  -5.328
   59   3HD1  LEU   7          3HD1      LEU   7   1.565  -3.105  -5.355
   60   1HD2  LEU   7          1HD2      LEU   7   0.619  -4.841  -2.252
   61   2HD2  LEU   7          2HD2      LEU   7   1.580  -3.542  -2.953
   62   3HD2  LEU   7          3HD2      LEU   7  -0.181  -3.365  -2.842
   63    H    ILE   8           HN       ILE   8  -2.790  -7.696  -2.033
   64    HA   ILE   8           HA       ILE   8  -3.913  -9.591  -3.969
   65    HB   ILE   8           HB       ILE   8  -4.633  -8.781  -1.157
   66   1HG1  ILE   8          2HG1      ILE   8  -3.753 -11.509  -1.971
   67   2HG1  ILE   8          3HG1      ILE   8  -2.535 -10.243  -1.768
   68   1HG2  ILE   8          2HG2      ILE   8  -5.931 -10.863  -2.963
   69   2HG2  ILE   8          3HG2      ILE   8  -6.195 -10.752  -1.213
   70   3HG2  ILE   8          1HG2      ILE   8  -6.723  -9.438  -2.259
   71   1HD1  ILE   8           HD2      ILE   8  -4.537 -11.032   0.375
   72   2HD1  ILE   8           HD3      ILE   8  -2.837 -11.529   0.294
   73   3HD1  ILE   8           HD1      ILE   8  -3.244  -9.812   0.496
   74    H    THR   9           HN       THR   9  -4.290  -8.174  -5.677
   75    HA   THR   9           HA       THR   9  -6.206  -6.032  -5.425
   76    HB   THR   9           HB       THR   9  -6.114  -6.101  -7.878
   77    HG1  THR   9           HG1      THR   9  -5.629  -8.403  -8.102
   78   1HG2  THR   9          1HG2      THR   9  -3.350  -6.259  -6.562
   79   2HG2  THR   9          2HG2      THR   9  -3.674  -5.599  -8.168
   80   3HG2  THR   9          3HG2      THR   9  -4.350  -4.787  -6.749
   81    HA   PRO  10           HA       PRO  10  -9.922  -8.468  -5.763
   82   1HB   PRO  10          2HB       PRO  10 -10.949  -6.740  -7.903
   83   2HB   PRO  10          3HB       PRO  10 -11.628  -7.088  -6.276
   84   1HG   PRO  10          2HG       PRO  10 -10.445  -4.779  -7.030
   85   2HG   PRO  10          3HG       PRO  10 -10.389  -5.333  -5.340
   86   1HD   PRO  10          2HD       PRO  10  -8.274  -5.336  -7.344
   87   2HD   PRO  10          3HD       PRO  10  -8.157  -5.277  -5.615
   88    H    ASP  11           HN       ASP  11  -8.292  -7.519  -8.745
   89    HA   ASP  11           HA       ASP  11  -9.242  -9.276 -10.702
   90   1HB   ASP  11          2HB       ASP  11  -6.637  -7.823 -10.116
   91   2HB   ASP  11          3HB       ASP  11  -6.662  -9.050 -11.371
   92    H    GLY  12           HN       GLY  12  -7.166  -9.791  -7.948
   93   1HA   GLY  12          2HA       GLY  12  -7.149 -11.823  -6.939
   94   2HA   GLY  12          3HA       GLY  12  -7.036 -12.716  -8.477
   95    H    GLU  13           HN       GLU  13  -5.335 -10.195  -6.633
   96    HA   GLU  13           HA       GLU  13  -3.209  -9.826  -5.989
   97   1HB   GLU  13          2HB       GLU  13  -2.796 -12.692  -6.785
   98   2HB   GLU  13          3HB       GLU  13  -1.636 -11.716  -5.898
   99   1HG   GLU  13          2HG       GLU  13  -2.973 -11.575  -4.003
  100   2HG   GLU  13          3HG       GLU  13  -4.437 -12.156  -4.817
  101    H    VAL  14           HN       VAL  14  -1.082  -9.378  -6.682
  102    HA   VAL  14           HA       VAL  14  -0.452  -9.940  -9.559
  103    HB   VAL  14           HB       VAL  14   0.560  -7.687  -9.769
  104   1HG1  VAL  14          1HG1      VAL  14  -1.693  -8.240 -10.669
  105   2HG1  VAL  14          2HG1      VAL  14  -2.420  -7.640  -9.161
  106   3HG1  VAL  14          3HG1      VAL  14  -1.524  -6.536 -10.219
  107   1HG2  VAL  14          1HG2      VAL  14  -0.586  -7.380  -7.008
  108   2HG2  VAL  14          2HG2      VAL  14   0.903  -6.707  -7.678
  109   3HG2  VAL  14          3HG2      VAL  14  -0.677  -6.004  -8.085
  110    H    GLU  15           HN       GLU  15   1.088  -8.575  -6.681
  111    HA   GLU  15           HA       GLU  15   2.943  -9.074  -5.554
  112   1HB   GLU  15          2HB       GLU  15   2.120 -11.593  -6.316
  113   2HB   GLU  15          3HB       GLU  15   3.768 -11.538  -6.976
  114   1HG   GLU  15          2HG       GLU  15   4.745 -11.133  -4.895
  115   2HG   GLU  15          3HG       GLU  15   3.191 -10.860  -4.105
  116    H    PHE  16           HN       PHE  16   4.925  -8.147  -5.636
  117    HA   PHE  16           HA       PHE  16   6.540  -8.250  -8.043
  118   1HB   PHE  16          2HB       PHE  16   6.341  -6.124  -8.829
  119   2HB   PHE  16          3HB       PHE  16   4.714  -6.717  -8.751
  120    HD1  PHE  16           HD1      PHE  16   3.565  -6.167  -6.262
  121    HD2  PHE  16           HD2      PHE  16   6.919  -4.046  -7.976
  122    HE1  PHE  16           HE1      PHE  16   3.458  -4.522  -4.501
  123    HE2  PHE  16           HE2      PHE  16   6.652  -2.324  -6.287
  124    HZ   PHE  16           HZ       PHE  16   4.896  -2.439  -4.622
  125    H    LYS  17           HN       LYS  17   8.367  -6.514  -7.962
  126    HA   LYS  17           HA       LYS  17   9.466  -6.783  -5.267
  127   1HB   LYS  17          2HB       LYS  17  10.533  -7.245  -7.833
  128   2HB   LYS  17          3HB       LYS  17  11.316  -5.768  -7.283
  129   1HG   LYS  17          2HG       LYS  17  12.585  -7.725  -6.642
  130   2HG   LYS  17          3HG       LYS  17  11.986  -6.880  -5.184
  131   1HD   LYS  17          2HD       LYS  17  10.518  -8.605  -4.620
  132   2HD   LYS  17          3HD       LYS  17  10.216  -8.976  -6.303
  133   1HE   LYS  17          2HE       LYS  17  11.410 -10.861  -5.289
  134   2HE   LYS  17          3HE       LYS  17  12.526 -10.057  -6.395
  135   1HZ   LYS  17          2HNZ      LYS  17  13.287  -8.814  -4.265
  136   2HZ   LYS  17          3HNZ      LYS  17  12.470  -9.945  -3.455
  137   3HZ   LYS  17          1HNZ      LYS  17  13.710 -10.403  -4.426
  138    H    CYS  18           HN       CYS  18   9.701  -5.145  -3.918
  139    HA   CYS  18           HA       CYS  18   9.873  -2.366  -5.047
  140   1HB   CYS  18          2HB       CYS  18   7.604  -2.818  -4.211
  141   2HB   CYS  18          3HB       CYS  18   8.345  -3.158  -2.641
  142    HG   CYS  18           HSG      CYS  18   7.474  -0.637  -2.630
  143    H    ASP  19           HN       ASP  19  11.546  -1.206  -4.375
  144    HA   ASP  19           HA       ASP  19  13.500  -2.370  -2.596
  145   1HB   ASP  19          2HB       ASP  19  13.430   0.410  -3.819
  146   2HB   ASP  19          3HB       ASP  19  14.816  -0.417  -3.099
  147    H    ASP  20           HN       ASP  20  14.323  -1.366  -0.657
  148    HA   ASP  20           HA       ASP  20  12.072  -0.584   1.017
  149   1HB   ASP  20          2HB       ASP  20  14.170  -0.466   2.744
  150   2HB   ASP  20          3HB       ASP  20  13.262  -1.894   2.274
  151    H    ASP  21           HN       ASP  21  14.002   1.135  -1.023
  152    HA   ASP  21           HA       ASP  21  13.603   3.704   0.457
  153   1HB   ASP  21          2HB       ASP  21  15.747   2.844  -1.538
  154   2HB   ASP  21          3HB       ASP  21  15.450   4.524  -1.088
  155    H    VAL  22           HN       VAL  22  11.727   2.026  -1.485
  156    HA   VAL  22           HA       VAL  22  11.022   4.457  -3.011
  157    HB   VAL  22           HB       VAL  22  12.463   2.817  -4.399
  158   1HG1  VAL  22          1HG1      VAL  22  11.113   0.792  -3.641
  159   2HG1  VAL  22          2HG1      VAL  22   9.847   1.339  -4.752
  160   3HG1  VAL  22          3HG1      VAL  22  11.470   0.937  -5.368
  161   1HG2  VAL  22          3HG2      VAL  22  11.124   4.692  -5.356
  162   2HG2  VAL  22          1HG2      VAL  22  11.210   3.275  -6.421
  163   3HG2  VAL  22          2HG2      VAL  22   9.731   3.589  -5.500
  164    H    TYR  23           HN       TYR  23   8.796   4.432  -3.804
  165    HA   TYR  23           HA       TYR  23   7.103   3.456  -1.685
  166   1HB   TYR  23          2HB       TYR  23   6.412   4.851  -4.256
  167   2HB   TYR  23          3HB       TYR  23   5.304   4.596  -2.933
  168    HD1  TYR  23           HD1      TYR  23   6.654   5.466  -0.534
  169    HD2  TYR  23           HD2      TYR  23   6.832   7.104  -4.519
  170    HE1  TYR  23           HE1      TYR  23   6.753   7.755   0.401
  171    HE2  TYR  23           HE2      TYR  23   7.080   9.379  -3.564
  172    HH   TYR  23           HOH      TYR  23   6.706  10.060  -0.088
  173    H    VAL  24           HN       VAL  24   5.543   1.868  -1.793
  174    HA   VAL  24           HA       VAL  24   5.741  -0.346  -3.460
  175    HB   VAL  24           HB       VAL  24   3.096   0.578  -2.285
  176   1HG1  VAL  24          1HG1      VAL  24   3.068  -1.484  -3.715
  177   2HG1  VAL  24          2HG1      VAL  24   4.312  -2.167  -2.605
  178   3HG1  VAL  24          3HG1      VAL  24   2.688  -1.796  -2.013
  179   1HG2  VAL  24          1HG2      VAL  24   5.548  -0.575  -0.929
  180   2HG2  VAL  24          2HG2      VAL  24   4.425   0.710  -0.398
  181   3HG2  VAL  24          3HG2      VAL  24   3.914  -0.963  -0.338
  182    H    LEU  25           HN       LEU  25   3.223   2.192  -3.890
  183    HA   LEU  25           HA       LEU  25   2.116   1.262  -6.273
  184   1HB   LEU  25          2HB       LEU  25   0.987   3.007  -5.215
  185   2HB   LEU  25          3HB       LEU  25   2.470   3.985  -5.070
  186    HG   LEU  25           HG       LEU  25   2.308   4.259  -7.671
  187   1HD1  LEU  25          3HD1      LEU  25   0.598   2.460  -8.007
  188   2HD1  LEU  25          1HD1      LEU  25  -0.550   3.408  -7.032
  189   3HD1  LEU  25          2HD1      LEU  25   0.051   4.052  -8.567
  190   1HD2  LEU  25          1HD2      LEU  25   1.938   6.032  -6.039
  191   2HD2  LEU  25          2HD2      LEU  25   0.866   6.112  -7.441
  192   3HD2  LEU  25          3HD2      LEU  25   0.243   5.521  -5.873
  193    H    ASP  26           HN       ASP  26   4.837   3.565  -5.946
  194    HA   ASP  26           HA       ASP  26   5.013   4.238  -8.637
  195   1HB   ASP  26          2HB       ASP  26   6.336   4.922  -6.314
  196   2HB   ASP  26          3HB       ASP  26   7.640   4.167  -7.227
  197    H    GLN  27           HN       GLN  27   6.941   1.762  -6.888
  198    HA   GLN  27           HA       GLN  27   8.133   0.615  -9.224
  199   1HB   GLN  27          2HB       GLN  27   7.718  -0.264  -6.384
  200   2HB   GLN  27          3HB       GLN  27   8.092  -1.504  -7.601
  201   1HG   GLN  27          2HG       GLN  27   9.802   0.965  -7.285
  202   2HG   GLN  27          3HG       GLN  27  10.081  -0.546  -6.401
  203   1HE2  GLN  27          2HNE      GLN  27  10.880  -2.443  -9.421
  204   2HE2  GLN  27          1HNE      GLN  27   9.922  -2.646  -7.970
  205    H    ALA  28           HN       ALA  28   5.046  -0.189  -7.522
  206    HA   ALA  28           HA       ALA  28   4.327  -2.445  -9.074
  207   1HB   ALA  28          2HB       ALA  28   3.140  -1.158  -7.040
  208   2HB   ALA  28          3HB       ALA  28   2.196  -0.467  -8.387
  209   3HB   ALA  28          1HB       ALA  28   2.273  -2.224  -8.114
  210    H    GLU  29           HN       GLU  29   3.487   0.999  -9.794
  211    HA   GLU  29           HA       GLU  29   2.351   0.376 -12.306
  212   1HB   GLU  29          2HB       GLU  29   3.493   2.971 -11.196
  213   2HB   GLU  29          3HB       GLU  29   2.856   2.835 -12.841
  214   1HG   GLU  29          2HG       GLU  29   0.693   1.972 -11.939
  215   2HG   GLU  29          3HG       GLU  29   1.287   2.260 -10.300
  216    H    GLU  30           HN       GLU  30   5.784   1.174 -11.426
  217    HA   GLU  30           HA       GLU  30   6.853   1.026 -14.043
  218   1HB   GLU  30          2HB       GLU  30   8.110   0.137 -11.450
  219   2HB   GLU  30          3HB       GLU  30   8.944   0.204 -12.985
  220   1HG   GLU  30          2HG       GLU  30   7.530   2.707 -12.049
  221   2HG   GLU  30          3HG       GLU  30   9.058   2.236 -11.299
  222    H    GLU  31           HN       GLU  31   5.824  -1.682 -11.966
  223    HA   GLU  31           HA       GLU  31   6.796  -3.618 -13.941
  224   1HB   GLU  31          2HB       GLU  31   4.828  -4.107 -11.693
  225   2HB   GLU  31          3HB       GLU  31   5.833  -5.273 -12.552
  226   1HG   GLU  31          2HG       GLU  31   7.560  -3.182 -11.546
  227   2HG   GLU  31          3HG       GLU  31   6.420  -3.537 -10.279
  228    H    GLY  32           HN       GLY  32   3.932  -1.789 -13.381
  229   1HA   GLY  32          2HA       GLY  32   2.461  -1.350 -15.286
  230   2HA   GLY  32          3HA       GLY  32   2.490  -3.072 -15.693
  231    H    ILE  33           HN       ILE  33   2.429  -2.488 -12.288
  232    HA   ILE  33           HA       ILE  33  -0.226  -3.654 -12.111
  233    HB   ILE  33           HB       ILE  33   1.711  -2.584 -10.078
  234   1HG1  ILE  33          2HG1      ILE  33   1.015  -5.417 -10.833
  235   2HG1  ILE  33          3HG1      ILE  33   2.483  -4.532 -11.343
  236   1HG2  ILE  33          1HG2      ILE  33  -1.052  -3.760  -9.786
  237   2HG2  ILE  33          2HG2      ILE  33   0.146  -4.063  -8.534
  238   3HG2  ILE  33          3HG2      ILE  33  -0.248  -2.407  -8.937
  239   1HD1  ILE  33           HD1      ILE  33   2.093  -4.828  -8.392
  240   2HD1  ILE  33           HD2      ILE  33   2.699  -6.160  -9.388
  241   3HD1  ILE  33           HD3      ILE  33   3.529  -4.590  -9.384
  242    H    ASP  34           HN       ASP  34  -2.053  -2.621 -12.099
  243    HA   ASP  34           HA       ASP  34  -2.331   0.290 -11.553
  244   1HB   ASP  34          2HB       ASP  34  -3.425  -0.665 -13.561
  245   2HB   ASP  34          3HB       ASP  34  -4.239  -1.880 -12.564
  246    H    ILE  35           HN       ILE  35  -2.754   0.976  -9.539
  247    HA   ILE  35           HA       ILE  35  -4.744  -0.498  -8.011
  248    HB   ILE  35           HB       ILE  35  -3.522  -0.211  -5.910
  249   1HG1  ILE  35          2HG1      ILE  35  -1.160   0.684  -7.601
  250   2HG1  ILE  35          3HG1      ILE  35  -2.053   1.624  -6.391
  251   1HG2  ILE  35          1HG2      ILE  35  -3.497  -2.345  -7.140
  252   2HG2  ILE  35          2HG2      ILE  35  -2.000  -1.847  -7.938
  253   3HG2  ILE  35          3HG2      ILE  35  -2.023  -2.123  -6.205
  254   1HD1  ILE  35           HD2      ILE  35  -1.324  -0.124  -4.659
  255   2HD1  ILE  35           HD3      ILE  35  -0.182  -0.704  -5.901
  256   3HD1  ILE  35           HD1      ILE  35  -0.069   0.945  -5.293
  257    HA   PRO  36           HA       PRO  36  -6.465   3.401  -7.954
  258   1HB   PRO  36          2HB       PRO  36  -7.793   3.587  -5.502
  259   2HB   PRO  36          3HB       PRO  36  -8.345   2.675  -6.939
  260   1HG   PRO  36          2HG       PRO  36  -6.852   1.626  -4.547
  261   2HG   PRO  36          3HG       PRO  36  -8.272   0.926  -5.406
  262   1HD   PRO  36          2HD       PRO  36  -5.759   0.056  -5.871
  263   2HD   PRO  36          3HD       PRO  36  -6.934   0.215  -7.223
  264    H    TYR  37           HN       TYR  37  -5.652   5.410  -7.712
  265    HA   TYR  37           HA       TYR  37  -4.330   6.460  -5.371
  266   1HB   TYR  37          2HB       TYR  37  -2.305   5.595  -5.855
  267   2HB   TYR  37          3HB       TYR  37  -2.864   4.876  -7.345
  268    HD1  TYR  37           HD1      TYR  37  -1.198   7.801  -5.885
  269    HD2  TYR  37           HD2      TYR  37  -2.492   5.867  -9.512
  270    HE1  TYR  37           HE1      TYR  37   0.326   9.233  -7.215
  271    HE2  TYR  37           HE2      TYR  37  -1.053   7.385 -10.837
  272    HH   TYR  37           HOH      TYR  37   0.934   9.933  -9.282
  273    H    SER  38           HN       SER  38  -4.242   8.748  -5.677
  274    HA   SER  38           HA       SER  38  -5.022   9.926  -8.255
  275   1HB   SER  38          2HB       SER  38  -7.131  10.896  -7.237
  276   2HB   SER  38          3HB       SER  38  -7.153   9.157  -7.554
  277    HG   SER  38           HOG      SER  38  -6.544   8.899  -5.287
  278    H    CYS  39           HN       CYS  39  -2.900  10.233  -5.982
  279    HA   CYS  39           HA       CYS  39  -2.213  12.842  -6.535
  280   1HB   CYS  39          2HB       CYS  39  -2.772  14.127  -4.862
  281   2HB   CYS  39          3HB       CYS  39  -4.101  13.026  -4.570
  282    H    ARG  40           HN       ARG  40  -0.292  13.199  -4.507
  283    HA   ARG  40           HA       ARG  40   0.463  10.845  -3.336
  284   1HB   ARG  40          2HB       ARG  40   1.469  10.627  -5.902
  285   2HB   ARG  40          3HB       ARG  40   2.827  11.355  -5.119
  286   1HG   ARG  40          2HG       ARG  40   1.979   9.325  -3.317
  287   2HG   ARG  40          3HG       ARG  40   1.720   8.627  -4.900
  288   1HD   ARG  40          2HD       ARG  40   4.336   9.689  -3.709
  289   2HD   ARG  40          3HD       ARG  40   3.858   8.019  -3.937
  290    HE   ARG  40           HNE      ARG  40   4.290   8.030  -6.188
  291   1HH1  ARG  40          2HN2      ARG  40   4.845  11.279  -4.905
  292   2HH1  ARG  40          1HN2      ARG  40   6.032  11.698  -6.101
  293   1HH2  ARG  40          2HN1      ARG  40   5.912   8.496  -7.658
  294   2HH2  ARG  40          1HN1      ARG  40   6.575  10.097  -7.807
  295    H    ALA  41           HN       ALA  41   0.216  12.478  -1.727
  296    HA   ALA  41           HA       ALA  41   2.825  13.809  -1.139
  297   1HB   ALA  41          1HB       ALA  41   0.127  15.221  -1.018
  298   2HB   ALA  41          2HB       ALA  41   1.671  15.847  -0.393
  299   3HB   ALA  41          3HB       ALA  41   1.467  15.565  -2.132
  300    H    GLY  42           HN       GLY  42  -0.426  13.664   0.411
  301   1HA   GLY  42          2HA       GLY  42  -0.503  11.909   2.274
  302   2HA   GLY  42          3HA       GLY  42   0.895  12.775   2.952
  303    H    SER  43           HN       SER  43  -2.489  12.937   2.003
  304    HA   SER  43           HA       SER  43  -3.306  14.790   3.997
  305   1HB   SER  43          2HB       SER  43  -3.810  16.728   2.399
  306   2HB   SER  43          3HB       SER  43  -2.123  16.534   2.882
  307    HG   SER  43           HOG      SER  43  -3.279  15.687   0.422
  308    H    CYS  44           HN       CYS  44  -3.875  13.484   0.679
  309    HA   CYS  44           HA       CYS  44  -6.672  14.004   0.748
  310   1HB   CYS  44          2HB       CYS  44  -6.809  12.996  -1.227
  311   2HB   CYS  44          3HB       CYS  44  -5.102  13.413  -1.273
  312    H    SER  45           HN       SER  45  -8.381  12.408   0.914
  313    HA   SER  45           HA       SER  45  -7.833  10.266   2.920
  314   1HB   SER  45          2HB       SER  45 -10.210  10.561   3.524
  315   2HB   SER  45          3HB       SER  45  -9.248  12.027   3.803
  316    HG   SER  45           HOG      SER  45 -10.827  11.476   1.508
  317    H    SER  46           HN       SER  46  -7.101   9.046   0.917
  318    HA   SER  46           HA       SER  46  -9.316   7.513  -0.168
  319   1HB   SER  46          2HB       SER  46  -7.501   9.191  -1.971
  320   2HB   SER  46          3HB       SER  46  -8.605   7.940  -2.566
  321    HG   SER  46           HOG      SER  46  -9.981   9.544  -0.955
  322    H    CYS  47           HN       CYS  47  -7.557   6.294  -2.227
  323    HA   CYS  47           HA       CYS  47  -5.975   4.683  -2.425
  324   1HB   CYS  47          2HB       CYS  47  -3.811   5.665  -2.302
  325   2HB   CYS  47          3HB       CYS  47  -4.996   6.795  -2.954
  326    H    ALA  48           HN       ALA  48  -6.488   2.883  -1.059
  327    HA   ALA  48           HA       ALA  48  -4.558   2.572   1.120
  328   1HB   ALA  48          2HB       ALA  48  -7.545   2.545   1.699
  329   2HB   ALA  48          3HB       ALA  48  -6.267   2.050   2.832
  330   3HB   ALA  48          1HB       ALA  48  -6.355   3.733   2.280
  331    H    GLY  49           HN       GLY  49  -4.594   0.522   2.156
  332   1HA   GLY  49          2HA       GLY  49  -5.844  -1.678   0.746
  333   2HA   GLY  49          3HA       GLY  49  -4.071  -1.646   0.761
  334    H    LYS  50           HN       LYS  50  -5.601  -3.734   2.034
  335    HA   LYS  50           HA       LYS  50  -5.474  -3.221   4.874
  336   1HB   LYS  50          2HB       LYS  50  -7.322  -4.336   3.423
  337   2HB   LYS  50          3HB       LYS  50  -6.358  -5.806   3.564
  338   1HG   LYS  50          2HG       LYS  50  -6.578  -5.809   5.977
  339   2HG   LYS  50          3HG       LYS  50  -7.176  -4.133   5.964
  340   1HD   LYS  50          2HD       LYS  50  -9.074  -4.848   4.535
  341   2HD   LYS  50          3HD       LYS  50  -8.632  -6.545   4.838
  342   1HE   LYS  50          2HE       LYS  50  -8.991  -6.321   7.226
  343   2HE   LYS  50          3HE       LYS  50  -9.045  -4.574   7.148
  344   1HZ   LYS  50          3HNZ      LYS  50 -11.113  -6.211   5.858
  345   2HZ   LYS  50          1HNZ      LYS  50 -11.246  -5.518   7.354
  346   3HZ   LYS  50          2HNZ      LYS  50 -11.070  -4.570   6.034
  347    H    VAL  51           HN       VAL  51  -3.601  -3.754   5.982
  348    HA   VAL  51           HA       VAL  51  -1.431  -5.294   4.860
  349    HB   VAL  51           HB       VAL  51  -2.058  -4.599   7.795
  350   1HG1  VAL  51          3HG1      VAL  51  -0.323  -6.346   7.587
  351   2HG1  VAL  51          1HG1      VAL  51   0.618  -5.287   6.505
  352   3HG1  VAL  51          2HG1      VAL  51   0.330  -4.825   8.200
  353   1HG2  VAL  51          3HG2      VAL  51  -0.484  -3.024   5.746
  354   2HG2  VAL  51          1HG2      VAL  51  -1.941  -2.514   6.657
  355   3HG2  VAL  51          2HG2      VAL  51  -0.410  -2.695   7.492
  356    H    VAL  52           HN       VAL  52  -1.516  -7.451   4.534
  357    HA   VAL  52           HA       VAL  52  -3.272  -9.159   6.230
  358    HB   VAL  52           HB       VAL  52  -1.560  -9.701   3.815
  359   1HG1  VAL  52          2HG1      VAL  52  -3.555 -11.528   5.224
  360   2HG1  VAL  52          3HG1      VAL  52  -2.772 -11.875   3.667
  361   3HG1  VAL  52          1HG1      VAL  52  -1.796 -11.776   5.134
  362   1HG2  VAL  52          2HG2      VAL  52  -4.553  -9.278   4.150
  363   2HG2  VAL  52          3HG2      VAL  52  -3.412  -8.341   3.158
  364   3HG2  VAL  52          1HG2      VAL  52  -3.833  -9.996   2.701
  365    H    SER  53           HN       SER  53   0.219  -8.753   5.324
  366    HA   SER  53           HA       SER  53   1.059  -9.666   7.931
  367   1HB   SER  53          2HB       SER  53   0.559 -11.858   6.659
  368   2HB   SER  53          3HB       SER  53   1.886 -11.420   5.574
  369    HG   SER  53           HOG      SER  53   1.957 -11.971   8.356
  370    H    GLY  54           HN       GLY  54   3.578  -9.964   7.757
  371   1HA   GLY  54          2HA       GLY  54   5.617  -8.835   7.393
  372   2HA   GLY  54          3HA       GLY  54   4.979  -8.229   5.890
  373    H    SER  55           HN       SER  55   6.236  -6.270   6.681
  374    HA   SER  55           HA       SER  55   4.318  -4.394   7.898
  375   1HB   SER  55          2HB       SER  55   7.235  -4.418   8.719
  376   2HB   SER  55          3HB       SER  55   5.911  -3.480   9.414
  377    HG   SER  55           HOG      SER  55   6.496  -5.342  10.690
  378    H    ILE  56           HN       ILE  56   4.715  -2.248   7.221
  379    HA   ILE  56           HA       ILE  56   6.874  -1.647   5.354
  380    HB   ILE  56           HB       ILE  56   5.351  -0.373   3.930
  381   1HG1  ILE  56          2HG1      ILE  56   3.062  -1.632   5.454
  382   2HG1  ILE  56          3HG1      ILE  56   3.493   0.079   5.380
  383   1HG2  ILE  56          3HG2      ILE  56   5.767  -3.111   3.748
  384   2HG2  ILE  56          1HG2      ILE  56   4.016  -2.942   3.555
  385   3HG2  ILE  56          2HG2      ILE  56   5.097  -2.064   2.481
  386   1HD1  ILE  56           HD1      ILE  56   3.286  -0.430   2.708
  387   2HD1  ILE  56           HD2      ILE  56   2.146  -1.630   3.328
  388   3HD1  ILE  56           HD3      ILE  56   1.927   0.092   3.702
  389    H    ASP  57           HN       ASP  57   6.984   0.808   5.193
  390    HA   ASP  57           HA       ASP  57   6.184   2.107   7.769
  391   1HB   ASP  57          2HB       ASP  57   8.600   2.037   7.612
  392   2HB   ASP  57          3HB       ASP  57   8.563   2.527   5.911
  393    H    GLN  58           HN       GLN  58   4.284   3.116   7.298
  394    HA   GLN  58           HA       GLN  58   4.227   4.881   4.880
  395   1HB   GLN  58          2HB       GLN  58   1.776   4.899   5.398
  396   2HB   GLN  58          3HB       GLN  58   2.423   3.374   4.772
  397   1HG   GLN  58          2HG       GLN  58   2.426   2.356   6.957
  398   2HG   GLN  58          3HG       GLN  58   2.146   3.930   7.733
  399   1HE2  GLN  58          2HNE      GLN  58  -1.121   2.359   7.820
  400   2HE2  GLN  58          1HNE      GLN  58   0.467   2.217   8.576
  401    H    SER  59           HN       SER  59   5.890   5.551   7.150
  402    HA   SER  59           HA       SER  59   4.756   7.440   8.834
  403   1HB   SER  59          2HB       SER  59   7.141   6.809   8.852
  404   2HB   SER  59          3HB       SER  59   7.391   7.593   7.286
  405    HG   SER  59           HOG      SER  59   6.534   8.878   9.684
  406    H    ASP  60           HN       ASP  60   5.616   7.771   5.399
  407    HA   ASP  60           HA       ASP  60   5.003  10.577   5.220
  408   1HB   ASP  60          2HB       ASP  60   6.795   9.229   3.987
  409   2HB   ASP  60          3HB       ASP  60   5.492   8.534   3.004
  410    H    GLN  61           HN       GLN  61   2.754   9.268   6.185
  411    HA   GLN  61           HA       GLN  61   0.801   8.945   3.966
  412   1HB   GLN  61          2HB       GLN  61   1.048   7.046   5.375
  413   2HB   GLN  61          3HB       GLN  61   0.894   8.007   6.861
  414   1HG   GLN  61          2HG       GLN  61  -1.471   8.441   6.354
  415   2HG   GLN  61          3HG       GLN  61  -1.290   7.634   4.797
  416   1HE2  GLN  61          2HNE      GLN  61  -1.290   5.296   8.212
  417   2HE2  GLN  61          1HNE      GLN  61  -0.957   6.996   8.397
  418    H    SER  62           HN       SER  62   0.534  10.109   7.356
  419    HA   SER  62           HA       SER  62  -0.892  11.631   8.263
  420   1HB   SER  62          2HB       SER  62   0.829  13.049   6.937
  421   2HB   SER  62          3HB       SER  62  -0.492  13.345   5.798
  422    HG   SER  62           HOG      SER  62  -0.545  14.945   7.331
  423    H    PHE  63           HN       PHE  63  -2.470   9.775   7.602
  424    HA   PHE  63           HA       PHE  63  -4.891  11.063   6.934
  425   1HB   PHE  63          2HB       PHE  63  -4.460  10.792   4.614
  426   2HB   PHE  63          3HB       PHE  63  -3.863   9.148   4.841
  427    HD1  PHE  63           HD1      PHE  63  -7.065  10.467   6.363
  428    HD2  PHE  63           HD2      PHE  63  -5.292   8.135   3.174
  429    HE1  PHE  63           HE1      PHE  63  -9.136   9.172   6.153
  430    HE2  PHE  63           HE2      PHE  63  -7.382   6.848   2.998
  431    HZ   PHE  63           HZ       PHE  63  -9.276   7.304   4.507
  432    H    LEU  64           HN       LEU  64  -3.709   7.572   6.770
  433    HA   LEU  64           HA       LEU  64  -6.102   6.670   7.872
  434   1HB   LEU  64          2HB       LEU  64  -3.446   5.341   7.697
  435   2HB   LEU  64          3HB       LEU  64  -4.636   4.633   8.719
  436    HG   LEU  64           HG       LEU  64  -6.276   4.480   6.929
  437   1HD1  LEU  64          1HD1      LEU  64  -4.167   5.907   5.299
  438   2HD1  LEU  64          2HD1      LEU  64  -5.452   4.936   4.545
  439   3HD1  LEU  64          3HD1      LEU  64  -5.861   6.340   5.545
  440   1HD2  LEU  64          1HD2      LEU  64  -4.727   2.713   7.379
  441   2HD2  LEU  64          2HD2      LEU  64  -5.104   2.781   5.637
  442   3HD2  LEU  64          3HD2      LEU  64  -3.540   3.401   6.238
  443    H    ASP  65           HN       ASP  65  -6.747   5.992   9.842
  444    HA   ASP  65           HA       ASP  65  -5.653   7.472  12.150
  445   1HB   ASP  65          2HB       ASP  65  -8.054   5.622  11.988
  446   2HB   ASP  65          3HB       ASP  65  -7.635   6.683  13.339
  447    H    ASP  66           HN       ASP  66  -5.281   6.339  14.200
  448    HA   ASP  66           HA       ASP  66  -3.469   4.185  14.061
  449   1HB   ASP  66          2HB       ASP  66  -5.235   5.135  16.371
  450   2HB   ASP  66          3HB       ASP  66  -3.840   4.055  16.514
  451    H    GLU  67           HN       GLU  67  -6.964   4.363  14.638
  452    HA   GLU  67           HA       GLU  67  -7.500   1.710  15.274
  453   1HB   GLU  67          2HB       GLU  67  -9.495   3.151  13.514
  454   2HB   GLU  67          3HB       GLU  67  -9.695   2.252  15.013
  455   1HG   GLU  67          2HG       GLU  67  -8.498   4.258  16.127
  456   2HG   GLU  67          3HG       GLU  67  -8.845   5.104  14.601
  457    H    GLN  68           HN       GLN  68  -7.844   3.244  12.021
  458    HA   GLN  68           HA       GLN  68  -8.221   0.965  10.515
  459   1HB   GLN  68          2HB       GLN  68  -6.742   3.509   9.810
  460   2HB   GLN  68          3HB       GLN  68  -7.318   2.332   8.628
  461   1HG   GLN  68          2HG       GLN  68  -9.593   2.630   9.167
  462   2HG   GLN  68          3HG       GLN  68  -9.227   3.601  10.593
  463   1HE2  GLN  68          2HNE      GLN  68 -10.181   5.864   7.829
  464   2HE2  GLN  68          1HNE      GLN  68 -10.957   4.458   8.510
  465    H    MET  69           HN       MET  69  -4.995   2.497  11.297
  466    HA   MET  69           HA       MET  69  -3.401   0.593   9.989
  467   1HB   MET  69          2HB       MET  69  -2.860   2.168  12.529
  468   2HB   MET  69          3HB       MET  69  -1.668   1.215  11.636
  469   1HG   MET  69          2HG       MET  69  -2.182   2.575   9.577
  470   2HG   MET  69          3HG       MET  69  -3.268   3.525  10.561
  471   1HE   MET  69           HE2      MET  69  -2.317   5.719  10.082
  472   2HE   MET  69           HE3      MET  69  -2.560   5.587  11.838
  473   3HE   MET  69           HE1      MET  69  -1.108   6.395  11.203
  474    H    ASP  70           HN       ASP  70  -4.358   0.519  13.452
  475    HA   ASP  70           HA       ASP  70  -3.158  -1.958  14.108
  476   1HB   ASP  70          2HB       ASP  70  -4.012  -0.255  15.740
  477   2HB   ASP  70          3HB       ASP  70  -5.665  -0.658  15.272
  478    H    ALA  71           HN       ALA  71  -6.346  -1.126  12.936
  479    HA   ALA  71           HA       ALA  71  -7.641  -3.660  13.055
  480   1HB   ALA  71          2HB       ALA  71  -8.076  -1.242  11.270
  481   2HB   ALA  71          3HB       ALA  71  -9.235  -2.579  11.454
  482   3HB   ALA  71          1HB       ALA  71  -8.845  -1.531  12.838
  483    H    GLY  72           HN       GLY  72  -5.224  -2.402  10.850
  484   1HA   GLY  72          2HA       GLY  72  -3.949  -4.097   9.749
  485   2HA   GLY  72          3HA       GLY  72  -5.418  -4.918   9.262
  486    H    TYR  73           HN       TYR  73  -4.990  -1.323   9.086
  487    HA   TYR  73           HA       TYR  73  -5.012  -1.606   6.109
  488   1HB   TYR  73          2HB       TYR  73  -6.256   0.514   7.830
  489   2HB   TYR  73          3HB       TYR  73  -6.107   0.582   6.085
  490    HD1  TYR  73           HD2      TYR  73  -7.111  -1.206   4.621
  491    HD2  TYR  73           HD1      TYR  73  -8.081  -0.815   8.804
  492    HE1  TYR  73           HE2      TYR  73  -9.245  -2.380   4.244
  493    HE2  TYR  73           HE1      TYR  73 -10.237  -1.936   8.409
  494    HH   TYR  73           HOH      TYR  73 -11.338  -2.856   5.130
  495    H    VAL  74           HN       VAL  74  -4.154   0.092   4.831
  496    HA   VAL  74           HA       VAL  74  -1.879   1.558   5.859
  497    HB   VAL  74           HB       VAL  74  -1.716  -1.159   5.019
  498   1HG1  VAL  74          1HG1      VAL  74  -1.703  -0.509   2.684
  499   2HG1  VAL  74          2HG1      VAL  74  -0.256   0.493   2.968
  500   3HG1  VAL  74          3HG1      VAL  74  -0.191  -1.256   3.207
  501   1HG2  VAL  74          3HG2      VAL  74  -0.314  -0.033   6.720
  502   2HG2  VAL  74          1HG2      VAL  74   0.631  -0.979   5.561
  503   3HG2  VAL  74          2HG2      VAL  74   0.568   0.781   5.406
  504    H    LEU  75           HN       LEU  75  -0.892   2.824   4.125
  505    HA   LEU  75           HA       LEU  75  -2.850   3.904   2.309
  506   1HB   LEU  75          2HB       LEU  75  -0.814   4.929   3.768
  507   2HB   LEU  75          3HB       LEU  75   0.086   4.676   2.306
  508    HG   LEU  75           HG       LEU  75  -0.776   6.928   2.570
  509   1HD1  LEU  75          3HD1      LEU  75  -0.437   5.871   0.320
  510   2HD1  LEU  75          1HD1      LEU  75  -2.184   5.560   0.265
  511   3HD1  LEU  75          2HD1      LEU  75  -1.573   7.228   0.351
  512   1HD2  LEU  75          2HD2      LEU  75  -3.243   5.765   3.357
  513   2HD2  LEU  75          3HD2      LEU  75  -2.835   7.483   3.226
  514   3HD2  LEU  75          1HD2      LEU  75  -3.553   6.652   1.862
  515    H    THR  76           HN       THR  76   0.385   2.447   1.827
  516    HA   THR  76           HA       THR  76   1.224   1.154   0.188
  517    HB   THR  76           HB       THR  76  -1.219   1.274  -1.589
  518    HG1  THR  76           HG1      THR  76  -2.113   0.794   0.335
  519   1HG2  THR  76          1HG2      THR  76   0.769  -0.920  -0.881
  520   2HG2  THR  76          2HG2      THR  76  -0.552  -1.037  -2.058
  521   3HG2  THR  76          3HG2      THR  76   0.794   0.073  -2.364
  522    H    CYS  77           HN       CYS  77  -0.897   3.667  -1.246
  523    HA   CYS  77           HA       CYS  77   0.373   4.319  -3.539
  524   1HB   CYS  77          2HB       CYS  77  -1.273   5.748  -3.569
  525   2HB   CYS  77          3HB       CYS  77  -1.540   5.503  -1.864
  526    H    HIS  78           HN       HIS  78   1.426   5.434  -0.350
  527    HA   HIS  78           HA       HIS  78   4.139   5.767  -1.451
  528   1HB   HIS  78          2HB       HIS  78   4.402   7.961  -0.214
  529   2HB   HIS  78          3HB       HIS  78   3.420   7.973  -1.674
  530    HD1  HIS  78           HND      HIS  78   2.387  10.253  -0.693
  531    HD2  HIS  78           HD       HIS  78   1.624   6.729   1.480
  532    HE1  HIS  78           HE       HIS  78   0.402  10.713   0.791
  533    H    ALA  79           HN       ALA  79   3.526   3.586  -0.153
  534    HA   ALA  79           HA       ALA  79   4.741   3.956   2.594
  535   1HB   ALA  79          3HB       ALA  79   2.588   2.737   2.533
  536   2HB   ALA  79          1HB       ALA  79   3.323   1.543   1.447
  537   3HB   ALA  79          2HB       ALA  79   3.964   1.764   3.096
  538    H    TYR  80           HN       TYR  80   6.575   2.782   3.112
  539    HA   TYR  80           HA       TYR  80   8.259   1.860   0.805
  540   1HB   TYR  80          2HB       TYR  80   8.950   2.749   3.620
  541   2HB   TYR  80          3HB       TYR  80  10.059   2.059   2.436
  542    HD1  TYR  80           HD2      TYR  80  10.750   3.298   0.465
  543    HD2  TYR  80           HD1      TYR  80   7.999   5.025   3.289
  544    HE1  TYR  80           HE2      TYR  80  10.968   5.494  -0.665
  545    HE2  TYR  80           HE1      TYR  80   8.284   7.234   2.223
  546    HH   TYR  80           HOH      TYR  80   9.254   8.412   0.490
  547    HA   PRO  81           HA       PRO  81   7.479  -2.160   2.736
  548   1HB   PRO  81          2HB       PRO  81   8.979  -3.675   0.927
  549   2HB   PRO  81          3HB       PRO  81   7.276  -3.184   0.741
  550   1HG   PRO  81          2HG       PRO  81   9.660  -2.122  -0.698
  551   2HG   PRO  81          3HG       PRO  81   7.902  -1.968  -1.039
  552   1HD   PRO  81          2HD       PRO  81   9.573   0.015   0.063
  553   2HD   PRO  81          3HD       PRO  81   7.823   0.051  -0.274
  554    H    THR  82           HN       THR  82   8.528  -2.712   4.626
  555    HA   THR  82           HA       THR  82  11.446  -2.281   4.793
  556    HB   THR  82           HB       THR  82  10.906  -2.834   7.238
  557    HG1  THR  82           HG1      THR  82   8.617  -3.562   6.491
  558   1HG2  THR  82          2HG2      THR  82   9.698  -0.375   5.896
  559   2HG2  THR  82          3HG2      THR  82  10.067  -0.531   7.625
  560   3HG2  THR  82          1HG2      THR  82  11.381  -0.565   6.435
  561    H    SER  83           HN       SER  83   9.306  -4.894   4.115
  562    HA   SER  83           HA       SER  83  11.478  -6.732   3.986
  563   1HB   SER  83          2HB       SER  83   9.188  -7.300   5.951
  564   2HB   SER  83          3HB       SER  83  10.446  -8.464   5.506
  565    HG   SER  83           HOG      SER  83  11.687  -6.277   6.329
  566    H    ASP  84           HN       ASP  84  10.141  -9.064   3.510
  567    HA   ASP  84           HA       ASP  84   8.358  -8.711   1.270
  568   1HB   ASP  84          2HB       ASP  84   7.860 -11.097   1.776
  569   2HB   ASP  84          3HB       ASP  84   9.583 -10.769   1.532
  570    H    VAL  85           HN       VAL  85   6.200  -8.451   1.366
  571    HA   VAL  85           HA       VAL  85   4.709  -8.484   3.870
  572    HB   VAL  85           HB       VAL  85   5.786  -6.324   4.072
  573   1HG1  VAL  85          3HG1      VAL  85   5.347  -6.171   1.158
  574   2HG1  VAL  85          1HG1      VAL  85   5.008  -4.657   1.997
  575   3HG1  VAL  85          2HG1      VAL  85   6.592  -5.414   2.157
  576   1HG2  VAL  85          2HG2      VAL  85   3.310  -6.416   4.565
  577   2HG2  VAL  85          3HG2      VAL  85   4.028  -4.867   4.356
  578   3HG2  VAL  85          1HG2      VAL  85   3.052  -5.565   3.034
  579    H    VAL  86           HN       VAL  86   2.480  -8.308   3.670
  580    HA   VAL  86           HA       VAL  86   1.479  -8.820   0.915
  581    HB   VAL  86           HB       VAL  86   0.726 -10.380   3.425
  582   1HG1  VAL  86          1HG1      VAL  86  -0.098 -10.591   0.509
  583   2HG1  VAL  86          2HG1      VAL  86  -0.460 -11.838   1.711
  584   3HG1  VAL  86          3HG1      VAL  86  -1.152 -10.213   1.833
  585   1HG2  VAL  86          2HG2      VAL  86   2.427 -11.197   1.012
  586   2HG2  VAL  86          3HG2      VAL  86   2.981 -11.080   2.695
  587   3HG2  VAL  86          1HG2      VAL  86   1.814 -12.324   2.238
  588    H    ILE  87           HN       ILE  87  -0.063  -7.374   0.491
  589    HA   ILE  87           HA       ILE  87  -1.859  -6.520   2.631
  590    HB   ILE  87           HB       ILE  87  -0.362  -4.810   2.701
  591   1HG1  ILE  87          2HG1      ILE  87  -2.745  -4.025   1.960
  592   2HG1  ILE  87          3HG1      ILE  87  -1.418  -2.867   2.032
  593   1HG2  ILE  87          2HG2      ILE  87   0.228  -4.981  -0.185
  594   2HG2  ILE  87          3HG2      ILE  87   0.740  -3.641   0.863
  595   3HG2  ILE  87          1HG2      ILE  87   1.299  -5.287   1.189
  596   1HD1  ILE  87           HD2      ILE  87  -1.885  -4.405  -0.502
  597   2HD1  ILE  87           HD3      ILE  87  -2.832  -2.968  -0.170
  598   3HD1  ILE  87           HD1      ILE  87  -1.068  -2.855  -0.254
  599    H    GLU  88           HN       GLU  88  -3.924  -5.869   1.816
  600    HA   GLU  88           HA       GLU  88  -4.569  -6.776  -0.974
  601   1HB   GLU  88          2HB       GLU  88  -6.447  -5.897   1.170
  602   2HB   GLU  88          3HB       GLU  88  -6.861  -6.758  -0.326
  603   1HG   GLU  88          2HG       GLU  88  -5.954  -8.800   0.670
  604   2HG   GLU  88          3HG       GLU  88  -5.387  -7.867   2.069
  605    H    THR  89           HN       THR  89  -4.687  -5.166  -2.492
  606    HA   THR  89           HA       THR  89  -4.853  -2.347  -1.594
  607    HB   THR  89           HB       THR  89  -4.680  -2.005  -4.147
  608    HG1  THR  89           HG1      THR  89  -5.347  -4.313  -4.489
  609   1HG2  THR  89          3HG2      THR  89  -2.516  -3.517  -2.652
  610   2HG2  THR  89          1HG2      THR  89  -2.281  -2.516  -4.090
  611   3HG2  THR  89          2HG2      THR  89  -2.805  -1.763  -2.581
  612    H    HIS  90           HN       HIS  90  -6.369  -0.914  -2.936
  613    HA   HIS  90           HA       HIS  90  -8.406  -0.204  -3.547
  614   1HB   HIS  90          2HB       HIS  90  -9.264  -3.103  -3.927
  615   2HB   HIS  90          3HB       HIS  90 -10.111  -1.664  -4.460
  616    HD1  HIS  90           HND      HIS  90  -6.349  -2.009  -5.216
  617    HD2  HIS  90           HD       HIS  90 -10.132  -2.453  -6.972
  618    HE1  HIS  90           HE       HIS  90  -5.939  -2.607  -7.646
  619    H    LYS  91           HN       LYS  91  -7.961   0.027  -0.989
  620    HA   LYS  91           HA       LYS  91 -10.478  -0.884   0.373
  621   1HB   LYS  91          2HB       LYS  91  -7.728  -0.479   1.578
  622   2HB   LYS  91          3HB       LYS  91  -9.157  -1.133   2.369
  623   1HG   LYS  91          2HG       LYS  91  -7.804  -2.464  -0.052
  624   2HG   LYS  91          3HG       LYS  91  -7.567  -2.915   1.634
  625   1HD   LYS  91          2HD       LYS  91  -9.712  -3.462   1.999
  626   2HD   LYS  91          3HD       LYS  91 -10.308  -2.913   0.433
  627   1HE   LYS  91          2HE       LYS  91  -9.497  -4.685  -0.771
  628   2HE   LYS  91          3HE       LYS  91  -8.206  -4.979   0.386
  629   1HZ   LYS  91          3HNZ      LYS  91  -9.831  -5.703   1.982
  630   2HZ   LYS  91          1HNZ      LYS  91 -11.064  -5.485   0.953
  631   3HZ   LYS  91          2HNZ      LYS  91  -9.810  -6.679   0.729
  632    H    GLU  92           HN       GLU  92  -9.561   1.730  -1.014
  633    HA   GLU  92           HA       GLU  92  -9.578   3.863   0.823
  634   1HB   GLU  92          2HB       GLU  92  -9.131   4.124  -1.528
  635   2HB   GLU  92          3HB       GLU  92 -10.704   3.485  -2.002
  636   1HG   GLU  92          2HG       GLU  92 -10.804   5.884  -0.229
  637   2HG   GLU  92          3HG       GLU  92 -10.097   6.127  -1.846
  638    H    GLU  93           HN       GLU  93 -12.475   2.590  -0.918
  639    HA   GLU  93           HA       GLU  93 -14.192   3.723   1.059
  640   1HB   GLU  93          2HB       GLU  93 -15.988   2.851  -0.378
  641   2HB   GLU  93          3HB       GLU  93 -14.731   3.644  -1.329
  642   1HG   GLU  93          2HG       GLU  93 -13.756   1.345  -1.842
  643   2HG   GLU  93          3HG       GLU  93 -15.147   0.641  -1.004
  644    H    GLU  94           HN       GLU  94 -12.383   1.648   2.177
  645    HA   GLU  94           HA       GLU  94 -14.483  -0.003   3.520
  646   1HB   GLU  94          2HB       GLU  94 -11.523  -0.692   3.189
  647   2HB   GLU  94          3HB       GLU  94 -12.641  -1.403   4.352
  648   1HG   GLU  94          2HG       GLU  94 -14.035  -2.272   2.465
  649   2HG   GLU  94          3HG       GLU  94 -12.790  -1.720   1.341
  650    H    ILE  95           HN       ILE  95 -11.391   1.850   3.806
  651    HA   ILE  95           HA       ILE  95 -11.473   1.732   6.613
  652    HB   ILE  95           HB       ILE  95  -9.514   3.163   6.558
  653   1HG1  ILE  95          2HG1      ILE  95  -9.984   3.346   3.552
  654   2HG1  ILE  95          3HG1      ILE  95 -10.296   4.660   4.709
  655   1HG2  ILE  95          2HG2      ILE  95  -9.468   0.746   6.131
  656   2HG2  ILE  95          3HG2      ILE  95  -9.458   1.020   4.384
  657   3HG2  ILE  95          1HG2      ILE  95  -8.113   1.593   5.381
  658   1HD1  ILE  95           HD3      ILE  95  -7.565   3.442   4.342
  659   2HD1  ILE  95           HD1      ILE  95  -8.203   4.842   3.463
  660   3HD1  ILE  95           HD2      ILE  95  -8.027   4.911   5.238
  661    H    VAL  96           HN       VAL  96 -12.675   4.257   4.445
  662    HA   VAL  96           HA       VAL  96 -13.080   6.109   6.703
  663    HB   VAL  96           HB       VAL  96 -14.051   7.612   5.061
  664   1HG1  VAL  96          2HG1      VAL  96 -11.570   7.542   5.472
  665   2HG1  VAL  96          3HG1      VAL  96 -11.413   6.510   4.031
  666   3HG1  VAL  96          1HG1      VAL  96 -12.020   8.163   3.875
  667   1HG2  VAL  96          2HG2      VAL  96 -15.060   5.998   3.480
  668   2HG2  VAL  96          3HG2      VAL  96 -13.987   7.135   2.652
  669   3HG2  VAL  96          1HG2      VAL  96 -13.445   5.479   2.963
   
  No H/Q in entry =         668
  Start of MODEL   12
    1   1H    ALA   1          1HN       ALA   1  17.431  -2.521   0.242
    2   2H    ALA   1          2HN       ALA   1  16.445  -2.552  -0.994
    3   2H    ALA   1          3HN       ALA   1  16.445  -2.552  -0.994
    4    HA   ALA   1           HA       ALA   1  18.065  -4.856  -0.559
    5   1HB   ALA   1          1HB       ALA   1  17.237  -4.247   1.692
    6   2HB   ALA   1          2HB       ALA   1  15.572  -4.324   1.075
    7   3HB   ALA   1          3HB       ALA   1  16.576  -5.783   1.103
    8    H    THR   2           HN       THR   2  14.716  -3.749  -1.153
    9    HA   THR   2           HA       THR   2  13.238  -4.262  -2.731
   10    HB   THR   2           HB       THR   2  15.359  -5.873  -4.146
   11    HG1  THR   2           HG1      THR   2  14.486  -3.293  -4.847
   12   1HG2  THR   2          2HG2      THR   2  12.681  -4.769  -5.079
   13   2HG2  THR   2          3HG2      THR   2  13.948  -5.426  -6.136
   14   3HG2  THR   2          1HG2      THR   2  13.158  -6.482  -4.950
   15    H    TYR   3           HN       TYR   3  11.643  -5.244  -1.714
   16    HA   TYR   3           HA       TYR   3  12.027  -8.095  -0.868
   17   1HB   TYR   3          2HB       TYR   3  10.178  -5.950   0.210
   18   2HB   TYR   3          3HB       TYR   3  10.290  -7.592   0.800
   19    HD1  TYR   3           HD2      TYR   3  12.951  -8.306   1.295
   20    HD2  TYR   3           HD1      TYR   3  11.287  -4.334   1.490
   21    HE1  TYR   3           HE2      TYR   3  14.801  -7.597   2.784
   22    HE2  TYR   3           HE1      TYR   3  13.050  -3.685   3.103
   23    HH   TYR   3           HOH      TYR   3  14.951  -4.315   4.188
   24    H    ASN   4           HN       ASN   4  10.165  -9.443  -0.797
   25    HA   ASN   4           HA       ASN   4   8.637  -9.487  -3.212
   26   1HB   ASN   4          2HB       ASN   4   9.666 -11.493  -2.215
   27   2HB   ASN   4          3HB       ASN   4   8.793 -11.229  -0.696
   28   1HD2  ASN   4          2HND      ASN   4   6.138 -12.089  -3.674
   29   2HD2  ASN   4          1HND      ASN   4   6.935 -10.516  -3.578
   30    H    VAL   5           HN       VAL   5   7.013  -7.990  -3.259
   31    HA   VAL   5           HA       VAL   5   5.217  -7.783  -0.890
   32    HB   VAL   5           HB       VAL   5   5.526  -5.804  -3.153
   33   1HG1  VAL   5          1HG1      VAL   5   3.663  -6.153  -0.832
   34   2HG1  VAL   5          2HG1      VAL   5   4.371  -4.553  -0.991
   35   3HG1  VAL   5          3HG1      VAL   5   3.463  -5.268  -2.342
   36   1HG2  VAL   5          2HG2      VAL   5   6.810  -5.981  -0.411
   37   2HG2  VAL   5          3HG2      VAL   5   7.572  -5.718  -1.980
   38   3HG2  VAL   5          1HG2      VAL   5   6.589  -4.438  -1.258
   39    H    LYS   6           HN       LYS   6   3.477  -9.208  -1.117
   40    HA   LYS   6           HA       LYS   6   2.230  -9.518  -3.758
   41   1HB   LYS   6          2HB       LYS   6   2.394 -11.420  -2.307
   42   2HB   LYS   6          3HB       LYS   6   1.466 -10.589  -1.081
   43   1HG   LYS   6          2HG       LYS   6  -0.439 -10.308  -2.876
   44   2HG   LYS   6          3HG       LYS   6   0.559 -11.286  -3.933
   45   1HD   LYS   6          2HD       LYS   6  -0.593 -12.164  -1.237
   46   2HD   LYS   6          3HD       LYS   6  -1.219 -12.513  -2.838
   47   1HE   LYS   6          2HE       LYS   6   1.287 -13.336  -3.276
   48   2HE   LYS   6          3HE       LYS   6   1.347 -13.478  -1.526
   49   1HZ   LYS   6          1HNZ      LYS   6  -0.690 -14.668  -3.355
   50   2HZ   LYS   6          2HNZ      LYS   6   0.614 -15.506  -2.789
   51   3HZ   LYS   6          3HNZ      LYS   6  -0.583 -15.004  -1.755
   52    H    LEU   7           HN       LEU   7   0.672  -8.317  -4.557
   53    HA   LEU   7           HA       LEU   7  -1.014  -6.659  -2.763
   54   1HB   LEU   7          2HB       LEU   7  -0.321  -6.393  -5.702
   55   2HB   LEU   7          3HB       LEU   7  -1.382  -5.307  -4.841
   56    HG   LEU   7           HG       LEU   7   1.614  -5.723  -4.561
   57   1HD1  LEU   7          3HD1      LEU   7   0.811  -4.293  -6.433
   58   2HD1  LEU   7          1HD1      LEU   7  -0.024  -3.271  -5.238
   59   3HD1  LEU   7          2HD1      LEU   7   1.740  -3.357  -5.245
   60   1HD2  LEU   7          1HD2      LEU   7  -0.216  -4.097  -2.762
   61   2HD2  LEU   7          2HD2      LEU   7   0.931  -5.382  -2.312
   62   3HD2  LEU   7          3HD2      LEU   7   1.532  -3.823  -2.876
   63    H    ILE   8           HN       ILE   8  -2.825  -7.689  -2.237
   64    HA   ILE   8           HA       ILE   8  -3.934  -9.713  -4.083
   65    HB   ILE   8           HB       ILE   8  -4.645  -8.803  -1.310
   66   1HG1  ILE   8          2HG1      ILE   8  -3.704 -11.533  -2.045
   67   2HG1  ILE   8          3HG1      ILE   8  -2.531 -10.245  -1.758
   68   1HG2  ILE   8          2HG2      ILE   8  -5.898 -10.952  -3.081
   69   2HG2  ILE   8          3HG2      ILE   8  -6.233 -10.771  -1.351
   70   3HG2  ILE   8          1HG2      ILE   8  -6.712  -9.499  -2.470
   71   1HD1  ILE   8           HD2      ILE   8  -4.654 -11.094   0.245
   72   2HD1  ILE   8           HD3      ILE   8  -2.944 -11.553   0.269
   73   3HD1  ILE   8           HD1      ILE   8  -3.402  -9.848   0.465
   74    H    THR   9           HN       THR   9  -4.295  -8.318  -5.843
   75    HA   THR   9           HA       THR   9  -6.060  -6.054  -5.554
   76    HB   THR   9           HB       THR   9  -5.910  -6.027  -7.981
   77    HG1  THR   9           HG1      THR   9  -5.560  -8.394  -8.209
   78   1HG2  THR   9          1HG2      THR   9  -3.202  -6.443  -6.604
   79   2HG2  THR   9          2HG2      THR   9  -3.417  -5.719  -8.202
   80   3HG2  THR   9          3HG2      THR   9  -4.074  -4.890  -6.782
   81    HA   PRO  10           HA       PRO  10  -9.960  -8.146  -6.020
   82   1HB   PRO  10          2HB       PRO  10 -10.544  -6.262  -8.282
   83   2HB   PRO  10          3HB       PRO  10 -11.526  -6.672  -6.836
   84   1HG   PRO  10          2HG       PRO  10 -10.207  -4.386  -6.918
   85   2HG   PRO  10          3HG       PRO  10 -10.198  -5.353  -5.424
   86   1HD   PRO  10          2HD       PRO  10  -8.076  -5.122  -7.430
   87   2HD   PRO  10          3HD       PRO  10  -7.948  -5.189  -5.697
   88    H    ASP  11           HN       ASP  11  -8.232  -7.418  -9.037
   89    HA   ASP  11           HA       ASP  11  -9.177  -9.126 -10.963
   90   1HB   ASP  11          2HB       ASP  11  -6.375  -8.211 -10.147
   91   2HB   ASP  11          3HB       ASP  11  -6.667  -9.140 -11.597
   92    H    GLY  12           HN       GLY  12  -7.152  -9.776  -8.186
   93   1HA   GLY  12          2HA       GLY  12  -7.413 -11.754  -7.080
   94   2HA   GLY  12          3HA       GLY  12  -7.327 -12.726  -8.575
   95    H    GLU  13           HN       GLU  13  -5.495 -10.284  -6.777
   96    HA   GLU  13           HA       GLU  13  -3.364 -10.056  -6.053
   97   1HB   GLU  13          2HB       GLU  13  -3.059 -12.909  -6.915
   98   2HB   GLU  13          3HB       GLU  13  -1.854 -11.998  -6.021
   99   1HG   GLU  13          2HG       GLU  13  -3.186 -11.839  -4.104
  100   2HG   GLU  13          3HG       GLU  13  -4.640 -12.455  -4.914
  101    H    VAL  14           HN       VAL  14  -1.148  -9.859  -6.738
  102    HA   VAL  14           HA       VAL  14  -0.637 -10.328  -9.621
  103    HB   VAL  14           HB       VAL  14  -1.637  -8.166  -9.565
  104   1HG1  VAL  14          3HG1      VAL  14  -1.184  -7.468  -7.317
  105   2HG1  VAL  14          1HG1      VAL  14   0.508  -7.078  -7.759
  106   3HG1  VAL  14          2HG1      VAL  14  -0.849  -6.228  -8.509
  107   1HG2  VAL  14          2HG2      VAL  14   0.257  -8.634 -11.155
  108   2HG2  VAL  14          3HG2      VAL  14   0.033  -6.920 -10.763
  109   3HG2  VAL  14          1HG2      VAL  14   1.355  -7.835 -10.000
  110    H    GLU  15           HN       GLU  15   0.805  -8.776  -6.807
  111    HA   GLU  15           HA       GLU  15   2.687  -9.050  -5.695
  112   1HB   GLU  15          2HB       GLU  15   2.019 -11.546  -5.851
  113   2HB   GLU  15          3HB       GLU  15   3.226 -11.666  -7.139
  114   1HG   GLU  15          2HG       GLU  15   5.001 -10.984  -5.607
  115   2HG   GLU  15          3HG       GLU  15   3.844 -10.797  -4.287
  116    H    PHE  16           HN       PHE  16   4.815  -8.485  -5.708
  117    HA   PHE  16           HA       PHE  16   6.440  -8.599  -8.052
  118   1HB   PHE  16          2HB       PHE  16   6.551  -6.484  -8.847
  119   2HB   PHE  16          3HB       PHE  16   4.855  -6.843  -8.801
  120    HD1  PHE  16           HD2      PHE  16   3.858  -6.257  -6.192
  121    HD2  PHE  16           HD1      PHE  16   7.212  -4.363  -8.155
  122    HE1  PHE  16           HE2      PHE  16   3.772  -4.450  -4.636
  123    HE2  PHE  16           HE1      PHE  16   6.950  -2.440  -6.719
  124    HZ   PHE  16           HZ       PHE  16   5.106  -2.330  -5.044
  125    H    LYS  17           HN       LYS  17   8.357  -6.902  -7.738
  126    HA   LYS  17           HA       LYS  17   9.314  -7.240  -4.963
  127   1HB   LYS  17          2HB       LYS  17  10.546  -7.676  -7.589
  128   2HB   LYS  17          3HB       LYS  17  11.456  -6.526  -6.632
  129   1HG   LYS  17          2HG       LYS  17  12.330  -8.728  -6.154
  130   2HG   LYS  17          3HG       LYS  17  11.525  -8.064  -4.729
  131   1HD   LYS  17          2HD       LYS  17  10.768 -10.207  -4.723
  132   2HD   LYS  17          3HD       LYS  17   9.426  -9.336  -5.512
  133   1HE   LYS  17          2HE       LYS  17  10.153 -10.080  -7.721
  134   2HE   LYS  17          3HE       LYS  17  11.578 -10.875  -7.028
  135   1HZ   LYS  17          3HNZ      LYS  17   8.780 -11.630  -6.454
  136   2HZ   LYS  17          1HNZ      LYS  17   9.796 -12.422  -7.471
  137   3HZ   LYS  17          2HNZ      LYS  17  10.121 -12.373  -5.863
  138    H    CYS  18           HN       CYS  18   9.554  -5.466  -3.747
  139    HA   CYS  18           HA       CYS  18   9.384  -2.771  -5.110
  140   1HB   CYS  18          2HB       CYS  18   7.279  -3.432  -4.040
  141   2HB   CYS  18          3HB       CYS  18   8.150  -3.419  -2.503
  142    HG   CYS  18           HSG      CYS  18   9.092  -0.939  -2.751
  143    H    ASP  19           HN       ASP  19  11.043  -1.500  -4.764
  144    HA   ASP  19           HA       ASP  19  13.174  -2.188  -2.969
  145   1HB   ASP  19          2HB       ASP  19  12.644   0.420  -4.407
  146   2HB   ASP  19          3HB       ASP  19  14.096  -0.029  -3.527
  147    H    ASP  20           HN       ASP  20  13.684  -1.396  -1.151
  148    HA   ASP  20           HA       ASP  20  11.711  -0.674   0.774
  149   1HB   ASP  20          2HB       ASP  20  13.926  -0.581   2.255
  150   2HB   ASP  20          3HB       ASP  20  13.229  -2.070   1.658
  151    H    ASP  21           HN       ASP  21  13.678   1.135  -1.325
  152    HA   ASP  21           HA       ASP  21  13.117   3.663   0.158
  153   1HB   ASP  21          2HB       ASP  21  15.201   2.872  -1.919
  154   2HB   ASP  21          3HB       ASP  21  14.854   4.541  -1.485
  155    H    VAL  22           HN       VAL  22  11.266   1.884  -1.790
  156    HA   VAL  22           HA       VAL  22  10.404   4.316  -3.247
  157    HB   VAL  22           HB       VAL  22  11.773   2.558  -4.674
  158   1HG1  VAL  22          2HG1      VAL  22  10.155   0.654  -4.003
  159   2HG1  VAL  22          3HG1      VAL  22   8.971   1.457  -5.066
  160   3HG1  VAL  22          1HG1      VAL  22  10.519   0.872  -5.707
  161   1HG2  VAL  22          3HG2      VAL  22  10.674   4.590  -5.543
  162   2HG2  VAL  22          1HG2      VAL  22  10.466   3.200  -6.635
  163   3HG2  VAL  22          2HG2      VAL  22   9.122   3.716  -5.599
  164    H    TYR  23           HN       TYR  23   8.254   4.433  -3.778
  165    HA   TYR  23           HA       TYR  23   6.455   3.468  -1.797
  166   1HB   TYR  23          2HB       TYR  23   6.297   4.968  -4.365
  167   2HB   TYR  23          3HB       TYR  23   4.807   4.365  -3.659
  168    HD1  TYR  23           HD1      TYR  23   7.522   5.626  -1.431
  169    HD2  TYR  23           HD2      TYR  23   3.953   6.624  -3.639
  170    HE1  TYR  23           HE1      TYR  23   7.495   7.854  -0.392
  171    HE2  TYR  23           HE2      TYR  23   3.886   8.830  -2.538
  172    HH   TYR  23           HOH      TYR  23   4.927  10.259  -1.077
  173    H    VAL  24           HN       VAL  24   5.110   1.699  -1.811
  174    HA   VAL  24           HA       VAL  24   5.487  -0.395  -3.708
  175    HB   VAL  24           HB       VAL  24   3.031  -0.297  -1.970
  176   1HG1  VAL  24          3HG1      VAL  24   5.009  -2.532  -2.679
  177   2HG1  VAL  24          1HG1      VAL  24   3.541  -2.709  -1.710
  178   3HG1  VAL  24          2HG1      VAL  24   3.402  -2.352  -3.408
  179   1HG2  VAL  24          3HG2      VAL  24   5.881  -0.688  -1.089
  180   2HG2  VAL  24          1HG2      VAL  24   4.645   0.386  -0.377
  181   3HG2  VAL  24          2HG2      VAL  24   4.527  -1.358  -0.157
  182    H    LEU  25           HN       LEU  25   4.035   2.371  -4.563
  183    HA   LEU  25           HA       LEU  25   2.054   0.976  -6.321
  184   1HB   LEU  25          2HB       LEU  25   1.822   3.911  -6.059
  185   2HB   LEU  25          3HB       LEU  25   0.662   2.639  -6.308
  186    HG   LEU  25           HG       LEU  25   1.167   1.977  -3.782
  187   1HD1  LEU  25          3HD1      LEU  25   2.329   4.768  -3.996
  188   2HD1  LEU  25          1HD1      LEU  25   1.538   4.256  -2.508
  189   3HD1  LEU  25          2HD1      LEU  25   2.923   3.359  -3.083
  190   1HD2  LEU  25          1HD2      LEU  25  -0.948   2.939  -4.848
  191   2HD2  LEU  25          2HD2      LEU  25  -0.725   3.086  -3.143
  192   3HD2  LEU  25          3HD2      LEU  25  -0.434   4.497  -4.168
  193    H    ASP  26           HN       ASP  26   4.338   3.766  -6.149
  194    HA   ASP  26           HA       ASP  26   4.739   4.319  -8.746
  195   1HB   ASP  26          2HB       ASP  26   6.688   4.103  -6.418
  196   2HB   ASP  26          3HB       ASP  26   7.131   4.866  -7.925
  197    H    GLN  27           HN       GLN  27   6.833   1.899  -7.016
  198    HA   GLN  27           HA       GLN  27   7.978   1.038  -9.462
  199   1HB   GLN  27          2HB       GLN  27   9.090   0.901  -7.385
  200   2HB   GLN  27          3HB       GLN  27   7.960  -0.301  -6.726
  201   1HG   GLN  27          2HG       GLN  27   8.763  -1.980  -8.205
  202   2HG   GLN  27          3HG       GLN  27   9.407  -0.777  -9.329
  203   1HE2  GLN  27          2HNE      GLN  27  12.008  -2.275  -6.630
  204   2HE2  GLN  27          1HNE      GLN  27  10.459  -3.048  -7.040
  205    H    ALA  28           HN       ALA  28   4.961   0.164  -7.886
  206    HA   ALA  28           HA       ALA  28   4.553  -2.370  -9.187
  207   1HB   ALA  28          3HB       ALA  28   3.248  -1.107  -7.228
  208   2HB   ALA  28          1HB       ALA  28   2.220  -0.607  -8.596
  209   3HB   ALA  28          2HB       ALA  28   2.491  -2.324  -8.238
  210    H    GLU  29           HN       GLU  29   3.544   1.018  -9.904
  211    HA   GLU  29           HA       GLU  29   2.365   0.557 -12.403
  212   1HB   GLU  29          2HB       GLU  29   3.721   3.041 -11.274
  213   2HB   GLU  29          3HB       GLU  29   2.856   3.000 -12.812
  214   1HG   GLU  29          2HG       GLU  29   0.796   2.237 -11.651
  215   2HG   GLU  29          3HG       GLU  29   1.631   2.358 -10.099
  216    H    GLU  30           HN       GLU  30   5.793   1.311 -11.534
  217    HA   GLU  30           HA       GLU  30   6.874   1.235 -14.132
  218   1HB   GLU  30          2HB       GLU  30   8.147   0.231 -11.590
  219   2HB   GLU  30          3HB       GLU  30   8.982   0.463 -13.115
  220   1HG   GLU  30          2HG       GLU  30   7.493   2.781 -11.819
  221   2HG   GLU  30          3HG       GLU  30   9.156   2.365 -11.393
  222    H    GLU  31           HN       GLU  31   5.869  -1.569 -12.178
  223    HA   GLU  31           HA       GLU  31   6.883  -3.398 -14.228
  224   1HB   GLU  31          2HB       GLU  31   4.902  -4.106 -12.062
  225   2HB   GLU  31          3HB       GLU  31   6.056  -5.127 -12.920
  226   1HG   GLU  31          2HG       GLU  31   7.584  -3.031 -11.712
  227   2HG   GLU  31          3HG       GLU  31   6.358  -3.445 -10.529
  228    H    GLY  32           HN       GLY  32   3.985  -1.607 -13.607
  229   1HA   GLY  32          2HA       GLY  32   2.528  -1.149 -15.498
  230   2HA   GLY  32          3HA       GLY  32   2.558  -2.864 -15.931
  231    H    ILE  33           HN       ILE  33   2.483  -2.321 -12.500
  232    HA   ILE  33           HA       ILE  33  -0.186  -3.498 -12.440
  233    HB   ILE  33           HB       ILE  33   1.509  -2.585 -10.130
  234   1HG1  ILE  33          2HG1      ILE  33   1.317  -5.245 -11.541
  235   2HG1  ILE  33          3HG1      ILE  33   2.731  -4.194 -11.579
  236   1HG2  ILE  33          3HG2      ILE  33  -1.014  -3.098  -9.789
  237   2HG2  ILE  33          1HG2      ILE  33  -0.646  -4.741 -10.268
  238   3HG2  ILE  33          2HG2      ILE  33   0.095  -4.044  -8.804
  239   1HD1  ILE  33           HD1      ILE  33   1.739  -5.552  -9.052
  240   2HD1  ILE  33           HD2      ILE  33   3.140  -6.000 -10.034
  241   3HD1  ILE  33           HD3      ILE  33   3.120  -4.444  -9.186
  242    H    ASP  34           HN       ASP  34  -2.006  -2.454 -12.234
  243    HA   ASP  34           HA       ASP  34  -2.141   0.470 -11.617
  244   1HB   ASP  34          2HB       ASP  34  -3.357  -0.371 -13.617
  245   2HB   ASP  34          3HB       ASP  34  -4.242  -1.520 -12.597
  246    H    ILE  35           HN       ILE  35  -2.223   0.971  -9.491
  247    HA   ILE  35           HA       ILE  35  -4.320  -0.327  -7.944
  248    HB   ILE  35           HB       ILE  35  -3.040  -0.757  -6.038
  249   1HG1  ILE  35          2HG1      ILE  35  -0.682   0.689  -7.305
  250   2HG1  ILE  35          3HG1      ILE  35  -1.676   1.222  -5.936
  251   1HG2  ILE  35          2HG2      ILE  35  -2.729  -2.443  -7.877
  252   2HG2  ILE  35          3HG2      ILE  35  -1.147  -1.660  -8.188
  253   3HG2  ILE  35          1HG2      ILE  35  -1.491  -2.450  -6.645
  254   1HD1  ILE  35           HD3      ILE  35  -0.947  -0.886  -4.700
  255   2HD1  ILE  35           HD1      ILE  35   0.278  -1.084  -5.986
  256   3HD1  ILE  35           HD2      ILE  35   0.286   0.346  -4.958
  257    HA   PRO  36           HA       PRO  36  -5.355   3.780  -7.274
  258   1HB   PRO  36          2HB       PRO  36  -5.938   3.922  -4.486
  259   2HB   PRO  36          3HB       PRO  36  -7.035   3.533  -5.838
  260   1HG   PRO  36          2HG       PRO  36  -5.650   1.683  -3.955
  261   2HG   PRO  36          3HG       PRO  36  -7.217   1.502  -4.803
  262   1HD   PRO  36          2HD       PRO  36  -4.920   0.224  -5.529
  263   2HD   PRO  36          3HD       PRO  36  -6.189   0.652  -6.717
  264    H    TYR  37           HN       TYR  37  -3.720   5.155  -7.604
  265    HA   TYR  37           HA       TYR  37  -2.043   6.125  -5.344
  266   1HB   TYR  37          2HB       TYR  37  -0.765   4.381  -6.523
  267   2HB   TYR  37          3HB       TYR  37  -1.131   5.111  -8.064
  268    HD1  TYR  37           HD1      TYR  37   0.236   6.549  -4.812
  269    HD2  TYR  37           HD2      TYR  37   0.694   6.107  -9.074
  270    HE1  TYR  37           HE1      TYR  37   2.245   7.984  -4.754
  271    HE2  TYR  37           HE2      TYR  37   2.772   7.432  -8.989
  272    HH   TYR  37           HOH      TYR  37   4.573   8.025  -7.037
  273    H    SER  38           HN       SER  38  -3.828   6.843  -8.286
  274    HA   SER  38           HA       SER  38  -2.187   8.939  -9.266
  275   1HB   SER  38          2HB       SER  38  -4.242   9.255 -10.735
  276   2HB   SER  38          3HB       SER  38  -3.543   7.621 -10.726
  277    HG   SER  38           HOG      SER  38  -5.702   8.499  -9.107
  278    H    CYS  39           HN       CYS  39  -2.003  10.028  -7.170
  279    HA   CYS  39           HA       CYS  39  -3.916  12.258  -6.672
  280   1HB   CYS  39          2HB       CYS  39  -3.514   9.751  -5.167
  281   2HB   CYS  39          3HB       CYS  39  -3.136  11.206  -4.230
  282    H    ARG  40           HN       ARG  40  -1.352  10.681  -4.854
  283    HA   ARG  40           HA       ARG  40   0.604  11.222  -3.972
  284   1HB   ARG  40          2HB       ARG  40   1.366  11.260  -6.242
  285   2HB   ARG  40          3HB       ARG  40   0.912  12.964  -6.432
  286   1HG   ARG  40          2HG       ARG  40   2.580  13.676  -4.839
  287   2HG   ARG  40          3HG       ARG  40   2.932  12.011  -4.355
  288   1HD   ARG  40          2HD       ARG  40   4.190  11.556  -6.194
  289   2HD   ARG  40          3HD       ARG  40   3.201  12.495  -7.293
  290    HE   ARG  40           HNE      ARG  40   5.586  13.358  -5.917
  291   1HH1  ARG  40          2HN2      ARG  40   2.462  14.528  -7.013
  292   2HH1  ARG  40          1HN2      ARG  40   2.997  16.111  -7.484
  293   1HH2  ARG  40          2HN1      ARG  40   6.367  15.486  -6.456
  294   2HH2  ARG  40          1HN1      ARG  40   5.289  16.678  -7.106
  295    H    ALA  41           HN       ALA  41  -0.199  12.131  -2.088
  296    HA   ALA  41           HA       ALA  41   1.410  13.780  -1.010
  297   1HB   ALA  41          3HB       ALA  41  -0.616  15.756  -2.099
  298   2HB   ALA  41          1HB       ALA  41   0.571  16.115  -0.831
  299   3HB   ALA  41          2HB       ALA  41   1.141  15.695  -2.431
  300    H    GLY  42           HN       GLY  42   0.244  11.915   0.164
  301   1HA   GLY  42          2HA       GLY  42  -1.075  11.080   1.781
  302   2HA   GLY  42          3HA       GLY  42  -0.148  12.236   2.697
  303    H    SER  43           HN       SER  43  -1.553  14.606   2.265
  304    HA   SER  43           HA       SER  43  -4.213  14.127   3.541
  305   1HB   SER  43          2HB       SER  43  -2.763  15.694   4.710
  306   2HB   SER  43          3HB       SER  43  -2.502  16.621   3.214
  307    HG   SER  43           HOG      SER  43  -4.744  17.028   3.182
  308    H    CYS  44           HN       CYS  44  -4.522  13.184   1.173
  309    HA   CYS  44           HA       CYS  44  -5.243  15.351  -0.765
  310   1HB   CYS  44          2HB       CYS  44  -4.975  13.393  -2.406
  311   2HB   CYS  44          3HB       CYS  44  -3.576  14.229  -1.748
  312    H    SER  45           HN       SER  45  -6.335  11.936  -0.249
  313    HA   SER  45           HA       SER  45  -9.144  12.895  -0.217
  314   1HB   SER  45          2HB       SER  45  -8.003  11.224  -2.488
  315   2HB   SER  45          3HB       SER  45  -9.739  11.327  -2.120
  316    HG   SER  45           HOG      SER  45  -8.379  13.742  -2.265
  317    H    SER  46           HN       SER  46  -8.661   9.567  -1.127
  318    HA   SER  46           HA       SER  46  -8.172   8.605   1.512
  319   1HB   SER  46          2HB       SER  46 -10.634   9.040   1.698
  320   2HB   SER  46          3HB       SER  46 -10.904   8.064   0.241
  321    HG   SER  46           HOG      SER  46 -11.160   6.608   1.777
  322    H    CYS  47           HN       CYS  47  -6.910   6.798   1.097
  323    HA   CYS  47           HA       CYS  47  -7.750   4.804  -0.705
  324   1HB   CYS  47          2HB       CYS  47  -6.039   4.668  -2.204
  325   2HB   CYS  47          3HB       CYS  47  -6.571   6.333  -2.342
  326    H    ALA  48           HN       ALA  48  -6.511   2.798  -0.293
  327    HA   ALA  48           HA       ALA  48  -4.419   2.577   1.648
  328   1HB   ALA  48          3HB       ALA  48  -7.242   2.274   2.711
  329   2HB   ALA  48          1HB       ALA  48  -5.786   1.655   3.522
  330   3HB   ALA  48          2HB       ALA  48  -5.966   3.387   3.270
  331    H    GLY  49           HN       GLY  49  -4.296   0.290   2.482
  332   1HA   GLY  49          2HA       GLY  49  -5.782  -1.717   0.932
  333   2HA   GLY  49          3HA       GLY  49  -4.017  -1.755   0.973
  334    H    LYS  50           HN       LYS  50  -5.724  -3.860   2.052
  335    HA   LYS  50           HA       LYS  50  -5.725  -3.617   4.978
  336   1HB   LYS  50          2HB       LYS  50  -7.485  -4.761   3.419
  337   2HB   LYS  50          3HB       LYS  50  -6.331  -6.066   3.261
  338   1HG   LYS  50          2HG       LYS  50  -6.959  -7.007   5.148
  339   2HG   LYS  50          3HG       LYS  50  -6.489  -5.570   6.053
  340   1HD   LYS  50          2HD       LYS  50  -8.804  -4.649   5.059
  341   2HD   LYS  50          3HD       LYS  50  -9.167  -6.379   4.953
  342   1HE   LYS  50          2HE       LYS  50  -8.523  -6.573   7.412
  343   2HE   LYS  50          3HE       LYS  50  -8.283  -4.823   7.458
  344   1HZ   LYS  50          3HNZ      LYS  50 -10.588  -4.520   6.892
  345   2HZ   LYS  50          1HNZ      LYS  50 -10.853  -6.143   6.869
  346   3HZ   LYS  50          2HNZ      LYS  50 -10.440  -5.388   8.279
  347    H    VAL  51           HN       VAL  51  -4.004  -4.455   6.254
  348    HA   VAL  51           HA       VAL  51  -1.717  -5.686   4.940
  349    HB   VAL  51           HB       VAL  51  -2.299  -5.323   7.948
  350   1HG1  VAL  51          2HG1      VAL  51  -0.367  -6.852   7.437
  351   2HG1  VAL  51          3HG1      VAL  51   0.370  -5.544   6.470
  352   3HG1  VAL  51          1HG1      VAL  51   0.129  -5.335   8.212
  353   1HG2  VAL  51          3HG2      VAL  51  -0.990  -3.575   5.906
  354   2HG2  VAL  51          1HG2      VAL  51  -2.390  -3.112   6.903
  355   3HG2  VAL  51          2HG2      VAL  51  -0.795  -3.223   7.645
  356    H    VAL  52           HN       VAL  52  -1.418  -7.849   4.664
  357    HA   VAL  52           HA       VAL  52  -3.173  -9.742   6.193
  358    HB   VAL  52           HB       VAL  52  -1.764  -9.972   3.545
  359   1HG1  VAL  52          3HG1      VAL  52  -3.515 -11.996   5.005
  360   2HG1  VAL  52          1HG1      VAL  52  -2.962 -12.151   3.324
  361   3HG1  VAL  52          2HG1      VAL  52  -1.784 -12.180   4.640
  362   1HG2  VAL  52          3HG2      VAL  52  -4.706  -9.743   4.290
  363   2HG2  VAL  52          1HG2      VAL  52  -3.741  -8.575   3.364
  364   3HG2  VAL  52          2HG2      VAL  52  -4.119 -10.158   2.673
  365    H    SER  53           HN       SER  53   0.247  -9.124   5.119
  366    HA   SER  53           HA       SER  53   1.166 -10.187   7.633
  367   1HB   SER  53          2HB       SER  53   0.818 -12.339   6.363
  368   2HB   SER  53          3HB       SER  53   1.978 -11.756   5.147
  369    HG   SER  53           HOG      SER  53   2.990 -13.047   6.752
  370    H    GLY  54           HN       GLY  54   3.666 -10.303   7.508
  371   1HA   GLY  54          2HA       GLY  54   5.631  -9.061   7.344
  372   2HA   GLY  54          3HA       GLY  54   5.072  -8.466   5.798
  373    H    SER  55           HN       SER  55   6.079  -6.353   6.488
  374    HA   SER  55           HA       SER  55   3.991  -4.640   7.496
  375   1HB   SER  55          2HB       SER  55   6.683  -4.701   8.921
  376   2HB   SER  55          3HB       SER  55   5.338  -3.609   9.237
  377    HG   SER  55           HOG      SER  55   4.292  -5.982   9.468
  378    H    ILE  56           HN       ILE  56   4.587  -2.398   7.147
  379    HA   ILE  56           HA       ILE  56   6.928  -1.829   5.441
  380    HB   ILE  56           HB       ILE  56   5.497  -0.340   4.108
  381   1HG1  ILE  56          2HG1      ILE  56   3.022  -1.684   5.175
  382   2HG1  ILE  56          3HG1      ILE  56   3.632  -0.267   5.985
  383   1HG2  ILE  56          1HG2      ILE  56   5.714  -3.069   3.713
  384   2HG2  ILE  56          2HG2      ILE  56   3.977  -2.786   3.556
  385   3HG2  ILE  56          3HG2      ILE  56   5.096  -1.881   2.542
  386   1HD1  ILE  56           HD1      ILE  56   3.739   1.009   3.867
  387   2HD1  ILE  56           HD2      ILE  56   2.948  -0.361   3.039
  388   3HD1  ILE  56           HD3      ILE  56   2.113   0.544   4.319
  389    H    ASP  57           HN       ASP  57   6.947   0.740   5.341
  390    HA   ASP  57           HA       ASP  57   6.028   1.927   7.927
  391   1HB   ASP  57          2HB       ASP  57   8.500   1.898   7.762
  392   2HB   ASP  57          3HB       ASP  57   8.405   2.728   6.192
  393    H    GLN  58           HN       GLN  58   4.214   3.059   7.469
  394    HA   GLN  58           HA       GLN  58   4.104   4.711   4.973
  395   1HB   GLN  58          2HB       GLN  58   1.670   4.883   5.569
  396   2HB   GLN  58          3HB       GLN  58   2.231   3.298   5.020
  397   1HG   GLN  58          2HG       GLN  58   2.204   2.401   7.207
  398   2HG   GLN  58          3HG       GLN  58   2.113   3.973   7.983
  399   1HE2  GLN  58          2HNE      GLN  58  -1.155   2.108   7.935
  400   2HE2  GLN  58          1HNE      GLN  58   0.486   1.718   8.373
  401    H    SER  59           HN       SER  59   5.845   5.534   7.181
  402    HA   SER  59           HA       SER  59   4.266   7.177   8.970
  403   1HB   SER  59          2HB       SER  59   6.280   5.850   9.642
  404   2HB   SER  59          3HB       SER  59   7.284   6.941   8.675
  405    HG   SER  59           HOG      SER  59   6.446   8.663   9.948
  406    H    ASP  60           HN       ASP  60   3.956   8.110   6.255
  407    HA   ASP  60           HA       ASP  60   4.411  10.918   6.712
  408   1HB   ASP  60          2HB       ASP  60   6.684  10.297   5.873
  409   2HB   ASP  60          3HB       ASP  60   5.929   9.642   4.420
  410    H    GLN  61           HN       GLN  61   2.177   9.323   6.458
  411    HA   GLN  61           HA       GLN  61   0.993   9.943   3.849
  412   1HB   GLN  61          2HB       GLN  61  -0.373   8.133   4.149
  413   2HB   GLN  61          3HB       GLN  61   1.124   7.541   4.835
  414   1HG   GLN  61          2HG       GLN  61  -1.358   8.509   6.324
  415   2HG   GLN  61          3HG       GLN  61  -0.872   6.846   6.035
  416   1HE2  GLN  61          2HNE      GLN  61   0.442   6.817   9.280
  417   2HE2  GLN  61          1HNE      GLN  61  -0.755   6.179   8.162
  418    H    SER  62           HN       SER  62   0.718  10.480   7.332
  419    HA   SER  62           HA       SER  62  -0.508  11.975   8.537
  420   1HB   SER  62          2HB       SER  62   0.919  13.405   6.856
  421   2HB   SER  62          3HB       SER  62  -0.628  13.741   6.068
  422    HG   SER  62           HOG      SER  62   0.075  14.237   8.791
  423    H    PHE  63           HN       PHE  63  -2.040   9.947   7.728
  424    HA   PHE  63           HA       PHE  63  -4.677  11.086   7.300
  425   1HB   PHE  63          2HB       PHE  63  -4.116  11.048   5.002
  426   2HB   PHE  63          3HB       PHE  63  -3.322   9.487   5.128
  427    HD1  PHE  63           HD2      PHE  63  -6.766  10.390   6.485
  428    HD2  PHE  63           HD1      PHE  63  -4.473   8.223   3.504
  429    HE1  PHE  63           HE2      PHE  63  -8.773   9.165   5.818
  430    HE2  PHE  63           HE1      PHE  63  -6.455   6.851   3.037
  431    HZ   PHE  63           HZ       PHE  63  -8.641   7.404   4.071
  432    H    LEU  64           HN       LEU  64  -3.269   7.689   6.818
  433    HA   LEU  64           HA       LEU  64  -5.558   6.657   7.868
  434   1HB   LEU  64          2HB       LEU  64  -2.795   5.341   7.915
  435   2HB   LEU  64          3HB       LEU  64  -4.257   4.600   8.509
  436    HG   LEU  64           HG       LEU  64  -5.345   5.014   6.235
  437   1HD1  LEU  64          2HD1      LEU  64  -3.610   6.490   5.226
  438   2HD1  LEU  64          3HD1      LEU  64  -2.425   5.174   5.365
  439   3HD1  LEU  64          1HD1      LEU  64  -3.830   5.001   4.303
  440   1HD2  LEU  64          3HD2      LEU  64  -3.079   3.018   6.626
  441   2HD2  LEU  64          1HD2      LEU  64  -4.765   2.849   7.168
  442   3HD2  LEU  64          2HD2      LEU  64  -4.391   2.867   5.434
  443    H    ASP  65           HN       ASP  65  -6.377   6.112   9.809
  444    HA   ASP  65           HA       ASP  65  -5.168   7.457  12.093
  445   1HB   ASP  65          2HB       ASP  65  -7.668   5.735  11.999
  446   2HB   ASP  65          3HB       ASP  65  -7.220   6.876  13.276
  447    H    ASP  66           HN       ASP  66  -5.066   6.388  14.242
  448    HA   ASP  66           HA       ASP  66  -3.277   4.194  14.349
  449   1HB   ASP  66          2HB       ASP  66  -5.265   5.258  16.418
  450   2HB   ASP  66          3HB       ASP  66  -3.995   4.074  16.746
  451    H    GLU  67           HN       GLU  67  -6.806   4.459  14.609
  452    HA   GLU  67           HA       GLU  67  -7.485   1.835  15.179
  453   1HB   GLU  67          2HB       GLU  67  -9.240   3.333  13.217
  454   2HB   GLU  67          3HB       GLU  67  -9.635   2.438  14.679
  455   1HG   GLU  67          2HG       GLU  67  -8.482   4.411  15.916
  456   2HG   GLU  67          3HG       GLU  67  -8.649   5.260  14.360
  457    H    GLN  68           HN       GLN  68  -7.440   3.346  11.903
  458    HA   GLN  68           HA       GLN  68  -7.851   1.042  10.421
  459   1HB   GLN  68          2HB       GLN  68  -6.254   3.511   9.726
  460   2HB   GLN  68          3HB       GLN  68  -6.826   2.323   8.552
  461   1HG   GLN  68          2HG       GLN  68  -9.106   2.691   9.000
  462   2HG   GLN  68          3HG       GLN  68  -8.770   3.723  10.382
  463   1HE2  GLN  68          2HNE      GLN  68  -9.536   5.897   7.521
  464   2HE2  GLN  68          1HNE      GLN  68 -10.407   4.666   8.399
  465    H    MET  69           HN       MET  69  -4.626   2.485  11.370
  466    HA   MET  69           HA       MET  69  -3.066   0.472  10.170
  467   1HB   MET  69          2HB       MET  69  -2.494   2.091  12.674
  468   2HB   MET  69          3HB       MET  69  -1.347   1.086  11.785
  469   1HG   MET  69          2HG       MET  69  -1.929   2.539   9.719
  470   2HG   MET  69          3HG       MET  69  -2.788   3.541  10.821
  471   1HE   MET  69           HE2      MET  69  -1.501   5.618  10.212
  472   2HE   MET  69           HE3      MET  69  -1.795   5.503  11.964
  473   3HE   MET  69           HE1      MET  69  -0.229   6.102  11.368
  474    H    ASP  70           HN       ASP  70  -4.201   0.557  13.582
  475    HA   ASP  70           HA       ASP  70  -3.142  -1.933  14.404
  476   1HB   ASP  70          2HB       ASP  70  -4.075  -0.176  15.920
  477   2HB   ASP  70          3HB       ASP  70  -5.691  -0.510  15.301
  478    H    ALA  71           HN       ALA  71  -6.182  -1.039  12.936
  479    HA   ALA  71           HA       ALA  71  -7.563  -3.534  13.040
  480   1HB   ALA  71          3HB       ALA  71  -7.823  -1.131  11.200
  481   2HB   ALA  71          1HB       ALA  71  -9.022  -2.441  11.311
  482   3HB   ALA  71          2HB       ALA  71  -8.702  -1.394  12.713
  483    H    GLY  72           HN       GLY  72  -5.008  -2.372  10.914
  484   1HA   GLY  72          2HA       GLY  72  -3.669  -3.929   9.796
  485   2HA   GLY  72          3HA       GLY  72  -5.065  -4.963   9.471
  486    H    TYR  73           HN       TYR  73  -4.608  -1.368   9.100
  487    HA   TYR  73           HA       TYR  73  -4.742  -1.787   6.162
  488   1HB   TYR  73          2HB       TYR  73  -5.943   0.452   7.780
  489   2HB   TYR  73          3HB       TYR  73  -5.752   0.473   6.031
  490    HD1  TYR  73           HD2      TYR  73  -6.909  -1.151   4.567
  491    HD2  TYR  73           HD1      TYR  73  -7.686  -0.983   8.800
  492    HE1  TYR  73           HE2      TYR  73  -9.029  -2.354   4.225
  493    HE2  TYR  73           HE1      TYR  73  -9.815  -2.165   8.457
  494    HH   TYR  73           HOH      TYR  73 -11.008  -3.100   5.195
  495    H    VAL  74           HN       VAL  74  -3.462  -0.483   4.825
  496    HA   VAL  74           HA       VAL  74  -1.400   1.242   5.808
  497    HB   VAL  74           HB       VAL  74  -1.095  -1.442   6.300
  498   1HG1  VAL  74          2HG1      VAL  74  -0.808  -2.104   4.020
  499   2HG1  VAL  74          3HG1      VAL  74   0.695  -1.168   3.886
  500   3HG1  VAL  74          1HG1      VAL  74   0.614  -2.488   5.008
  501   1HG2  VAL  74          3HG2      VAL  74   1.020   0.628   6.226
  502   2HG2  VAL  74          1HG2      VAL  74   0.146  -0.121   7.594
  503   3HG2  VAL  74          2HG2      VAL  74   1.344  -1.052   6.719
  504    H    LEU  75           HN       LEU  75   0.359   1.154   3.951
  505    HA   LEU  75           HA       LEU  75   1.013   1.105   1.807
  506   1HB   LEU  75          2HB       LEU  75  -0.604  -1.032   1.712
  507   2HB   LEU  75          3HB       LEU  75  -1.579   0.042   0.728
  508    HG   LEU  75           HG       LEU  75   0.677   0.440  -0.617
  509   1HD1  LEU  75          2HD1      LEU  75   1.309  -1.994   1.089
  510   2HD1  LEU  75          3HD1      LEU  75   2.016  -1.761  -0.505
  511   3HD1  LEU  75          1HD1      LEU  75   2.305  -0.563   0.766
  512   1HD2  LEU  75          3HD2      LEU  75  -1.339  -0.769  -1.446
  513   2HD2  LEU  75          1HD2      LEU  75   0.209  -1.312  -2.111
  514   3HD2  LEU  75          2HD2      LEU  75  -0.593  -2.282  -0.870
  515    H    THR  76           HN       THR  76   0.452   2.266  -0.262
  516    HA   THR  76           HA       THR  76  -0.254   4.031  -1.376
  517    HB   THR  76           HB       THR  76  -2.505   4.302  -1.719
  518    HG1  THR  76           HG1      THR  76  -3.452   4.903   0.167
  519   1HG2  THR  76          3HG2      THR  76  -1.889   1.792  -1.876
  520   2HG2  THR  76          1HG2      THR  76  -2.753   1.633  -0.334
  521   3HG2  THR  76          2HG2      THR  76  -3.600   2.242  -1.754
  522    H    CYS  77           HN       CYS  77  -1.302   6.364  -1.169
  523    HA   CYS  77           HA       CYS  77  -0.731   8.431  -0.404
  524   1HB   CYS  77          2HB       CYS  77  -2.247   6.892   1.571
  525   2HB   CYS  77          3HB       CYS  77  -1.372   8.221   2.287
  526    H    HIS  78           HN       HIS  78   1.542   6.456  -0.231
  527    HA   HIS  78           HA       HIS  78   3.832   6.936   0.114
  528   1HB   HIS  78          2HB       HIS  78   3.496   9.063   1.367
  529   2HB   HIS  78          3HB       HIS  78   3.123   8.112   2.819
  530    HD1  HIS  78           HND      HIS  78   5.984   9.677   1.130
  531    HD2  HIS  78           HD       HIS  78   5.256   6.394   3.664
  532    HE1  HIS  78           HE       HIS  78   8.208   9.086   2.227
  533    H    ALA  79           HN       ALA  79   4.740   4.956   0.394
  534    HA   ALA  79           HA       ALA  79   4.403   3.461   2.885
  535   1HB   ALA  79          2HB       ALA  79   3.095   2.575   0.283
  536   2HB   ALA  79          3HB       ALA  79   3.407   1.505   1.660
  537   3HB   ALA  79          1HB       ALA  79   2.317   2.906   1.851
  538    H    TYR  80           HN       TYR  80   6.446   2.798   3.206
  539    HA   TYR  80           HA       TYR  80   8.147   1.889   0.918
  540   1HB   TYR  80          2HB       TYR  80   8.789   2.874   3.714
  541   2HB   TYR  80          3HB       TYR  80   9.984   2.138   2.658
  542    HD1  TYR  80           HD2      TYR  80   9.710   3.236   0.054
  543    HD2  TYR  80           HD1      TYR  80   9.317   5.164   3.884
  544    HE1  TYR  80           HE2      TYR  80  10.163   5.438  -1.005
  545    HE2  TYR  80           HE1      TYR  80   9.985   7.305   2.867
  546    HH   TYR  80           HOH      TYR  80  10.431   8.431   0.912
  547    HA   PRO  81           HA       PRO  81   7.466  -2.151   2.756
  548   1HB   PRO  81          2HB       PRO  81   8.993  -3.595   0.888
  549   2HB   PRO  81          3HB       PRO  81   7.262  -3.192   0.765
  550   1HG   PRO  81          2HG       PRO  81   9.504  -2.051  -0.788
  551   2HG   PRO  81          3HG       PRO  81   7.751  -1.908  -1.017
  552   1HD   PRO  81          2HD       PRO  81   9.447   0.108   0.048
  553   2HD   PRO  81          3HD       PRO  81   7.698   0.121  -0.203
  554    H    THR  82           HN       THR  82   8.557  -2.779   4.624
  555    HA   THR  82           HA       THR  82  11.483  -2.275   4.708
  556    HB   THR  82           HB       THR  82  11.032  -2.563   7.170
  557    HG1  THR  82           HG1      THR  82   8.905  -3.621   6.789
  558   1HG2  THR  82          3HG2      THR  82  11.253  -0.360   6.039
  559   2HG2  THR  82          1HG2      THR  82   9.514  -0.365   5.689
  560   3HG2  THR  82          2HG2      THR  82  10.076  -0.302   7.370
  561    H    SER  83           HN       SER  83   9.360  -4.912   4.214
  562    HA   SER  83           HA       SER  83  11.529  -6.756   4.168
  563   1HB   SER  83          2HB       SER  83   9.234  -7.303   6.125
  564   2HB   SER  83          3HB       SER  83  10.561  -8.413   5.749
  565    HG   SER  83           HOG      SER  83  11.721  -6.189   6.499
  566    H    ASP  84           HN       ASP  84  10.094  -9.100   3.792
  567    HA   ASP  84           HA       ASP  84   8.479  -8.681   1.457
  568   1HB   ASP  84          2HB       ASP  84   7.890 -11.077   1.886
  569   2HB   ASP  84          3HB       ASP  84   9.634 -10.794   1.786
  570    H    VAL  85           HN       VAL  85   6.279  -8.703   1.350
  571    HA   VAL  85           HA       VAL  85   4.636  -8.622   3.774
  572    HB   VAL  85           HB       VAL  85   5.537  -6.424   3.963
  573   1HG1  VAL  85          3HG1      VAL  85   4.920  -6.077   1.027
  574   2HG1  VAL  85          1HG1      VAL  85   5.381  -4.744   2.097
  575   3HG1  VAL  85          2HG1      VAL  85   6.516  -6.063   1.813
  576   1HG2  VAL  85          2HG2      VAL  85   3.089  -6.466   4.330
  577   2HG2  VAL  85          3HG2      VAL  85   3.666  -4.929   3.745
  578   3HG2  VAL  85          1HG2      VAL  85   2.831  -6.015   2.626
  579    H    VAL  86           HN       VAL  86   2.373  -8.461   3.496
  580    HA   VAL  86           HA       VAL  86   1.442  -9.133   0.757
  581    HB   VAL  86           HB       VAL  86   0.726 -10.725   3.256
  582   1HG1  VAL  86          3HG1      VAL  86  -0.123 -10.758   0.362
  583   2HG1  VAL  86          1HG1      VAL  86  -0.128 -12.281   1.280
  584   3HG1  VAL  86          2HG1      VAL  86  -1.112 -10.911   1.787
  585   1HG2  VAL  86          1HG2      VAL  86   2.587 -11.457   0.937
  586   2HG2  VAL  86          2HG2      VAL  86   3.051 -11.277   2.642
  587   3HG2  VAL  86          3HG2      VAL  86   1.994 -12.601   2.158
  588    H    ILE  87           HN       ILE  87  -0.328  -7.899   0.343
  589    HA   ILE  87           HA       ILE  87  -1.979  -6.863   2.514
  590    HB   ILE  87           HB       ILE  87  -0.032  -5.473   2.582
  591   1HG1  ILE  87          2HG1      ILE  87  -1.930  -4.140   2.948
  592   2HG1  ILE  87          3HG1      ILE  87  -0.577  -3.311   2.188
  593   1HG2  ILE  87          3HG2      ILE  87  -0.239  -5.295  -0.423
  594   2HG2  ILE  87          1HG2      ILE  87   0.706  -4.148   0.523
  595   3HG2  ILE  87          2HG2      ILE  87   1.130  -5.866   0.548
  596   1HD1  ILE  87           HD3      ILE  87  -1.941  -4.061  -0.044
  597   2HD1  ILE  87           HD1      ILE  87  -3.238  -3.860   1.148
  598   3HD1  ILE  87           HD2      ILE  87  -2.108  -2.521   0.801
  599    H    GLU  88           HN       GLU  88  -4.026  -6.163   1.736
  600    HA   GLU  88           HA       GLU  88  -4.660  -6.808  -1.115
  601   1HB   GLU  88          2HB       GLU  88  -6.504  -5.993   1.056
  602   2HB   GLU  88          3HB       GLU  88  -6.954  -6.729  -0.489
  603   1HG   GLU  88          2HG       GLU  88  -6.197  -8.875   0.327
  604   2HG   GLU  88          3HG       GLU  88  -5.529  -8.133   1.795
  605    H    THR  89           HN       THR  89  -4.696  -5.190  -2.562
  606    HA   THR  89           HA       THR  89  -4.666  -2.389  -1.682
  607    HB   THR  89           HB       THR  89  -4.513  -2.069  -4.214
  608    HG1  THR  89           HG1      THR  89  -5.563  -4.282  -4.497
  609   1HG2  THR  89          3HG2      THR  89  -2.525  -3.959  -2.912
  610   2HG2  THR  89          1HG2      THR  89  -2.264  -3.014  -4.393
  611   3HG2  THR  89          2HG2      THR  89  -2.507  -2.182  -2.848
  612    H    HIS  90           HN       HIS  90  -6.142  -0.850  -2.992
  613    HA   HIS  90           HA       HIS  90  -8.158  -0.022  -3.577
  614   1HB   HIS  90          2HB       HIS  90  -9.051  -2.880  -4.121
  615   2HB   HIS  90          3HB       HIS  90  -9.886  -1.406  -4.578
  616    HD1  HIS  90           HND      HIS  90  -6.118  -1.869  -5.276
  617    HD2  HIS  90           HD       HIS  90  -9.880  -2.009  -7.129
  618    HE1  HIS  90           HE       HIS  90  -5.695  -2.430  -7.721
  619    H    LYS  91           HN       LYS  91  -7.753   0.046  -0.951
  620    HA   LYS  91           HA       LYS  91 -10.373  -0.806   0.235
  621   1HB   LYS  91          2HB       LYS  91  -7.686  -0.536   1.622
  622   2HB   LYS  91          3HB       LYS  91  -9.176  -1.169   2.295
  623   1HG   LYS  91          2HG       LYS  91  -7.721  -2.466  -0.079
  624   2HG   LYS  91          3HG       LYS  91  -7.591  -2.969   1.609
  625   1HD   LYS  91          2HD       LYS  91  -9.747  -3.418   1.864
  626   2HD   LYS  91          3HD       LYS  91 -10.268  -2.849   0.274
  627   1HE   LYS  91          2HE       LYS  91  -9.521  -4.687  -0.866
  628   2HE   LYS  91          3HE       LYS  91  -8.232  -4.974   0.296
  629   1HZ   LYS  91          2HNZ      LYS  91 -11.089  -5.412   0.938
  630   2HZ   LYS  91          3HNZ      LYS  91  -9.901  -6.648   0.643
  631   3HZ   LYS  91          1HNZ      LYS  91  -9.825  -5.681   1.910
  632    H    GLU  92           HN       GLU  92  -9.933   1.601  -1.177
  633    HA   GLU  92           HA       GLU  92  -9.699   3.831   0.569
  634   1HB   GLU  92          2HB       GLU  92  -9.631   3.979  -1.868
  635   2HB   GLU  92          3HB       GLU  92 -11.290   3.403  -2.032
  636   1HG   GLU  92          2HG       GLU  92 -10.643   5.821  -0.348
  637   2HG   GLU  92          3HG       GLU  92 -10.765   5.969  -2.122
  638    H    GLU  93           HN       GLU  93 -12.801   2.630  -0.791
  639    HA   GLU  93           HA       GLU  93 -14.150   3.597   1.511
  640   1HB   GLU  93          2HB       GLU  93 -14.877   2.774  -1.197
  641   2HB   GLU  93          3HB       GLU  93 -15.980   1.990  -0.080
  642   1HG   GLU  93          2HG       GLU  93 -16.378   4.270   0.977
  643   2HG   GLU  93          3HG       GLU  93 -15.482   4.952  -0.394
  644    H    GLU  94           HN       GLU  94 -12.420   1.846   2.500
  645    HA   GLU  94           HA       GLU  94 -14.183  -0.116   3.851
  646   1HB   GLU  94          2HB       GLU  94 -11.264  -0.634   3.110
  647   2HB   GLU  94          3HB       GLU  94 -12.152  -1.429   4.412
  648   1HG   GLU  94          2HG       GLU  94 -13.849  -2.182   2.628
  649   2HG   GLU  94          3HG       GLU  94 -12.642  -1.690   1.437
  650    H    ILE  95           HN       ILE  95 -11.127   1.857   3.919
  651    HA   ILE  95           HA       ILE  95 -10.953   1.671   6.737
  652    HB   ILE  95           HB       ILE  95  -9.072   3.147   6.516
  653   1HG1  ILE  95          2HG1      ILE  95  -9.410   3.233   3.513
  654   2HG1  ILE  95          3HG1      ILE  95 -10.266   4.407   4.505
  655   1HG2  ILE  95          1HG2      ILE  95  -8.939   0.771   6.100
  656   2HG2  ILE  95          2HG2      ILE  95  -9.113   0.996   4.358
  657   3HG2  ILE  95          3HG2      ILE  95  -7.701   1.667   5.200
  658   1HD1  ILE  95           HD2      ILE  95  -7.315   4.018   4.854
  659   2HD1  ILE  95           HD3      ILE  95  -8.039   5.119   3.644
  660   3HD1  ILE  95           HD1      ILE  95  -8.350   5.352   5.386
  661    H    VAL  96           HN       VAL  96 -12.446   4.166   4.737
  662    HA   VAL  96           HA       VAL  96 -12.669   6.014   7.058
  663    HB   VAL  96           HB       VAL  96 -13.493   7.594   5.463
  664   1HG1  VAL  96          1HG1      VAL  96 -11.091   7.430   6.147
  665   2HG1  VAL  96          2HG1      VAL  96 -10.788   6.455   4.698
  666   3HG1  VAL  96          3HG1      VAL  96 -11.340   8.121   4.536
  667   1HG2  VAL  96          2HG2      VAL  96 -14.374   6.112   3.672
  668   2HG2  VAL  96          3HG2      VAL  96 -13.190   7.273   3.065
  669   3HG2  VAL  96          1HG2      VAL  96 -12.721   5.586   3.300
   
  No H/Q in entry =         668
  Start of MODEL   13
    1   1H    ALA   1          1HN       ALA   1  15.895  -4.847   1.721
    2   2H    ALA   1          2HN       ALA   1  16.548  -3.401   1.277
    3   2H    ALA   1          3HN       ALA   1  16.548  -3.401   1.277
    4    HA   ALA   1           HA       ALA   1  16.965  -3.921  -0.814
    5   1HB   ALA   1          1HB       ALA   1  18.801  -5.068   0.043
    6   2HB   ALA   1          2HB       ALA   1  17.820  -6.534   0.325
    7   3HB   ALA   1          3HB       ALA   1  18.099  -5.951  -1.357
    8    H    THR   2           HN       THR   2  14.861  -3.824  -1.629
    9    HA   THR   2           HA       THR   2  13.304  -4.703  -3.095
   10    HB   THR   2           HB       THR   2  15.618  -6.607  -3.463
   11    HG1  THR   2           HG1      THR   2  15.408  -3.915  -4.319
   12   1HG2  THR   2          3HG2      THR   2  13.703  -5.253  -5.429
   13   2HG2  THR   2          1HG2      THR   2  15.130  -6.205  -5.882
   14   3HG2  THR   2          2HG2      THR   2  13.775  -6.983  -5.050
   15    H    TYR   3           HN       TYR   3  11.724  -5.432  -1.510
   16    HA   TYR   3           HA       TYR   3  11.817  -8.343  -0.890
   17   1HB   TYR   3          2HB       TYR   3  10.011  -6.192   0.236
   18   2HB   TYR   3          3HB       TYR   3  10.198  -7.843   0.806
   19    HD1  TYR   3           HD1      TYR   3  12.929  -8.437   1.158
   20    HD2  TYR   3           HD2      TYR   3  11.025  -4.590   1.571
   21    HE1  TYR   3           HE1      TYR   3  14.870  -7.597   2.435
   22    HE2  TYR   3           HE2      TYR   3  12.849  -3.852   3.054
   23    HH   TYR   3           HOH      TYR   3  14.945  -4.379   3.909
   24    H    ASN   4           HN       ASN   4   9.990  -9.661  -0.959
   25    HA   ASN   4           HA       ASN   4   8.266  -9.603  -3.217
   26   1HB   ASN   4          2HB       ASN   4   9.052 -11.695  -2.261
   27   2HB   ASN   4          3HB       ASN   4   8.535 -11.217  -0.639
   28   1HD2  ASN   4          2HND      ASN   4   5.361 -11.970  -3.132
   29   2HD2  ASN   4          1HND      ASN   4   6.579 -10.740  -3.535
   30    H    VAL   5           HN       VAL   5   6.874  -7.865  -3.224
   31    HA   VAL   5           HA       VAL   5   5.088  -7.516  -0.852
   32    HB   VAL   5           HB       VAL   5   5.463  -5.644  -3.189
   33   1HG1  VAL   5          2HG1      VAL   5   3.885  -5.453  -0.568
   34   2HG1  VAL   5          3HG1      VAL   5   4.167  -4.107  -1.671
   35   3HG1  VAL   5          1HG1      VAL   5   3.213  -5.493  -2.201
   36   1HG2  VAL   5          2HG2      VAL   5   6.646  -5.686  -0.382
   37   2HG2  VAL   5          3HG2      VAL   5   7.480  -5.555  -1.931
   38   3HG2  VAL   5          1HG2      VAL   5   6.487  -4.204  -1.335
   39    H    LYS   6           HN       LYS   6   3.385  -8.987  -1.079
   40    HA   LYS   6           HA       LYS   6   2.178  -9.293  -3.733
   41   1HB   LYS   6          2HB       LYS   6   2.255 -11.155  -2.137
   42   2HB   LYS   6          3HB       LYS   6   1.121 -10.251  -1.104
   43   1HG   LYS   6          2HG       LYS   6  -0.469 -10.069  -3.081
   44   2HG   LYS   6          3HG       LYS   6   0.670 -11.036  -4.028
   45   1HD   LYS   6          2HD       LYS   6  -0.872 -11.881  -1.534
   46   2HD   LYS   6          3HD       LYS   6  -1.178 -12.268  -3.220
   47   1HE   LYS   6          2HE       LYS   6   1.293 -13.179  -3.234
   48   2HE   LYS   6          3HE       LYS   6   1.147 -13.173  -1.479
   49   1HZ   LYS   6          3HNZ      LYS   6  -0.804 -14.476  -3.311
   50   2HZ   LYS   6          1HNZ      LYS   6   0.464 -15.297  -2.630
   51   3HZ   LYS   6          2HNZ      LYS   6  -0.742 -14.659  -1.694
   52    H    LEU   7           HN       LEU   7   0.541  -8.180  -4.563
   53    HA   LEU   7           HA       LEU   7  -1.140  -6.490  -2.799
   54   1HB   LEU   7          2HB       LEU   7  -0.327  -6.224  -5.710
   55   2HB   LEU   7          3HB       LEU   7  -1.507  -5.174  -4.938
   56    HG   LEU   7           HG       LEU   7   1.440  -5.443  -4.199
   57   1HD1  LEU   7          3HD1      LEU   7  -0.067  -3.484  -5.917
   58   2HD1  LEU   7          1HD1      LEU   7   1.565  -3.151  -5.309
   59   3HD1  LEU   7          2HD1      LEU   7   1.285  -4.521  -6.412
   60   1HD2  LEU   7          3HD2      LEU   7  -0.292  -4.540  -2.460
   61   2HD2  LEU   7          1HD2      LEU   7   1.151  -3.558  -2.788
   62   3HD2  LEU   7          2HD2      LEU   7  -0.407  -3.133  -3.522
   63    H    ILE   8           HN       ILE   8  -2.784  -7.733  -2.229
   64    HA   ILE   8           HA       ILE   8  -4.039  -9.554  -4.166
   65    HB   ILE   8           HB       ILE   8  -4.710  -8.704  -1.368
   66   1HG1  ILE   8          2HG1      ILE   8  -4.003 -11.482  -2.186
   67   2HG1  ILE   8          3HG1      ILE   8  -2.706 -10.303  -1.949
   68   1HG2  ILE   8          3HG2      ILE   8  -6.128 -10.689  -3.184
   69   2HG2  ILE   8          1HG2      ILE   8  -6.433 -10.506  -1.445
   70   3HG2  ILE   8          2HG2      ILE   8  -6.809  -9.179  -2.544
   71   1HD1  ILE   8           HD1      ILE   8  -4.790 -11.026   0.137
   72   2HD1  ILE   8           HD2      ILE   8  -3.106 -11.577   0.088
   73   3HD1  ILE   8           HD3      ILE   8  -3.460  -9.852   0.314
   74    H    THR   9           HN       THR   9  -4.543  -8.271  -5.908
   75    HA   THR   9           HA       THR   9  -6.203  -5.906  -5.568
   76    HB   THR   9           HB       THR   9  -6.045  -5.921  -8.025
   77    HG1  THR   9           HG1      THR   9  -5.669  -8.235  -8.300
   78   1HG2  THR   9          1HG2      THR   9  -3.340  -6.287  -6.630
   79   2HG2  THR   9          2HG2      THR   9  -3.587  -5.521  -8.206
   80   3HG2  THR   9          3HG2      THR   9  -4.250  -4.749  -6.756
   81    HA   PRO  10           HA       PRO  10 -10.112  -7.962  -6.088
   82   1HB   PRO  10          2HB       PRO  10 -10.698  -6.155  -8.379
   83   2HB   PRO  10          3HB       PRO  10 -11.648  -6.477  -6.888
   84   1HG   PRO  10          2HG       PRO  10 -10.238  -4.235  -7.251
   85   2HG   PRO  10          3HG       PRO  10 -10.333  -4.983  -5.638
   86   1HD   PRO  10          2HD       PRO  10  -8.080  -4.984  -7.500
   87   2HD   PRO  10          3HD       PRO  10  -8.093  -5.029  -5.769
   88    H    ASP  11           HN       ASP  11  -8.316  -7.245  -9.047
   89    HA   ASP  11           HA       ASP  11  -9.280  -8.958 -10.996
   90   1HB   ASP  11          2HB       ASP  11  -6.548  -7.823 -10.254
   91   2HB   ASP  11          3HB       ASP  11  -6.712  -8.932 -11.599
   92    H    GLY  12           HN       GLY  12  -7.308  -9.595  -8.189
   93   1HA   GLY  12          2HA       GLY  12  -7.485 -11.592  -7.135
   94   2HA   GLY  12          3HA       GLY  12  -7.404 -12.535  -8.647
   95    H    GLU  13           HN       GLU  13  -5.570 -10.126  -6.801
   96    HA   GLU  13           HA       GLU  13  -3.419  -9.887  -6.122
   97   1HB   GLU  13          2HB       GLU  13  -3.140 -12.739  -6.988
   98   2HB   GLU  13          3HB       GLU  13  -1.913 -11.827  -6.122
   99   1HG   GLU  13          2HG       GLU  13  -3.171 -11.700  -4.165
  100   2HG   GLU  13          3HG       GLU  13  -4.678 -12.207  -4.945
  101    H    VAL  14           HN       VAL  14  -1.315  -9.454  -6.840
  102    HA   VAL  14           HA       VAL  14  -0.752 -10.020  -9.716
  103    HB   VAL  14           HB       VAL  14  -1.810  -7.878  -9.562
  104   1HG1  VAL  14          3HG1      VAL  14  -1.128  -7.303  -7.292
  105   2HG1  VAL  14          1HG1      VAL  14   0.422  -6.699  -7.947
  106   3HG1  VAL  14          2HG1      VAL  14  -1.142  -5.999  -8.433
  107   1HG2  VAL  14          2HG2      VAL  14  -0.003  -8.338 -11.267
  108   2HG2  VAL  14          3HG2      VAL  14  -0.230  -6.625 -10.903
  109   3HG2  VAL  14          1HG2      VAL  14   1.147  -7.505 -10.197
  110    H    GLU  15           HN       GLU  15   0.689  -8.491  -6.881
  111    HA   GLU  15           HA       GLU  15   2.545  -8.858  -5.717
  112   1HB   GLU  15          2HB       GLU  15   1.909 -11.362  -6.035
  113   2HB   GLU  15          3HB       GLU  15   3.138 -11.386  -7.305
  114   1HG   GLU  15          2HG       GLU  15   4.893 -10.819  -5.733
  115   2HG   GLU  15          3HG       GLU  15   3.720 -10.565  -4.437
  116    H    PHE  16           HN       PHE  16   4.688  -8.289  -5.681
  117    HA   PHE  16           HA       PHE  16   6.296  -8.315  -8.052
  118   1HB   PHE  16          2HB       PHE  16   6.427  -6.169  -8.707
  119   2HB   PHE  16          3HB       PHE  16   4.721  -6.525  -8.636
  120    HD1  PHE  16           HD1      PHE  16   3.747  -6.021  -6.024
  121    HD2  PHE  16           HD2      PHE  16   7.110  -4.104  -7.948
  122    HE1  PHE  16           HE1      PHE  16   3.682  -4.266  -4.402
  123    HE2  PHE  16           HE2      PHE  16   6.959  -2.288  -6.380
  124    HZ   PHE  16           HZ       PHE  16   5.179  -2.230  -4.641
  125    H    LYS  17           HN       LYS  17   8.341  -6.999  -7.752
  126    HA   LYS  17           HA       LYS  17   9.281  -7.296  -4.975
  127   1HB   LYS  17          2HB       LYS  17  10.496  -7.800  -7.535
  128   2HB   LYS  17          3HB       LYS  17  11.348  -6.443  -6.801
  129   1HG   LYS  17          2HG       LYS  17  12.448  -8.463  -6.077
  130   2HG   LYS  17          3HG       LYS  17  11.593  -7.746  -4.706
  131   1HD   LYS  17          2HD       LYS  17  10.858  -9.863  -4.399
  132   2HD   LYS  17          3HD       LYS  17   9.622  -9.332  -5.539
  133   1HE   LYS  17          2HE       LYS  17  10.178 -10.863  -7.069
  134   2HE   LYS  17          3HE       LYS  17  11.871 -10.373  -7.064
  135   1HZ   LYS  17          1HNZ      LYS  17  10.635 -12.245  -5.158
  136   2HZ   LYS  17          2HNZ      LYS  17  11.628 -12.643  -6.405
  137   3HZ   LYS  17          3HNZ      LYS  17  12.213 -11.768  -5.141
  138    H    CYS  18           HN       CYS  18   9.486  -5.569  -3.708
  139    HA   CYS  18           HA       CYS  18   9.385  -2.860  -4.980
  140   1HB   CYS  18          2HB       CYS  18   7.324  -3.482  -3.800
  141   2HB   CYS  18          3HB       CYS  18   8.325  -3.500  -2.336
  142    HG   CYS  18           HSG      CYS  18   8.024  -1.126  -4.650
  143    H    ASP  19           HN       ASP  19  11.243  -1.709  -4.664
  144    HA   ASP  19           HA       ASP  19  13.287  -2.611  -2.849
  145   1HB   ASP  19          2HB       ASP  19  13.114   0.067  -4.251
  146   2HB   ASP  19          3HB       ASP  19  14.518  -0.668  -3.455
  147    H    ASP  20           HN       ASP  20  14.071  -1.676  -0.992
  148    HA   ASP  20           HA       ASP  20  11.918  -0.886   0.773
  149   1HB   ASP  20          2HB       ASP  20  13.797  -1.354   2.500
  150   2HB   ASP  20          3HB       ASP  20  13.345  -2.602   1.358
  151    H    ASP  21           HN       ASP  21  13.798   0.879  -1.271
  152    HA   ASP  21           HA       ASP  21  13.366   3.373   0.301
  153   1HB   ASP  21          2HB       ASP  21  15.609   2.567  -1.599
  154   2HB   ASP  21          3HB       ASP  21  15.254   4.247  -1.208
  155    H    VAL  22           HN       VAL  22  11.538   1.762  -1.689
  156    HA   VAL  22           HA       VAL  22  10.935   4.208  -3.271
  157    HB   VAL  22           HB       VAL  22  12.129   2.328  -4.611
  158   1HG1  VAL  22          1HG1      VAL  22  10.636   0.467  -3.761
  159   2HG1  VAL  22          2HG1      VAL  22   9.330   1.154  -4.728
  160   3HG1  VAL  22          3HG1      VAL  22  10.824   0.582  -5.503
  161   1HG2  VAL  22          3HG2      VAL  22  10.997   4.301  -5.607
  162   2HG2  VAL  22          1HG2      VAL  22  10.784   2.838  -6.588
  163   3HG2  VAL  22          2HG2      VAL  22   9.459   3.411  -5.559
  164    H    TYR  23           HN       TYR  23   8.699   4.564  -3.705
  165    HA   TYR  23           HA       TYR  23   6.953   3.625  -1.603
  166   1HB   TYR  23          2HB       TYR  23   6.407   5.065  -4.212
  167   2HB   TYR  23          3HB       TYR  23   5.138   4.598  -3.090
  168    HD1  TYR  23           HD2      TYR  23   7.735   5.619  -0.936
  169    HD2  TYR  23           HD1      TYR  23   4.813   7.146  -3.724
  170    HE1  TYR  23           HE2      TYR  23   7.781   7.811   0.194
  171    HE2  TYR  23           HE1      TYR  23   4.925   9.361  -2.610
  172    HH   TYR  23           HOH      TYR  23   6.938   9.963   0.275
  173    H    VAL  24           HN       VAL  24   5.453   1.984  -1.651
  174    HA   VAL  24           HA       VAL  24   5.714  -0.228  -3.301
  175    HB   VAL  24           HB       VAL  24   3.032   0.621  -2.156
  176   1HG1  VAL  24          2HG1      VAL  24   3.079  -1.402  -3.658
  177   2HG1  VAL  24          3HG1      VAL  24   4.337  -2.088  -2.593
  178   3HG1  VAL  24          1HG1      VAL  24   2.698  -1.805  -1.976
  179   1HG2  VAL  24          2HG2      VAL  24   5.459  -0.633  -0.797
  180   2HG2  VAL  24          3HG2      VAL  24   4.518   0.782  -0.284
  181   3HG2  VAL  24          1HG2      VAL  24   3.794  -0.815  -0.190
  182    H    LEU  25           HN       LEU  25   3.196   2.313  -3.793
  183    HA   LEU  25           HA       LEU  25   2.262   1.246  -6.191
  184   1HB   LEU  25          2HB       LEU  25   1.091   3.235  -6.583
  185   2HB   LEU  25          3HB       LEU  25   1.148   2.945  -4.844
  186    HG   LEU  25           HG       LEU  25   3.013   4.683  -4.699
  187   1HD1  LEU  25          3HD1      LEU  25   2.574   4.827  -7.646
  188   2HD1  LEU  25          1HD1      LEU  25   2.366   6.377  -6.842
  189   3HD1  LEU  25          2HD1      LEU  25   3.879   5.535  -6.656
  190   1HD2  LEU  25          1HD2      LEU  25   0.598   4.939  -4.206
  191   2HD2  LEU  25          2HD2      LEU  25   1.365   6.466  -4.724
  192   3HD2  LEU  25          3HD2      LEU  25   0.330   5.539  -5.842
  193    H    ASP  26           HN       ASP  26   5.068   3.359  -5.704
  194    HA   ASP  26           HA       ASP  26   5.173   4.463  -8.320
  195   1HB   ASP  26          2HB       ASP  26   6.353   5.363  -6.396
  196   2HB   ASP  26          3HB       ASP  26   7.362   3.929  -6.276
  197    H    GLN  27           HN       GLN  27   7.211   1.939  -6.874
  198    HA   GLN  27           HA       GLN  27   8.208   1.050  -9.328
  199   1HB   GLN  27          2HB       GLN  27   9.322   0.778  -7.247
  200   2HB   GLN  27          3HB       GLN  27   8.110  -0.359  -6.637
  201   1HG   GLN  27          2HG       GLN  27   8.804  -2.038  -8.146
  202   2HG   GLN  27          3HG       GLN  27   9.535  -0.869  -9.258
  203   1HE2  GLN  27          2HNE      GLN  27  12.703  -0.882  -7.580
  204   2HE2  GLN  27          1HNE      GLN  27  11.782  -0.316  -8.993
  205    H    ALA  28           HN       ALA  28   5.307  -0.012  -7.440
  206    HA   ALA  28           HA       ALA  28   4.614  -2.266  -8.959
  207   1HB   ALA  28          1HB       ALA  28   3.443  -1.417  -6.912
  208   2HB   ALA  28          2HB       ALA  28   2.697  -0.157  -7.940
  209   3HB   ALA  28          3HB       ALA  28   2.351  -1.849  -8.218
  210    H    GLU  29           HN       GLU  29   3.527   1.126  -9.571
  211    HA   GLU  29           HA       GLU  29   2.226   0.564 -12.014
  212   1HB   GLU  29          2HB       GLU  29   3.384   3.149 -10.880
  213   2HB   GLU  29          3HB       GLU  29   2.509   3.054 -12.417
  214   1HG   GLU  29          2HG       GLU  29   0.544   2.069 -11.246
  215   2HG   GLU  29          3HG       GLU  29   1.373   2.288  -9.700
  216    H    GLU  30           HN       GLU  30   5.661   1.514 -11.283
  217    HA   GLU  30           HA       GLU  30   6.606   1.582 -13.937
  218   1HB   GLU  30          2HB       GLU  30   8.037   0.606 -11.476
  219   2HB   GLU  30          3HB       GLU  30   8.793   0.842 -13.033
  220   1HG   GLU  30          2HG       GLU  30   7.261   3.193 -11.938
  221   2HG   GLU  30          3HG       GLU  30   8.788   2.766 -11.166
  222    H    GLU  31           HN       GLU  31   5.942  -1.320 -11.968
  223    HA   GLU  31           HA       GLU  31   6.972  -3.040 -14.090
  224   1HB   GLU  31          2HB       GLU  31   5.099  -3.877 -11.868
  225   2HB   GLU  31          3HB       GLU  31   6.264  -4.856 -12.767
  226   1HG   GLU  31          2HG       GLU  31   7.697  -2.640 -11.627
  227   2HG   GLU  31          3HG       GLU  31   6.606  -3.220 -10.392
  228    H    GLY  32           HN       GLY  32   4.004  -1.454 -13.363
  229   1HA   GLY  32          2HA       GLY  32   2.519  -0.965 -15.233
  230   2HA   GLY  32          3HA       GLY  32   2.655  -2.641 -15.777
  231    H    ILE  33           HN       ILE  33   2.526  -2.203 -12.311
  232    HA   ILE  33           HA       ILE  33  -0.002  -3.631 -12.227
  233    HB   ILE  33           HB       ILE  33   1.616  -2.320 -10.069
  234   1HG1  ILE  33          2HG1      ILE  33   1.611  -5.147 -11.134
  235   2HG1  ILE  33          3HG1      ILE  33   2.924  -4.002 -11.367
  236   1HG2  ILE  33          1HG2      ILE  33  -0.864  -3.064  -9.575
  237   2HG2  ILE  33          2HG2      ILE  33  -0.243  -4.681  -9.804
  238   3HG2  ILE  33          3HG2      ILE  33   0.391  -3.668  -8.488
  239   1HD1  ILE  33           HD3      ILE  33   2.674  -4.022  -8.582
  240   2HD1  ILE  33           HD1      ILE  33   2.487  -5.718  -9.067
  241   3HD1  ILE  33           HD2      ILE  33   3.910  -4.771  -9.585
  242    H    ASP  34           HN       ASP  34  -1.931  -2.768 -12.153
  243    HA   ASP  34           HA       ASP  34  -2.359   0.155 -11.756
  244   1HB   ASP  34          2HB       ASP  34  -3.371  -1.011 -13.683
  245   2HB   ASP  34          3HB       ASP  34  -4.312  -2.036 -12.568
  246    H    ILE  35           HN       ILE  35  -2.862   0.916  -9.793
  247    HA   ILE  35           HA       ILE  35  -4.515  -0.617  -7.977
  248    HB   ILE  35           HB       ILE  35  -3.147  -0.561  -6.109
  249   1HG1  ILE  35          2HG1      ILE  35  -1.014   1.040  -7.584
  250   2HG1  ILE  35          3HG1      ILE  35  -2.108   1.666  -6.340
  251   1HG2  ILE  35          2HG2      ILE  35  -2.614  -2.380  -7.691
  252   2HG2  ILE  35          3HG2      ILE  35  -1.227  -1.389  -8.257
  253   3HG2  ILE  35          1HG2      ILE  35  -1.324  -1.960  -6.588
  254   1HD1  ILE  35           HD1      ILE  35  -1.219  -0.239  -4.827
  255   2HD1  ILE  35           HD2      ILE  35   0.126  -0.352  -5.979
  256   3HD1  ILE  35           HD3      ILE  35  -0.164   1.155  -5.109
  257    HA   PRO  36           HA       PRO  36  -6.318   3.234  -7.442
  258   1HB   PRO  36          2HB       PRO  36  -6.314   3.306  -4.486
  259   2HB   PRO  36          3HB       PRO  36  -7.686   3.178  -5.609
  260   1HG   PRO  36          2HG       PRO  36  -6.707   1.084  -4.046
  261   2HG   PRO  36          3HG       PRO  36  -7.653   0.885  -5.551
  262   1HD   PRO  36          2HD       PRO  36  -4.712   0.539  -5.142
  263   2HD   PRO  36          3HD       PRO  36  -5.797  -0.213  -6.310
  264    H    TYR  37           HN       TYR  37  -5.613   5.427  -7.339
  265    HA   TYR  37           HA       TYR  37  -3.745   6.404  -5.430
  266   1HB   TYR  37          2HB       TYR  37  -2.078   5.192  -6.712
  267   2HB   TYR  37          3HB       TYR  37  -2.710   5.794  -8.233
  268    HD1  TYR  37           HD2      TYR  37  -2.085   7.919  -5.194
  269    HD2  TYR  37           HD1      TYR  37  -0.580   6.616  -9.016
  270    HE1  TYR  37           HE2      TYR  37  -0.112   9.348  -4.898
  271    HE2  TYR  37           HE1      TYR  37   1.335   8.132  -8.777
  272    HH   TYR  37           HOH      TYR  37   2.506   9.449  -7.338
  273    H    SER  38           HN       SER  38  -3.475   7.659  -8.672
  274    HA   SER  38           HA       SER  38  -4.060   9.671  -9.532
  275   1HB   SER  38          2HB       SER  38  -6.582  10.146  -9.515
  276   2HB   SER  38          3HB       SER  38  -6.010   8.651 -10.267
  277    HG   SER  38           HOG      SER  38  -6.741   8.548  -7.575
  278    H    CYS  39           HN       CYS  39  -2.683  10.093  -7.377
  279    HA   CYS  39           HA       CYS  39  -3.679  12.568  -6.137
  280   1HB   CYS  39          2HB       CYS  39  -4.377  10.803  -4.622
  281   2HB   CYS  39          3HB       CYS  39  -2.793  10.028  -4.791
  282    H    ARG  40           HN       ARG  40  -1.656  13.417  -4.871
  283    HA   ARG  40           HA       ARG  40   0.622  11.916  -4.771
  284   1HB   ARG  40          2HB       ARG  40   1.108  12.507  -7.079
  285   2HB   ARG  40          3HB       ARG  40   0.876  14.234  -6.738
  286   1HG   ARG  40          2HG       ARG  40   2.892  14.293  -5.413
  287   2HG   ARG  40          3HG       ARG  40   3.021  12.512  -5.409
  288   1HD   ARG  40          2HD       ARG  40   3.441  12.429  -7.759
  289   2HD   ARG  40          3HD       ARG  40   3.005  14.147  -7.965
  290    HE   ARG  40           HNE      ARG  40   5.186  13.935  -6.139
  291   1HH1  ARG  40          2HN2      ARG  40   4.470  13.441  -9.540
  292   2HH1  ARG  40          1HN2      ARG  40   5.997  14.007 -10.142
  293   1HH2  ARG  40          2HN1      ARG  40   7.248  14.732  -6.873
  294   2HH2  ARG  40          1HN1      ARG  40   7.629  14.749  -8.565
  295    H    ALA  41           HN       ALA  41   1.981  12.798  -3.178
  296    HA   ALA  41           HA       ALA  41   2.746  14.136  -1.542
  297   1HB   ALA  41          3HB       ALA  41   2.328  16.164  -2.937
  298   2HB   ALA  41          1HB       ALA  41   0.723  16.306  -2.180
  299   3HB   ALA  41          2HB       ALA  41   2.175  16.403  -1.186
  300    H    GLY  42           HN       GLY  42   2.226  12.796   0.070
  301   1HA   GLY  42          2HA       GLY  42  -0.058  11.840   1.089
  302   2HA   GLY  42          3HA       GLY  42   1.326  12.284   2.092
  303    H    SER  43           HN       SER  43  -1.799  12.533   2.113
  304    HA   SER  43           HA       SER  43  -2.847  13.686   3.960
  305   1HB   SER  43          2HB       SER  43  -1.080  15.477   4.198
  306   2HB   SER  43          3HB       SER  43  -1.820  16.286   2.795
  307    HG   SER  43           HOG      SER  43  -2.666  17.033   4.782
  308    H    CYS  44           HN       CYS  44  -4.288  12.500   2.602
  309    HA   CYS  44           HA       CYS  44  -5.824  14.080   0.633
  310   1HB   CYS  44          2HB       CYS  44  -5.456  12.522  -1.071
  311   2HB   CYS  44          3HB       CYS  44  -3.863  12.811  -0.381
  312    H    SER  45           HN       SER  45  -7.144  11.562  -0.226
  313    HA   SER  45           HA       SER  45  -8.137  10.212   2.048
  314   1HB   SER  45          2HB       SER  45  -9.542  12.389   2.065
  315   2HB   SER  45          3HB       SER  45 -10.247  11.815   0.539
  316    HG   SER  45           HOG      SER  45 -10.271  10.523   3.082
  317    H    SER  46           HN       SER  46  -9.802   8.590   1.245
  318    HA   SER  46           HA       SER  46 -10.319   6.840  -0.089
  319   1HB   SER  46          2HB       SER  46 -10.039   8.822  -2.384
  320   2HB   SER  46          3HB       SER  46 -10.920   7.294  -2.408
  321    HG   SER  46           HOG      SER  46 -12.301   8.125  -0.795
  322    H    CYS  47           HN       CYS  47  -7.845   6.462   0.701
  323    HA   CYS  47           HA       CYS  47  -6.791   4.833  -1.454
  324   1HB   CYS  47          2HB       CYS  47  -5.299   6.200  -2.174
  325   2HB   CYS  47          3HB       CYS  47  -5.681   7.426  -0.957
  326    H    ALA  48           HN       ALA  48  -6.344   2.913  -0.523
  327    HA   ALA  48           HA       ALA  48  -4.663   2.631   1.702
  328   1HB   ALA  48          1HB       ALA  48  -7.628   2.242   2.329
  329   2HB   ALA  48          2HB       ALA  48  -6.305   1.619   3.338
  330   3HB   ALA  48          3HB       ALA  48  -6.490   3.352   3.124
  331    H    GLY  49           HN       GLY  49  -4.424   0.435   2.386
  332   1HA   GLY  49          2HA       GLY  49  -5.812  -1.662   0.880
  333   2HA   GLY  49          3HA       GLY  49  -4.039  -1.686   0.942
  334    H    LYS  50           HN       LYS  50  -5.502  -3.797   2.047
  335    HA   LYS  50           HA       LYS  50  -5.384  -3.443   4.946
  336   1HB   LYS  50          2HB       LYS  50  -7.267  -4.448   3.514
  337   2HB   LYS  50          3HB       LYS  50  -6.270  -5.899   3.392
  338   1HG   LYS  50          2HG       LYS  50  -6.379  -6.313   5.745
  339   2HG   LYS  50          3HG       LYS  50  -6.851  -4.631   6.075
  340   1HD   LYS  50          2HD       LYS  50  -8.908  -5.072   4.624
  341   2HD   LYS  50          3HD       LYS  50  -8.569  -6.800   4.862
  342   1HE   LYS  50          2HE       LYS  50  -8.634  -6.498   7.347
  343   2HE   LYS  50          3HE       LYS  50  -8.790  -4.766   7.154
  344   1HZ   LYS  50          3HNZ      LYS  50 -10.867  -5.147   5.935
  345   2HZ   LYS  50          1HNZ      LYS  50 -10.856  -6.710   6.423
  346   3HZ   LYS  50          2HNZ      LYS  50 -10.925  -5.476   7.531
  347    H    VAL  51           HN       VAL  51  -3.553  -3.997   5.989
  348    HA   VAL  51           HA       VAL  51  -1.350  -5.425   4.744
  349    HB   VAL  51           HB       VAL  51  -1.904  -4.677   7.682
  350   1HG1  VAL  51          3HG1      VAL  51  -0.106  -6.377   7.473
  351   2HG1  VAL  51          1HG1      VAL  51   0.757  -5.305   6.334
  352   3HG1  VAL  51          2HG1      VAL  51   0.506  -4.809   8.020
  353   1HG2  VAL  51          3HG2      VAL  51  -1.859  -2.670   6.266
  354   2HG2  VAL  51          1HG2      VAL  51  -0.455  -2.702   7.333
  355   3HG2  VAL  51          2HG2      VAL  51  -0.268  -3.161   5.626
  356    H    VAL  52           HN       VAL  52  -1.562  -7.558   4.336
  357    HA   VAL  52           HA       VAL  52  -3.234  -9.278   6.074
  358    HB   VAL  52           HB       VAL  52  -1.575  -9.818   3.608
  359   1HG1  VAL  52          1HG1      VAL  52  -3.519 -11.637   5.101
  360   2HG1  VAL  52          2HG1      VAL  52  -2.822 -11.988   3.507
  361   3HG1  VAL  52          3HG1      VAL  52  -1.768 -11.898   4.920
  362   1HG2  VAL  52          3HG2      VAL  52  -4.552  -9.392   4.029
  363   2HG2  VAL  52          1HG2      VAL  52  -3.425  -8.444   3.029
  364   3HG2  VAL  52          2HG2      VAL  52  -3.860 -10.092   2.556
  365    H    SER  53           HN       SER  53   0.226  -8.670   5.301
  366    HA   SER  53           HA       SER  53   1.008  -9.818   7.860
  367   1HB   SER  53          2HB       SER  53   0.781 -11.858   6.403
  368   2HB   SER  53          3HB       SER  53   2.006 -11.173   5.313
  369    HG   SER  53           HOG      SER  53   2.886 -12.620   6.901
  370    H    GLY  54           HN       GLY  54   3.663 -10.078   7.449
  371   1HA   GLY  54          2HA       GLY  54   5.630  -8.835   7.402
  372   2HA   GLY  54          3HA       GLY  54   4.994  -8.099   5.933
  373    H    SER  55           HN       SER  55   6.149  -6.115   6.690
  374    HA   SER  55           HA       SER  55   4.142  -4.374   7.789
  375   1HB   SER  55          2HB       SER  55   6.899  -4.323   9.055
  376   2HB   SER  55          3HB       SER  55   5.485  -3.372   9.482
  377    HG   SER  55           HOG      SER  55   4.606  -5.756   9.775
  378    H    ILE  56           HN       ILE  56   4.611  -2.171   7.193
  379    HA   ILE  56           HA       ILE  56   6.972  -1.638   5.562
  380    HB   ILE  56           HB       ILE  56   5.660  -0.620   3.828
  381   1HG1  ILE  56          2HG1      ILE  56   3.152  -1.628   5.181
  382   2HG1  ILE  56          3HG1      ILE  56   3.649   0.058   5.066
  383   1HG2  ILE  56          2HG2      ILE  56   6.070  -3.272   3.907
  384   2HG2  ILE  56          3HG2      ILE  56   4.319  -3.284   4.052
  385   3HG2  ILE  56          1HG2      ILE  56   5.075  -2.539   2.635
  386   1HD1  ILE  56           HD1      ILE  56   3.820  -0.505   2.438
  387   2HD1  ILE  56           HD2      ILE  56   2.665  -1.778   2.874
  388   3HD1  ILE  56           HD3      ILE  56   2.273  -0.073   3.143
  389    H    ASP  57           HN       ASP  57   7.293   0.708   5.438
  390    HA   ASP  57           HA       ASP  57   6.337   2.074   7.914
  391   1HB   ASP  57          2HB       ASP  57   8.789   1.748   7.632
  392   2HB   ASP  57          3HB       ASP  57   8.731   2.593   6.075
  393    H    GLN  58           HN       GLN  58   4.458   3.079   7.377
  394    HA   GLN  58           HA       GLN  58   4.473   4.857   4.982
  395   1HB   GLN  58          2HB       GLN  58   1.993   4.943   5.437
  396   2HB   GLN  58          3HB       GLN  58   2.597   3.362   4.933
  397   1HG   GLN  58          2HG       GLN  58   2.459   2.498   7.125
  398   2HG   GLN  58          3HG       GLN  58   2.376   4.094   7.867
  399   1HE2  GLN  58          2HNE      GLN  58  -0.963   2.454   7.911
  400   2HE2  GLN  58          1HNE      GLN  58   0.646   2.084   8.500
  401    H    SER  59           HN       SER  59   5.997   5.434   7.574
  402    HA   SER  59           HA       SER  59   4.354   7.452   8.891
  403   1HB   SER  59          2HB       SER  59   7.279   6.672   9.179
  404   2HB   SER  59          3HB       SER  59   6.441   7.858  10.189
  405    HG   SER  59           HOG      SER  59   4.892   6.143  10.654
  406    H    ASP  60           HN       ASP  60   4.145   8.215   6.549
  407    HA   ASP  60           HA       ASP  60   5.833  10.645   6.070
  408   1HB   ASP  60          2HB       ASP  60   6.389   8.437   4.735
  409   2HB   ASP  60          3HB       ASP  60   4.944   8.832   3.818
  410    H    GLN  61           HN       GLN  61   2.701   8.953   5.594
  411    HA   GLN  61           HA       GLN  61   1.467  11.009   4.065
  412   1HB   GLN  61          2HB       GLN  61  -0.104   9.417   3.704
  413   2HB   GLN  61          3HB       GLN  61   1.264   8.397   4.159
  414   1HG   GLN  61          2HG       GLN  61  -1.262   8.960   5.717
  415   2HG   GLN  61          3HG       GLN  61  -0.641   7.448   5.100
  416   1HE2  GLN  61          2HNE      GLN  61   0.022   7.006   8.570
  417   2HE2  GLN  61          1HNE      GLN  61  -1.319   6.894   7.441
  418    H    SER  62           HN       SER  62  -1.051  11.155   4.916
  419    HA   SER  62           HA       SER  62  -1.427  11.462   7.758
  420   1HB   SER  62          2HB       SER  62  -1.456  13.946   5.994
  421   2HB   SER  62          3HB       SER  62  -2.296  13.852   7.544
  422    HG   SER  62           HOG      SER  62   0.419  13.137   7.451
  423    H    PHE  63           HN       PHE  63  -2.869   9.679   7.003
  424    HA   PHE  63           HA       PHE  63  -5.471  10.799   6.520
  425   1HB   PHE  63          2HB       PHE  63  -5.026  10.623   4.203
  426   2HB   PHE  63          3HB       PHE  63  -4.313   9.015   4.385
  427    HD1  PHE  63           HD2      PHE  63  -7.581  10.124   5.932
  428    HD2  PHE  63           HD1      PHE  63  -5.636   7.840   2.803
  429    HE1  PHE  63           HE2      PHE  63  -9.524   8.658   5.779
  430    HE2  PHE  63           HE1      PHE  63  -7.595   6.390   2.702
  431    HZ   PHE  63           HZ       PHE  63  -9.558   6.789   4.145
  432    H    LEU  64           HN       LEU  64  -3.983   7.395   6.372
  433    HA   LEU  64           HA       LEU  64  -6.235   6.366   7.623
  434   1HB   LEU  64          2HB       LEU  64  -3.395   5.323   7.536
  435   2HB   LEU  64          3HB       LEU  64  -4.632   4.515   8.463
  436    HG   LEU  64           HG       LEU  64  -6.088   4.445   6.389
  437   1HD1  LEU  64          2HD1      LEU  64  -3.425   5.197   5.115
  438   2HD1  LEU  64          3HD1      LEU  64  -4.761   4.438   4.230
  439   3HD1  LEU  64          1HD1      LEU  64  -4.980   6.046   4.926
  440   1HD2  LEU  64          3HD2      LEU  64  -3.447   2.973   6.525
  441   2HD2  LEU  64          1HD2      LEU  64  -4.960   2.537   7.348
  442   3HD2  LEU  64          2HD2      LEU  64  -4.864   2.446   5.575
  443    H    ASP  65           HN       ASP  65  -6.797   5.883   9.712
  444    HA   ASP  65           HA       ASP  65  -5.474   7.469  11.809
  445   1HB   ASP  65          2HB       ASP  65  -7.898   5.654  12.033
  446   2HB   ASP  65          3HB       ASP  65  -7.398   6.905  13.179
  447    H    ASP  66           HN       ASP  66  -5.111   6.469  13.969
  448    HA   ASP  66           HA       ASP  66  -3.268   4.367  14.017
  449   1HB   ASP  66          2HB       ASP  66  -5.193   5.383  16.174
  450   2HB   ASP  66          3HB       ASP  66  -3.813   4.317  16.465
  451    H    GLU  67           HN       GLU  67  -6.765   4.464  14.549
  452    HA   GLU  67           HA       GLU  67  -7.256   1.846  15.315
  453   1HB   GLU  67          2HB       GLU  67  -9.265   3.165  13.470
  454   2HB   GLU  67          3HB       GLU  67  -9.454   2.332  15.010
  455   1HG   GLU  67          2HG       GLU  67  -8.287   4.409  16.030
  456   2HG   GLU  67          3HG       GLU  67  -8.648   5.177  14.465
  457    H    GLN  68           HN       GLN  68  -7.631   3.186  11.985
  458    HA   GLN  68           HA       GLN  68  -7.989   0.819  10.661
  459   1HB   GLN  68          2HB       GLN  68  -6.634   3.366   9.751
  460   2HB   GLN  68          3HB       GLN  68  -7.200   2.097   8.650
  461   1HG   GLN  68          2HG       GLN  68  -9.468   2.316   9.310
  462   2HG   GLN  68          3HG       GLN  68  -9.070   3.431  10.621
  463   1HE2  GLN  68          2HNE      GLN  68 -10.246   5.353   7.679
  464   2HE2  GLN  68          1HNE      GLN  68 -10.931   3.995   8.533
  465    H    MET  69           HN       MET  69  -4.790   2.496  11.236
  466    HA   MET  69           HA       MET  69  -3.157   0.585  10.016
  467   1HB   MET  69          2HB       MET  69  -2.665   2.200  12.542
  468   2HB   MET  69          3HB       MET  69  -1.434   1.322  11.638
  469   1HG   MET  69          2HG       MET  69  -1.775   2.792   9.693
  470   2HG   MET  69          3HG       MET  69  -3.139   3.519  10.441
  471   1HE   MET  69           HE3      MET  69  -2.286   5.845  10.052
  472   2HE   MET  69           HE1      MET  69  -0.670   6.446  10.487
  473   3HE   MET  69           HE2      MET  69  -0.855   5.175   9.234
  474    H    ASP  70           HN       ASP  70  -4.106   0.612  13.477
  475    HA   ASP  70           HA       ASP  70  -2.851  -1.807  14.239
  476   1HB   ASP  70          2HB       ASP  70  -3.754  -0.082  15.807
  477   2HB   ASP  70          3HB       ASP  70  -5.396  -0.513  15.326
  478    H    ALA  71           HN       ALA  71  -6.057  -1.107  13.026
  479    HA   ALA  71           HA       ALA  71  -7.284  -3.648  13.268
  480   1HB   ALA  71          3HB       ALA  71  -7.781  -1.349  11.349
  481   2HB   ALA  71          1HB       ALA  71  -8.913  -2.693  11.627
  482   3HB   ALA  71          2HB       ALA  71  -8.522  -1.554  12.939
  483    H    GLY  72           HN       GLY  72  -4.928  -2.470  10.922
  484   1HA   GLY  72          2HA       GLY  72  -3.633  -4.212   9.888
  485   2HA   GLY  72          3HA       GLY  72  -5.102  -5.088   9.495
  486    H    TYR  73           HN       TYR  73  -4.692  -1.510   9.181
  487    HA   TYR  73           HA       TYR  73  -4.843  -1.867   6.216
  488   1HB   TYR  73          2HB       TYR  73  -5.951   0.352   7.899
  489   2HB   TYR  73          3HB       TYR  73  -5.946   0.281   6.144
  490    HD1  TYR  73           HD1      TYR  73  -7.069  -1.683   4.959
  491    HD2  TYR  73           HD2      TYR  73  -7.799  -0.682   9.078
  492    HE1  TYR  73           HE1      TYR  73  -9.245  -2.772   4.837
  493    HE2  TYR  73           HE2      TYR  73  -9.990  -1.791   8.974
  494    HH   TYR  73           HOH      TYR  73 -11.268  -3.195   5.968
  495    H    VAL  74           HN       VAL  74  -3.876  -0.114   4.941
  496    HA   VAL  74           HA       VAL  74  -1.766   1.469   6.197
  497    HB   VAL  74           HB       VAL  74  -0.834  -0.790   5.962
  498   1HG1  VAL  74          1HG1      VAL  74  -2.020  -1.586   3.935
  499   2HG1  VAL  74          2HG1      VAL  74  -1.131  -0.403   2.947
  500   3HG1  VAL  74          3HG1      VAL  74  -0.264  -1.717   3.752
  501   1HG2  VAL  74          1HG2      VAL  74   0.631   1.084   5.964
  502   2HG2  VAL  74          2HG2      VAL  74   1.220  -0.258   5.024
  503   3HG2  VAL  74          3HG2      VAL  74   0.569   1.185   4.190
  504    H    LEU  75           HN       LEU  75  -1.046   3.153   4.788
  505    HA   LEU  75           HA       LEU  75  -2.781   3.860   2.594
  506   1HB   LEU  75          2HB       LEU  75  -1.226   5.332   4.167
  507   2HB   LEU  75          3HB       LEU  75   0.033   4.879   3.016
  508    HG   LEU  75           HG       LEU  75  -1.729   5.678   1.222
  509   1HD1  LEU  75          3HD1      LEU  75  -2.681   7.150   3.740
  510   2HD1  LEU  75          1HD1      LEU  75  -3.144   7.584   2.088
  511   3HD1  LEU  75          2HD1      LEU  75  -3.641   6.027   2.747
  512   1HD2  LEU  75          1HD2      LEU  75   0.197   7.149   2.847
  513   2HD2  LEU  75          2HD2      LEU  75   0.051   6.987   1.104
  514   3HD2  LEU  75          3HD2      LEU  75  -0.938   8.184   1.935
  515    H    THR  76           HN       THR  76  -2.332   3.574   0.312
  516    HA   THR  76           HA       THR  76  -0.464   1.354  -0.236
  517    HB   THR  76           HB       THR  76  -2.768   1.413  -1.139
  518    HG1  THR  76           HG1      THR  76  -0.624   1.259  -2.966
  519   1HG2  THR  76          3HG2      THR  76  -2.907   3.801  -1.855
  520   2HG2  THR  76          1HG2      THR  76  -1.699   3.482  -3.117
  521   3HG2  THR  76          2HG2      THR  76  -3.263   2.658  -3.156
  522    H    CYS  77           HN       CYS  77  -0.811   4.820  -0.979
  523    HA   CYS  77           HA       CYS  77   1.778   5.028  -2.316
  524   1HB   CYS  77          2HB       CYS  77   0.164   7.202  -1.042
  525   2HB   CYS  77          3HB       CYS  77   1.239   7.343  -2.432
  526    H    HIS  78           HN       HIS  78   3.166   6.909  -1.285
  527    HA   HIS  78           HA       HIS  78   4.717   7.392   0.389
  528   1HB   HIS  78          2HB       HIS  78   2.035   7.917   1.691
  529   2HB   HIS  78          3HB       HIS  78   3.557   8.605   2.213
  530    HD1  HIS  78           HND      HIS  78   1.180   8.798  -0.826
  531    HD2  HIS  78           HD       HIS  78   4.420  10.771   1.002
  532    HE1  HIS  78           HE       HIS  78   1.550  10.932  -2.137
  533    H    ALA  79           HN       ALA  79   4.854   4.802   0.307
  534    HA   ALA  79           HA       ALA  79   4.888   3.781   3.076
  535   1HB   ALA  79          2HB       ALA  79   3.218   2.650   0.794
  536   2HB   ALA  79          3HB       ALA  79   3.591   1.790   2.302
  537   3HB   ALA  79          1HB       ALA  79   2.630   3.275   2.350
  538    H    TYR  80           HN       TYR  80   6.773   2.745   3.316
  539    HA   TYR  80           HA       TYR  80   8.272   1.783   0.915
  540   1HB   TYR  80          2HB       TYR  80   9.118   2.651   3.692
  541   2HB   TYR  80          3HB       TYR  80  10.170   1.939   2.475
  542    HD1  TYR  80           HD2      TYR  80  10.364   3.114   0.201
  543    HD2  TYR  80           HD1      TYR  80   8.743   5.021   3.703
  544    HE1  TYR  80           HE2      TYR  80  10.774   5.335  -0.819
  545    HE2  TYR  80           HE1      TYR  80   9.231   7.240   2.729
  546    HH   TYR  80           HOH      TYR  80  10.171   8.377   0.983
  547    HA   PRO  81           HA       PRO  81   7.534  -2.181   2.870
  548   1HB   PRO  81          2HB       PRO  81   8.967  -3.747   1.015
  549   2HB   PRO  81          3HB       PRO  81   7.248  -3.293   0.938
  550   1HG   PRO  81          2HG       PRO  81   9.482  -2.238  -0.685
  551   2HG   PRO  81          3HG       PRO  81   7.711  -2.057  -0.888
  552   1HD   PRO  81          2HD       PRO  81   9.499  -0.083   0.068
  553   2HD   PRO  81          3HD       PRO  81   7.729  -0.026  -0.130
  554    H    THR  82           HN       THR  82   8.571  -2.858   4.685
  555    HA   THR  82           HA       THR  82  11.503  -2.407   4.859
  556    HB   THR  82           HB       THR  82  11.194  -2.605   7.254
  557    HG1  THR  82           HG1      THR  82   8.537  -3.274   6.560
  558   1HG2  THR  82          1HG2      THR  82  10.986  -0.440   6.054
  559   2HG2  THR  82          2HG2      THR  82   9.229  -0.659   5.973
  560   3HG2  THR  82          3HG2      THR  82  10.025  -0.497   7.550
  561    H    SER  83           HN       SER  83   9.352  -5.025   4.359
  562    HA   SER  83           HA       SER  83  11.507  -6.878   4.155
  563   1HB   SER  83          2HB       SER  83   9.391  -7.298   6.330
  564   2HB   SER  83          3HB       SER  83  10.419  -8.599   5.713
  565    HG   SER  83           HOG      SER  83  11.760  -6.311   6.538
  566    H    ASP  84           HN       ASP  84  10.050  -9.196   3.755
  567    HA   ASP  84           HA       ASP  84   8.363  -8.692   1.491
  568   1HB   ASP  84          2HB       ASP  84   7.770 -11.094   1.859
  569   2HB   ASP  84          3HB       ASP  84   9.510 -10.814   1.711
  570    H    VAL  85           HN       VAL  85   6.172  -8.681   1.406
  571    HA   VAL  85           HA       VAL  85   4.582  -8.654   3.860
  572    HB   VAL  85           HB       VAL  85   5.422  -6.449   4.090
  573   1HG1  VAL  85          3HG1      VAL  85   5.060  -6.263   1.117
  574   2HG1  VAL  85          1HG1      VAL  85   5.087  -4.786   2.082
  575   3HG1  VAL  85          2HG1      VAL  85   6.485  -5.867   2.095
  576   1HG2  VAL  85          1HG2      VAL  85   2.777  -6.758   4.019
  577   2HG2  VAL  85          2HG2      VAL  85   3.507  -5.201   4.227
  578   3HG2  VAL  85          3HG2      VAL  85   2.908  -5.692   2.627
  579    H    VAL  86           HN       VAL  86   2.360  -8.600   3.547
  580    HA   VAL  86           HA       VAL  86   1.434  -9.109   0.771
  581    HB   VAL  86           HB       VAL  86   0.569 -10.569   3.306
  582   1HG1  VAL  86          3HG1      VAL  86  -1.188 -10.226   1.452
  583   2HG1  VAL  86          1HG1      VAL  86  -0.138 -11.194   0.420
  584   3HG1  VAL  86          2HG1      VAL  86  -0.830 -11.912   1.875
  585   1HG2  VAL  86          3HG2      VAL  86   2.267 -11.535   0.955
  586   2HG2  VAL  86          1HG2      VAL  86   2.786 -11.403   2.647
  587   3HG2  VAL  86          2HG2      VAL  86   1.564 -12.598   2.191
  588    H    ILE  87           HN       ILE  87  -0.003  -7.506   0.315
  589    HA   ILE  87           HA       ILE  87  -1.783  -6.600   2.453
  590    HB   ILE  87           HB       ILE  87  -0.238  -4.923   2.504
  591   1HG1  ILE  87          2HG1      ILE  87  -2.628  -4.086   1.921
  592   2HG1  ILE  87          3HG1      ILE  87  -1.271  -2.962   1.938
  593   1HG2  ILE  87          3HG2      ILE  87   0.172  -5.049  -0.437
  594   2HG2  ILE  87          1HG2      ILE  87   0.769  -3.735   0.603
  595   3HG2  ILE  87          2HG2      ILE  87   1.331  -5.396   0.851
  596   1HD1  ILE  87           HD2      ILE  87  -2.009  -4.380  -0.604
  597   2HD1  ILE  87           HD3      ILE  87  -2.797  -2.881  -0.133
  598   3HD1  ILE  87           HD1      ILE  87  -1.051  -2.908  -0.370
  599    H    GLU  88           HN       GLU  88  -3.816  -5.886   1.671
  600    HA   GLU  88           HA       GLU  88  -4.483  -6.727  -1.122
  601   1HB   GLU  88          2HB       GLU  88  -6.377  -5.914   1.042
  602   2HB   GLU  88          3HB       GLU  88  -6.757  -6.795  -0.460
  603   1HG   GLU  88          2HG       GLU  88  -5.721  -8.799   0.560
  604   2HG   GLU  88          3HG       GLU  88  -5.311  -7.837   1.995
  605    H    THR  89           HN       THR  89  -5.043  -5.187  -2.609
  606    HA   THR  89           HA       THR  89  -4.817  -2.341  -1.719
  607    HB   THR  89           HB       THR  89  -4.689  -1.738  -4.019
  608    HG1  THR  89           HG1      THR  89  -5.054  -4.490  -4.567
  609   1HG2  THR  89          3HG2      THR  89  -2.849  -4.065  -3.367
  610   2HG2  THR  89          1HG2      THR  89  -2.593  -2.829  -4.619
  611   3HG2  THR  89          2HG2      THR  89  -2.626  -2.363  -2.907
  612    H    HIS  90           HN       HIS  90  -6.499  -0.860  -3.009
  613    HA   HIS  90           HA       HIS  90  -8.598  -0.160  -3.409
  614   1HB   HIS  90          2HB       HIS  90  -9.294  -3.067  -3.969
  615   2HB   HIS  90          3HB       HIS  90 -10.250  -1.648  -4.388
  616    HD1  HIS  90           HND      HIS  90  -6.492  -2.378  -5.121
  617    HD2  HIS  90           HD       HIS  90 -10.174  -1.644  -7.000
  618    HE1  HIS  90           HE       HIS  90  -6.011  -2.431  -7.549
  619    H    LYS  91           HN       LYS  91  -8.191   0.061  -0.871
  620    HA   LYS  91           HA       LYS  91 -10.536  -1.161   0.522
  621   1HB   LYS  91          2HB       LYS  91  -7.802  -0.682   1.733
  622   2HB   LYS  91          3HB       LYS  91  -9.192  -1.449   2.506
  623   1HG   LYS  91          2HG       LYS  91  -7.760  -2.554   0.030
  624   2HG   LYS  91          3HG       LYS  91  -7.522  -3.109   1.678
  625   1HD   LYS  91          2HD       LYS  91  -9.631  -3.827   1.972
  626   2HD   LYS  91          3HD       LYS  91 -10.261  -3.160   0.475
  627   1HE   LYS  91          2HE       LYS  91  -9.497  -4.799  -0.888
  628   2HE   LYS  91          3HE       LYS  91  -8.050  -5.022   0.063
  629   1HZ   LYS  91          2HNZ      LYS  91  -9.480  -6.088   1.779
  630   2HZ   LYS  91          3HNZ      LYS  91 -10.738  -6.055   0.727
  631   3HZ   LYS  91          1HNZ      LYS  91  -9.349  -6.951   0.444
  632    H    GLU  92           HN       GLU  92  -9.527   1.490  -0.792
  633    HA   GLU  92           HA       GLU  92  -9.446   3.617   0.934
  634   1HB   GLU  92          2HB       GLU  92 -10.122   4.734  -1.183
  635   2HB   GLU  92          3HB       GLU  92  -8.886   3.536  -1.422
  636   1HG   GLU  92          2HG       GLU  92 -10.972   1.957  -2.087
  637   2HG   GLU  92          3HG       GLU  92 -11.741   3.528  -2.353
  638    H    GLU  93           HN       GLU  93 -12.346   2.230  -0.678
  639    HA   GLU  93           HA       GLU  93 -14.124   3.558   1.260
  640   1HB   GLU  93          2HB       GLU  93 -14.636   1.937  -1.275
  641   2HB   GLU  93          3HB       GLU  93 -15.910   2.643  -0.280
  642   1HG   GLU  93          2HG       GLU  93 -15.081   4.899  -0.677
  643   2HG   GLU  93          3HG       GLU  93 -13.737   4.282  -1.647
  644    H    GLU  94           HN       GLU  94 -12.359   1.336   2.254
  645    HA   GLU  94           HA       GLU  94 -14.559  -0.247   3.451
  646   1HB   GLU  94          2HB       GLU  94 -13.551  -1.960   2.327
  647   2HB   GLU  94          3HB       GLU  94 -11.978  -1.170   2.230
  648   1HG   GLU  94          2HG       GLU  94 -11.447  -1.600   4.436
  649   2HG   GLU  94          3HG       GLU  94 -13.068  -2.235   4.820
  650    H    ILE  95           HN       ILE  95 -11.310   1.350   3.841
  651    HA   ILE  95           HA       ILE  95 -11.377   1.116   6.644
  652    HB   ILE  95           HB       ILE  95  -9.557   2.681   6.677
  653   1HG1  ILE  95          2HG1      ILE  95  -9.795   2.978   3.661
  654   2HG1  ILE  95          3HG1      ILE  95 -10.499   4.161   4.778
  655   1HG2  ILE  95          3HG2      ILE  95  -9.293   0.350   6.161
  656   2HG2  ILE  95          1HG2      ILE  95  -9.286   0.666   4.417
  657   3HG2  ILE  95          2HG2      ILE  95  -8.001   1.321   5.454
  658   1HD1  ILE  95           HD3      ILE  95  -7.604   3.429   5.022
  659   2HD1  ILE  95           HD1      ILE  95  -8.216   4.674   3.918
  660   3HD1  ILE  95           HD2      ILE  95  -8.479   4.830   5.669
  661    H    VAL  96           HN       VAL  96 -12.794   3.650   4.629
  662    HA   VAL  96           HA       VAL  96 -13.195   5.420   6.931
  663    HB   VAL  96           HB       VAL  96 -14.385   6.856   5.359
  664   1HG1  VAL  96          1HG1      VAL  96 -11.890   6.996   5.617
  665   2HG1  VAL  96          2HG1      VAL  96 -11.728   5.950   4.189
  666   3HG1  VAL  96          3HG1      VAL  96 -12.473   7.544   4.038
  667   1HG2  VAL  96          3HG2      VAL  96 -15.366   5.166   3.839
  668   2HG2  VAL  96          1HG2      VAL  96 -14.431   6.376   2.948
  669   3HG2  VAL  96          2HG2      VAL  96 -13.749   4.768   3.233
   
  No H/Q in entry =         668
  Start of MODEL   14
    1   1H    ALA   1          1HN       ALA   1  16.327  -2.496  -0.532
    2   2H    ALA   1          2HN       ALA   1  16.598  -3.490  -1.824
    3   2H    ALA   1          3HN       ALA   1  16.598  -3.490  -1.824
    4    HA   ALA   1           HA       ALA   1  17.627  -4.996  -0.037
    5   1HB   ALA   1          2HB       ALA   1  17.091  -3.294   1.786
    6   2HB   ALA   1          3HB       ALA   1  15.383  -3.751   1.572
    7   3HB   ALA   1          1HB       ALA   1  16.559  -4.963   2.080
    8    H    THR   2           HN       THR   2  14.384  -3.802  -0.885
    9    HA   THR   2           HA       THR   2  13.316  -4.544  -2.788
   10    HB   THR   2           HB       THR   2  15.816  -6.195  -3.209
   11    HG1  THR   2           HG1      THR   2  15.550  -3.451  -3.799
   12   1HG2  THR   2          3HG2      THR   2  13.937  -4.674  -5.071
   13   2HG2  THR   2          1HG2      THR   2  15.490  -5.380  -5.547
   14   3HG2  THR   2          2HG2      THR   2  14.180  -6.428  -4.981
   15    H    TYR   3           HN       TYR   3  11.656  -5.494  -1.567
   16    HA   TYR   3           HA       TYR   3  12.001  -8.343  -0.802
   17   1HB   TYR   3          2HB       TYR   3  10.180  -6.156   0.262
   18   2HB   TYR   3          3HB       TYR   3  10.301  -7.785   0.884
   19    HD1  TYR   3           HD1      TYR   3  12.781  -8.547   1.608
   20    HD2  TYR   3           HD2      TYR   3  11.468  -4.458   1.223
   21    HE1  TYR   3           HE1      TYR   3  14.394  -7.858   3.358
   22    HE2  TYR   3           HE2      TYR   3  12.992  -3.811   3.053
   23    HH   TYR   3           HOH      TYR   3  13.844  -4.864   5.005
   24    H    ASN   4           HN       ASN   4  10.083  -9.672  -0.709
   25    HA   ASN   4           HA       ASN   4   8.544  -9.782  -3.126
   26   1HB   ASN   4          2HB       ASN   4   9.449 -11.785  -2.038
   27   2HB   ASN   4          3HB       ASN   4   8.714 -11.328  -0.501
   28   1HD2  ASN   4          2HND      ASN   4   5.843 -12.346  -3.254
   29   2HD2  ASN   4          1HND      ASN   4   6.795 -10.854  -3.392
   30    H    VAL   5           HN       VAL   5   7.031  -8.119  -3.222
   31    HA   VAL   5           HA       VAL   5   5.259  -7.782  -0.860
   32    HB   VAL   5           HB       VAL   5   5.587  -5.892  -3.173
   33   1HG1  VAL   5          1HG1      VAL   5   4.126  -5.738  -0.478
   34   2HG1  VAL   5          2HG1      VAL   5   4.354  -4.366  -1.572
   35   3HG1  VAL   5          3HG1      VAL   5   3.371  -5.748  -2.070
   36   1HG2  VAL   5          3HG2      VAL   5   6.904  -6.097  -0.450
   37   2HG2  VAL   5          1HG2      VAL   5   7.640  -5.782  -2.027
   38   3HG2  VAL   5          2HG2      VAL   5   6.672  -4.521  -1.227
   39    H    LYS   6           HN       LYS   6   3.312  -8.826  -1.017
   40    HA   LYS   6           HA       LYS   6   2.168  -9.343  -3.715
   41   1HB   LYS   6          2HB       LYS   6   2.166 -11.157  -2.138
   42   2HB   LYS   6          3HB       LYS   6   1.321 -10.180  -0.964
   43   1HG   LYS   6          2HG       LYS   6  -0.635  -9.922  -2.580
   44   2HG   LYS   6          3HG       LYS   6   0.259 -10.859  -3.759
   45   1HD   LYS   6          2HD       LYS   6  -0.809 -11.901  -1.077
   46   2HD   LYS   6          3HD       LYS   6  -1.406 -12.213  -2.694
   47   1HE   LYS   6          2HE       LYS   6   1.084 -12.895  -3.163
   48   2HE   LYS   6          3HE       LYS   6   1.220 -13.113  -1.423
   49   1HZ   LYS   6          2HNZ      LYS   6  -0.772 -14.344  -3.272
   50   2HZ   LYS   6          3HNZ      LYS   6   0.669 -15.046  -2.869
   51   3HZ   LYS   6          1HNZ      LYS   6  -0.518 -14.818  -1.716
   52    H    LEU   7           HN       LEU   7   0.693  -8.077  -4.607
   53    HA   LEU   7           HA       LEU   7  -1.026  -6.347  -2.859
   54   1HB   LEU   7          2HB       LEU   7  -0.397  -6.202  -5.822
   55   2HB   LEU   7          3HB       LEU   7  -1.378  -5.059  -4.933
   56    HG   LEU   7           HG       LEU   7   1.596  -5.571  -4.638
   57   1HD1  LEU   7          1HD1      LEU   7   0.018  -3.292  -5.846
   58   2HD1  LEU   7          2HD1      LEU   7   1.729  -3.130  -5.383
   59   3HD1  LEU   7          3HD1      LEU   7   1.257  -4.343  -6.572
   60   1HD2  LEU   7          1HD2      LEU   7  -0.179  -3.677  -3.050
   61   2HD2  LEU   7          2HD2      LEU   7   0.837  -5.022  -2.469
   62   3HD2  LEU   7          3HD2      LEU   7   1.594  -3.574  -3.110
   63    H    ILE   8           HN       ILE   8  -2.687  -7.592  -2.223
   64    HA   ILE   8           HA       ILE   8  -4.005  -9.399  -4.140
   65    HB   ILE   8           HB       ILE   8  -4.634  -8.469  -1.361
   66   1HG1  ILE   8          2HG1      ILE   8  -4.038 -11.286  -2.202
   67   2HG1  ILE   8          3HG1      ILE   8  -2.725 -10.149  -1.889
   68   1HG2  ILE   8          2HG2      ILE   8  -6.155 -10.424  -3.143
   69   2HG2  ILE   8          3HG2      ILE   8  -6.458 -10.191  -1.411
   70   3HG2  ILE   8          1HG2      ILE   8  -6.770  -8.872  -2.537
   71   1HD1  ILE   8           HD2      ILE   8  -4.873 -10.834   0.136
   72   2HD1  ILE   8           HD3      ILE   8  -3.210 -11.449   0.106
   73   3HD1  ILE   8           HD1      ILE   8  -3.500  -9.716   0.345
   74    H    THR   9           HN       THR   9  -4.383  -8.129  -5.901
   75    HA   THR   9           HA       THR   9  -6.016  -5.740  -5.659
   76    HB   THR   9           HB       THR   9  -5.730  -5.747  -8.100
   77    HG1  THR   9           HG1      THR   9  -5.315  -8.071  -8.379
   78   1HG2  THR   9          3HG2      THR   9  -4.002  -4.633  -6.679
   79   2HG2  THR   9          1HG2      THR   9  -3.125  -6.191  -6.556
   80   3HG2  THR   9          2HG2      THR   9  -3.265  -5.366  -8.115
   81    HA   PRO  10           HA       PRO  10  -9.916  -7.781  -6.300
   82   1HB   PRO  10          2HB       PRO  10 -10.418  -5.907  -8.573
   83   2HB   PRO  10          3HB       PRO  10 -11.422  -6.268  -7.128
   84   1HG   PRO  10          2HG       PRO  10 -10.030  -4.019  -7.309
   85   2HG   PRO  10          3HG       PRO  10 -10.111  -4.886  -5.757
   86   1HD   PRO  10          2HD       PRO  10  -7.876  -4.797  -7.653
   87   2HD   PRO  10          3HD       PRO  10  -7.862  -4.840  -5.920
   88    H    ASP  11           HN       ASP  11  -8.057  -6.991  -9.203
   89    HA   ASP  11           HA       ASP  11  -8.870  -8.580 -11.258
   90   1HB   ASP  11          2HB       ASP  11  -6.074  -7.894 -10.211
   91   2HB   ASP  11          3HB       ASP  11  -6.396  -8.493 -11.811
   92    H    GLY  12           HN       GLY  12  -7.020  -9.390  -8.399
   93   1HA   GLY  12          2HA       GLY  12  -7.291 -11.418  -7.422
   94   2HA   GLY  12          3HA       GLY  12  -7.151 -12.314  -8.962
   95    H    GLU  13           HN       GLU  13  -5.394  -9.939  -7.011
   96    HA   GLU  13           HA       GLU  13  -3.347  -9.802  -6.090
   97   1HB   GLU  13          2HB       GLU  13  -3.150 -12.667  -6.938
   98   2HB   GLU  13          3HB       GLU  13  -1.848 -11.805  -6.146
   99   1HG   GLU  13          2HG       GLU  13  -2.961 -11.459  -4.208
  100   2HG   GLU  13          3HG       GLU  13  -4.564 -11.908  -4.867
  101    H    VAL  14           HN       VAL  14  -1.277  -9.320  -6.429
  102    HA   VAL  14           HA       VAL  14   0.150 -10.335  -8.710
  103    HB   VAL  14           HB       VAL  14  -0.893  -8.578  -9.844
  104   1HG1  VAL  14          1HG1      VAL  14  -1.580  -7.107  -8.023
  105   2HG1  VAL  14          2HG1      VAL  14   0.099  -6.558  -7.854
  106   3HG1  VAL  14          3HG1      VAL  14  -0.798  -6.235  -9.346
  107   1HG2  VAL  14          3HG2      VAL  14   1.463  -9.019 -10.357
  108   2HG2  VAL  14          1HG2      VAL  14   1.001  -7.340 -10.686
  109   3HG2  VAL  14          2HG2      VAL  14   1.941  -7.733  -9.224
  110    H    GLU  15           HN       GLU  15   1.748 -11.164  -7.539
  111    HA   GLU  15           HA       GLU  15   3.159  -9.635  -5.502
  112   1HB   GLU  15          2HB       GLU  15   3.599 -12.346  -6.814
  113   2HB   GLU  15          3HB       GLU  15   4.855 -11.583  -5.821
  114   1HG   GLU  15          2HG       GLU  15   3.320 -11.338  -3.965
  115   2HG   GLU  15          3HG       GLU  15   2.018 -12.117  -4.916
  116    H    PHE  16           HN       PHE  16   5.029  -8.636  -5.631
  117    HA   PHE  16           HA       PHE  16   6.631  -8.610  -8.040
  118   1HB   PHE  16          2HB       PHE  16   6.405  -6.489  -8.746
  119   2HB   PHE  16          3HB       PHE  16   4.764  -7.067  -8.621
  120    HD1  PHE  16           HD1      PHE  16   3.780  -6.596  -6.037
  121    HD2  PHE  16           HD2      PHE  16   6.960  -4.383  -7.958
  122    HE1  PHE  16           HE1      PHE  16   3.677  -4.885  -4.339
  123    HE2  PHE  16           HE2      PHE  16   6.593  -2.554  -6.436
  124    HZ   PHE  16           HZ       PHE  16   4.861  -2.676  -4.674
  125    H    LYS  17           HN       LYS  17   8.618  -7.243  -7.775
  126    HA   LYS  17           HA       LYS  17   9.490  -7.374  -4.991
  127   1HB   LYS  17          2HB       LYS  17  10.798  -7.735  -7.463
  128   2HB   LYS  17          3HB       LYS  17  11.376  -6.173  -6.912
  129   1HG   LYS  17          2HG       LYS  17  12.833  -7.924  -6.137
  130   2HG   LYS  17          3HG       LYS  17  12.025  -7.170  -4.732
  131   1HD   LYS  17          2HD       LYS  17  10.694  -9.068  -4.319
  132   2HD   LYS  17          3HD       LYS  17  10.681  -9.471  -6.027
  133   1HE   LYS  17          2HE       LYS  17  11.937 -11.202  -4.883
  134   2HE   LYS  17          3HE       LYS  17  13.107 -10.237  -5.787
  135   1HZ   LYS  17          2HNZ      LYS  17  13.476  -9.015  -3.609
  136   2HZ   LYS  17          3HNZ      LYS  17  12.547 -10.138  -2.892
  137   3HZ   LYS  17          1HNZ      LYS  17  13.946 -10.592  -3.618
  138    H    CYS  18           HN       CYS  18   9.530  -5.614  -3.668
  139    HA   CYS  18           HA       CYS  18   9.602  -2.895  -4.972
  140   1HB   CYS  18          2HB       CYS  18   7.355  -3.413  -4.005
  141   2HB   CYS  18          3HB       CYS  18   8.198  -3.514  -2.448
  142    HG   CYS  18           HSG      CYS  18   7.938  -1.067  -4.669
  143    H    ASP  19           HN       ASP  19  11.326  -1.714  -4.456
  144    HA   ASP  19           HA       ASP  19  13.200  -2.515  -2.412
  145   1HB   ASP  19          2HB       ASP  19  13.021   0.101  -3.907
  146   2HB   ASP  19          3HB       ASP  19  14.406  -0.543  -3.028
  147    H    ASP  20           HN       ASP  20  13.501  -1.759  -0.461
  148    HA   ASP  20           HA       ASP  20  11.553  -0.463   1.183
  149   1HB   ASP  20          2HB       ASP  20  13.615  -0.180   2.655
  150   2HB   ASP  20          3HB       ASP  20  13.209  -1.828   2.194
  151    H    ASP  21           HN       ASP  21  14.046   0.665  -0.944
  152    HA   ASP  21           HA       ASP  21  14.066   3.429   0.012
  153   1HB   ASP  21          2HB       ASP  21  15.431   1.852  -2.186
  154   2HB   ASP  21          3HB       ASP  21  15.320   3.601  -2.359
  155    H    VAL  22           HN       VAL  22  11.786   1.694  -1.897
  156    HA   VAL  22           HA       VAL  22  11.056   4.160  -3.402
  157    HB   VAL  22           HB       VAL  22  12.447   2.216  -4.572
  158   1HG1  VAL  22          1HG1      VAL  22  10.637   0.456  -3.918
  159   2HG1  VAL  22          2HG1      VAL  22   9.646   1.205  -5.173
  160   3HG1  VAL  22          3HG1      VAL  22  11.236   0.501  -5.564
  161   1HG2  VAL  22          1HG2      VAL  22  10.052   3.611  -5.680
  162   2HG2  VAL  22          2HG2      VAL  22  11.725   4.190  -5.686
  163   3HG2  VAL  22          3HG2      VAL  22  11.264   2.785  -6.688
  164    H    TYR  23           HN       TYR  23   8.683   4.311  -3.948
  165    HA   TYR  23           HA       TYR  23   7.350   3.219  -1.625
  166   1HB   TYR  23          2HB       TYR  23   6.227   4.865  -3.894
  167   2HB   TYR  23          3HB       TYR  23   5.398   4.444  -2.409
  168    HD1  TYR  23           HD2      TYR  23   6.903   4.998  -0.165
  169    HD2  TYR  23           HD1      TYR  23   7.018   7.095  -3.932
  170    HE1  TYR  23           HE2      TYR  23   7.299   7.124   1.028
  171    HE2  TYR  23           HE1      TYR  23   7.634   9.175  -2.739
  172    HH   TYR  23           HOH      TYR  23   7.684   9.424   0.835
  173    H    VAL  24           HN       VAL  24   5.564   1.773  -1.664
  174    HA   VAL  24           HA       VAL  24   5.722  -0.474  -3.358
  175    HB   VAL  24           HB       VAL  24   3.183   0.478  -1.982
  176   1HG1  VAL  24          3HG1      VAL  24   2.989  -1.495  -3.574
  177   2HG1  VAL  24          1HG1      VAL  24   4.276  -2.289  -2.622
  178   3HG1  VAL  24          2HG1      VAL  24   2.713  -1.926  -1.873
  179   1HG2  VAL  24          3HG2      VAL  24   5.539  -1.178  -0.948
  180   2HG2  VAL  24          1HG2      VAL  24   4.981   0.359  -0.282
  181   3HG2  VAL  24          2HG2      VAL  24   3.966  -1.062  -0.133
  182    H    LEU  25           HN       LEU  25   3.811   2.506  -3.911
  183    HA   LEU  25           HA       LEU  25   2.580   1.433  -6.243
  184   1HB   LEU  25          2HB       LEU  25   1.335   3.172  -6.311
  185   2HB   LEU  25          3HB       LEU  25   1.949   3.477  -4.710
  186    HG   LEU  25           HG       LEU  25   1.705   5.473  -5.926
  187   1HD1  LEU  25          3HD1      LEU  25   3.602   5.416  -4.371
  188   2HD1  LEU  25          1HD1      LEU  25   4.688   4.992  -5.708
  189   3HD1  LEU  25          2HD1      LEU  25   3.854   6.547  -5.713
  190   1HD2  LEU  25          1HD2      LEU  25   2.007   4.447  -8.251
  191   2HD2  LEU  25          2HD2      LEU  25   2.568   6.102  -7.977
  192   3HD2  LEU  25          3HD2      LEU  25   3.738   4.791  -8.050
  193    H    ASP  26           HN       ASP  26   5.781   2.889  -5.802
  194    HA   ASP  26           HA       ASP  26   6.093   3.930  -8.442
  195   1HB   ASP  26          2HB       ASP  26   8.091   3.017  -6.331
  196   2HB   ASP  26          3HB       ASP  26   8.532   3.843  -7.823
  197    H    GLN  27           HN       GLN  27   7.688   1.111  -6.929
  198    HA   GLN  27           HA       GLN  27   8.574  -0.025  -9.378
  199   1HB   GLN  27          2HB       GLN  27   8.281  -1.042  -6.577
  200   2HB   GLN  27          3HB       GLN  27   8.473  -2.246  -7.866
  201   1HG   GLN  27          2HG       GLN  27  10.349   0.081  -7.484
  202   2HG   GLN  27          3HG       GLN  27  10.616  -1.528  -6.772
  203   1HE2  GLN  27          2HNE      GLN  27  11.834  -0.826 -10.510
  204   2HE2  GLN  27          1HNE      GLN  27  11.504   0.374  -9.267
  205    H    ALA  28           HN       ALA  28   5.485  -0.384  -7.609
  206    HA   ALA  28           HA       ALA  28   4.386  -2.440  -9.167
  207   1HB   ALA  28          1HB       ALA  28   3.354  -0.195  -7.545
  208   2HB   ALA  28          2HB       ALA  28   2.257  -0.687  -8.800
  209   3HB   ALA  28          3HB       ALA  28   2.830  -1.890  -7.611
  210    H    GLU  29           HN       GLU  29   4.146   1.117  -9.861
  211    HA   GLU  29           HA       GLU  29   3.021   0.664 -12.427
  212   1HB   GLU  29          2HB       GLU  29   4.583   3.059 -11.368
  213   2HB   GLU  29          3HB       GLU  29   3.781   2.993 -12.952
  214   1HG   GLU  29          2HG       GLU  29   1.657   2.281 -11.761
  215   2HG   GLU  29          3HG       GLU  29   2.448   2.675 -10.236
  216    H    GLU  30           HN       GLU  30   6.478   0.822 -11.429
  217    HA   GLU  30           HA       GLU  30   7.602   0.588 -14.013
  218   1HB   GLU  30          2HB       GLU  30   8.622  -0.723 -11.490
  219   2HB   GLU  30          3HB       GLU  30   9.510  -0.541 -12.985
  220   1HG   GLU  30          2HG       GLU  30   8.398   1.961 -11.674
  221   2HG   GLU  30          3HG       GLU  30   9.874   1.208 -11.067
  222    H    GLU  31           HN       GLU  31   6.101  -1.967 -12.029
  223    HA   GLU  31           HA       GLU  31   6.805  -4.020 -14.008
  224   1HB   GLU  31          2HB       GLU  31   4.843  -4.126 -11.702
  225   2HB   GLU  31          3HB       GLU  31   5.555  -5.499 -12.556
  226   1HG   GLU  31          2HG       GLU  31   7.630  -3.636 -11.595
  227   2HG   GLU  31          3HG       GLU  31   6.541  -4.020 -10.322
  228    H    GLY  32           HN       GLY  32   4.185  -1.888 -13.314
  229   1HA   GLY  32          2HA       GLY  32   2.738  -1.168 -15.163
  230   2HA   GLY  32          3HA       GLY  32   2.566  -2.856 -15.667
  231    H    ILE  33           HN       ILE  33   2.611  -2.363 -12.226
  232    HA   ILE  33           HA       ILE  33  -0.161  -3.203 -11.990
  233    HB   ILE  33           HB       ILE  33   1.877  -2.344  -9.956
  234   1HG1  ILE  33          2HG1      ILE  33   0.987  -5.038 -10.902
  235   2HG1  ILE  33          3HG1      ILE  33   2.556  -4.263 -11.224
  236   1HG2  ILE  33          2HG2      ILE  33  -0.486  -2.081  -9.109
  237   2HG2  ILE  33          3HG2      ILE  33  -0.782  -3.780  -9.528
  238   3HG2  ILE  33          1HG2      ILE  33   0.398  -3.339  -8.280
  239   1HD1  ILE  33           HD3      ILE  33   3.018  -4.163  -8.754
  240   2HD1  ILE  33           HD1      ILE  33   1.668  -5.282  -8.545
  241   3HD1  ILE  33           HD2      ILE  33   3.065  -5.753  -9.520
  242    H    ASP  34           HN       ASP  34  -1.685  -1.859 -12.358
  243    HA   ASP  34           HA       ASP  34  -1.584   1.056 -11.886
  244   1HB   ASP  34          2HB       ASP  34  -2.679  -0.043 -13.889
  245   2HB   ASP  34          3HB       ASP  34  -3.901  -0.701 -12.780
  246    H    ILE  35           HN       ILE  35  -1.560   1.421  -9.610
  247    HA   ILE  35           HA       ILE  35  -3.572   0.007  -8.001
  248    HB   ILE  35           HB       ILE  35  -1.046   1.103  -7.485
  249   1HG1  ILE  35          2HG1      ILE  35  -2.711  -0.472  -5.603
  250   2HG1  ILE  35          3HG1      ILE  35  -1.779  -1.098  -6.980
  251   1HG2  ILE  35          3HG2      ILE  35  -2.380   3.135  -6.543
  252   2HG2  ILE  35          1HG2      ILE  35  -2.701   2.051  -5.191
  253   3HG2  ILE  35          2HG2      ILE  35  -1.047   2.428  -5.657
  254   1HD1  ILE  35           HD2      ILE  35  -0.559   0.451  -4.644
  255   2HD1  ILE  35           HD3      ILE  35  -0.526  -1.297  -4.839
  256   3HD1  ILE  35           HD1      ILE  35   0.311  -0.270  -6.015
  257    HA   PRO  36           HA       PRO  36  -6.485   3.187  -8.309
  258   1HB   PRO  36          2HB       PRO  36  -7.837   3.124  -5.911
  259   2HB   PRO  36          3HB       PRO  36  -7.895   1.845  -7.158
  260   1HG   PRO  36          2HG       PRO  36  -6.301   1.828  -4.604
  261   2HG   PRO  36          3HG       PRO  36  -7.183   0.536  -5.417
  262   1HD   PRO  36          2HD       PRO  36  -4.468   0.968  -5.572
  263   2HD   PRO  36          3HD       PRO  36  -5.313   0.082  -6.819
  264    H    TYR  37           HN       TYR  37  -5.107   5.004  -8.559
  265    HA   TYR  37           HA       TYR  37  -4.235   6.562  -6.262
  266   1HB   TYR  37          2HB       TYR  37  -4.401   7.531  -9.125
  267   2HB   TYR  37          3HB       TYR  37  -3.304   8.067  -7.855
  268    HD1  TYR  37           HD1      TYR  37  -1.794   6.023  -6.841
  269    HD2  TYR  37           HD2      TYR  37  -3.570   6.124 -10.777
  270    HE1  TYR  37           HE1      TYR  37  -0.347   4.145  -7.562
  271    HE2  TYR  37           HE2      TYR  37  -2.127   4.247 -11.471
  272    HH   TYR  37           HOH      TYR  37   0.034   3.265 -10.737
  273    H    SER  38           HN       SER  38  -5.033   8.505  -5.550
  274    HA   SER  38           HA       SER  38  -7.408   9.719  -6.919
  275   1HB   SER  38          2HB       SER  38  -6.999  10.253  -4.002
  276   2HB   SER  38          3HB       SER  38  -8.483  10.090  -4.954
  277    HG   SER  38           HOG      SER  38  -6.824   8.068  -3.878
  278    H    CYS  39           HN       CYS  39  -4.403  10.184  -5.185
  279    HA   CYS  39           HA       CYS  39  -4.189  13.030  -5.893
  280   1HB   CYS  39          2HB       CYS  39  -4.597  13.804  -3.912
  281   2HB   CYS  39          3HB       CYS  39  -5.378  12.285  -3.511
  282    H    ARG  40           HN       ARG  40  -2.733  10.156  -4.516
  283    HA   ARG  40           HA       ARG  40  -0.861   9.754  -3.590
  284   1HB   ARG  40          2HB       ARG  40   0.593   8.680  -4.864
  285   2HB   ARG  40          3HB       ARG  40  -0.923   8.604  -5.732
  286   1HG   ARG  40          2HG       ARG  40   1.529  10.279  -6.464
  287   2HG   ARG  40          3HG       ARG  40   1.050   8.730  -7.139
  288   1HD   ARG  40          2HD       ARG  40   0.308  10.189  -8.797
  289   2HD   ARG  40          3HD       ARG  40  -1.143   9.824  -7.874
  290    HE   ARG  40           HNE      ARG  40  -1.221  11.982  -7.042
  291   1HH1  ARG  40          2HN2      ARG  40   1.894  11.613  -8.604
  292   2HH1  ARG  40          1HN2      ARG  40   2.393  13.252  -8.295
  293   1HH2  ARG  40          2HN1      ARG  40  -0.556  13.891  -6.420
  294   2HH2  ARG  40          1HN1      ARG  40   0.868  14.688  -7.056
  295    H    ALA  41           HN       ALA  41  -0.026  10.907  -2.091
  296    HA   ALA  41           HA       ALA  41   2.323  12.514  -2.557
  297   1HB   ALA  41          1HB       ALA  41  -0.219  13.947  -1.665
  298   2HB   ALA  41          2HB       ALA  41   1.419  14.634  -1.647
  299   3HB   ALA  41          3HB       ALA  41   0.654  14.212  -3.189
  300    H    GLY  42           HN       GLY  42  -0.329  11.702  -0.265
  301   1HA   GLY  42          2HA       GLY  42   0.033  10.623   1.810
  302   2HA   GLY  42          3HA       GLY  42   1.640  11.335   1.941
  303    H    SER  43           HN       SER  43  -1.707  12.473   1.413
  304    HA   SER  43           HA       SER  43  -2.285  13.602   3.844
  305   1HB   SER  43          2HB       SER  43  -0.869  15.615   2.086
  306   2HB   SER  43          3HB       SER  43  -2.195  16.112   3.145
  307    HG   SER  43           HOG      SER  43   0.053  14.687   4.074
  308    H    CYS  44           HN       CYS  44  -4.226  12.555   3.118
  309    HA   CYS  44           HA       CYS  44  -5.994  14.213   1.535
  310   1HB   CYS  44          2HB       CYS  44  -6.483  12.664  -0.192
  311   2HB   CYS  44          3HB       CYS  44  -4.760  12.956  -0.144
  312    H    SER  45           HN       SER  45  -7.956  12.124   1.161
  313    HA   SER  45           HA       SER  45  -8.531  11.123   3.867
  314   1HB   SER  45          2HB       SER  45  -9.446  13.517   3.692
  315   2HB   SER  45          3HB       SER  45 -10.598  12.874   2.504
  316    HG   SER  45           HOG      SER  45 -10.221  11.771   5.104
  317    H    SER  46           HN       SER  46  -7.636   9.748   1.787
  318    HA   SER  46           HA       SER  46  -9.788   8.117   0.741
  319   1HB   SER  46          2HB       SER  46  -8.268   8.982  -1.539
  320   2HB   SER  46          3HB       SER  46  -9.988   9.220  -1.227
  321    HG   SER  46           HOG      SER  46  -8.689  11.156  -1.605
  322    H    CYS  47           HN       CYS  47  -8.529   6.653  -0.948
  323    HA   CYS  47           HA       CYS  47  -7.141   5.044  -1.333
  324   1HB   CYS  47          2HB       CYS  47  -5.143   5.674  -2.034
  325   2HB   CYS  47          3HB       CYS  47  -5.892   7.231  -1.755
  326    H    ALA  48           HN       ALA  48  -6.428   3.159  -0.576
  327    HA   ALA  48           HA       ALA  48  -4.541   2.914   1.379
  328   1HB   ALA  48          2HB       ALA  48  -7.341   2.624   2.489
  329   2HB   ALA  48          3HB       ALA  48  -6.057   1.591   3.141
  330   3HB   ALA  48          1HB       ALA  48  -5.878   3.332   3.230
  331    H    GLY  49           HN       GLY  49  -4.250   0.690   2.142
  332   1HA   GLY  49          2HA       GLY  49  -5.620  -1.375   0.643
  333   2HA   GLY  49          3HA       GLY  49  -3.843  -1.427   0.674
  334    H    LYS  50           HN       LYS  50  -5.291  -3.484   1.805
  335    HA   LYS  50           HA       LYS  50  -5.350  -3.053   4.661
  336   1HB   LYS  50          2HB       LYS  50  -7.068  -4.251   3.024
  337   2HB   LYS  50          3HB       LYS  50  -6.119  -5.681   3.378
  338   1HG   LYS  50          2HG       LYS  50  -6.693  -5.637   5.686
  339   2HG   LYS  50          3HG       LYS  50  -7.136  -3.926   5.622
  340   1HD   LYS  50          2HD       LYS  50  -8.945  -4.525   3.963
  341   2HD   LYS  50          3HD       LYS  50  -8.680  -6.229   4.364
  342   1HE   LYS  50          2HE       LYS  50  -9.356  -5.850   6.677
  343   2HE   LYS  50          3HE       LYS  50  -9.204  -4.126   6.517
  344   1HZ   LYS  50          1HNZ      LYS  50 -11.014  -4.102   4.875
  345   2HZ   LYS  50          2HNZ      LYS  50 -11.317  -5.667   5.161
  346   3HZ   LYS  50          3HNZ      LYS  50 -11.493  -4.542   6.366
  347    H    VAL  51           HN       VAL  51  -3.450  -3.553   5.781
  348    HA   VAL  51           HA       VAL  51  -1.266  -5.105   4.611
  349    HB   VAL  51           HB       VAL  51  -1.827  -3.992   7.405
  350   1HG1  VAL  51          3HG1      VAL  51   0.696  -5.392   6.428
  351   2HG1  VAL  51          1HG1      VAL  51   0.544  -4.491   7.950
  352   3HG1  VAL  51          2HG1      VAL  51  -0.393  -5.971   7.712
  353   1HG2  VAL  51          1HG2      VAL  51  -0.928  -2.698   5.122
  354   2HG2  VAL  51          2HG2      VAL  51  -0.667  -2.125   6.802
  355   3HG2  VAL  51          3HG2      VAL  51   0.579  -3.051   5.948
  356    H    VAL  52           HN       VAL  52  -1.520  -7.233   4.328
  357    HA   VAL  52           HA       VAL  52  -3.294  -8.819   6.094
  358    HB   VAL  52           HB       VAL  52  -1.563  -9.529   3.728
  359   1HG1  VAL  52          1HG1      VAL  52  -3.667 -11.202   5.171
  360   2HG1  VAL  52          2HG1      VAL  52  -2.888 -11.644   3.637
  361   3HG1  VAL  52          3HG1      VAL  52  -1.922 -11.543   5.110
  362   1HG2  VAL  52          3HG2      VAL  52  -4.532  -8.941   3.989
  363   2HG2  VAL  52          1HG2      VAL  52  -3.317  -8.112   2.985
  364   3HG2  VAL  52          2HG2      VAL  52  -3.827  -9.757   2.585
  365    H    SER  53           HN       SER  53   0.208  -8.398   5.375
  366    HA   SER  53           HA       SER  53   0.891  -9.476   7.985
  367   1HB   SER  53          2HB       SER  53   0.578 -11.569   6.551
  368   2HB   SER  53          3HB       SER  53   1.914 -10.987   5.539
  369    HG   SER  53           HOG      SER  53   1.947 -11.738   8.277
  370    H    GLY  54           HN       GLY  54   3.570  -9.935   7.525
  371   1HA   GLY  54          2HA       GLY  54   5.584  -8.776   7.452
  372   2HA   GLY  54          3HA       GLY  54   4.959  -7.988   6.004
  373    H    SER  55           HN       SER  55   6.117  -6.048   6.695
  374    HA   SER  55           HA       SER  55   4.285  -4.284   8.099
  375   1HB   SER  55          2HB       SER  55   7.255  -4.231   8.758
  376   2HB   SER  55          3HB       SER  55   5.983  -3.233   9.449
  377    HG   SER  55           HOG      SER  55   6.031  -6.054   9.736
  378    H    ILE  56           HN       ILE  56   4.702  -2.060   7.346
  379    HA   ILE  56           HA       ILE  56   6.858  -1.594   5.466
  380    HB   ILE  56           HB       ILE  56   5.426  -0.408   3.937
  381   1HG1  ILE  56          2HG1      ILE  56   3.046  -1.383   5.533
  382   2HG1  ILE  56          3HG1      ILE  56   3.600   0.286   5.402
  383   1HG2  ILE  56          3HG2      ILE  56   5.757  -3.019   3.815
  384   2HG2  ILE  56          1HG2      ILE  56   4.014  -3.048   4.119
  385   3HG2  ILE  56          2HG2      ILE  56   4.651  -2.230   2.682
  386   1HD1  ILE  56           HD2      ILE  56   3.401  -0.220   2.759
  387   2HD1  ILE  56           HD3      ILE  56   2.247  -1.431   3.327
  388   3HD1  ILE  56           HD1      ILE  56   2.006   0.291   3.703
  389    H    ASP  57           HN       ASP  57   7.019   0.876   5.250
  390    HA   ASP  57           HA       ASP  57   6.170   2.221   7.785
  391   1HB   ASP  57          2HB       ASP  57   8.613   2.092   7.632
  392   2HB   ASP  57          3HB       ASP  57   8.568   2.765   5.991
  393    H    GLN  58           HN       GLN  58   4.378   3.365   7.292
  394    HA   GLN  58           HA       GLN  58   4.366   5.002   4.791
  395   1HB   GLN  58          2HB       GLN  58   1.902   5.105   5.259
  396   2HB   GLN  58          3HB       GLN  58   2.489   3.514   4.778
  397   1HG   GLN  58          2HG       GLN  58   2.372   2.677   6.986
  398   2HG   GLN  58          3HG       GLN  58   2.274   4.295   7.696
  399   1HE2  GLN  58          2HNE      GLN  58  -1.038   2.696   7.893
  400   2HE2  GLN  58          1HNE      GLN  58   0.585   2.327   8.422
  401    H    SER  59           HN       SER  59   6.146   5.850   6.692
  402    HA   SER  59           HA       SER  59   5.171   7.668   8.616
  403   1HB   SER  59          2HB       SER  59   7.261   8.994   7.949
  404   2HB   SER  59          3HB       SER  59   7.521   7.305   8.443
  405    HG   SER  59           HOG      SER  59   7.847   6.702   6.407
  406    H    ASP  60           HN       ASP  60   5.560   8.013   5.133
  407    HA   ASP  60           HA       ASP  60   4.405  10.703   4.967
  408   1HB   ASP  60          2HB       ASP  60   5.172   8.625   2.893
  409   2HB   ASP  60          3HB       ASP  60   4.619  10.264   2.490
  410    H    GLN  61           HN       GLN  61   2.568   8.959   6.277
  411    HA   GLN  61           HA       GLN  61   0.746   7.893   4.316
  412   1HB   GLN  61          2HB       GLN  61  -0.759   7.374   6.155
  413   2HB   GLN  61          3HB       GLN  61   0.857   6.744   6.342
  414   1HG   GLN  61          2HG       GLN  61   1.336   8.809   7.859
  415   2HG   GLN  61          3HG       GLN  61  -0.416   9.067   7.838
  416   1HE2  GLN  61          2HNE      GLN  61  -0.718   5.584   9.331
  417   2HE2  GLN  61          1HNE      GLN  61  -1.285   6.342   7.862
  418    H    SER  62           HN       SER  62  -1.516   8.341   4.058
  419    HA   SER  62           HA       SER  62  -2.058  11.004   3.434
  420   1HB   SER  62          2HB       SER  62  -4.071   8.716   3.742
  421   2HB   SER  62          3HB       SER  62  -4.210  10.192   2.776
  422    HG   SER  62           HOG      SER  62  -3.514   8.507   1.487
  423    H    PHE  63           HN       PHE  63  -4.021   9.055   5.679
  424    HA   PHE  63           HA       PHE  63  -3.911  11.077   7.802
  425   1HB   PHE  63          2HB       PHE  63  -6.219  11.627   7.735
  426   2HB   PHE  63          3HB       PHE  63  -5.616  11.921   6.118
  427    HD1  PHE  63           HD1      PHE  63  -5.996   9.908   4.370
  428    HD2  PHE  63           HD2      PHE  63  -8.135  10.289   8.097
  429    HE1  PHE  63           HE1      PHE  63  -7.408   7.968   3.774
  430    HE2  PHE  63           HE2      PHE  63  -9.713   8.556   7.360
  431    HZ   PHE  63           HZ       PHE  63  -9.351   7.378   5.201
  432    H    LEU  64           HN       LEU  64  -3.657   7.844   7.163
  433    HA   LEU  64           HA       LEU  64  -5.999   6.829   8.223
  434   1HB   LEU  64          2HB       LEU  64  -3.232   5.570   8.029
  435   2HB   LEU  64          3HB       LEU  64  -4.621   4.753   8.703
  436    HG   LEU  64           HG       LEU  64  -5.871   5.204   6.511
  437   1HD1  LEU  64          1HD1      LEU  64  -3.001   5.710   5.578
  438   2HD1  LEU  64          2HD1      LEU  64  -4.365   5.328   4.506
  439   3HD1  LEU  64          3HD1      LEU  64  -4.380   6.829   5.432
  440   1HD2  LEU  64          1HD2      LEU  64  -3.453   3.393   6.763
  441   2HD2  LEU  64          2HD2      LEU  64  -5.107   3.060   7.308
  442   3HD2  LEU  64          3HD2      LEU  64  -4.764   3.164   5.565
  443    H    ASP  65           HN       ASP  65  -6.604   6.140  10.238
  444    HA   ASP  65           HA       ASP  65  -5.080   7.350  12.469
  445   1HB   ASP  65          2HB       ASP  65  -7.793   5.992  12.387
  446   2HB   ASP  65          3HB       ASP  65  -7.044   6.663  13.847
  447    H    ASP  66           HN       ASP  66  -4.868   6.070  14.480
  448    HA   ASP  66           HA       ASP  66  -3.177   3.806  14.144
  449   1HB   ASP  66          2HB       ASP  66  -4.742   4.805  16.566
  450   2HB   ASP  66          3HB       ASP  66  -3.529   3.517  16.602
  451    H    GLU  67           HN       GLU  67  -6.640   4.183  14.803
  452    HA   GLU  67           HA       GLU  67  -7.344   1.540  15.283
  453   1HB   GLU  67          2HB       GLU  67  -9.215   3.189  13.562
  454   2HB   GLU  67          3HB       GLU  67  -9.514   2.231  15.006
  455   1HG   GLU  67          2HG       GLU  67  -8.225   4.101  16.245
  456   2HG   GLU  67          3HG       GLU  67  -8.461   5.040  14.754
  457    H    GLN  68           HN       GLN  68  -7.588   3.246  12.094
  458    HA   GLN  68           HA       GLN  68  -8.054   1.056  10.506
  459   1HB   GLN  68          2HB       GLN  68  -6.510   3.577   9.900
  460   2HB   GLN  68          3HB       GLN  68  -7.101   2.443   8.681
  461   1HG   GLN  68          2HG       GLN  68  -9.388   2.722   9.310
  462   2HG   GLN  68          3HG       GLN  68  -8.955   3.710  10.714
  463   1HE2  GLN  68          2HNE      GLN  68  -9.986   5.910   7.932
  464   2HE2  GLN  68          1HNE      GLN  68 -10.734   4.484   8.630
  465    H    MET  69           HN       MET  69  -4.770   2.405  11.341
  466    HA   MET  69           HA       MET  69  -3.240   0.521   9.919
  467   1HB   MET  69          2HB       MET  69  -2.614   1.915  12.531
  468   2HB   MET  69          3HB       MET  69  -1.489   0.989  11.534
  469   1HG   MET  69          2HG       MET  69  -2.088   2.503   9.579
  470   2HG   MET  69          3HG       MET  69  -3.025   3.451  10.692
  471   1HE   MET  69           HE1      MET  69  -2.115   5.571  10.872
  472   2HE   MET  69           HE2      MET  69  -2.016   4.985  12.550
  473   3HE   MET  69           HE3      MET  69  -0.689   5.964  11.872
  474    H    ASP  70           HN       ASP  70  -4.205   0.296  13.374
  475    HA   ASP  70           HA       ASP  70  -3.111  -2.259  13.904
  476   1HB   ASP  70          2HB       ASP  70  -3.907  -0.564  15.607
  477   2HB   ASP  70          3HB       ASP  70  -5.566  -0.926  15.144
  478    H    ALA  71           HN       ALA  71  -6.258  -1.210  12.804
  479    HA   ALA  71           HA       ALA  71  -7.680  -3.682  12.860
  480   1HB   ALA  71          1HB       ALA  71  -8.067  -1.171  11.189
  481   2HB   ALA  71          2HB       ALA  71  -9.272  -2.467  11.364
  482   3HB   ALA  71          3HB       ALA  71  -8.792  -1.498  12.775
  483    H    GLY  72           HN       GLY  72  -5.303  -2.404  10.633
  484   1HA   GLY  72          2HA       GLY  72  -4.185  -4.283   9.485
  485   2HA   GLY  72          3HA       GLY  72  -5.732  -4.779   8.852
  486    H    TYR  73           HN       TYR  73  -4.939  -1.280   8.955
  487    HA   TYR  73           HA       TYR  73  -4.901  -1.407   5.964
  488   1HB   TYR  73          2HB       TYR  73  -6.046   0.675   7.783
  489   2HB   TYR  73          3HB       TYR  73  -6.000   0.730   6.028
  490    HD1  TYR  73           HD2      TYR  73  -6.995  -1.241   4.696
  491    HD2  TYR  73           HD1      TYR  73  -7.997  -0.334   8.784
  492    HE1  TYR  73           HE2      TYR  73  -9.239  -2.151   4.353
  493    HE2  TYR  73           HE1      TYR  73 -10.284  -1.128   8.412
  494    HH   TYR  73           HOH      TYR  73 -11.876  -1.425   6.349
  495    H    VAL  74           HN       VAL  74  -4.007   0.435   4.794
  496    HA   VAL  74           HA       VAL  74  -1.807   1.947   5.985
  497    HB   VAL  74           HB       VAL  74  -1.509  -0.709   5.225
  498   1HG1  VAL  74          2HG1      VAL  74  -1.656  -0.200   2.829
  499   2HG1  VAL  74          3HG1      VAL  74  -0.186   0.798   3.001
  500   3HG1  VAL  74          1HG1      VAL  74  -0.134  -0.937   3.332
  501   1HG2  VAL  74          1HG2      VAL  74  -0.066   0.474   6.763
  502   2HG2  VAL  74          2HG2      VAL  74   0.845  -0.442   5.575
  503   3HG2  VAL  74          3HG2      VAL  74   0.709   1.322   5.393
  504    H    LEU  75           HN       LEU  75  -1.134   3.686   4.448
  505    HA   LEU  75           HA       LEU  75  -3.103   4.219   2.394
  506   1HB   LEU  75          2HB       LEU  75  -2.346   6.238   2.318
  507   2HB   LEU  75          3HB       LEU  75  -1.354   5.855   3.720
  508    HG   LEU  75           HG       LEU  75  -0.424   5.565   0.844
  509   1HD1  LEU  75          3HD1      LEU  75  -0.228   8.034   2.484
  510   2HD1  LEU  75          1HD1      LEU  75   0.835   7.663   1.128
  511   3HD1  LEU  75          2HD1      LEU  75  -0.916   7.769   0.896
  512   1HD2  LEU  75          2HD2      LEU  75   0.772   4.427   2.947
  513   2HD2  LEU  75          3HD2      LEU  75   1.680   5.203   1.643
  514   3HD2  LEU  75          1HD2      LEU  75   1.416   6.065   3.168
  515    H    THR  76           HN       THR  76  -2.733   4.185  -0.001
  516    HA   THR  76           HA       THR  76  -0.873   1.929  -0.719
  517    HB   THR  76           HB       THR  76  -3.205   1.353  -0.891
  518    HG1  THR  76           HG1      THR  76  -1.802   1.668  -3.302
  519   1HG2  THR  76          2HG2      THR  76  -4.180   3.594  -1.414
  520   2HG2  THR  76          3HG2      THR  76  -3.441   3.536  -3.019
  521   3HG2  THR  76          1HG2      THR  76  -4.677   2.348  -2.570
  522    H    CYS  77           HN       CYS  77   0.123   4.509  -0.520
  523    HA   CYS  77           HA       CYS  77   0.876   5.228  -3.304
  524   1HB   CYS  77          2HB       CYS  77  -0.227   7.028  -1.152
  525   2HB   CYS  77          3HB       CYS  77   0.700   7.647  -2.521
  526    H    HIS  78           HN       HIS  78   1.803   7.279  -0.692
  527    HA   HIS  78           HA       HIS  78   4.556   6.563  -1.036
  528   1HB   HIS  78          2HB       HIS  78   3.138   8.558   0.757
  529   2HB   HIS  78          3HB       HIS  78   4.882   8.295   0.773
  530    HD1  HIS  78           HND      HIS  78   5.585  10.594  -0.009
  531    HD2  HIS  78           HD       HIS  78   3.082   8.484  -2.656
  532    HE1  HIS  78           HE       HIS  78   5.599  11.876  -2.215
  533    H    ALA  79           HN       ALA  79   4.077   4.221  -0.293
  534    HA   ALA  79           HA       ALA  79   4.810   3.995   2.625
  535   1HB   ALA  79          2HB       ALA  79   2.501   3.078   2.010
  536   2HB   ALA  79          3HB       ALA  79   3.346   1.879   1.015
  537   3HB   ALA  79          1HB       ALA  79   3.648   1.972   2.770
  538    H    TYR  80           HN       TYR  80   6.637   2.837   3.052
  539    HA   TYR  80           HA       TYR  80   8.285   1.790   0.766
  540   1HB   TYR  80          2HB       TYR  80   8.919   2.830   3.560
  541   2HB   TYR  80          3HB       TYR  80  10.087   2.083   2.485
  542    HD1  TYR  80           HD1      TYR  80  10.028   3.157  -0.025
  543    HD2  TYR  80           HD2      TYR  80   9.092   5.181   3.658
  544    HE1  TYR  80           HE1      TYR  80  10.592   5.327  -1.078
  545    HE2  TYR  80           HE2      TYR  80   9.772   7.330   2.647
  546    HH   TYR  80           HOH      TYR  80  10.343   8.413   0.690
  547    HA   PRO  81           HA       PRO  81   7.432  -2.115   2.807
  548   1HB   PRO  81          2HB       PRO  81   8.926  -3.688   1.003
  549   2HB   PRO  81          3HB       PRO  81   7.195  -3.269   0.890
  550   1HG   PRO  81          2HG       PRO  81   9.470  -2.212  -0.685
  551   2HG   PRO  81          3HG       PRO  81   7.710  -2.088  -0.974
  552   1HD   PRO  81          2HD       PRO  81   9.353  -0.019  -0.088
  553   2HD   PRO  81          3HD       PRO  81   7.581  -0.061  -0.205
  554    H    THR  82           HN       THR  82   8.507  -2.486   4.762
  555    HA   THR  82           HA       THR  82  11.389  -2.021   4.918
  556    HB   THR  82           HB       THR  82  10.838  -2.569   7.371
  557    HG1  THR  82           HG1      THR  82   8.776  -3.644   6.725
  558   1HG2  THR  82          2HG2      THR  82   9.318  -0.292   6.003
  559   2HG2  THR  82          3HG2      THR  82   9.735  -0.381   7.724
  560   3HG2  THR  82          1HG2      THR  82  11.019  -0.243   6.508
  561    H    SER  83           HN       SER  83   9.288  -4.703   4.302
  562    HA   SER  83           HA       SER  83  11.435  -6.574   4.298
  563   1HB   SER  83          2HB       SER  83   9.104  -7.047   6.214
  564   2HB   SER  83          3HB       SER  83  10.456  -8.158   5.924
  565    HG   SER  83           HOG      SER  83  11.634  -5.971   6.602
  566    H    ASP  84           HN       ASP  84  10.106  -8.908   3.909
  567    HA   ASP  84           HA       ASP  84   8.442  -8.619   1.573
  568   1HB   ASP  84          2HB       ASP  84   7.966 -11.025   2.082
  569   2HB   ASP  84          3HB       ASP  84   9.686 -10.669   1.894
  570    H    VAL  85           HN       VAL  85   6.263  -8.659   1.474
  571    HA   VAL  85           HA       VAL  85   4.647  -8.539   3.904
  572    HB   VAL  85           HB       VAL  85   5.725  -6.477   4.193
  573   1HG1  VAL  85          1HG1      VAL  85   6.462  -6.219   1.709
  574   2HG1  VAL  85          2HG1      VAL  85   4.954  -5.310   1.527
  575   3HG1  VAL  85          3HG1      VAL  85   6.182  -4.803   2.694
  576   1HG2  VAL  85          2HG2      VAL  85   3.064  -6.591   4.197
  577   2HG2  VAL  85          3HG2      VAL  85   3.958  -5.143   4.600
  578   3HG2  VAL  85          1HG2      VAL  85   3.235  -5.340   2.981
  579    H    VAL  86           HN       VAL  86   2.484  -8.569   3.652
  580    HA   VAL  86           HA       VAL  86   1.494  -8.882   0.852
  581    HB   VAL  86           HB       VAL  86   0.541 -10.315   3.366
  582   1HG1  VAL  86          3HG1      VAL  86  -0.228 -10.552   0.435
  583   2HG1  VAL  86          1HG1      VAL  86  -0.827 -11.620   1.716
  584   3HG1  VAL  86          2HG1      VAL  86  -1.266  -9.903   1.667
  585   1HG2  VAL  86          2HG2      VAL  86   2.182 -11.331   0.995
  586   2HG2  VAL  86          3HG2      VAL  86   2.713 -11.242   2.686
  587   3HG2  VAL  86          1HG2      VAL  86   1.431 -12.367   2.225
  588    H    ILE  87           HN       ILE  87   0.028  -7.358   0.329
  589    HA   ILE  87           HA       ILE  87  -1.728  -6.331   2.403
  590    HB   ILE  87           HB       ILE  87  -0.119  -4.709   2.463
  591   1HG1  ILE  87          2HG1      ILE  87  -2.487  -3.803   1.800
  592   2HG1  ILE  87          3HG1      ILE  87  -1.102  -2.714   1.864
  593   1HG2  ILE  87          1HG2      ILE  87   0.320  -4.866  -0.450
  594   2HG2  ILE  87          2HG2      ILE  87   0.964  -3.576   0.589
  595   3HG2  ILE  87          3HG2      ILE  87   1.454  -5.259   0.854
  596   1HD1  ILE  87           HD3      ILE  87  -1.766  -4.154  -0.697
  597   2HD1  ILE  87           HD1      ILE  87  -2.553  -2.643  -0.294
  598   3HD1  ILE  87           HD2      ILE  87  -0.798  -2.692  -0.444
  599    H    GLU  88           HN       GLU  88  -3.735  -5.561   1.558
  600    HA   GLU  88           HA       GLU  88  -4.390  -6.464  -1.218
  601   1HB   GLU  88          2HB       GLU  88  -6.271  -5.539   0.922
  602   2HB   GLU  88          3HB       GLU  88  -6.692  -6.487  -0.519
  603   1HG   GLU  88          2HG       GLU  88  -5.617  -8.450   0.561
  604   2HG   GLU  88          3HG       GLU  88  -5.142  -7.424   1.921
  605    H    THR  89           HN       THR  89  -4.826  -4.895  -2.767
  606    HA   THR  89           HA       THR  89  -4.585  -2.044  -1.839
  607    HB   THR  89           HB       THR  89  -4.227  -1.427  -4.170
  608    HG1  THR  89           HG1      THR  89  -4.887  -4.128  -4.722
  609   1HG2  THR  89          1HG2      THR  89  -2.689  -3.953  -3.452
  610   2HG2  THR  89          2HG2      THR  89  -2.297  -2.802  -4.738
  611   3HG2  THR  89          3HG2      THR  89  -2.274  -2.275  -3.042
  612    H    HIS  90           HN       HIS  90  -6.213  -0.495  -3.102
  613    HA   HIS  90           HA       HIS  90  -8.316   0.208  -3.592
  614   1HB   HIS  90          2HB       HIS  90  -9.046  -2.730  -4.026
  615   2HB   HIS  90          3HB       HIS  90  -9.993  -1.326  -4.491
  616    HD1  HIS  90           HND      HIS  90  -6.238  -1.997  -5.272
  617    HD2  HIS  90           HD       HIS  90  -9.994  -1.457  -7.082
  618    HE1  HIS  90           HE       HIS  90  -5.839  -2.150  -7.738
  619    H    LYS  91           HN       LYS  91  -7.830   0.418  -1.015
  620    HA   LYS  91           HA       LYS  91 -10.316  -0.576   0.338
  621   1HB   LYS  91          2HB       LYS  91  -7.590  -0.183   1.580
  622   2HB   LYS  91          3HB       LYS  91  -9.020  -0.881   2.331
  623   1HG   LYS  91          2HG       LYS  91  -7.613  -2.082  -0.106
  624   2HG   LYS  91          3HG       LYS  91  -7.400  -2.597   1.562
  625   1HD   LYS  91          2HD       LYS  91  -9.519  -3.310   1.827
  626   2HD   LYS  91          3HD       LYS  91 -10.135  -2.592   0.356
  627   1HE   LYS  91          2HE       LYS  91  -9.287  -4.062  -1.097
  628   2HE   LYS  91          3HE       LYS  91  -7.906  -4.449  -0.071
  629   1HZ   LYS  91          1HNZ      LYS  91 -10.627  -5.332   0.645
  630   2HZ   LYS  91          2HNZ      LYS  91  -9.604  -6.238  -0.293
  631   3HZ   LYS  91          3HNZ      LYS  91  -9.170  -5.884   1.217
  632    H    GLU  92           HN       GLU  92 -10.049   1.980  -1.051
  633    HA   GLU  92           HA       GLU  92  -9.866   4.075   0.916
  634   1HB   GLU  92          2HB       GLU  92  -9.759   4.455  -1.486
  635   2HB   GLU  92          3HB       GLU  92 -11.402   3.859  -1.741
  636   1HG   GLU  92          2HG       GLU  92 -12.381   5.741  -0.665
  637   2HG   GLU  92          3HG       GLU  92 -10.857   6.183   0.122
  638    H    GLU  93           HN       GLU  93 -12.904   2.761  -0.549
  639    HA   GLU  93           HA       GLU  93 -14.359   3.557   1.836
  640   1HB   GLU  93          2HB       GLU  93 -15.280   2.070  -0.674
  641   2HB   GLU  93          3HB       GLU  93 -16.332   2.725   0.583
  642   1HG   GLU  93          2HG       GLU  93 -15.554   5.015   0.090
  643   2HG   GLU  93          3HG       GLU  93 -14.460   4.404  -1.160
  644    H    GLU  94           HN       GLU  94 -12.609   2.002   2.742
  645    HA   GLU  94           HA       GLU  94 -13.909  -0.363   3.920
  646   1HB   GLU  94          2HB       GLU  94 -11.333  -0.240   2.361
  647   2HB   GLU  94          3HB       GLU  94 -11.355  -1.242   3.791
  648   1HG   GLU  94          2HG       GLU  94 -13.692  -1.644   2.059
  649   2HG   GLU  94          3HG       GLU  94 -12.180  -1.974   1.237
  650    H    ILE  95           HN       ILE  95 -11.117   2.003   3.928
  651    HA   ILE  95           HA       ILE  95 -10.737   1.650   6.766
  652    HB   ILE  95           HB       ILE  95  -9.152   3.410   6.583
  653   1HG1  ILE  95          2HG1      ILE  95  -9.787   3.692   3.623
  654   2HG1  ILE  95          3HG1      ILE  95 -10.369   4.806   4.879
  655   1HG2  ILE  95          3HG2      ILE  95  -8.737   1.087   5.947
  656   2HG2  ILE  95          1HG2      ILE  95  -8.815   1.470   4.240
  657   3HG2  ILE  95          2HG2      ILE  95  -7.563   2.209   5.268
  658   1HD1  ILE  95           HD2      ILE  95  -7.460   4.253   4.368
  659   2HD1  ILE  95           HD3      ILE  95  -8.385   5.646   3.785
  660   3HD1  ILE  95           HD1      ILE  95  -8.146   5.379   5.542
  661    H    VAL  96           HN       VAL  96 -12.562   4.011   4.821
  662    HA   VAL  96           HA       VAL  96 -13.330   5.452   7.293
  663    HB   VAL  96           HB       VAL  96 -14.574   6.928   5.827
  664   1HG1  VAL  96          3HG1      VAL  96 -12.148   7.350   6.302
  665   2HG1  VAL  96          1HG1      VAL  96 -11.751   6.563   4.757
  666   3HG1  VAL  96          2HG1      VAL  96 -12.711   8.048   4.772
  667   1HG2  VAL  96          1HG2      VAL  96 -15.178   5.347   4.003
  668   2HG2  VAL  96          2HG2      VAL  96 -14.414   6.826   3.394
  669   3HG2  VAL  96          3HG2      VAL  96 -13.481   5.325   3.477
   
  No H/Q in entry =         668
  Start of MODEL   15
    1   1H    ALA   1          1HN       ALA   1  14.426  -3.685   0.988
    2   2H    ALA   1          2HN       ALA   1  15.654  -2.725   1.430
    3   2H    ALA   1          3HN       ALA   1  15.654  -2.725   1.430
    4    HA   ALA   1           HA       ALA   1  16.474  -3.265  -0.450
    5   1HB   ALA   1          1HB       ALA   1  17.975  -3.961   1.302
    6   2HB   ALA   1          2HB       ALA   1  17.284  -5.605   1.276
    7   3HB   ALA   1          3HB       ALA   1  18.153  -4.978  -0.162
    8    H    THR   2           HN       THR   2  14.523  -3.450  -1.495
    9    HA   THR   2           HA       THR   2  13.245  -4.291  -3.099
   10    HB   THR   2           HB       THR   2  15.662  -6.086  -3.509
   11    HG1  THR   2           HG1      THR   2  15.375  -3.286  -3.926
   12   1HG2  THR   2          2HG2      THR   2  13.803  -4.590  -5.428
   13   2HG2  THR   2          3HG2      THR   2  15.298  -5.414  -5.905
   14   3HG2  THR   2          1HG2      THR   2  13.946  -6.348  -5.239
   15    H    TYR   3           HN       TYR   3  11.684  -5.183  -1.629
   16    HA   TYR   3           HA       TYR   3  11.862  -8.103  -1.120
   17   1HB   TYR   3          2HB       TYR   3   9.973  -6.013  -0.019
   18   2HB   TYR   3          3HB       TYR   3  10.157  -7.671   0.547
   19    HD1  TYR   3           HD2      TYR   3  12.753  -8.319   1.152
   20    HD2  TYR   3           HD1      TYR   3  11.142  -4.323   1.082
   21    HE1  TYR   3           HE2      TYR   3  14.415  -7.614   2.851
   22    HE2  TYR   3           HE1      TYR   3  12.711  -3.668   2.863
   23    HH   TYR   3           HOH      TYR   3  13.734  -4.852   4.783
   24    H    ASN   4           HN       ASN   4   9.993  -9.406  -1.222
   25    HA   ASN   4           HA       ASN   4   8.534  -9.200  -3.734
   26   1HB   ASN   4          2HB       ASN   4   9.650 -11.244  -2.834
   27   2HB   ASN   4          3HB       ASN   4   8.542 -11.278  -1.490
   28   1HD2  ASN   4          2HND      ASN   4   5.757 -12.486  -3.323
   29   2HD2  ASN   4          1HND      ASN   4   6.242 -11.341  -2.062
   30    H    VAL   5           HN       VAL   5   7.126  -7.403  -3.305
   31    HA   VAL   5           HA       VAL   5   5.356  -7.563  -0.923
   32    HB   VAL   5           HB       VAL   5   5.399  -5.516  -3.149
   33   1HG1  VAL   5          2HG1      VAL   5   3.818  -5.740  -0.535
   34   2HG1  VAL   5          3HG1      VAL   5   4.081  -4.197  -1.347
   35   3HG1  VAL   5          1HG1      VAL   5   3.213  -5.493  -2.171
   36   1HG2  VAL   5          2HG2      VAL   5   6.644  -5.497  -0.362
   37   2HG2  VAL   5          3HG2      VAL   5   7.480  -5.392  -1.915
   38   3HG2  VAL   5          1HG2      VAL   5   6.433  -4.062  -1.384
   39    H    LYS   6           HN       LYS   6   3.352  -8.680  -1.050
   40    HA   LYS   6           HA       LYS   6   2.238  -9.056  -3.751
   41   1HB   LYS   6          2HB       LYS   6   2.519 -10.922  -2.094
   42   2HB   LYS   6          3HB       LYS   6   1.195 -10.188  -1.185
   43   1HG   LYS   6          2HG       LYS   6  -0.133 -10.114  -3.435
   44   2HG   LYS   6          3HG       LYS   6   1.184 -11.077  -4.115
   45   1HD   LYS   6          2HD       LYS   6  -0.908 -11.803  -2.086
   46   2HD   LYS   6          3HD       LYS   6  -0.413 -12.479  -3.657
   47   1HE   LYS   6          2HE       LYS   6   1.875 -12.981  -2.292
   48   2HE   LYS   6          3HE       LYS   6   0.820 -12.823  -0.930
   49   1HZ   LYS   6          2HNZ      LYS   6  -0.637 -14.393  -2.541
   50   2HZ   LYS   6          3HNZ      LYS   6   0.822 -14.583  -3.288
   51   3HZ   LYS   6          1HNZ      LYS   6   0.653 -15.110  -1.725
   52    H    LEU   7           HN       LEU   7   0.582  -8.038  -4.516
   53    HA   LEU   7           HA       LEU   7  -1.178  -6.470  -2.724
   54   1HB   LEU   7          2HB       LEU   7  -0.672  -6.018  -5.678
   55   2HB   LEU   7          3HB       LEU   7  -1.637  -5.032  -4.597
   56    HG   LEU   7           HG       LEU   7   1.377  -5.423  -4.543
   57   1HD1  LEU   7          1HD1      LEU   7  -0.391  -3.254  -5.607
   58   2HD1  LEU   7          2HD1      LEU   7   1.161  -2.798  -4.872
   59   3HD1  LEU   7          3HD1      LEU   7   1.133  -3.926  -6.215
   60   1HD2  LEU   7          2HD2      LEU   7  -0.371  -3.832  -2.644
   61   2HD2  LEU   7          3HD2      LEU   7   0.747  -5.166  -2.294
   62   3HD2  LEU   7          1HD2      LEU   7   1.381  -3.617  -2.798
   63    H    ILE   8           HN       ILE   8  -2.896  -7.625  -2.239
   64    HA   ILE   8           HA       ILE   8  -3.933  -9.673  -4.089
   65    HB   ILE   8           HB       ILE   8  -4.752  -8.706  -1.344
   66   1HG1  ILE   8          2HG1      ILE   8  -3.729 -11.450  -1.974
   67   2HG1  ILE   8          3HG1      ILE   8  -2.579 -10.126  -1.739
   68   1HG2  ILE   8          1HG2      ILE   8  -5.909 -10.960  -3.042
   69   2HG2  ILE   8          2HG2      ILE   8  -6.254 -10.729  -1.318
   70   3HG2  ILE   8          3HG2      ILE   8  -6.774  -9.517  -2.478
   71   1HD1  ILE   8           HD1      ILE   8  -4.695 -10.922   0.297
   72   2HD1  ILE   8           HD2      ILE   8  -2.987 -11.380   0.334
   73   3HD1  ILE   8           HD3      ILE   8  -3.446  -9.666   0.467
   74    H    THR   9           HN       THR   9  -4.308  -8.347  -5.864
   75    HA   THR   9           HA       THR   9  -6.250  -6.225  -5.650
   76    HB   THR   9           HB       THR   9  -5.987  -6.099  -8.046
   77    HG1  THR   9           HG1      THR   9  -5.530  -8.470  -8.275
   78   1HG2  THR   9          1HG2      THR   9  -3.302  -6.470  -6.604
   79   2HG2  THR   9          2HG2      THR   9  -3.500  -5.690  -8.179
   80   3HG2  THR   9          3HG2      THR   9  -4.218  -4.946  -6.747
   81    HA   PRO  10           HA       PRO  10  -9.934  -8.590  -6.256
   82   1HB   PRO  10          2HB       PRO  10 -10.642  -6.840  -8.578
   83   2HB   PRO  10          3HB       PRO  10 -11.616  -7.288  -7.139
   84   1HG   PRO  10          2HG       PRO  10 -10.414  -4.887  -7.341
   85   2HG   PRO  10          3HG       PRO  10 -10.449  -5.739  -5.781
   86   1HD   PRO  10          2HD       PRO  10  -8.161  -5.357  -7.557
   87   2HD   PRO  10          3HD       PRO  10  -8.238  -5.652  -5.840
   88    H    ASP  11           HN       ASP  11  -8.198  -7.798  -9.225
   89    HA   ASP  11           HA       ASP  11  -8.950  -9.598 -11.150
   90   1HB   ASP  11          2HB       ASP  11  -6.240  -8.474 -10.277
   91   2HB   ASP  11          3HB       ASP  11  -6.476  -9.338 -11.771
   92    H    GLY  12           HN       GLY  12  -6.957 -10.039  -8.312
   93   1HA   GLY  12          2HA       GLY  12  -7.065 -12.021  -7.192
   94   2HA   GLY  12          3HA       GLY  12  -6.857 -12.995  -8.670
   95    H    GLU  13           HN       GLU  13  -5.238 -10.355  -6.915
   96    HA   GLU  13           HA       GLU  13  -3.173  -9.985  -6.109
   97   1HB   GLU  13          2HB       GLU  13  -2.782 -12.905  -6.664
   98   2HB   GLU  13          3HB       GLU  13  -1.570 -11.889  -5.910
   99   1HG   GLU  13          2HG       GLU  13  -2.800 -11.590  -3.958
  100   2HG   GLU  13          3HG       GLU  13  -4.319 -12.138  -4.688
  101    H    VAL  14           HN       VAL  14  -0.998  -9.534  -6.755
  102    HA   VAL  14           HA       VAL  14  -0.292 -10.182  -9.594
  103    HB   VAL  14           HB       VAL  14   0.812  -7.891  -9.691
  104   1HG1  VAL  14          1HG1      VAL  14  -1.238  -8.557 -10.940
  105   2HG1  VAL  14          2HG1      VAL  14  -2.220  -8.015  -9.552
  106   3HG1  VAL  14          3HG1      VAL  14  -1.249  -6.846 -10.471
  107   1HG2  VAL  14          1HG2      VAL  14  -1.181  -7.333  -7.442
  108   2HG2  VAL  14          2HG2      VAL  14   0.584  -7.105  -7.344
  109   3HG2  VAL  14          3HG2      VAL  14  -0.400  -6.110  -8.419
  110    H    GLU  15           HN       GLU  15   1.249  -8.757  -6.747
  111    HA   GLU  15           HA       GLU  15   3.079  -9.251  -5.608
  112   1HB   GLU  15          2HB       GLU  15   2.215 -11.778  -6.260
  113   2HB   GLU  15          3HB       GLU  15   3.846 -11.781  -6.959
  114   1HG   GLU  15          2HG       GLU  15   4.887 -11.397  -4.938
  115   2HG   GLU  15          3HG       GLU  15   3.424 -10.895  -4.113
  116    H    PHE  16           HN       PHE  16   5.060  -8.381  -5.664
  117    HA   PHE  16           HA       PHE  16   6.637  -8.299  -8.129
  118   1HB   PHE  16          2HB       PHE  16   6.181  -6.242  -8.878
  119   2HB   PHE  16          3HB       PHE  16   4.599  -6.862  -8.564
  120    HD1  PHE  16           HD2      PHE  16   3.680  -6.232  -6.078
  121    HD2  PHE  16           HD1      PHE  16   7.056  -4.332  -7.970
  122    HE1  PHE  16           HE2      PHE  16   3.510  -4.358  -4.520
  123    HE2  PHE  16           HE1      PHE  16   6.902  -2.507  -6.405
  124    HZ   PHE  16           HZ       PHE  16   5.021  -2.359  -4.773
  125    H    LYS  17           HN       LYS  17   8.404  -6.572  -8.004
  126    HA   LYS  17           HA       LYS  17   9.559  -6.827  -5.296
  127   1HB   LYS  17          2HB       LYS  17  10.633  -7.246  -7.905
  128   2HB   LYS  17          3HB       LYS  17  11.485  -5.883  -7.195
  129   1HG   LYS  17          2HG       LYS  17  12.687  -7.867  -6.493
  130   2HG   LYS  17          3HG       LYS  17  11.844  -7.170  -5.108
  131   1HD   LYS  17          2HD       LYS  17  11.129  -9.273  -4.727
  132   2HD   LYS  17          3HD       LYS  17   9.908  -8.856  -5.915
  133   1HE   LYS  17          2HE       LYS  17  12.514 -10.328  -6.508
  134   2HE   LYS  17          3HE       LYS  17  10.908 -11.062  -6.394
  135   1HZ   LYS  17          2HNZ      LYS  17  10.218  -9.721  -8.271
  136   2HZ   LYS  17          3HNZ      LYS  17  11.700  -9.032  -8.381
  137   3HZ   LYS  17          1HNZ      LYS  17  11.522 -10.641  -8.675
  138    H    CYS  18           HN       CYS  18   9.581  -5.239  -3.975
  139    HA   CYS  18           HA       CYS  18   9.619  -2.409  -5.008
  140   1HB   CYS  18          2HB       CYS  18   7.405  -3.283  -4.059
  141   2HB   CYS  18          3HB       CYS  18   8.268  -3.291  -2.522
  142    HG   CYS  18           HSG      CYS  18   7.749  -0.864  -4.723
  143    H    ASP  19           HN       ASP  19  11.205  -1.132  -4.253
  144    HA   ASP  19           HA       ASP  19  13.174  -2.230  -2.417
  145   1HB   ASP  19          2HB       ASP  19  13.090   0.544  -3.653
  146   2HB   ASP  19          3HB       ASP  19  14.467  -0.275  -2.918
  147    H    ASP  20           HN       ASP  20  13.846  -1.235  -0.445
  148    HA   ASP  20           HA       ASP  20  11.587  -0.319   1.132
  149   1HB   ASP  20          2HB       ASP  20  13.358  -0.034   2.947
  150   2HB   ASP  20          3HB       ASP  20  13.151  -1.633   2.277
  151    H    ASP  21           HN       ASP  21  13.882   1.209  -0.880
  152    HA   ASP  21           HA       ASP  21  13.649   3.876   0.339
  153   1HB   ASP  21          2HB       ASP  21  15.031   2.893  -2.195
  154   2HB   ASP  21          3HB       ASP  21  15.121   4.530  -1.538
  155    H    VAL  22           HN       VAL  22  11.533   2.047  -1.621
  156    HA   VAL  22           HA       VAL  22  10.624   4.495  -3.060
  157    HB   VAL  22           HB       VAL  22  12.184   2.870  -4.375
  158   1HG1  VAL  22          2HG1      VAL  22  10.791   0.831  -3.619
  159   2HG1  VAL  22          3HG1      VAL  22   9.602   1.340  -4.815
  160   3HG1  VAL  22          1HG1      VAL  22  11.271   0.954  -5.309
  161   1HG2  VAL  22          1HG2      VAL  22  10.878   4.701  -5.402
  162   2HG2  VAL  22          2HG2      VAL  22  10.901   3.251  -6.434
  163   3HG2  VAL  22          3HG2      VAL  22   9.469   3.624  -5.456
  164    H    TYR  23           HN       TYR  23   8.392   4.461  -3.732
  165    HA   TYR  23           HA       TYR  23   6.854   3.263  -1.627
  166   1HB   TYR  23          2HB       TYR  23   5.909   4.803  -4.050
  167   2HB   TYR  23          3HB       TYR  23   4.954   4.427  -2.622
  168    HD1  TYR  23           HD2      TYR  23   6.658   5.081  -0.332
  169    HD2  TYR  23           HD1      TYR  23   6.130   7.144  -4.089
  170    HE1  TYR  23           HE2      TYR  23   6.977   7.250   0.800
  171    HE2  TYR  23           HE1      TYR  23   6.579   9.293  -2.968
  172    HH   TYR  23           HOH      TYR  23   6.950  10.354  -0.957
  173    H    VAL  24           HN       VAL  24   5.008   1.940  -1.837
  174    HA   VAL  24           HA       VAL  24   5.277  -0.234  -3.723
  175    HB   VAL  24           HB       VAL  24   2.832   0.240  -2.016
  176   1HG1  VAL  24          2HG1      VAL  24   3.037  -1.792  -3.573
  177   2HG1  VAL  24          3HG1      VAL  24   4.456  -2.269  -2.608
  178   3HG1  VAL  24          1HG1      VAL  24   2.851  -2.191  -1.851
  179   1HG2  VAL  24          1HG2      VAL  24   5.569  -0.603  -1.052
  180   2HG2  VAL  24          2HG2      VAL  24   4.459   0.622  -0.380
  181   3HG2  VAL  24          3HG2      VAL  24   4.071  -1.085  -0.211
  182    H    LEU  25           HN       LEU  25   5.045   1.879  -5.319
  183    HA   LEU  25           HA       LEU  25   2.699   1.186  -6.873
  184   1HB   LEU  25          2HB       LEU  25   1.846   2.970  -5.348
  185   2HB   LEU  25          3HB       LEU  25   2.995   4.113  -6.044
  186    HG   LEU  25           HG       LEU  25   1.136   2.542  -7.875
  187   1HD1  LEU  25          2HD1      LEU  25   0.336   4.929  -6.183
  188   2HD1  LEU  25          3HD1      LEU  25  -0.596   4.308  -7.570
  189   3HD1  LEU  25          1HD1      LEU  25  -0.360   3.304  -6.131
  190   1HD2  LEU  25          1HD2      LEU  25   2.253   5.383  -7.956
  191   2HD2  LEU  25          2HD2      LEU  25   2.819   4.025  -8.932
  192   3HD2  LEU  25          3HD2      LEU  25   1.191   4.655  -9.179
  193    H    ASP  26           HN       ASP  26   5.352   3.556  -6.434
  194    HA   ASP  26           HA       ASP  26   6.084   4.048  -9.077
  195   1HB   ASP  26          2HB       ASP  26   7.624   3.734  -6.487
  196   2HB   ASP  26          3HB       ASP  26   8.457   4.172  -7.990
  197    H    GLN  27           HN       GLN  27   7.541   1.521  -7.001
  198    HA   GLN  27           HA       GLN  27   8.748   0.170  -9.264
  199   1HB   GLN  27          2HB       GLN  27   8.658  -0.170  -6.308
  200   2HB   GLN  27          3HB       GLN  27   8.792  -1.678  -7.194
  201   1HG   GLN  27          2HG       GLN  27  10.636   0.679  -7.497
  202   2HG   GLN  27          3HG       GLN  27  10.989  -0.833  -6.614
  203   1HE2  GLN  27          2HNE      GLN  27  10.861  -2.678  -9.892
  204   2HE2  GLN  27          1HNE      GLN  27  10.194  -2.883  -8.265
  205    H    ALA  28           HN       ALA  28   5.536   0.241  -8.396
  206    HA   ALA  28           HA       ALA  28   4.942  -2.606  -9.041
  207   1HB   ALA  28          1HB       ALA  28   3.844  -0.994  -7.214
  208   2HB   ALA  28          2HB       ALA  28   2.846  -0.524  -8.620
  209   3HB   ALA  28          3HB       ALA  28   2.920  -2.213  -8.074
  210    H    GLU  29           HN       GLU  29   4.229   0.711 -10.225
  211    HA   GLU  29           HA       GLU  29   2.880   0.028 -12.563
  212   1HB   GLU  29          2HB       GLU  29   4.682   2.393 -11.886
  213   2HB   GLU  29          3HB       GLU  29   3.777   2.269 -13.402
  214   1HG   GLU  29          2HG       GLU  29   1.649   2.020 -12.123
  215   2HG   GLU  29          3HG       GLU  29   2.537   2.288 -10.620
  216    H    GLU  30           HN       GLU  30   6.423   0.210 -11.967
  217    HA   GLU  30           HA       GLU  30   7.145  -0.236 -14.668
  218   1HB   GLU  30          2HB       GLU  30   9.329  -0.544 -14.001
  219   2HB   GLU  30          3HB       GLU  30   8.632   0.602 -12.866
  220   1HG   GLU  30          2HG       GLU  30   9.603  -0.697 -11.310
  221   2HG   GLU  30          3HG       GLU  30   8.172  -1.714 -11.506
  222    H    GLU  31           HN       GLU  31   6.071  -2.581 -12.259
  223    HA   GLU  31           HA       GLU  31   6.775  -4.832 -14.010
  224   1HB   GLU  31          2HB       GLU  31   4.976  -4.805 -11.564
  225   2HB   GLU  31          3HB       GLU  31   5.774  -6.195 -12.312
  226   1HG   GLU  31          2HG       GLU  31   7.753  -4.152 -11.748
  227   2HG   GLU  31          3HG       GLU  31   6.753  -4.310 -10.347
  228    H    GLY  32           HN       GLY  32   4.180  -2.651 -13.434
  229   1HA   GLY  32          2HA       GLY  32   2.696  -2.222 -15.341
  230   2HA   GLY  32          3HA       GLY  32   2.426  -3.963 -15.496
  231    H    ILE  33           HN       ILE  33   2.665  -2.901 -12.183
  232    HA   ILE  33           HA       ILE  33  -0.137  -3.621 -11.817
  233    HB   ILE  33           HB       ILE  33   1.880  -2.456  -9.916
  234   1HG1  ILE  33          2HG1      ILE  33   1.005  -5.288 -10.530
  235   2HG1  ILE  33          3HG1      ILE  33   2.617  -4.592 -10.832
  236   1HG2  ILE  33          2HG2      ILE  33  -0.568  -2.164  -9.215
  237   2HG2  ILE  33          3HG2      ILE  33  -0.705  -3.925  -9.234
  238   3HG2  ILE  33          1HG2      ILE  33   0.405  -3.096  -8.116
  239   1HD1  ILE  33           HD3      ILE  33   1.506  -5.012  -8.051
  240   2HD1  ILE  33           HD1      ILE  33   2.606  -6.081  -8.903
  241   3HD1  ILE  33           HD2      ILE  33   3.111  -4.420  -8.514
  242    H    ASP  34           HN       ASP  34  -1.801  -2.368 -12.086
  243    HA   ASP  34           HA       ASP  34  -1.662   0.593 -11.719
  244   1HB   ASP  34          2HB       ASP  34  -2.701  -0.317 -13.792
  245   2HB   ASP  34          3HB       ASP  34  -3.888  -1.182 -12.802
  246    H    ILE  35           HN       ILE  35  -2.043   1.168  -9.548
  247    HA   ILE  35           HA       ILE  35  -4.135  -0.267  -8.084
  248    HB   ILE  35           HB       ILE  35  -2.089   1.623  -7.067
  249   1HG1  ILE  35          2HG1      ILE  35  -1.918  -1.414  -6.863
  250   2HG1  ILE  35          3HG1      ILE  35  -0.839  -0.366  -7.806
  251   1HG2  ILE  35          1HG2      ILE  35  -3.997   1.636  -5.794
  252   2HG2  ILE  35          2HG2      ILE  35  -3.950  -0.144  -5.587
  253   3HG2  ILE  35          3HG2      ILE  35  -2.709   0.912  -4.851
  254   1HD1  ILE  35           HD1      ILE  35  -0.182   0.800  -5.653
  255   2HD1  ILE  35           HD2      ILE  35  -0.987  -0.530  -4.792
  256   3HD1  ILE  35           HD3      ILE  35   0.378  -0.860  -5.863
  257    HA   PRO  36           HA       PRO  36  -5.965   3.754  -9.220
  258   1HB   PRO  36          2HB       PRO  36  -8.214   3.707  -7.653
  259   2HB   PRO  36          3HB       PRO  36  -8.016   2.694  -9.114
  260   1HG   PRO  36          2HG       PRO  36  -7.731   1.898  -6.240
  261   2HG   PRO  36          3HG       PRO  36  -8.443   0.969  -7.590
  262   1HD   PRO  36          2HD       PRO  36  -5.855   0.702  -6.568
  263   2HD   PRO  36          3HD       PRO  36  -6.217   0.198  -8.230
  264    H    TYR  37           HN       TYR  37  -4.752   5.424  -8.445
  265    HA   TYR  37           HA       TYR  37  -4.189   5.985  -5.664
  266   1HB   TYR  37          2HB       TYR  37  -4.083   7.534  -8.276
  267   2HB   TYR  37          3HB       TYR  37  -3.952   8.390  -6.752
  268    HD1  TYR  37           HD1      TYR  37  -2.245   7.626  -5.009
  269    HD2  TYR  37           HD2      TYR  37  -1.993   6.931  -9.258
  270    HE1  TYR  37           HE1      TYR  37   0.208   7.897  -4.913
  271    HE2  TYR  37           HE2      TYR  37   0.467   7.219  -9.151
  272    HH   TYR  37           HOH      TYR  37   2.217   7.718  -6.106
  273    H    SER  38           HN       SER  38  -5.872   8.411  -7.474
  274    HA   SER  38           HA       SER  38  -8.161   9.170  -7.142
  275   1HB   SER  38          2HB       SER  38  -8.807   7.620  -5.330
  276   2HB   SER  38          3HB       SER  38  -7.678   8.432  -4.229
  277    HG   SER  38           HOG      SER  38  -9.647   9.283  -3.882
  278    H    CYS  39           HN       CYS  39  -5.779   9.622  -4.440
  279    HA   CYS  39           HA       CYS  39  -5.395  12.456  -5.284
  280   1HB   CYS  39          2HB       CYS  39  -4.833  12.796  -2.858
  281   2HB   CYS  39          3HB       CYS  39  -6.488  12.407  -3.283
  282    H    ARG  40           HN       ARG  40  -3.191  13.126  -3.984
  283    HA   ARG  40           HA       ARG  40  -1.006  11.325  -4.055
  284   1HB   ARG  40          2HB       ARG  40  -1.388  13.096  -6.460
  285   2HB   ARG  40          3HB       ARG  40   0.228  12.946  -5.748
  286   1HG   ARG  40          2HG       ARG  40  -0.094  10.411  -5.838
  287   2HG   ARG  40          3HG       ARG  40  -1.422  10.697  -6.955
  288   1HD   ARG  40          2HD       ARG  40   1.211  12.040  -7.614
  289   2HD   ARG  40          3HD       ARG  40   1.174  10.295  -7.639
  290    HE   ARG  40           HNE      ARG  40  -0.084  10.206  -9.479
  291   1HH1  ARG  40          2HN2      ARG  40  -0.312  13.447  -8.186
  292   2HH1  ARG  40          1HN2      ARG  40  -1.081  14.163  -9.573
  293   1HH2  ARG  40          2HN1      ARG  40  -1.090  11.072 -11.373
  294   2HH2  ARG  40          1HN1      ARG  40  -1.541  12.746 -11.444
  295    H    ALA  41           HN       ALA  41   0.715  12.225  -3.028
  296    HA   ALA  41           HA       ALA  41   2.073  13.694  -1.984
  297   1HB   ALA  41          2HB       ALA  41   1.385  15.514  -3.519
  298   2HB   ALA  41          3HB       ALA  41   0.089  15.956  -2.381
  299   3HB   ALA  41          1HB       ALA  41   1.776  16.045  -1.871
  300    H    GLY  42           HN       GLY  42   1.874  12.470  -0.184
  301   1HA   GLY  42          2HA       GLY  42  -0.003  11.905   1.580
  302   2HA   GLY  42          3HA       GLY  42   1.643  12.245   2.115
  303    H    SER  43           HN       SER  43  -0.919  12.620   3.477
  304    HA   SER  43           HA       SER  43  -1.967  14.088   4.857
  305   1HB   SER  43          2HB       SER  43   0.008  15.708   4.668
  306   2HB   SER  43          3HB       SER  43  -0.904  16.492   3.354
  307    HG   SER  43           HOG      SER  43  -1.338  17.450   5.372
  308    H    CYS  44           HN       CYS  44  -2.954  12.634   2.823
  309    HA   CYS  44           HA       CYS  44  -5.077  14.270   1.620
  310   1HB   CYS  44          2HB       CYS  44  -4.648  13.070  -0.517
  311   2HB   CYS  44          3HB       CYS  44  -3.458  14.264  -0.031
  312    H    SER  45           HN       SER  45  -6.994  13.203   1.525
  313    HA   SER  45           HA       SER  45  -7.126  10.707   3.133
  314   1HB   SER  45          2HB       SER  45  -9.251  12.820   2.704
  315   2HB   SER  45          3HB       SER  45  -9.294  11.433   3.810
  316    HG   SER  45           HOG      SER  45  -8.635  13.247   4.958
  317    H    SER  46           HN       SER  46  -6.708   9.400   1.105
  318    HA   SER  46           HA       SER  46  -9.213   8.337   0.310
  319   1HB   SER  46          2HB       SER  46  -8.503  10.365  -1.425
  320   2HB   SER  46          3HB       SER  46  -7.603   9.011  -2.116
  321    HG   SER  46           HOG      SER  46 -10.375   8.934  -1.494
  322    H    CYS  47           HN       CYS  47  -8.335   6.660  -1.687
  323    HA   CYS  47           HA       CYS  47  -7.126   4.789  -2.145
  324   1HB   CYS  47          2HB       CYS  47  -4.757   5.903  -0.778
  325   2HB   CYS  47          3HB       CYS  47  -4.819   4.956  -2.251
  326    H    ALA  48           HN       ALA  48  -5.586   3.071  -1.089
  327    HA   ALA  48           HA       ALA  48  -4.543   2.755   1.194
  328   1HB   ALA  48          3HB       ALA  48  -7.476   2.457   1.912
  329   2HB   ALA  48          1HB       ALA  48  -6.216   1.681   2.866
  330   3HB   ALA  48          2HB       ALA  48  -6.192   3.422   2.692
  331    H    GLY  49           HN       GLY  49  -4.480   0.567   2.233
  332   1HA   GLY  49          2HA       GLY  49  -5.677  -1.563   0.715
  333   2HA   GLY  49          3HA       GLY  49  -3.910  -1.631   0.820
  334    H    LYS  50           HN       LYS  50  -5.454  -3.673   1.950
  335    HA   LYS  50           HA       LYS  50  -5.382  -3.237   4.836
  336   1HB   LYS  50          2HB       LYS  50  -7.259  -4.274   3.302
  337   2HB   LYS  50          3HB       LYS  50  -6.357  -5.769   3.488
  338   1HG   LYS  50          2HG       LYS  50  -6.763  -5.874   5.817
  339   2HG   LYS  50          3HG       LYS  50  -7.024  -4.125   5.938
  340   1HD   LYS  50          2HD       LYS  50  -9.032  -4.405   4.425
  341   2HD   LYS  50          3HD       LYS  50  -8.927  -6.149   4.729
  342   1HE   LYS  50          2HE       LYS  50  -9.181  -5.794   7.151
  343   2HE   LYS  50          3HE       LYS  50  -9.026  -4.062   6.986
  344   1HZ   LYS  50          2HNZ      LYS  50 -11.284  -5.472   5.725
  345   2HZ   LYS  50          3HNZ      LYS  50 -11.334  -4.793   7.229
  346   3HZ   LYS  50          1HNZ      LYS  50 -11.084  -3.851   5.926
  347    H    VAL  51           HN       VAL  51  -3.511  -3.801   5.871
  348    HA   VAL  51           HA       VAL  51  -1.399  -5.388   4.696
  349    HB   VAL  51           HB       VAL  51  -2.005  -4.467   7.575
  350   1HG1  VAL  51          2HG1      VAL  51   0.563  -5.697   6.508
  351   2HG1  VAL  51          3HG1      VAL  51   0.349  -4.932   8.100
  352   3HG1  VAL  51          1HG1      VAL  51  -0.543  -6.401   7.720
  353   1HG2  VAL  51          3HG2      VAL  51  -0.666  -3.146   5.293
  354   2HG2  VAL  51          1HG2      VAL  51  -1.373  -2.442   6.779
  355   3HG2  VAL  51          2HG2      VAL  51   0.259  -3.075   6.796
  356    H    VAL  52           HN       VAL  52  -1.509  -7.544   4.408
  357    HA   VAL  52           HA       VAL  52  -3.273  -9.194   6.156
  358    HB   VAL  52           HB       VAL  52  -1.756  -9.767   3.604
  359   1HG1  VAL  52          1HG1      VAL  52  -3.574 -11.597   5.227
  360   2HG1  VAL  52          2HG1      VAL  52  -2.989 -11.935   3.584
  361   3HG1  VAL  52          3HG1      VAL  52  -1.840 -11.841   4.919
  362   1HG2  VAL  52          2HG2      VAL  52  -4.718  -9.421   4.230
  363   2HG2  VAL  52          3HG2      VAL  52  -3.696  -8.376   3.222
  364   3HG2  VAL  52          1HG2      VAL  52  -4.087 -10.017   2.688
  365    H    SER  53           HN       SER  53   0.194  -8.874   5.136
  366    HA   SER  53           HA       SER  53   1.052  -9.865   7.725
  367   1HB   SER  53          2HB       SER  53   0.514 -12.002   6.522
  368   2HB   SER  53          3HB       SER  53   1.707 -11.567   5.276
  369    HG   SER  53           HOG      SER  53   2.624 -12.894   6.917
  370    H    GLY  54           HN       GLY  54   3.528 -10.111   7.614
  371   1HA   GLY  54          2HA       GLY  54   5.574  -8.960   7.328
  372   2HA   GLY  54          3HA       GLY  54   4.965  -8.280   5.843
  373    H    SER  55           HN       SER  55   5.999  -6.237   6.600
  374    HA   SER  55           HA       SER  55   3.882  -4.555   7.508
  375   1HB   SER  55          2HB       SER  55   4.946  -5.203   9.698
  376   2HB   SER  55          3HB       SER  55   6.459  -4.460   9.140
  377    HG   SER  55           HOG      SER  55   3.959  -3.272   9.739
  378    H    ILE  56           HN       ILE  56   4.755  -2.256   7.503
  379    HA   ILE  56           HA       ILE  56   6.849  -1.626   5.597
  380    HB   ILE  56           HB       ILE  56   5.309  -0.350   4.175
  381   1HG1  ILE  56          2HG1      ILE  56   3.037  -1.742   5.604
  382   2HG1  ILE  56          3HG1      ILE  56   3.395  -0.020   5.634
  383   1HG2  ILE  56          1HG2      ILE  56   5.813  -3.059   3.916
  384   2HG2  ILE  56          2HG2      ILE  56   4.063  -2.986   3.828
  385   3HG2  ILE  56          3HG2      ILE  56   5.023  -2.053   2.686
  386   1HD1  ILE  56           HD3      ILE  56   3.311  -0.498   2.894
  387   2HD1  ILE  56           HD1      ILE  56   2.108  -1.642   3.505
  388   3HD1  ILE  56           HD2      ILE  56   1.964   0.098   3.849
  389    H    ASP  57           HN       ASP  57   7.045   0.795   5.485
  390    HA   ASP  57           HA       ASP  57   6.075   2.147   7.979
  391   1HB   ASP  57          2HB       ASP  57   8.508   2.024   7.894
  392   2HB   ASP  57          3HB       ASP  57   8.526   2.683   6.251
  393    H    GLN  58           HN       GLN  58   4.266   3.232   7.420
  394    HA   GLN  58           HA       GLN  58   4.256   4.870   4.918
  395   1HB   GLN  58          2HB       GLN  58   1.757   4.672   5.222
  396   2HB   GLN  58          3HB       GLN  58   2.581   3.165   4.801
  397   1HG   GLN  58          2HG       GLN  58   2.452   2.324   7.024
  398   2HG   GLN  58          3HG       GLN  58   2.054   3.935   7.672
  399   1HE2  GLN  58          2HNE      GLN  58  -1.107   2.190   7.770
  400   2HE2  GLN  58          1HNE      GLN  58   0.476   2.104   8.526
  401    H    SER  59           HN       SER  59   5.524   5.610   7.552
  402    HA   SER  59           HA       SER  59   3.739   7.138   9.083
  403   1HB   SER  59          2HB       SER  59   5.821   8.282   9.920
  404   2HB   SER  59          3HB       SER  59   5.815   6.510  10.007
  405    HG   SER  59           HOG      SER  59   7.170   6.379   8.297
  406    H    ASP  60           HN       ASP  60   5.473   8.157   6.130
  407    HA   ASP  60           HA       ASP  60   5.254  10.889   6.250
  408   1HB   ASP  60          2HB       ASP  60   4.758   9.154   3.798
  409   2HB   ASP  60          3HB       ASP  60   5.334  10.829   3.801
  410    H    GLN  61           HN       GLN  61   2.668   8.615   5.586
  411    HA   GLN  61           HA       GLN  61   1.135   9.969   3.821
  412   1HB   GLN  61          2HB       GLN  61  -0.583   8.431   4.348
  413   2HB   GLN  61          3HB       GLN  61   0.975   7.608   4.573
  414   1HG   GLN  61          2HG       GLN  61   0.712   8.308   7.101
  415   2HG   GLN  61          3HG       GLN  61  -0.988   8.606   6.668
  416   1HE2  GLN  61          2HNE      GLN  61  -0.878   5.202   7.999
  417   2HE2  GLN  61          1HNE      GLN  61  -0.804   6.856   8.593
  418    H    SER  62           HN       SER  62   1.077  10.581   7.278
  419    HA   SER  62           HA       SER  62  -0.467  11.582   8.661
  420   1HB   SER  62          2HB       SER  62  -0.756  14.074   7.900
  421   2HB   SER  62          3HB       SER  62   0.824  13.425   8.343
  422    HG   SER  62           HOG      SER  62   1.248  13.087   6.105
  423    H    PHE  63           HN       PHE  63  -2.037   9.855   7.759
  424    HA   PHE  63           HA       PHE  63  -4.588  11.208   7.477
  425   1HB   PHE  63          2HB       PHE  63  -4.265  11.093   5.158
  426   2HB   PHE  63          3HB       PHE  63  -3.539   9.489   5.242
  427    HD1  PHE  63           HD1      PHE  63  -6.809  10.362   6.947
  428    HD2  PHE  63           HD2      PHE  63  -4.920   8.674   3.445
  429    HE1  PHE  63           HE1      PHE  63  -8.853   9.113   6.433
  430    HE2  PHE  63           HE2      PHE  63  -6.934   7.343   3.009
  431    HZ   PHE  63           HZ       PHE  63  -8.937   7.604   4.452
  432    H    LEU  64           HN       LEU  64  -3.478   7.730   6.999
  433    HA   LEU  64           HA       LEU  64  -5.787   6.810   8.108
  434   1HB   LEU  64          2HB       LEU  64  -3.109   5.446   7.948
  435   2HB   LEU  64          3HB       LEU  64  -4.389   4.698   8.842
  436    HG   LEU  64           HG       LEU  64  -5.908   4.940   6.799
  437   1HD1  LEU  64          3HD1      LEU  64  -3.199   5.567   5.613
  438   2HD1  LEU  64          1HD1      LEU  64  -4.582   5.010   4.635
  439   3HD1  LEU  64          2HD1      LEU  64  -4.666   6.558   5.498
  440   1HD2  LEU  64          3HD2      LEU  64  -3.425   3.193   6.712
  441   2HD2  LEU  64          1HD2      LEU  64  -4.934   2.866   7.595
  442   3HD2  LEU  64          2HD2      LEU  64  -4.943   2.905   5.819
  443    H    ASP  65           HN       ASP  65  -6.613   6.260  10.041
  444    HA   ASP  65           HA       ASP  65  -5.411   7.493  12.400
  445   1HB   ASP  65          2HB       ASP  65  -7.901   5.774  12.193
  446   2HB   ASP  65          3HB       ASP  65  -7.451   6.833  13.538
  447    H    ASP  66           HN       ASP  66  -5.290   6.288  14.462
  448    HA   ASP  66           HA       ASP  66  -3.529   4.068  14.453
  449   1HB   ASP  66          2HB       ASP  66  -5.461   5.191  16.541
  450   2HB   ASP  66          3HB       ASP  66  -4.406   3.806  16.847
  451    H    GLU  67           HN       GLU  67  -7.064   4.367  14.722
  452    HA   GLU  67           HA       GLU  67  -7.748   1.733  15.208
  453   1HB   GLU  67          2HB       GLU  67  -9.506   3.294  13.295
  454   2HB   GLU  67          3HB       GLU  67  -9.896   2.352  14.731
  455   1HG   GLU  67          2HG       GLU  67  -8.755   4.280  16.029
  456   2HG   GLU  67          3HG       GLU  67  -8.910   5.183  14.503
  457    H    GLN  68           HN       GLN  68  -7.767   3.332  11.973
  458    HA   GLN  68           HA       GLN  68  -8.119   1.097  10.435
  459   1HB   GLN  68          2HB       GLN  68  -6.531   3.599   9.830
  460   2HB   GLN  68          3HB       GLN  68  -7.092   2.452   8.606
  461   1HG   GLN  68          2HG       GLN  68  -9.379   2.791   9.071
  462   2HG   GLN  68          3HG       GLN  68  -9.042   3.763  10.503
  463   1HE2  GLN  68          2HNE      GLN  68  -9.827   5.983   7.642
  464   2HE2  GLN  68          1HNE      GLN  68 -10.651   4.585   8.299
  465    H    MET  69           HN       MET  69  -4.875   2.515  11.381
  466    HA   MET  69           HA       MET  69  -3.336   0.540  10.088
  467   1HB   MET  69          2HB       MET  69  -2.754   2.094  12.640
  468   2HB   MET  69          3HB       MET  69  -1.599   1.099  11.745
  469   1HG   MET  69          2HG       MET  69  -2.110   2.534   9.699
  470   2HG   MET  69          3HG       MET  69  -3.057   3.540  10.777
  471   1HE   MET  69           HE2      MET  69  -1.800   5.603  10.100
  472   2HE   MET  69           HE3      MET  69  -2.055   5.612  11.858
  473   3HE   MET  69           HE1      MET  69  -0.502   6.166  11.187
  474    H    ASP  70           HN       ASP  70  -4.422   0.522  13.520
  475    HA   ASP  70           HA       ASP  70  -3.344  -1.973  14.283
  476   1HB   ASP  70          2HB       ASP  70  -4.292  -0.246  15.835
  477   2HB   ASP  70          3HB       ASP  70  -5.906  -0.592  15.218
  478    H    ALA  71           HN       ALA  71  -6.415  -1.071  12.872
  479    HA   ALA  71           HA       ALA  71  -7.765  -3.577  12.932
  480   1HB   ALA  71          1HB       ALA  71  -8.055  -1.141  11.147
  481   2HB   ALA  71          2HB       ALA  71  -9.245  -2.460  11.231
  482   3HB   ALA  71          3HB       ALA  71  -8.927  -1.444  12.657
  483    H    GLY  72           HN       GLY  72  -5.218  -2.396  10.824
  484   1HA   GLY  72          2HA       GLY  72  -3.955  -4.131   9.766
  485   2HA   GLY  72          3HA       GLY  72  -5.428  -4.905   9.218
  486    H    TYR  73           HN       TYR  73  -5.063  -1.329   9.080
  487    HA   TYR  73           HA       TYR  73  -5.049  -1.591   6.111
  488   1HB   TYR  73          2HB       TYR  73  -6.136   0.573   7.870
  489   2HB   TYR  73          3HB       TYR  73  -6.055   0.617   6.120
  490    HD1  TYR  73           HD1      TYR  73  -7.079  -1.305   4.759
  491    HD2  TYR  73           HD2      TYR  73  -8.084  -0.480   8.864
  492    HE1  TYR  73           HE1      TYR  73  -9.372  -2.066   4.352
  493    HE2  TYR  73           HE2      TYR  73 -10.388  -1.220   8.455
  494    HH   TYR  73           HOH      TYR  73 -11.956  -1.390   6.124
  495    H    VAL  74           HN       VAL  74  -4.166   0.138   4.853
  496    HA   VAL  74           HA       VAL  74  -1.827   1.479   5.843
  497    HB   VAL  74           HB       VAL  74  -1.779  -1.221   4.888
  498   1HG1  VAL  74          3HG1      VAL  74  -1.670  -0.440   2.576
  499   2HG1  VAL  74          1HG1      VAL  74  -0.192   0.483   2.956
  500   3HG1  VAL  74          2HG1      VAL  74  -0.206  -1.274   3.105
  501   1HG2  VAL  74          1HG2      VAL  74  -0.363  -0.228   6.672
  502   2HG2  VAL  74          2HG2      VAL  74   0.588  -1.112   5.468
  503   3HG2  VAL  74          3HG2      VAL  74   0.542   0.651   5.427
  504    H    LEU  75           HN       LEU  75  -0.741   2.624   3.946
  505    HA   LEU  75           HA       LEU  75  -2.794   3.662   2.059
  506   1HB   LEU  75          2HB       LEU  75  -1.975   4.911   3.985
  507   2HB   LEU  75          3HB       LEU  75  -0.361   4.970   3.284
  508    HG   LEU  75           HG       LEU  75  -2.512   5.890   1.436
  509   1HD1  LEU  75          1HD1      LEU  75  -2.267   7.108   4.188
  510   2HD1  LEU  75          2HD1      LEU  75  -2.619   8.136   2.804
  511   3HD1  LEU  75          3HD1      LEU  75  -3.690   6.773   3.188
  512   1HD2  LEU  75          2HD2      LEU  75   0.068   7.140   2.488
  513   2HD2  LEU  75          3HD2      LEU  75  -0.149   6.154   1.035
  514   3HD2  LEU  75          1HD2      LEU  75  -0.905   7.752   1.131
  515    H    THR  76           HN       THR  76  -2.453   2.811   0.011
  516    HA   THR  76           HA       THR  76   0.066   1.611  -0.712
  517    HB   THR  76           HB       THR  76  -1.477   1.093  -2.762
  518    HG1  THR  76           HG1      THR  76  -2.893   2.886  -2.324
  519   1HG2  THR  76          2HG2      THR  76  -2.204   0.328   0.104
  520   2HG2  THR  76          3HG2      THR  76  -2.916  -0.420  -1.327
  521   3HG2  THR  76          1HG2      THR  76  -1.168  -0.558  -1.035
  522    H    CYS  77           HN       CYS  77   0.688   4.244  -0.425
  523    HA   CYS  77           HA       CYS  77   1.042   5.309  -3.191
  524   1HB   CYS  77          2HB       CYS  77   0.159   7.344  -1.246
  525   2HB   CYS  77          3HB       CYS  77  -0.297   7.054  -2.913
  526    H    HIS  78           HN       HIS  78   1.465   6.096   0.231
  527    HA   HIS  78           HA       HIS  78   4.291   6.914  -0.212
  528   1HB   HIS  78          2HB       HIS  78   2.210   8.125   1.647
  529   2HB   HIS  78          3HB       HIS  78   3.945   8.454   1.711
  530    HD1  HIS  78           HND      HIS  78   1.772   8.428  -1.505
  531    HD2  HIS  78           HD       HIS  78   4.088  10.933   0.957
  532    HE1  HIS  78           HE       HIS  78   1.946  10.655  -2.706
  533    H    ALA  79           HN       ALA  79   4.271   4.413   0.100
  534    HA   ALA  79           HA       ALA  79   4.707   3.863   2.977
  535   1HB   ALA  79          2HB       ALA  79   3.011   2.133   1.125
  536   2HB   ALA  79          3HB       ALA  79   3.552   1.719   2.771
  537   3HB   ALA  79          1HB       ALA  79   2.437   3.070   2.524
  538    H    TYR  80           HN       TYR  80   6.512   2.749   3.300
  539    HA   TYR  80           HA       TYR  80   8.123   1.825   0.963
  540   1HB   TYR  80          2HB       TYR  80   8.795   2.707   3.790
  541   2HB   TYR  80          3HB       TYR  80   9.935   2.052   2.629
  542    HD1  TYR  80           HD1      TYR  80   9.927   3.281   0.244
  543    HD2  TYR  80           HD2      TYR  80   8.592   5.063   3.932
  544    HE1  TYR  80           HE1      TYR  80  10.241   5.552  -0.730
  545    HE2  TYR  80           HE2      TYR  80   9.000   7.310   3.002
  546    HH   TYR  80           HOH      TYR  80   9.569   8.515   1.133
  547    HA   PRO  81           HA       PRO  81   7.356  -2.210   2.791
  548   1HB   PRO  81          2HB       PRO  81   8.807  -3.670   0.897
  549   2HB   PRO  81          3HB       PRO  81   7.090  -3.195   0.790
  550   1HG   PRO  81          2HG       PRO  81   9.420  -2.061  -0.678
  551   2HG   PRO  81          3HG       PRO  81   7.661  -1.942  -1.005
  552   1HD   PRO  81          2HD       PRO  81   9.280   0.062   0.096
  553   2HD   PRO  81          3HD       PRO  81   7.518   0.054  -0.131
  554    H    THR  82           HN       THR  82   8.424  -2.700   4.672
  555    HA   THR  82           HA       THR  82  11.330  -2.290   4.810
  556    HB   THR  82           HB       THR  82  10.816  -2.796   7.258
  557    HG1  THR  82           HG1      THR  82   8.711  -3.843   6.694
  558   1HG2  THR  82          2HG2      THR  82  11.005  -0.486   6.338
  559   2HG2  THR  82          3HG2      THR  82   9.279  -0.512   5.934
  560   3HG2  THR  82          1HG2      THR  82   9.791  -0.593   7.627
  561    H    SER  83           HN       SER  83   9.134  -4.878   4.150
  562    HA   SER  83           HA       SER  83  11.257  -6.782   3.951
  563   1HB   SER  83          2HB       SER  83   8.985  -7.332   5.918
  564   2HB   SER  83          3HB       SER  83  10.284  -8.463   5.490
  565    HG   SER  83           HOG      SER  83  11.536  -6.333   6.280
  566    H    ASP  84           HN       ASP  84   9.945  -9.046   3.431
  567    HA   ASP  84           HA       ASP  84   8.178  -8.726   1.186
  568   1HB   ASP  84          2HB       ASP  84   7.753 -11.126   1.661
  569   2HB   ASP  84          3HB       ASP  84   9.457 -10.723   1.418
  570    H    VAL  85           HN       VAL  85   6.125  -8.074   1.355
  571    HA   VAL  85           HA       VAL  85   4.552  -8.493   3.806
  572    HB   VAL  85           HB       VAL  85   5.497  -6.261   3.997
  573   1HG1  VAL  85          3HG1      VAL  85   5.209  -6.081   1.207
  574   2HG1  VAL  85          1HG1      VAL  85   4.112  -4.860   1.859
  575   3HG1  VAL  85          2HG1      VAL  85   5.829  -4.856   2.311
  576   1HG2  VAL  85          3HG2      VAL  85   2.508  -6.319   3.486
  577   2HG2  VAL  85          1HG2      VAL  85   3.421  -6.314   5.023
  578   3HG2  VAL  85          2HG2      VAL  85   3.337  -4.886   4.051
  579    H    VAL  86           HN       VAL  86   2.400  -8.645   3.537
  580    HA   VAL  86           HA       VAL  86   1.418  -9.046   0.742
  581    HB   VAL  86           HB       VAL  86   0.581 -10.557   3.250
  582   1HG1  VAL  86          3HG1      VAL  86  -1.206 -10.264   1.515
  583   2HG1  VAL  86          1HG1      VAL  86  -0.158 -11.028   0.327
  584   3HG1  VAL  86          2HG1      VAL  86  -0.723 -11.954   1.725
  585   1HG2  VAL  86          1HG2      VAL  86   2.322 -11.438   0.891
  586   2HG2  VAL  86          2HG2      VAL  86   2.823 -11.332   2.590
  587   3HG2  VAL  86          3HG2      VAL  86   1.638 -12.548   2.097
  588    H    ILE  87           HN       ILE  87  -0.119  -7.527   0.313
  589    HA   ILE  87           HA       ILE  87  -1.911  -6.673   2.459
  590    HB   ILE  87           HB       ILE  87  -0.326  -5.032   2.618
  591   1HG1  ILE  87          2HG1      ILE  87  -2.674  -4.094   1.890
  592   2HG1  ILE  87          3HG1      ILE  87  -1.291  -3.017   2.047
  593   1HG2  ILE  87          1HG2      ILE  87   0.255  -5.084  -0.264
  594   2HG2  ILE  87          2HG2      ILE  87   0.837  -3.833   0.855
  595   3HG2  ILE  87          3HG2      ILE  87   1.314  -5.519   1.087
  596   1HD1  ILE  87           HD3      ILE  87  -1.841  -4.384  -0.575
  597   2HD1  ILE  87           HD1      ILE  87  -2.652  -2.884  -0.167
  598   3HD1  ILE  87           HD2      ILE  87  -0.889  -2.928  -0.242
  599    H    GLU  88           HN       GLU  88  -3.914  -5.855   1.658
  600    HA   GLU  88           HA       GLU  88  -4.618  -6.654  -1.156
  601   1HB   GLU  88          2HB       GLU  88  -6.427  -5.658   1.002
  602   2HB   GLU  88          3HB       GLU  88  -6.897  -6.519  -0.473
  603   1HG   GLU  88          2HG       GLU  88  -6.100  -8.597   0.482
  604   2HG   GLU  88          3HG       GLU  88  -5.377  -7.736   1.849
  605    H    THR  89           HN       THR  89  -4.637  -4.966  -2.660
  606    HA   THR  89           HA       THR  89  -4.482  -2.181  -1.786
  607    HB   THR  89           HB       THR  89  -4.700  -2.072  -4.518
  608    HG1  THR  89           HG1      THR  89  -5.011  -4.182  -5.030
  609   1HG2  THR  89          1HG2      THR  89  -2.372  -3.023  -2.856
  610   2HG2  THR  89          2HG2      THR  89  -2.271  -2.562  -4.572
  611   3HG2  THR  89          3HG2      THR  89  -2.755  -1.361  -3.366
  612    H    HIS  90           HN       HIS  90  -6.010  -0.653  -3.220
  613    HA   HIS  90           HA       HIS  90  -8.020   0.178  -3.720
  614   1HB   HIS  90          2HB       HIS  90  -9.235  -2.576  -3.937
  615   2HB   HIS  90          3HB       HIS  90  -9.514  -1.150  -4.942
  616    HD1  HIS  90           HND      HIS  90  -7.594  -0.898  -6.963
  617    HD2  HIS  90           HD       HIS  90  -7.364  -4.227  -4.418
  618    HE1  HIS  90           HE       HIS  90  -5.785  -2.476  -7.914
  619    H    LYS  91           HN       LYS  91  -7.613   0.252  -1.001
  620    HA   LYS  91           HA       LYS  91 -10.245  -0.558   0.221
  621   1HB   LYS  91          2HB       LYS  91  -7.537  -0.267   1.537
  622   2HB   LYS  91          3HB       LYS  91  -9.009  -0.854   2.292
  623   1HG   LYS  91          2HG       LYS  91  -7.637  -2.209  -0.070
  624   2HG   LYS  91          3HG       LYS  91  -7.514  -2.713   1.608
  625   1HD   LYS  91          2HD       LYS  91  -9.694  -3.271   1.811
  626   2HD   LYS  91          3HD       LYS  91 -10.197  -2.557   0.295
  627   1HE   LYS  91          2HE       LYS  91  -9.431  -4.136  -1.080
  628   2HE   LYS  91          3HE       LYS  91  -8.150  -4.658   0.014
  629   1HZ   LYS  91          3HNZ      LYS  91 -10.944  -5.077   0.762
  630   2HZ   LYS  91          1HNZ      LYS  91 -10.207  -6.129  -0.284
  631   3HZ   LYS  91          2HNZ      LYS  91  -9.575  -5.949   1.202
  632    H    GLU  92           HN       GLU  92  -9.303   2.106  -1.066
  633    HA   GLU  92           HA       GLU  92  -9.454   4.216   0.736
  634   1HB   GLU  92          2HB       GLU  92  -9.283   4.394  -1.720
  635   2HB   GLU  92          3HB       GLU  92 -10.933   3.848  -1.935
  636   1HG   GLU  92          2HG       GLU  92 -10.351   6.275  -0.214
  637   2HG   GLU  92          3HG       GLU  92 -10.374   6.389  -1.994
  638    H    GLU  93           HN       GLU  93 -12.351   2.891  -0.820
  639    HA   GLU  93           HA       GLU  93 -13.947   3.923   1.249
  640   1HB   GLU  93          2HB       GLU  93 -15.816   2.975  -0.139
  641   2HB   GLU  93          3HB       GLU  93 -14.634   3.869  -1.097
  642   1HG   GLU  93          2HG       GLU  93 -13.558   1.628  -1.722
  643   2HG   GLU  93          3HG       GLU  93 -14.912   0.842  -0.900
  644    H    GLU  94           HN       GLU  94 -11.997   1.587   1.995
  645    HA   GLU  94           HA       GLU  94 -13.999   0.042   3.563
  646   1HB   GLU  94          2HB       GLU  94 -11.254  -0.846   2.578
  647   2HB   GLU  94          3HB       GLU  94 -12.183  -1.603   3.864
  648   1HG   GLU  94          2HG       GLU  94 -14.076  -1.857   2.083
  649   2HG   GLU  94          3HG       GLU  94 -12.762  -1.642   0.921
  650    H    ILE  95           HN       ILE  95 -11.301   2.369   3.584
  651    HA   ILE  95           HA       ILE  95 -10.877   1.789   6.418
  652    HB   ILE  95           HB       ILE  95  -9.100   3.369   6.393
  653   1HG1  ILE  95          2HG1      ILE  95  -9.466   3.666   3.396
  654   2HG1  ILE  95          3HG1      ILE  95 -10.055   4.846   4.603
  655   1HG2  ILE  95          3HG2      ILE  95  -8.777   1.073   5.914
  656   2HG2  ILE  95          1HG2      ILE  95  -8.889   1.310   4.160
  657   3HG2  ILE  95          2HG2      ILE  95  -7.554   2.034   5.088
  658   1HD1  ILE  95           HD3      ILE  95  -7.158   4.104   4.499
  659   2HD1  ILE  95           HD1      ILE  95  -7.924   5.398   3.550
  660   3HD1  ILE  95           HD2      ILE  95  -7.967   5.437   5.337
  661    H    VAL  96           HN       VAL  96 -12.264   4.347   4.368
  662    HA   VAL  96           HA       VAL  96 -12.786   6.005   6.744
  663    HB   VAL  96           HB       VAL  96 -13.684   7.626   5.223
  664   1HG1  VAL  96          3HG1      VAL  96 -11.150   7.372   5.583
  665   2HG1  VAL  96          1HG1      VAL  96 -11.109   6.644   3.959
  666   3HG1  VAL  96          2HG1      VAL  96 -11.667   8.301   4.167
  667   1HG2  VAL  96          2HG2      VAL  96 -14.745   6.202   3.522
  668   2HG2  VAL  96          3HG2      VAL  96 -13.610   7.338   2.771
  669   3HG2  VAL  96          1HG2      VAL  96 -13.156   5.640   2.969
   
  No H/Q in entry =         668
  Start of MODEL   16
    1   1H    ALA   1          1HN       ALA   1  14.622  -3.777   0.847
    2   2H    ALA   1          2HN       ALA   1  15.933  -3.370   1.680
    3   2H    ALA   1          3HN       ALA   1  15.933  -3.370   1.680
    4    HA   ALA   1           HA       ALA   1  16.529  -3.406  -0.556
    5   1HB   ALA   1          1HB       ALA   1  17.464  -5.911   0.811
    6   2HB   ALA   1          2HB       ALA   1  18.212  -5.123  -0.613
    7   3HB   ALA   1          3HB       ALA   1  18.156  -4.267   0.960
    8    H    THR   2           HN       THR   2  14.519  -3.564  -1.613
    9    HA   THR   2           HA       THR   2  13.172  -4.360  -3.213
   10    HB   THR   2           HB       THR   2  15.594  -6.112  -3.847
   11    HG1  THR   2           HG1      THR   2  15.747  -3.643  -3.539
   12   1HG2  THR   2          1HG2      THR   2  13.377  -4.984  -5.617
   13   2HG2  THR   2          2HG2      THR   2  14.900  -5.661  -6.226
   14   3HG2  THR   2          3HG2      THR   2  13.777  -6.699  -5.340
   15    H    TYR   3           HN       TYR   3  11.659  -5.257  -1.750
   16    HA   TYR   3           HA       TYR   3  11.813  -8.194  -1.263
   17   1HB   TYR   3          2HB       TYR   3   9.971  -6.093  -0.102
   18   2HB   TYR   3          3HB       TYR   3  10.093  -7.781   0.402
   19    HD1  TYR   3           HD2      TYR   3  12.565  -8.604   1.036
   20    HD2  TYR   3           HD1      TYR   3  11.224  -4.510   1.113
   21    HE1  TYR   3           HE2      TYR   3  14.398  -8.034   2.589
   22    HE2  TYR   3           HE1      TYR   3  12.987  -3.972   2.759
   23    HH   TYR   3           HOH      TYR   3  15.292  -6.401   3.986
   24    H    ASN   4           HN       ASN   4   9.903  -9.487  -1.380
   25    HA   ASN   4           HA       ASN   4   8.397  -9.165  -3.858
   26   1HB   ASN   4          2HB       ASN   4   9.495 -11.269  -3.065
   27   2HB   ASN   4          3HB       ASN   4   8.406 -11.338  -1.705
   28   1HD2  ASN   4          2HND      ASN   4   5.560 -12.366  -3.561
   29   2HD2  ASN   4          1HND      ASN   4   6.083 -11.267  -2.281
   30    H    VAL   5           HN       VAL   5   7.051  -7.360  -3.317
   31    HA   VAL   5           HA       VAL   5   5.354  -7.512  -0.879
   32    HB   VAL   5           HB       VAL   5   5.479  -5.489  -3.144
   33   1HG1  VAL   5          2HG1      VAL   5   3.757  -5.606  -0.629
   34   2HG1  VAL   5          3HG1      VAL   5   4.134  -4.086  -1.445
   35   3HG1  VAL   5          1HG1      VAL   5   3.263  -5.365  -2.297
   36   1HG2  VAL   5          3HG2      VAL   5   6.603  -5.476  -0.307
   37   2HG2  VAL   5          1HG2      VAL   5   7.507  -5.400  -1.825
   38   3HG2  VAL   5          2HG2      VAL   5   6.477  -4.041  -1.343
   39    H    LYS   6           HN       LYS   6   3.421  -8.805  -0.976
   40    HA   LYS   6           HA       LYS   6   2.186  -9.005  -3.620
   41   1HB   LYS   6          2HB       LYS   6   2.395 -10.949  -2.041
   42   2HB   LYS   6          3HB       LYS   6   1.099 -10.177  -1.108
   43   1HG   LYS   6          2HG       LYS   6  -0.188  -9.955  -3.387
   44   2HG   LYS   6          3HG       LYS   6   1.089 -10.963  -4.071
   45   1HD   LYS   6          2HD       LYS   6  -1.048 -11.624  -2.072
   46   2HD   LYS   6          3HD       LYS   6  -0.662 -12.266  -3.689
   47   1HE   LYS   6          2HE       LYS   6   1.599 -13.040  -2.473
   48   2HE   LYS   6          3HE       LYS   6   0.661 -12.792  -1.026
   49   1HZ   LYS   6          2HNZ      LYS   6  -1.066 -14.179  -2.520
   50   2HZ   LYS   6          3HNZ      LYS   6   0.287 -14.562  -3.355
   51   3HZ   LYS   6          1HNZ      LYS   6   0.175 -15.030  -1.771
   52    H    LEU   7           HN       LEU   7   0.553  -7.953  -4.369
   53    HA   LEU   7           HA       LEU   7  -1.123  -6.246  -2.602
   54   1HB   LEU   7          2HB       LEU   7  -0.344  -6.109  -5.529
   55   2HB   LEU   7          3HB       LEU   7  -1.479  -5.007  -4.797
   56    HG   LEU   7           HG       LEU   7   1.510  -5.311  -4.374
   57   1HD1  LEU   7          2HD1      LEU   7  -0.248  -3.069  -5.430
   58   2HD1  LEU   7          3HD1      LEU   7   1.518  -2.966  -5.244
   59   3HD1  LEU   7          1HD1      LEU   7   0.801  -4.167  -6.342
   60   1HD2  LEU   7          3HD2      LEU   7  -0.422  -3.691  -2.698
   61   2HD2  LEU   7          1HD2      LEU   7   0.866  -4.821  -2.207
   62   3HD2  LEU   7          2HD2      LEU   7   1.287  -3.244  -2.873
   63    H    ILE   8           HN       ILE   8  -2.807  -7.530  -2.049
   64    HA   ILE   8           HA       ILE   8  -4.082  -9.297  -4.013
   65    HB   ILE   8           HB       ILE   8  -4.708  -8.484  -1.199
   66   1HG1  ILE   8          2HG1      ILE   8  -4.099 -11.258  -2.074
   67   2HG1  ILE   8          3HG1      ILE   8  -2.770 -10.114  -1.835
   68   1HG2  ILE   8          3HG2      ILE   8  -6.214 -10.381  -3.044
   69   2HG2  ILE   8          1HG2      ILE   8  -6.489 -10.239  -1.296
   70   3HG2  ILE   8          2HG2      ILE   8  -6.844  -8.871  -2.353
   71   1HD1  ILE   8           HD2      ILE   8  -4.844 -10.813   0.270
   72   2HD1  ILE   8           HD3      ILE   8  -3.174 -11.408   0.187
   73   3HD1  ILE   8           HD1      ILE   8  -3.479  -9.677   0.442
   74    H    THR   9           HN       THR   9  -4.505  -7.950  -5.738
   75    HA   THR   9           HA       THR   9  -6.120  -5.553  -5.393
   76    HB   THR   9           HB       THR   9  -5.916  -5.546  -7.861
   77    HG1  THR   9           HG1      THR   9  -5.607  -7.866  -8.140
   78   1HG2  THR   9          3HG2      THR   9  -3.263  -6.022  -6.404
   79   2HG2  THR   9          1HG2      THR   9  -3.446  -5.216  -7.966
   80   3HG2  THR   9          2HG2      THR   9  -4.124  -4.454  -6.512
   81    HA   PRO  10           HA       PRO  10 -10.087  -7.459  -5.899
   82   1HB   PRO  10          2HB       PRO  10 -10.568  -5.671  -8.252
   83   2HB   PRO  10          3HB       PRO  10 -11.568  -5.946  -6.784
   84   1HG   PRO  10          2HG       PRO  10 -10.119  -3.747  -7.060
   85   2HG   PRO  10          3HG       PRO  10 -10.196  -4.560  -5.478
   86   1HD   PRO  10          2HD       PRO  10  -7.992  -4.603  -7.414
   87   2HD   PRO  10          3HD       PRO  10  -7.957  -4.579  -5.669
   88    H    ASP  11           HN       ASP  11  -8.311  -6.860  -8.907
   89    HA   ASP  11           HA       ASP  11  -9.252  -8.564 -10.821
   90   1HB   ASP  11          2HB       ASP  11  -6.433  -7.740  -9.958
   91   2HB   ASP  11          3HB       ASP  11  -6.752  -8.595 -11.442
   92    H    GLY  12           HN       GLY  12  -7.270  -9.223  -8.020
   93   1HA   GLY  12          2HA       GLY  12  -7.488 -11.180  -6.902
   94   2HA   GLY  12          3HA       GLY  12  -7.463 -12.173  -8.387
   95    H    GLU  13           HN       GLU  13  -5.542  -9.782  -6.625
   96    HA   GLU  13           HA       GLU  13  -3.404  -9.597  -5.948
   97   1HB   GLU  13          2HB       GLU  13  -3.236 -12.479  -6.740
   98   2HB   GLU  13          3HB       GLU  13  -1.910 -11.592  -6.015
   99   1HG   GLU  13          2HG       GLU  13  -2.992 -11.312  -3.969
  100   2HG   GLU  13          3HG       GLU  13  -4.575 -11.817  -4.612
  101    H    VAL  14           HN       VAL  14  -1.219  -9.361  -6.644
  102    HA   VAL  14           HA       VAL  14  -0.697  -9.872  -9.509
  103    HB   VAL  14           HB       VAL  14  -1.550  -7.674  -9.485
  104   1HG1  VAL  14          3HG1      VAL  14  -1.189  -6.912  -7.291
  105   2HG1  VAL  14          1HG1      VAL  14   0.571  -6.715  -7.583
  106   3HG1  VAL  14          2HG1      VAL  14  -0.609  -5.745  -8.472
  107   1HG2  VAL  14          3HG2      VAL  14   0.435  -8.337 -10.965
  108   2HG2  VAL  14          1HG2      VAL  14   0.174  -6.603 -10.746
  109   3HG2  VAL  14          2HG2      VAL  14   1.459  -7.424  -9.830
  110    H    GLU  15           HN       GLU  15   0.881  -8.436  -6.687
  111    HA   GLU  15           HA       GLU  15   2.743  -8.949  -5.568
  112   1HB   GLU  15          2HB       GLU  15   1.871 -11.440  -6.232
  113   2HB   GLU  15          3HB       GLU  15   3.424 -11.435  -7.081
  114   1HG   GLU  15          2HG       GLU  15   4.690 -11.232  -5.191
  115   2HG   GLU  15          3HG       GLU  15   3.363 -10.718  -4.163
  116    H    PHE  16           HN       PHE  16   4.774  -8.145  -5.644
  117    HA   PHE  16           HA       PHE  16   6.245  -8.027  -8.161
  118   1HB   PHE  16          2HB       PHE  16   5.882  -5.944  -8.836
  119   2HB   PHE  16          3HB       PHE  16   4.268  -6.482  -8.494
  120    HD1  PHE  16           HD1      PHE  16   3.541  -5.935  -5.911
  121    HD2  PHE  16           HD2      PHE  16   6.803  -4.033  -7.980
  122    HE1  PHE  16           HE1      PHE  16   3.524  -4.098  -4.296
  123    HE2  PHE  16           HE2      PHE  16   6.724  -2.198  -6.416
  124    HZ   PHE  16           HZ       PHE  16   4.959  -2.061  -4.676
  125    H    LYS  17           HN       LYS  17   8.087  -6.366  -8.049
  126    HA   LYS  17           HA       LYS  17   9.326  -6.819  -5.393
  127   1HB   LYS  17          2HB       LYS  17  10.312  -7.106  -8.087
  128   2HB   LYS  17          3HB       LYS  17  11.246  -5.871  -7.259
  129   1HG   LYS  17          2HG       LYS  17  12.338  -7.976  -6.768
  130   2HG   LYS  17          3HG       LYS  17  11.575  -7.335  -5.314
  131   1HD   LYS  17          2HD       LYS  17  10.795  -9.443  -5.085
  132   2HD   LYS  17          3HD       LYS  17   9.512  -8.838  -6.117
  133   1HE   LYS  17          2HE       LYS  17  11.977 -10.397  -7.036
  134   2HE   LYS  17          3HE       LYS  17  10.337 -11.041  -6.888
  135   1HZ   LYS  17          3HNZ      LYS  17   9.635  -9.482  -8.589
  136   2HZ   LYS  17          1HNZ      LYS  17  11.156  -8.887  -8.728
  137   3HZ   LYS  17          2HNZ      LYS  17  10.845 -10.445  -9.154
  138    H    CYS  18           HN       CYS  18   9.538  -5.256  -4.033
  139    HA   CYS  18           HA       CYS  18   9.655  -2.429  -5.060
  140   1HB   CYS  18          2HB       CYS  18   7.405  -3.180  -4.166
  141   2HB   CYS  18          3HB       CYS  18   8.208  -3.235  -2.595
  142    HG   CYS  18           HSG      CYS  18   6.994  -0.908  -2.845
  143    H    ASP  19           HN       ASP  19  11.493  -1.437  -4.547
  144    HA   ASP  19           HA       ASP  19  13.309  -2.262  -2.584
  145   1HB   ASP  19          2HB       ASP  19  13.040   0.540  -3.683
  146   2HB   ASP  19          3HB       ASP  19  14.490  -0.274  -3.113
  147    H    ASP  20           HN       ASP  20  13.702  -1.532  -0.532
  148    HA   ASP  20           HA       ASP  20  11.628  -0.480   1.135
  149   1HB   ASP  20          2HB       ASP  20  13.693  -0.270   2.750
  150   2HB   ASP  20          3HB       ASP  20  13.086  -1.841   2.261
  151    H    ASP  21           HN       ASP  21  14.099   0.880  -0.854
  152    HA   ASP  21           HA       ASP  21  13.933   3.568   0.341
  153   1HB   ASP  21          2HB       ASP  21  15.465   2.430  -2.038
  154   2HB   ASP  21          3HB       ASP  21  15.523   4.118  -1.523
  155    H    VAL  22           HN       VAL  22  11.762   1.882  -1.620
  156    HA   VAL  22           HA       VAL  22  10.979   4.393  -2.987
  157    HB   VAL  22           HB       VAL  22  12.335   2.600  -4.405
  158   1HG1  VAL  22          2HG1      VAL  22  10.667   0.725  -3.824
  159   2HG1  VAL  22          3HG1      VAL  22   9.517   1.560  -4.878
  160   3HG1  VAL  22          1HG1      VAL  22  11.075   0.991  -5.516
  161   1HG2  VAL  22          1HG2      VAL  22   9.805   3.965  -5.332
  162   2HG2  VAL  22          2HG2      VAL  22  11.429   4.678  -5.274
  163   3HG2  VAL  22          3HG2      VAL  22  11.084   3.342  -6.395
  164    H    TYR  23           HN       TYR  23   8.726   4.454  -3.651
  165    HA   TYR  23           HA       TYR  23   7.211   3.463  -1.435
  166   1HB   TYR  23          2HB       TYR  23   6.300   5.000  -3.871
  167   2HB   TYR  23          3HB       TYR  23   5.382   4.758  -2.390
  168    HD1  TYR  23           HD1      TYR  23   7.063   5.338  -0.163
  169    HD2  TYR  23           HD2      TYR  23   7.006   7.249  -4.035
  170    HE1  TYR  23           HE1      TYR  23   7.489   7.527   0.888
  171    HE2  TYR  23           HE2      TYR  23   7.708   9.365  -2.997
  172    HH   TYR  23           HOH      TYR  23   7.629  10.516  -0.973
  173    H    VAL  24           HN       VAL  24   5.427   2.019  -1.462
  174    HA   VAL  24           HA       VAL  24   5.324   0.005  -3.543
  175    HB   VAL  24           HB       VAL  24   3.158   0.497  -1.484
  176   1HG1  VAL  24          2HG1      VAL  24   2.934  -1.316  -3.328
  177   2HG1  VAL  24          3HG1      VAL  24   4.343  -2.083  -2.555
  178   3HG1  VAL  24          1HG1      VAL  24   2.826  -1.903  -1.654
  179   1HG2  VAL  24          3HG2      VAL  24   5.839  -0.801  -1.020
  180   2HG2  VAL  24          1HG2      VAL  24   4.964   0.356   0.015
  181   3HG2  VAL  24          2HG2      VAL  24   4.407  -1.298  -0.095
  182    H    LEU  25           HN       LEU  25   5.160   1.828  -5.089
  183    HA   LEU  25           HA       LEU  25   2.617   1.743  -6.390
  184   1HB   LEU  25          2HB       LEU  25   1.953   3.481  -4.900
  185   2HB   LEU  25          3HB       LEU  25   3.458   4.382  -5.120
  186    HG   LEU  25           HG       LEU  25   1.419   5.288  -6.238
  187   1HD1  LEU  25          2HD1      LEU  25   3.787   5.819  -6.997
  188   2HD1  LEU  25          3HD1      LEU  25   3.529   4.690  -8.351
  189   3HD1  LEU  25          1HD1      LEU  25   2.522   6.078  -8.189
  190   1HD2  LEU  25          3HD2      LEU  25   0.401   3.169  -6.951
  191   2HD2  LEU  25          1HD2      LEU  25   0.573   4.311  -8.299
  192   3HD2  LEU  25          2HD2      LEU  25   1.667   2.934  -8.154
  193    H    ASP  26           HN       ASP  26   5.698   3.612  -6.018
  194    HA   ASP  26           HA       ASP  26   6.025   4.308  -8.709
  195   1HB   ASP  26          2HB       ASP  26   7.899   3.838  -6.391
  196   2HB   ASP  26          3HB       ASP  26   8.565   4.178  -7.996
  197    H    GLN  27           HN       GLN  27   7.688   1.574  -7.096
  198    HA   GLN  27           HA       GLN  27   8.572   0.332  -9.523
  199   1HB   GLN  27          2HB       GLN  27   8.194  -0.541  -6.665
  200   2HB   GLN  27          3HB       GLN  27   8.463  -1.784  -7.902
  201   1HG   GLN  27          2HG       GLN  27  10.340   0.579  -7.671
  202   2HG   GLN  27          3HG       GLN  27  10.459  -0.848  -6.618
  203   1HE2  GLN  27          2HNE      GLN  27  12.660  -2.210  -8.984
  204   2HE2  GLN  27          1HNE      GLN  27  12.475  -1.504  -7.370
  205    H    ALA  28           HN       ALA  28   5.498   0.294  -7.806
  206    HA   ALA  28           HA       ALA  28   4.390  -2.040  -9.018
  207   1HB   ALA  28          1HB       ALA  28   3.589  -0.312  -7.050
  208   2HB   ALA  28          2HB       ALA  28   2.515   0.152  -8.405
  209   3HB   ALA  28          3HB       ALA  28   2.574  -1.521  -7.805
  210    H    GLU  29           HN       GLU  29   3.990   1.452  -9.898
  211    HA   GLU  29           HA       GLU  29   2.621   1.035 -12.280
  212   1HB   GLU  29          2HB       GLU  29   4.428   3.348 -11.495
  213   2HB   GLU  29          3HB       GLU  29   3.542   3.259 -13.020
  214   1HG   GLU  29          2HG       GLU  29   1.394   3.027 -11.743
  215   2HG   GLU  29          3HG       GLU  29   2.296   3.307 -10.263
  216    H    GLU  30           HN       GLU  30   6.185   1.094 -11.624
  217    HA   GLU  30           HA       GLU  30   7.073   0.597 -14.253
  218   1HB   GLU  30          2HB       GLU  30   8.328  -0.386 -11.690
  219   2HB   GLU  30          3HB       GLU  30   9.069  -0.444 -13.273
  220   1HG   GLU  30          2HG       GLU  30   8.115   2.204 -12.120
  221   2HG   GLU  30          3HG       GLU  30   9.704   1.522 -11.760
  222    H    GLU  31           HN       GLU  31   5.874  -1.851 -11.928
  223    HA   GLU  31           HA       GLU  31   6.456  -3.978 -13.866
  224   1HB   GLU  31          2HB       GLU  31   4.660  -4.143 -11.438
  225   2HB   GLU  31          3HB       GLU  31   5.462  -5.467 -12.298
  226   1HG   GLU  31          2HG       GLU  31   7.434  -3.479 -11.556
  227   2HG   GLU  31          3HG       GLU  31   6.424  -3.750 -10.194
  228    H    GLY  32           HN       GLY  32   3.893  -1.814 -13.186
  229   1HA   GLY  32          2HA       GLY  32   2.407  -1.273 -15.074
  230   2HA   GLY  32          3HA       GLY  32   2.127  -3.001 -15.322
  231    H    ILE  33           HN       ILE  33   2.359  -2.125 -11.989
  232    HA   ILE  33           HA       ILE  33  -0.405  -2.860 -11.563
  233    HB   ILE  33           HB       ILE  33   1.718  -1.794  -9.725
  234   1HG1  ILE  33          2HG1      ILE  33   0.622  -4.554 -10.151
  235   2HG1  ILE  33          3HG1      ILE  33   2.126  -4.005 -10.917
  236   1HG2  ILE  33          2HG2      ILE  33  -1.008  -3.044  -9.108
  237   2HG2  ILE  33          3HG2      ILE  33   0.237  -2.723  -7.894
  238   3HG2  ILE  33          1HG2      ILE  33  -0.512  -1.384  -8.719
  239   1HD1  ILE  33           HD3      ILE  33   2.151  -3.782  -7.964
  240   2HD1  ILE  33           HD1      ILE  33   2.277  -5.390  -8.699
  241   3HD1  ILE  33           HD2      ILE  33   3.419  -4.109  -9.136
  242    H    ASP  34           HN       ASP  34  -2.000  -1.544 -11.993
  243    HA   ASP  34           HA       ASP  34  -1.795   1.396 -11.609
  244   1HB   ASP  34          2HB       ASP  34  -2.891   0.298 -13.644
  245   2HB   ASP  34          3HB       ASP  34  -4.183  -0.209 -12.537
  246    H    ILE  35           HN       ILE  35  -1.445   0.957  -9.182
  247    HA   ILE  35           HA       ILE  35  -3.637  -0.053  -7.698
  248    HB   ILE  35           HB       ILE  35  -1.084   0.889  -7.136
  249   1HG1  ILE  35          2HG1      ILE  35  -2.754  -0.098  -4.914
  250   2HG1  ILE  35          3HG1      ILE  35  -2.158  -1.096  -6.258
  251   1HG2  ILE  35          3HG2      ILE  35  -1.989   3.166  -6.648
  252   2HG2  ILE  35          1HG2      ILE  35  -2.846   2.490  -5.263
  253   3HG2  ILE  35          2HG2      ILE  35  -1.093   2.436  -5.338
  254   1HD1  ILE  35           HD1      ILE  35  -0.339   0.593  -4.471
  255   2HD1  ILE  35           HD2      ILE  35  -0.653  -1.119  -4.247
  256   3HD1  ILE  35           HD3      ILE  35   0.151  -0.553  -5.721
  257    HA   PRO  36           HA       PRO  36  -6.504   3.222  -8.000
  258   1HB   PRO  36          2HB       PRO  36  -7.927   3.144  -5.655
  259   2HB   PRO  36          3HB       PRO  36  -7.887   1.814  -6.840
  260   1HG   PRO  36          2HG       PRO  36  -6.321   1.979  -4.259
  261   2HG   PRO  36          3HG       PRO  36  -7.196   0.637  -4.969
  262   1HD   PRO  36          2HD       PRO  36  -4.485   1.114  -5.177
  263   2HD   PRO  36          3HD       PRO  36  -5.322   0.118  -6.346
  264    H    TYR  37           HN       TYR  37  -4.299   4.573  -7.889
  265    HA   TYR  37           HA       TYR  37  -4.157   6.372  -5.559
  266   1HB   TYR  37          2HB       TYR  37  -2.353   7.428  -6.751
  267   2HB   TYR  37          3HB       TYR  37  -2.084   5.692  -6.555
  268    HD1  TYR  37           HD1      TYR  37  -2.697   8.416  -9.042
  269    HD2  TYR  37           HD2      TYR  37  -1.791   4.254  -8.487
  270    HE1  TYR  37           HE1      TYR  37  -2.936   8.015 -11.498
  271    HE2  TYR  37           HE2      TYR  37  -1.968   3.869 -10.898
  272    HH   TYR  37           HOH      TYR  37  -3.098   4.624 -12.726
  273    H    SER  38           HN       SER  38  -4.347   8.656  -5.739
  274    HA   SER  38           HA       SER  38  -5.074   9.771  -8.334
  275   1HB   SER  38          2HB       SER  38  -7.214   9.236  -6.723
  276   2HB   SER  38          3HB       SER  38  -6.815  10.866  -6.164
  277    HG   SER  38           HOG      SER  38  -7.302   9.976  -8.829
  278    H    CYS  39           HN       CYS  39  -2.974   9.878  -5.863
  279    HA   CYS  39           HA       CYS  39  -2.245  12.604  -6.520
  280   1HB   CYS  39          2HB       CYS  39  -2.741  13.665  -4.750
  281   2HB   CYS  39          3HB       CYS  39  -3.856  12.384  -4.344
  282    H    ARG  40           HN       ARG  40  -1.235  10.312  -3.984
  283    HA   ARG  40           HA       ARG  40   0.735   9.441  -3.394
  284   1HB   ARG  40          2HB       ARG  40   1.828  10.194  -6.154
  285   2HB   ARG  40          3HB       ARG  40   2.740   9.470  -4.843
  286   1HG   ARG  40          2HG       ARG  40   2.210   7.610  -6.007
  287   2HG   ARG  40          3HG       ARG  40   0.947   7.639  -4.786
  288   1HD   ARG  40          2HD       ARG  40  -0.231   7.119  -6.585
  289   2HD   ARG  40          3HD       ARG  40  -0.496   8.859  -6.666
  290    HE   ARG  40           HNE      ARG  40   0.980   7.019  -8.443
  291   1HH1  ARG  40          2HN2      ARG  40   0.367  10.497  -7.868
  292   2HH1  ARG  40          1HN2      ARG  40   0.507  10.873  -9.551
  293   1HH2  ARG  40          2HN1      ARG  40   1.373   7.481 -10.503
  294   2HH2  ARG  40          1HN1      ARG  40   1.182   9.109 -11.113
  295    H    ALA  41           HN       ALA  41   0.202  11.266  -1.942
  296    HA   ALA  41           HA       ALA  41   2.566  12.274  -0.897
  297   1HB   ALA  41          1HB       ALA  41   1.020  14.399  -2.443
  298   2HB   ALA  41          2HB       ALA  41   2.235  14.747  -1.195
  299   3HB   ALA  41          3HB       ALA  41   2.724  13.942  -2.677
  300    H    GLY  42           HN       GLY  42   1.126  11.075   0.825
  301   1HA   GLY  42          2HA       GLY  42  -0.275  11.058   2.483
  302   2HA   GLY  42          3HA       GLY  42   0.416  12.631   2.800
  303    H    SER  43           HN       SER  43  -0.951  14.511   2.224
  304    HA   SER  43           HA       SER  43  -3.378  13.885   3.573
  305   1HB   SER  43          2HB       SER  43  -2.046  15.809   4.157
  306   2HB   SER  43          3HB       SER  43  -2.278  16.517   2.541
  307    HG   SER  43           HOG      SER  43  -4.501  16.616   2.992
  308    H    CYS  44           HN       CYS  44  -4.316  12.547   1.703
  309    HA   CYS  44           HA       CYS  44  -6.154  14.192   0.006
  310   1HB   CYS  44          2HB       CYS  44  -5.567  12.693  -1.765
  311   2HB   CYS  44          3HB       CYS  44  -4.070  13.170  -0.971
  312    H    SER  45           HN       SER  45  -7.139  11.664  -1.120
  313    HA   SER  45           HA       SER  45  -8.178   9.982   0.909
  314   1HB   SER  45          2HB       SER  45  -9.712  12.094   1.014
  315   2HB   SER  45          3HB       SER  45 -10.374  11.529  -0.523
  316    HG   SER  45           HOG      SER  45 -10.217  10.022   1.896
  317    H    SER  46           HN       SER  46  -6.640   9.009  -0.921
  318    HA   SER  46           HA       SER  46  -8.414   7.383  -2.579
  319   1HB   SER  46          2HB       SER  46  -6.316   9.132  -3.925
  320   2HB   SER  46          3HB       SER  46  -7.232   7.815  -4.684
  321    HG   SER  46           HOG      SER  46  -9.024   9.378  -3.607
  322    H    CYS  47           HN       CYS  47  -7.265   6.183  -0.663
  323    HA   CYS  47           HA       CYS  47  -4.669   5.049  -1.623
  324   1HB   CYS  47          2HB       CYS  47  -5.092   5.902   1.228
  325   2HB   CYS  47          3HB       CYS  47  -3.578   5.542   0.381
  326    H    ALA  48           HN       ALA  48  -4.355   3.866   0.975
  327    HA   ALA  48           HA       ALA  48  -4.996   2.471   2.516
  328   1HB   ALA  48          3HB       ALA  48  -6.981   3.843   2.617
  329   2HB   ALA  48          1HB       ALA  48  -7.801   2.749   1.492
  330   3HB   ALA  48          2HB       ALA  48  -7.300   2.148   3.075
  331    H    GLY  49           HN       GLY  49  -4.557   0.444   2.740
  332   1HA   GLY  49          2HA       GLY  49  -5.874  -1.605   1.155
  333   2HA   GLY  49          3HA       GLY  49  -4.095  -1.550   1.166
  334    H    LYS  50           HN       LYS  50  -5.624  -3.736   2.250
  335    HA   LYS  50           HA       LYS  50  -5.468  -3.442   5.159
  336   1HB   LYS  50          2HB       LYS  50  -7.324  -4.531   3.691
  337   2HB   LYS  50          3HB       LYS  50  -6.274  -5.935   3.617
  338   1HG   LYS  50          2HG       LYS  50  -6.566  -6.505   5.827
  339   2HG   LYS  50          3HG       LYS  50  -6.658  -4.821   6.347
  340   1HD   LYS  50          2HD       LYS  50  -8.898  -4.765   5.019
  341   2HD   LYS  50          3HD       LYS  50  -8.865  -6.525   5.216
  342   1HE   LYS  50          2HE       LYS  50  -8.624  -6.244   7.690
  343   2HE   LYS  50          3HE       LYS  50  -8.540  -4.499   7.518
  344   1HZ   LYS  50          1HNZ      LYS  50 -10.928  -6.030   6.747
  345   2HZ   LYS  50          2HNZ      LYS  50 -10.728  -5.223   8.171
  346   3HZ   LYS  50          3HNZ      LYS  50 -10.752  -4.385   6.768
  347    H    VAL  51           HN       VAL  51  -3.544  -3.877   6.102
  348    HA   VAL  51           HA       VAL  51  -1.359  -5.343   4.888
  349    HB   VAL  51           HB       VAL  51  -1.935  -4.584   7.819
  350   1HG1  VAL  51          3HG1      VAL  51   0.701  -5.348   6.493
  351   2HG1  VAL  51          1HG1      VAL  51   0.494  -4.784   8.167
  352   3HG1  VAL  51          2HG1      VAL  51  -0.202  -6.331   7.670
  353   1HG2  VAL  51          1HG2      VAL  51  -1.824  -2.573   6.378
  354   2HG2  VAL  51          2HG2      VAL  51  -0.478  -2.613   7.507
  355   3HG2  VAL  51          3HG2      VAL  51  -0.214  -3.091   5.817
  356    H    VAL  52           HN       VAL  52  -1.539  -7.488   4.499
  357    HA   VAL  52           HA       VAL  52  -3.292  -9.172   6.199
  358    HB   VAL  52           HB       VAL  52  -1.608  -9.743   3.759
  359   1HG1  VAL  52          2HG1      VAL  52  -3.629 -11.520   5.202
  360   2HG1  VAL  52          3HG1      VAL  52  -2.898 -11.881   3.624
  361   3HG1  VAL  52          1HG1      VAL  52  -1.880 -11.822   5.066
  362   1HG2  VAL  52          3HG2      VAL  52  -4.584  -9.252   4.137
  363   2HG2  VAL  52          1HG2      VAL  52  -3.428  -8.327   3.151
  364   3HG2  VAL  52          2HG2      VAL  52  -3.890  -9.964   2.673
  365    H    SER  53           HN       SER  53   0.199  -8.692   5.446
  366    HA   SER  53           HA       SER  53   0.912  -9.792   8.032
  367   1HB   SER  53          2HB       SER  53   0.591 -11.881   6.581
  368   2HB   SER  53          3HB       SER  53   1.933 -11.294   5.581
  369    HG   SER  53           HOG      SER  53   1.946 -12.059   8.315
  370    H    GLY  54           HN       GLY  54   3.577 -10.252   7.570
  371   1HA   GLY  54          2HA       GLY  54   5.580  -9.072   7.565
  372   2HA   GLY  54          3HA       GLY  54   5.015  -8.352   6.063
  373    H    SER  55           HN       SER  55   6.054  -6.304   6.661
  374    HA   SER  55           HA       SER  55   4.160  -4.548   7.910
  375   1HB   SER  55          2HB       SER  55   7.015  -4.577   8.976
  376   2HB   SER  55          3HB       SER  55   5.676  -3.559   9.490
  377    HG   SER  55           HOG      SER  55   4.743  -5.926   9.862
  378    H    ILE  56           HN       ILE  56   4.700  -2.318   7.302
  379    HA   ILE  56           HA       ILE  56   7.006  -1.775   5.649
  380    HB   ILE  56           HB       ILE  56   5.685  -0.733   3.928
  381   1HG1  ILE  56          2HG1      ILE  56   3.191  -1.766   5.289
  382   2HG1  ILE  56          3HG1      ILE  56   3.700  -0.083   5.153
  383   1HG2  ILE  56          3HG2      ILE  56   6.202  -3.312   3.876
  384   2HG2  ILE  56          1HG2      ILE  56   4.487  -3.477   4.194
  385   3HG2  ILE  56          2HG2      ILE  56   5.039  -2.647   2.717
  386   1HD1  ILE  56           HD3      ILE  56   3.768  -0.571   2.549
  387   2HD1  ILE  56           HD1      ILE  56   2.757  -1.970   2.961
  388   3HD1  ILE  56           HD2      ILE  56   2.191  -0.331   3.293
  389    H    ASP  57           HN       ASP  57   7.019   0.731   5.392
  390    HA   ASP  57           HA       ASP  57   5.973   1.989   7.902
  391   1HB   ASP  57          2HB       ASP  57   8.387   1.907   7.964
  392   2HB   ASP  57          3HB       ASP  57   8.519   2.492   6.302
  393    H    GLN  58           HN       GLN  58   4.288   3.220   7.394
  394    HA   GLN  58           HA       GLN  58   4.267   4.754   4.818
  395   1HB   GLN  58          2HB       GLN  58   1.831   4.981   5.366
  396   2HB   GLN  58          3HB       GLN  58   2.385   3.357   4.919
  397   1HG   GLN  58          2HG       GLN  58   2.296   2.634   7.189
  398   2HG   GLN  58          3HG       GLN  58   2.192   4.283   7.803
  399   1HE2  GLN  58          2HNE      GLN  58  -1.116   2.604   8.004
  400   2HE2  GLN  58          1HNE      GLN  58   0.509   2.250   8.551
  401    H    SER  59           HN       SER  59   6.073   5.686   6.755
  402    HA   SER  59           HA       SER  59   4.916   7.479   8.573
  403   1HB   SER  59          2HB       SER  59   7.247   6.665   8.686
  404   2HB   SER  59          3HB       SER  59   7.656   7.639   7.264
  405    HG   SER  59           HOG      SER  59   6.703   9.433   8.669
  406    H    ASP  60           HN       ASP  60   4.885   7.896   5.178
  407    HA   ASP  60           HA       ASP  60   4.833  10.789   5.002
  408   1HB   ASP  60          2HB       ASP  60   5.025   9.529   2.990
  409   2HB   ASP  60          3HB       ASP  60   3.644   8.494   3.385
  410    H    GLN  61           HN       GLN  61   2.266   8.394   5.039
  411    HA   GLN  61           HA       GLN  61   0.413   8.083   6.069
  412   1HB   GLN  61          2HB       GLN  61   1.889   8.836   8.074
  413   2HB   GLN  61          3HB       GLN  61   0.909  10.308   8.063
  414   1HG   GLN  61          2HG       GLN  61  -0.003   8.721   9.661
  415   2HG   GLN  61          3HG       GLN  61  -1.147   8.868   8.323
  416   1HE2  GLN  61          2HNE      GLN  61  -0.913   5.419   7.470
  417   2HE2  GLN  61          1HNE      GLN  61  -1.805   6.913   7.359
  418    H    SER  62           HN       SER  62  -1.371   8.417   4.913
  419    HA   SER  62           HA       SER  62  -1.912  11.076   3.963
  420   1HB   SER  62          2HB       SER  62  -3.656   9.846   2.585
  421   2HB   SER  62          3HB       SER  62  -2.029   9.216   2.389
  422    HG   SER  62           HOG      SER  62  -3.584   7.592   2.703
  423    H    PHE  63           HN       PHE  63  -4.375   8.815   4.982
  424    HA   PHE  63           HA       PHE  63  -5.295  10.738   7.084
  425   1HB   PHE  63          2HB       PHE  63  -7.518  10.849   6.200
  426   2HB   PHE  63          3HB       PHE  63  -6.398  11.387   4.956
  427    HD1  PHE  63           HD1      PHE  63  -5.890   9.887   2.987
  428    HD2  PHE  63           HD2      PHE  63  -8.830   8.817   5.956
  429    HE1  PHE  63           HE1      PHE  63  -6.436   7.823   1.738
  430    HE2  PHE  63           HE2      PHE  63  -9.479   6.876   4.609
  431    HZ   PHE  63           HZ       PHE  63  -8.387   6.449   2.393
  432    H    LEU  64           HN       LEU  64  -4.340   7.646   6.662
  433    HA   LEU  64           HA       LEU  64  -6.573   6.285   7.853
  434   1HB   LEU  64          2HB       LEU  64  -3.652   5.551   7.698
  435   2HB   LEU  64          3HB       LEU  64  -4.821   4.602   8.592
  436    HG   LEU  64           HG       LEU  64  -6.188   4.457   6.448
  437   1HD1  LEU  64          3HD1      LEU  64  -3.551   5.462   5.282
  438   2HD1  LEU  64          1HD1      LEU  64  -4.780   4.597   4.335
  439   3HD1  LEU  64          2HD1      LEU  64  -5.165   6.171   5.035
  440   1HD2  LEU  64          3HD2      LEU  64  -3.437   3.188   6.663
  441   2HD2  LEU  64          1HD2      LEU  64  -4.947   2.664   7.457
  442   3HD2  LEU  64          2HD2      LEU  64  -4.793   2.565   5.686
  443    H    ASP  65           HN       ASP  65  -6.932   5.842   9.999
  444    HA   ASP  65           HA       ASP  65  -5.525   7.558  12.008
  445   1HB   ASP  65          2HB       ASP  65  -8.161   6.071  12.074
  446   2HB   ASP  65          3HB       ASP  65  -7.416   6.775  13.511
  447    H    ASP  66           HN       ASP  66  -5.246   6.513  14.161
  448    HA   ASP  66           HA       ASP  66  -3.302   4.437  14.010
  449   1HB   ASP  66          2HB       ASP  66  -4.946   5.520  16.347
  450   2HB   ASP  66          3HB       ASP  66  -3.646   4.333  16.510
  451    H    GLU  67           HN       GLU  67  -6.764   4.468  14.797
  452    HA   GLU  67           HA       GLU  67  -7.125   1.837  15.584
  453   1HB   GLU  67          2HB       GLU  67  -9.244   3.055  13.797
  454   2HB   GLU  67          3HB       GLU  67  -9.368   2.238  15.350
  455   1HG   GLU  67          2HG       GLU  67  -8.274   4.369  16.318
  456   2HG   GLU  67          3HG       GLU  67  -8.669   5.105  14.746
  457    H    GLN  68           HN       GLN  68  -7.625   3.155  12.264
  458    HA   GLN  68           HA       GLN  68  -7.980   0.743  10.939
  459   1HB   GLN  68          2HB       GLN  68  -6.766   3.358  10.010
  460   2HB   GLN  68          3HB       GLN  68  -7.313   2.074   8.924
  461   1HG   GLN  68          2HG       GLN  68  -9.572   2.209   9.634
  462   2HG   GLN  68          3HG       GLN  68  -9.186   3.273  10.990
  463   1HE2  GLN  68          2HNE      GLN  68 -10.544   5.277   8.173
  464   2HE2  GLN  68          1HNE      GLN  68 -11.103   3.797   8.923
  465    H    MET  69           HN       MET  69  -4.838   2.569  11.373
  466    HA   MET  69           HA       MET  69  -3.228   0.674  10.118
  467   1HB   MET  69          2HB       MET  69  -2.598   2.429  12.522
  468   2HB   MET  69          3HB       MET  69  -1.425   1.516  11.565
  469   1HG   MET  69          2HG       MET  69  -2.347   2.711   9.496
  470   2HG   MET  69          3HG       MET  69  -3.233   3.713  10.563
  471   1HE   MET  69           HE3      MET  69  -2.233   5.519  12.115
  472   2HE   MET  69           HE1      MET  69  -0.972   6.494  11.316
  473   3HE   MET  69           HE2      MET  69  -2.424   6.003  10.404
  474    H    ASP  70           HN       ASP  70  -3.978   0.736  13.614
  475    HA   ASP  70           HA       ASP  70  -2.590  -1.627  14.340
  476   1HB   ASP  70          2HB       ASP  70  -3.504   0.097  15.927
  477   2HB   ASP  70          3HB       ASP  70  -5.137  -0.450  15.547
  478    H    ALA  71           HN       ALA  71  -5.868  -1.046  13.264
  479    HA   ALA  71           HA       ALA  71  -6.972  -3.650  13.578
  480   1HB   ALA  71          3HB       ALA  71  -7.708  -1.356  11.727
  481   2HB   ALA  71          1HB       ALA  71  -8.742  -2.768  12.046
  482   3HB   ALA  71          2HB       ALA  71  -8.340  -1.636  13.357
  483    H    GLY  72           HN       GLY  72  -4.858  -2.314  11.090
  484   1HA   GLY  72          2HA       GLY  72  -3.512  -4.031  10.055
  485   2HA   GLY  72          3HA       GLY  72  -4.961  -4.942   9.665
  486    H    TYR  73           HN       TYR  73  -4.690  -1.351   9.341
  487    HA   TYR  73           HA       TYR  73  -4.767  -1.741   6.379
  488   1HB   TYR  73          2HB       TYR  73  -5.951   0.424   8.080
  489   2HB   TYR  73          3HB       TYR  73  -5.879   0.437   6.323
  490    HD1  TYR  73           HD2      TYR  73  -6.918  -1.424   4.981
  491    HD2  TYR  73           HD1      TYR  73  -7.757  -0.843   9.166
  492    HE1  TYR  73           HE2      TYR  73  -9.116  -2.443   4.677
  493    HE2  TYR  73           HE1      TYR  73  -9.984  -1.821   8.856
  494    HH   TYR  73           HOH      TYR  73 -11.655  -2.000   6.394
  495    H    VAL  74           HN       VAL  74  -3.770  -0.075   5.035
  496    HA   VAL  74           HA       VAL  74  -1.744   1.674   6.186
  497    HB   VAL  74           HB       VAL  74  -0.810  -0.677   6.133
  498   1HG1  VAL  74          1HG1      VAL  74  -1.828  -1.428   3.982
  499   2HG1  VAL  74          2HG1      VAL  74  -0.758  -0.310   3.107
  500   3HG1  VAL  74          3HG1      VAL  74  -0.069  -1.647   4.026
  501   1HG2  VAL  74          1HG2      VAL  74   0.664   1.427   4.576
  502   2HG2  VAL  74          2HG2      VAL  74   0.675   1.075   6.327
  503   3HG2  VAL  74          3HG2      VAL  74   1.337  -0.096   5.243
  504    H    LEU  75           HN       LEU  75  -1.126   3.317   4.608
  505    HA   LEU  75           HA       LEU  75  -2.830   3.463   2.249
  506   1HB   LEU  75          2HB       LEU  75  -1.685   5.519   1.732
  507   2HB   LEU  75          3HB       LEU  75  -2.175   5.440   3.415
  508    HG   LEU  75           HG       LEU  75   0.338   4.526   3.752
  509   1HD1  LEU  75          3HD1      LEU  75   0.453   6.233   1.252
  510   2HD1  LEU  75          1HD1      LEU  75   1.845   5.884   2.296
  511   3HD1  LEU  75          2HD1      LEU  75   1.060   4.557   1.433
  512   1HD2  LEU  75          1HD2      LEU  75  -0.424   7.438   3.292
  513   2HD2  LEU  75          2HD2      LEU  75  -0.655   6.509   4.802
  514   3HD2  LEU  75          3HD2      LEU  75   0.984   6.868   4.211
  515    H    THR  76           HN       THR  76  -1.754   3.843  -0.017
  516    HA   THR  76           HA       THR  76   0.348   1.775  -0.492
  517    HB   THR  76           HB       THR  76  -1.123   0.872  -2.321
  518    HG1  THR  76           HG1      THR  76  -3.120   2.334  -0.919
  519   1HG2  THR  76          2HG2      THR  76  -0.849  -0.310  -0.162
  520   2HG2  THR  76          3HG2      THR  76  -2.264   0.548   0.487
  521   3HG2  THR  76          1HG2      THR  76  -2.452  -0.550  -0.891
  522    H    CYS  77           HN       CYS  77   0.702   4.487  -0.467
  523    HA   CYS  77           HA       CYS  77   0.959   5.287  -3.343
  524   1HB   CYS  77          2HB       CYS  77   0.017   6.833  -0.922
  525   2HB   CYS  77          3HB       CYS  77   0.304   7.506  -2.524
  526    H    HIS  78           HN       HIS  78   1.872   6.236  -0.034
  527    HA   HIS  78           HA       HIS  78   4.720   6.463  -0.826
  528   1HB   HIS  78          2HB       HIS  78   3.007   8.366   0.770
  529   2HB   HIS  78          3HB       HIS  78   4.760   8.286   1.007
  530    HD1  HIS  78           HND      HIS  78   3.924   7.900  -2.605
  531    HD2  HIS  78           HD       HIS  78   4.983  10.811   0.245
  532    HE1  HIS  78           HE       HIS  78   4.865   9.903  -3.896
  533    H    ALA  79           HN       ALA  79   4.146   4.092  -0.077
  534    HA   ALA  79           HA       ALA  79   4.841   3.890   2.829
  535   1HB   ALA  79          2HB       ALA  79   2.594   2.959   2.380
  536   2HB   ALA  79          3HB       ALA  79   3.286   1.895   1.136
  537   3HB   ALA  79          1HB       ALA  79   3.768   1.719   2.841
  538    H    TYR  80           HN       TYR  80   6.663   2.757   3.263
  539    HA   TYR  80           HA       TYR  80   8.384   1.867   0.981
  540   1HB   TYR  80          2HB       TYR  80   8.931   2.774   3.842
  541   2HB   TYR  80          3HB       TYR  80  10.152   2.103   2.777
  542    HD1  TYR  80           HD2      TYR  80  10.304   3.240   0.369
  543    HD2  TYR  80           HD1      TYR  80   8.785   5.140   3.925
  544    HE1  TYR  80           HE2      TYR  80  10.838   5.461  -0.590
  545    HE2  TYR  80           HE1      TYR  80   9.412   7.348   3.008
  546    HH   TYR  80           HOH      TYR  80  10.170   8.501   1.140
  547    HA   PRO  81           HA       PRO  81   7.435  -2.101   2.727
  548   1HB   PRO  81          2HB       PRO  81   8.836  -3.650   0.838
  549   2HB   PRO  81          3HB       PRO  81   7.143  -3.089   0.736
  550   1HG   PRO  81          2HG       PRO  81   9.534  -2.071  -0.719
  551   2HG   PRO  81          3HG       PRO  81   7.800  -1.851  -1.047
  552   1HD   PRO  81          2HD       PRO  81   9.505   0.066   0.067
  553   2HD   PRO  81          3HD       PRO  81   7.742   0.135  -0.134
  554    H    THR  82           HN       THR  82   8.439  -2.804   4.607
  555    HA   THR  82           HA       THR  82  11.372  -2.573   4.767
  556    HB   THR  82           HB       THR  82  10.881  -2.999   7.206
  557    HG1  THR  82           HG1      THR  82   8.574  -3.823   6.520
  558   1HG2  THR  82          3HG2      THR  82  11.195  -0.731   6.278
  559   2HG2  THR  82          1HG2      THR  82   9.465  -0.644   5.890
  560   3HG2  THR  82          2HG2      THR  82   9.990  -0.747   7.580
  561    H    SER  83           HN       SER  83   9.066  -5.032   4.040
  562    HA   SER  83           HA       SER  83  11.118  -6.999   3.856
  563   1HB   SER  83          2HB       SER  83   8.883  -7.430   5.895
  564   2HB   SER  83          3HB       SER  83   9.985  -8.704   5.338
  565    HG   SER  83           HOG      SER  83  11.434  -6.614   6.170
  566    H    ASP  84           HN       ASP  84   9.735  -9.241   3.322
  567    HA   ASP  84           HA       ASP  84   8.085  -8.797   1.000
  568   1HB   ASP  84          2HB       ASP  84   7.762 -11.193   1.209
  569   2HB   ASP  84          3HB       ASP  84   9.453 -10.693   1.034
  570    H    VAL  85           HN       VAL  85   6.536  -7.449   1.849
  571    HA   VAL  85           HA       VAL  85   4.681  -8.373   3.926
  572    HB   VAL  85           HB       VAL  85   5.173  -6.059   4.066
  573   1HG1  VAL  85          3HG1      VAL  85   4.912  -6.134   1.093
  574   2HG1  VAL  85          1HG1      VAL  85   4.496  -4.620   1.888
  575   3HG1  VAL  85          2HG1      VAL  85   6.117  -5.311   2.100
  576   1HG2  VAL  85          2HG2      VAL  85   2.718  -6.578   4.281
  577   2HG2  VAL  85          3HG2      VAL  85   3.030  -4.928   3.820
  578   3HG2  VAL  85          1HG2      VAL  85   2.503  -6.072   2.599
  579    H    VAL  86           HN       VAL  86   2.393  -8.489   3.638
  580    HA   VAL  86           HA       VAL  86   1.429  -9.006   0.877
  581    HB   VAL  86           HB       VAL  86   0.573 -10.498   3.390
  582   1HG1  VAL  86          1HG1      VAL  86  -1.205 -10.144   1.598
  583   2HG1  VAL  86          2HG1      VAL  86  -0.173 -11.029   0.478
  584   3HG1  VAL  86          3HG1      VAL  86  -0.808 -11.840   1.915
  585   1HG2  VAL  86          1HG2      VAL  86   2.263 -11.445   1.025
  586   2HG2  VAL  86          2HG2      VAL  86   2.789 -11.329   2.717
  587   3HG2  VAL  86          3HG2      VAL  86   1.562 -12.517   2.257
  588    H    ILE  87           HN       ILE  87  -0.074  -7.440   0.463
  589    HA   ILE  87           HA       ILE  87  -1.811  -6.521   2.638
  590    HB   ILE  87           HB       ILE  87  -0.163  -4.877   2.652
  591   1HG1  ILE  87          2HG1      ILE  87  -2.597  -4.000   2.192
  592   2HG1  ILE  87          3HG1      ILE  87  -1.214  -2.907   2.208
  593   1HG2  ILE  87          3HG2      ILE  87  -0.040  -4.928  -0.312
  594   2HG2  ILE  87          1HG2      ILE  87   0.750  -3.704   0.713
  595   3HG2  ILE  87          2HG2      ILE  87   1.239  -5.402   0.815
  596   1HD1  ILE  87           HD2      ILE  87  -2.112  -4.197  -0.363
  597   2HD1  ILE  87           HD3      ILE  87  -2.767  -2.674   0.191
  598   3HD1  ILE  87           HD1      ILE  87  -1.048  -2.800  -0.118
  599    H    GLU  88           HN       GLU  88  -3.875  -5.768   1.853
  600    HA   GLU  88           HA       GLU  88  -4.528  -6.513  -0.971
  601   1HB   GLU  88          2HB       GLU  88  -6.431  -5.671   1.179
  602   2HB   GLU  88          3HB       GLU  88  -6.818  -6.564  -0.304
  603   1HG   GLU  88          2HG       GLU  88  -5.835  -8.572   0.692
  604   2HG   GLU  88          3HG       GLU  88  -5.327  -7.647   2.113
  605    H    THR  89           HN       THR  89  -5.057  -4.915  -2.441
  606    HA   THR  89           HA       THR  89  -4.784  -2.093  -1.443
  607    HB   THR  89           HB       THR  89  -4.327  -1.424  -3.736
  608    HG1  THR  89           HG1      THR  89  -5.028  -4.073  -4.439
  609   1HG2  THR  89          2HG2      THR  89  -2.890  -4.047  -3.183
  610   2HG2  THR  89          3HG2      THR  89  -2.411  -2.763  -4.303
  611   3HG2  THR  89          1HG2      THR  89  -2.447  -2.443  -2.559
  612    H    HIS  90           HN       HIS  90  -6.355  -0.512  -2.712
  613    HA   HIS  90           HA       HIS  90  -8.439   0.237  -3.197
  614   1HB   HIS  90          2HB       HIS  90  -9.185  -2.659  -3.816
  615   2HB   HIS  90          3HB       HIS  90 -10.106  -1.219  -4.226
  616    HD1  HIS  90           HND      HIS  90  -6.341  -1.875  -4.938
  617    HD2  HIS  90           HD       HIS  90 -10.041  -1.218  -6.824
  618    HE1  HIS  90           HE       HIS  90  -5.883  -1.963  -7.402
  619    H    LYS  91           HN       LYS  91  -7.962   0.221  -0.594
  620    HA   LYS  91           HA       LYS  91 -10.492  -0.830   0.637
  621   1HB   LYS  91          2HB       LYS  91  -7.789  -0.477   1.942
  622   2HB   LYS  91          3HB       LYS  91  -9.221  -1.190   2.661
  623   1HG   LYS  91          2HG       LYS  91  -7.794  -2.337   0.201
  624   2HG   LYS  91          3HG       LYS  91  -7.623  -2.924   1.854
  625   1HD   LYS  91          2HD       LYS  91  -9.766  -3.600   2.053
  626   2HD   LYS  91          3HD       LYS  91 -10.327  -2.821   0.594
  627   1HE   LYS  91          2HE       LYS  91  -9.529  -4.273  -0.891
  628   2HE   LYS  91          3HE       LYS  91  -8.211  -4.824   0.143
  629   1HZ   LYS  91          2HNZ      LYS  91 -10.989  -5.356   0.883
  630   2HZ   LYS  91          3HNZ      LYS  91 -10.208  -6.352  -0.189
  631   3HZ   LYS  91          1HNZ      LYS  91  -9.594  -6.193   1.312
  632    H    GLU  92           HN       GLU  92  -9.586   1.920  -0.572
  633    HA   GLU  92           HA       GLU  92  -9.766   3.939   1.308
  634   1HB   GLU  92          2HB       GLU  92  -9.500   4.155  -1.168
  635   2HB   GLU  92          3HB       GLU  92 -11.199   3.742  -1.386
  636   1HG   GLU  92          2HG       GLU  92 -11.764   5.790   0.029
  637   2HG   GLU  92          3HG       GLU  92 -10.042   6.216  -0.050
  638    H    GLU  93           HN       GLU  93 -12.607   2.529  -0.387
  639    HA   GLU  93           HA       GLU  93 -14.379   3.375   1.739
  640   1HB   GLU  93          2HB       GLU  93 -14.939   1.740  -0.768
  641   2HB   GLU  93          3HB       GLU  93 -16.137   2.521   0.268
  642   1HG   GLU  93          2HG       GLU  93 -15.206   4.747  -0.295
  643   2HG   GLU  93          3HG       GLU  93 -14.002   3.999  -1.355
  644    H    GLU  94           HN       GLU  94 -12.297   1.266   2.428
  645    HA   GLU  94           HA       GLU  94 -14.224  -0.535   3.790
  646   1HB   GLU  94          2HB       GLU  94 -11.471  -1.333   2.761
  647   2HB   GLU  94          3HB       GLU  94 -12.492  -2.260   3.855
  648   1HG   GLU  94          2HG       GLU  94 -14.271  -1.987   1.864
  649   2HG   GLU  94          3HG       GLU  94 -12.792  -1.887   0.902
  650    H    ILE  95           HN       ILE  95 -11.595   1.822   4.064
  651    HA   ILE  95           HA       ILE  95 -11.213   1.051   6.847
  652    HB   ILE  95           HB       ILE  95  -9.561   2.804   6.926
  653   1HG1  ILE  95          2HG1      ILE  95  -9.998   3.187   3.947
  654   2HG1  ILE  95          3HG1      ILE  95 -10.570   4.316   5.200
  655   1HG2  ILE  95          1HG2      ILE  95  -9.115   0.517   6.326
  656   2HG2  ILE  95          2HG2      ILE  95  -9.146   0.892   4.595
  657   3HG2  ILE  95          3HG2      ILE  95  -7.901   1.593   5.660
  658   1HD1  ILE  95           HD1      ILE  95  -7.650   3.583   4.918
  659   2HD1  ILE  95           HD2      ILE  95  -8.443   4.908   4.085
  660   3HD1  ILE  95           HD3      ILE  95  -8.402   4.894   5.866
  661    H    VAL  96           HN       VAL  96 -12.825   3.567   4.963
  662    HA   VAL  96           HA       VAL  96 -13.537   5.101   7.345
  663    HB   VAL  96           HB       VAL  96 -14.837   6.471   5.846
  664   1HG1  VAL  96          2HG1      VAL  96 -12.343   6.784   5.958
  665   2HG1  VAL  96          3HG1      VAL  96 -12.195   5.810   4.476
  666   3HG1  VAL  96          1HG1      VAL  96 -13.074   7.342   4.443
  667   1HG2  VAL  96          3HG2      VAL  96 -14.178   4.445   3.675
  668   2HG2  VAL  96          1HG2      VAL  96 -15.788   4.792   4.329
  669   3HG2  VAL  96          2HG2      VAL  96 -14.925   6.028   3.400
   
  No H/Q in entry =         668
  Start of MODEL   17
    1   1H    ALA   1          1HN       ALA   1  18.044  -2.590  -0.226
    2   2H    ALA   1          2HN       ALA   1  16.670  -2.594  -1.055
    3   2H    ALA   1          3HN       ALA   1  16.670  -2.594  -1.055
    4    HA   ALA   1           HA       ALA   1  18.170  -4.974  -0.351
    5   1HB   ALA   1          2HB       ALA   1  17.366  -3.796   1.677
    6   2HB   ALA   1          3HB       ALA   1  15.697  -3.996   1.091
    7   3HB   ALA   1          1HB       ALA   1  16.686  -5.415   1.459
    8    H    THR   2           HN       THR   2  14.786  -3.951  -1.066
    9    HA   THR   2           HA       THR   2  13.412  -4.559  -2.706
   10    HB   THR   2           HB       THR   2  15.417  -6.522  -3.744
   11    HG1  THR   2           HG1      THR   2  15.298  -3.722  -4.289
   12   1HG2  THR   2          1HG2      THR   2  13.229  -4.872  -5.088
   13   2HG2  THR   2          2HG2      THR   2  14.383  -5.932  -5.921
   14   3HG2  THR   2          3HG2      THR   2  13.201  -6.624  -4.799
   15    H    TYR   3           HN       TYR   3  11.631  -5.509  -1.977
   16    HA   TYR   3           HA       TYR   3  11.823  -8.304  -0.913
   17   1HB   TYR   3          2HB       TYR   3  10.035  -6.059   0.057
   18   2HB   TYR   3          3HB       TYR   3  10.156  -7.674   0.719
   19    HD1  TYR   3           HD2      TYR   3  12.895  -8.268   1.223
   20    HD2  TYR   3           HD1      TYR   3  11.032  -4.379   1.300
   21    HE1  TYR   3           HE2      TYR   3  14.717  -7.407   2.667
   22    HE2  TYR   3           HE1      TYR   3  12.730  -3.602   2.896
   23    HH   TYR   3           HOH      TYR   3  14.759  -4.042   3.873
   24    H    ASN   4           HN       ASN   4   9.947  -9.549  -1.013
   25    HA   ASN   4           HA       ASN   4   8.422  -9.449  -3.459
   26   1HB   ASN   4          2HB       ASN   4   9.407 -11.527  -2.611
   27   2HB   ASN   4          3HB       ASN   4   8.689 -11.276  -1.021
   28   1HD2  ASN   4          2HND      ASN   4   5.768 -12.105  -3.743
   29   2HD2  ASN   4          1HND      ASN   4   6.650 -10.554  -3.783
   30    H    VAL   5           HN       VAL   5   6.882  -7.781  -3.320
   31    HA   VAL   5           HA       VAL   5   5.174  -7.726  -0.858
   32    HB   VAL   5           HB       VAL   5   5.358  -5.653  -3.035
   33   1HG1  VAL   5          1HG1      VAL   5   4.104  -5.671  -0.234
   34   2HG1  VAL   5          2HG1      VAL   5   4.169  -4.271  -1.315
   35   3HG1  VAL   5          3HG1      VAL   5   3.207  -5.684  -1.763
   36   1HG2  VAL   5          3HG2      VAL   5   6.710  -5.855  -0.310
   37   2HG2  VAL   5          1HG2      VAL   5   7.496  -5.710  -1.898
   38   3HG2  VAL   5          2HG2      VAL   5   6.573  -4.346  -1.240
   39    H    LYS   6           HN       LYS   6   3.331  -8.933  -1.063
   40    HA   LYS   6           HA       LYS   6   2.115  -9.315  -3.732
   41   1HB   LYS   6          2HB       LYS   6   2.179 -11.190  -2.228
   42   2HB   LYS   6          3HB       LYS   6   1.315 -10.285  -1.008
   43   1HG   LYS   6          2HG       LYS   6  -0.631  -9.996  -2.712
   44   2HG   LYS   6          3HG       LYS   6   0.298 -10.970  -3.821
   45   1HD   LYS   6          2HD       LYS   6  -0.823 -11.913  -1.131
   46   2HD   LYS   6          3HD       LYS   6  -1.395 -12.278  -2.742
   47   1HE   LYS   6          2HE       LYS   6   1.086 -13.039  -3.154
   48   2HE   LYS   6          3HE       LYS   6   1.191 -13.165  -1.398
   49   1HZ   LYS   6          2HNZ      LYS   6  -0.808 -14.458  -3.171
   50   2HZ   LYS   6          3HNZ      LYS   6   0.566 -15.198  -2.642
   51   3HZ   LYS   6          1HNZ      LYS   6  -0.637 -14.777  -1.570
   52    H    LEU   7           HN       LEU   7   0.650  -8.014  -4.560
   53    HA   LEU   7           HA       LEU   7  -1.099  -6.391  -2.742
   54   1HB   LEU   7          2HB       LEU   7  -0.432  -6.159  -5.678
   55   2HB   LEU   7          3HB       LEU   7  -1.439  -5.044  -4.785
   56    HG   LEU   7           HG       LEU   7   1.547  -5.508  -4.448
   57   1HD1  LEU   7          1HD1      LEU   7  -0.072  -3.332  -5.776
   58   2HD1  LEU   7          2HD1      LEU   7   1.629  -3.101  -5.304
   59   3HD1  LEU   7          3HD1      LEU   7   1.192  -4.385  -6.435
   60   1HD2  LEU   7          3HD2      LEU   7  -0.349  -3.717  -2.903
   61   2HD2  LEU   7          1HD2      LEU   7   0.861  -4.900  -2.330
   62   3HD2  LEU   7          2HD2      LEU   7   1.392  -3.375  -3.027
   63    H    ILE   8           HN       ILE   8  -2.758  -7.743  -2.192
   64    HA   ILE   8           HA       ILE   8  -3.968  -9.541  -4.160
   65    HB   ILE   8           HB       ILE   8  -4.647  -8.689  -1.360
   66   1HG1  ILE   8          2HG1      ILE   8  -4.006 -11.466  -2.253
   67   2HG1  ILE   8          3HG1      ILE   8  -2.722 -10.302  -1.894
   68   1HG2  ILE   8          3HG2      ILE   8  -6.154 -10.591  -3.206
   69   2HG2  ILE   8          1HG2      ILE   8  -6.445 -10.450  -1.462
   70   3HG2  ILE   8          2HG2      ILE   8  -6.786  -9.080  -2.516
   71   1HD1  ILE   8           HD2      ILE   8  -4.890 -11.115   0.070
   72   2HD1  ILE   8           HD3      ILE   8  -3.206 -11.661   0.065
   73   3HD1  ILE   8           HD1      ILE   8  -3.576  -9.950   0.355
   74    H    THR   9           HN       THR   9  -4.393  -8.245  -5.916
   75    HA   THR   9           HA       THR   9  -6.159  -5.934  -5.624
   76    HB   THR   9           HB       THR   9  -5.901  -5.854  -8.052
   77    HG1  THR   9           HG1      THR   9  -5.486  -8.189  -8.324
   78   1HG2  THR   9          1HG2      THR   9  -3.271  -6.219  -6.534
   79   2HG2  THR   9          2HG2      THR   9  -3.404  -5.496  -8.142
   80   3HG2  THR   9          3HG2      THR   9  -4.163  -4.685  -6.763
   81    HA   PRO  10           HA       PRO  10  -9.907  -8.224  -6.371
   82   1HB   PRO  10          2HB       PRO  10 -10.605  -6.354  -8.551
   83   2HB   PRO  10          3HB       PRO  10 -11.516  -6.794  -7.065
   84   1HG   PRO  10          2HG       PRO  10 -10.232  -4.451  -7.398
   85   2HG   PRO  10          3HG       PRO  10 -10.339  -5.211  -5.792
   86   1HD   PRO  10          2HD       PRO  10  -8.048  -5.047  -7.587
   87   2HD   PRO  10          3HD       PRO  10  -8.089  -5.144  -5.863
   88    H    ASP  11           HN       ASP  11  -7.961  -7.255  -9.167
   89    HA   ASP  11           HA       ASP  11  -8.743  -8.861 -11.272
   90   1HB   ASP  11          2HB       ASP  11  -6.011  -7.885 -10.294
   91   2HB   ASP  11          3HB       ASP  11  -6.264  -8.635 -11.851
   92    H    GLY  12           HN       GLY  12  -6.965  -9.624  -8.374
   93   1HA   GLY  12          2HA       GLY  12  -7.013 -11.687  -7.487
   94   2HA   GLY  12          3HA       GLY  12  -6.824 -12.516  -9.055
   95    H    GLU  13           HN       GLU  13  -5.199 -10.065  -7.088
   96    HA   GLU  13           HA       GLU  13  -3.188  -9.849  -6.114
   97   1HB   GLU  13          2HB       GLU  13  -2.773 -12.671  -7.019
   98   2HB   GLU  13          3HB       GLU  13  -1.636 -11.751  -6.037
   99   1HG   GLU  13          2HG       GLU  13  -2.991 -11.650  -4.216
  100   2HG   GLU  13          3HG       GLU  13  -4.479 -12.109  -5.084
  101    H    VAL  14           HN       VAL  14  -1.267  -9.029  -6.507
  102    HA   VAL  14           HA       VAL  14   0.274  -9.831  -8.870
  103    HB   VAL  14           HB       VAL  14   0.802  -7.542  -9.543
  104   1HG1  VAL  14          3HG1      VAL  14  -1.016  -8.869 -10.665
  105   2HG1  VAL  14          1HG1      VAL  14  -2.190  -8.010  -9.626
  106   3HG1  VAL  14          2HG1      VAL  14  -1.212  -7.111 -10.796
  107   1HG2  VAL  14          2HG2      VAL  14  -1.380  -6.779  -7.570
  108   2HG2  VAL  14          3HG2      VAL  14   0.266  -6.104  -7.708
  109   3HG2  VAL  14          1HG2      VAL  14  -0.948  -5.759  -8.935
  110    H    GLU  15           HN       GLU  15   1.660 -10.876  -7.531
  111    HA   GLU  15           HA       GLU  15   3.185  -9.475  -5.481
  112   1HB   GLU  15          2HB       GLU  15   3.518 -12.109  -6.963
  113   2HB   GLU  15          3HB       GLU  15   4.825 -11.410  -5.996
  114   1HG   GLU  15          2HG       GLU  15   3.393 -11.257  -4.042
  115   2HG   GLU  15          3HG       GLU  15   2.034 -11.987  -4.951
  116    H    PHE  16           HN       PHE  16   4.897  -8.267  -5.672
  117    HA   PHE  16           HA       PHE  16   6.448  -8.192  -8.163
  118   1HB   PHE  16          2HB       PHE  16   6.056  -6.100  -8.808
  119   2HB   PHE  16          3HB       PHE  16   4.447  -6.690  -8.478
  120    HD1  PHE  16           HD2      PHE  16   3.584  -6.114  -5.983
  121    HD2  PHE  16           HD1      PHE  16   6.983  -4.221  -7.849
  122    HE1  PHE  16           HE2      PHE  16   3.596  -4.375  -4.260
  123    HE2  PHE  16           HE1      PHE  16   6.955  -2.511  -6.174
  124    HZ   PHE  16           HZ       PHE  16   5.173  -2.419  -4.448
  125    H    LYS  17           HN       LYS  17   8.260  -6.410  -7.915
  126    HA   LYS  17           HA       LYS  17   9.397  -7.027  -5.217
  127   1HB   LYS  17          2HB       LYS  17  10.509  -7.399  -7.877
  128   2HB   LYS  17          3HB       LYS  17  11.521  -6.351  -6.885
  129   1HG   LYS  17          2HG       LYS  17  12.251  -8.616  -6.499
  130   2HG   LYS  17          3HG       LYS  17  11.473  -7.995  -5.040
  131   1HD   LYS  17          2HD       LYS  17  10.292  -9.912  -5.014
  132   2HD   LYS  17          3HD       LYS  17   9.318  -9.099  -6.216
  133   1HE   LYS  17          2HE       LYS  17   9.692 -11.144  -7.252
  134   2HE   LYS  17          3HE       LYS  17  10.939 -10.132  -7.989
  135   1HZ   LYS  17          2HNZ      LYS  17  12.480 -11.052  -6.319
  136   2HZ   LYS  17          3HNZ      LYS  17  11.281 -12.021  -5.741
  137   3HZ   LYS  17          1HNZ      LYS  17  11.833 -12.227  -7.274
  138    H    CYS  18           HN       CYS  18   9.590  -5.432  -3.893
  139    HA   CYS  18           HA       CYS  18   9.643  -2.619  -4.953
  140   1HB   CYS  18          2HB       CYS  18   7.461  -3.389  -3.910
  141   2HB   CYS  18          3HB       CYS  18   8.372  -3.439  -2.399
  142    HG   CYS  18           HSG      CYS  18   8.090  -0.990  -4.640
  143    H    ASP  19           HN       ASP  19  11.384  -1.509  -4.458
  144    HA   ASP  19           HA       ASP  19  13.297  -2.476  -2.578
  145   1HB   ASP  19          2HB       ASP  19  13.217   0.234  -3.905
  146   2HB   ASP  19          3HB       ASP  19  14.595  -0.585  -3.152
  147    H    ASP  20           HN       ASP  20  13.985  -1.603  -0.801
  148    HA   ASP  20           HA       ASP  20  12.120  -0.755   1.179
  149   1HB   ASP  20          2HB       ASP  20  14.329  -0.509   2.535
  150   2HB   ASP  20          3HB       ASP  20  13.897  -2.097   1.924
  151    H    ASP  21           HN       ASP  21  14.022   0.903  -1.116
  152    HA   ASP  21           HA       ASP  21  13.839   3.527   0.288
  153   1HB   ASP  21          2HB       ASP  21  15.533   2.548  -2.058
  154   2HB   ASP  21          3HB       ASP  21  15.490   4.208  -1.470
  155    H    VAL  22           HN       VAL  22  11.722   1.852  -1.598
  156    HA   VAL  22           HA       VAL  22  11.024   4.286  -3.163
  157    HB   VAL  22           HB       VAL  22  12.372   2.478  -4.446
  158   1HG1  VAL  22          1HG1      VAL  22  10.790   0.602  -3.592
  159   2HG1  VAL  22          2HG1      VAL  22   9.650   1.180  -4.800
  160   3HG1  VAL  22          3HG1      VAL  22  11.276   0.620  -5.279
  161   1HG2  VAL  22          3HG2      VAL  22  11.199   4.392  -5.498
  162   2HG2  VAL  22          1HG2      VAL  22  11.164   2.920  -6.489
  163   3HG2  VAL  22          2HG2      VAL  22   9.722   3.404  -5.584
  164    H    TYR  23           HN       TYR  23   8.821   4.309  -3.936
  165    HA   TYR  23           HA       TYR  23   7.112   3.574  -1.733
  166   1HB   TYR  23          2HB       TYR  23   6.546   4.992  -4.352
  167   2HB   TYR  23          3HB       TYR  23   5.383   4.783  -3.048
  168    HD1  TYR  23           HD2      TYR  23   6.326   5.489  -0.624
  169    HD2  TYR  23           HD1      TYR  23   7.701   7.090  -4.377
  170    HE1  TYR  23           HE2      TYR  23   6.828   7.643   0.484
  171    HE2  TYR  23           HE1      TYR  23   8.255   9.235  -3.246
  172    HH   TYR  23           HOH      TYR  23   7.539   9.791   0.243
  173    H    VAL  24           HN       VAL  24   5.588   1.948  -1.660
  174    HA   VAL  24           HA       VAL  24   5.738  -0.291  -3.284
  175    HB   VAL  24           HB       VAL  24   3.157   0.566  -1.938
  176   1HG1  VAL  24          2HG1      VAL  24   3.086  -1.484  -3.447
  177   2HG1  VAL  24          3HG1      VAL  24   4.381  -2.178  -2.430
  178   3HG1  VAL  24          1HG1      VAL  24   2.789  -1.839  -1.736
  179   1HG2  VAL  24          2HG2      VAL  24   5.635  -0.829  -0.815
  180   2HG2  VAL  24          3HG2      VAL  24   4.879   0.656  -0.215
  181   3HG2  VAL  24          1HG2      VAL  24   4.045  -0.871  -0.030
  182    H    LEU  25           HN       LEU  25   3.478   2.415  -3.782
  183    HA   LEU  25           HA       LEU  25   2.203   1.448  -6.099
  184   1HB   LEU  25          2HB       LEU  25   1.675   3.796  -6.584
  185   2HB   LEU  25          3HB       LEU  25   1.245   3.288  -4.961
  186    HG   LEU  25           HG       LEU  25   3.965   4.552  -5.154
  187   1HD1  LEU  25          3HD1      LEU  25   2.768   5.873  -6.839
  188   2HD1  LEU  25          1HD1      LEU  25   1.476   6.213  -5.657
  189   3HD1  LEU  25          2HD1      LEU  25   3.125   6.820  -5.385
  190   1HD2  LEU  25          1HD2      LEU  25   1.509   4.934  -3.438
  191   2HD2  LEU  25          2HD2      LEU  25   2.972   4.060  -2.959
  192   3HD2  LEU  25          3HD2      LEU  25   3.042   5.812  -3.201
  193    H    ASP  26           HN       ASP  26   5.390   3.018  -5.806
  194    HA   ASP  26           HA       ASP  26   5.429   4.109  -8.467
  195   1HB   ASP  26          2HB       ASP  26   6.712   5.036  -6.649
  196   2HB   ASP  26          3HB       ASP  26   7.608   3.543  -6.427
  197    H    GLN  27           HN       GLN  27   7.412   1.585  -6.985
  198    HA   GLN  27           HA       GLN  27   8.275   0.447  -9.385
  199   1HB   GLN  27          2HB       GLN  27   8.038  -0.616  -6.582
  200   2HB   GLN  27          3HB       GLN  27   8.494  -1.738  -7.875
  201   1HG   GLN  27          2HG       GLN  27   9.957   0.851  -7.232
  202   2HG   GLN  27          3HG       GLN  27  10.438  -0.782  -6.694
  203   1HE2  GLN  27          2HNE      GLN  27  11.339  -1.836 -10.068
  204   2HE2  GLN  27          1HNE      GLN  27  10.393  -2.446  -8.717
  205    H    ALA  28           HN       ALA  28   5.331  -0.308  -7.443
  206    HA   ALA  28           HA       ALA  28   4.380  -2.520  -8.896
  207   1HB   ALA  28          3HB       ALA  28   2.917  -0.181  -7.656
  208   2HB   ALA  28          1HB       ALA  28   2.118  -1.620  -8.225
  209   3HB   ALA  28          2HB       ALA  28   3.280  -1.759  -6.905
  210    H    GLU  29           HN       GLU  29   3.593   0.955  -9.604
  211    HA   GLU  29           HA       GLU  29   2.266   0.329 -12.015
  212   1HB   GLU  29          2HB       GLU  29   3.673   2.881 -11.118
  213   2HB   GLU  29          3HB       GLU  29   2.797   2.737 -12.651
  214   1HG   GLU  29          2HG       GLU  29   0.737   2.071 -11.442
  215   2HG   GLU  29          3HG       GLU  29   1.574   2.286  -9.898
  216    H    GLU  30           HN       GLU  30   5.782   1.001 -11.386
  217    HA   GLU  30           HA       GLU  30   6.678   0.764 -14.057
  218   1HB   GLU  30          2HB       GLU  30   8.118  -0.076 -11.548
  219   2HB   GLU  30          3HB       GLU  30   8.837   0.011 -13.141
  220   1HG   GLU  30          2HG       GLU  30   7.487   2.470 -11.970
  221   2HG   GLU  30          3HG       GLU  30   9.143   2.032 -11.549
  222    H    GLU  31           HN       GLU  31   5.859  -1.887 -11.832
  223    HA   GLU  31           HA       GLU  31   6.757  -3.881 -13.768
  224   1HB   GLU  31          2HB       GLU  31   4.854  -4.274 -11.441
  225   2HB   GLU  31          3HB       GLU  31   5.835  -5.497 -12.265
  226   1HG   GLU  31          2HG       GLU  31   7.548  -3.322 -11.423
  227   2HG   GLU  31          3HG       GLU  31   6.508  -3.716 -10.098
  228    H    GLY  32           HN       GLY  32   3.922  -2.039 -13.187
  229   1HA   GLY  32          2HA       GLY  32   2.501  -1.603 -15.149
  230   2HA   GLY  32          3HA       GLY  32   2.454  -3.340 -15.479
  231    H    ILE  33           HN       ILE  33   2.381  -2.561 -12.098
  232    HA   ILE  33           HA       ILE  33  -0.267  -3.700 -11.879
  233    HB   ILE  33           HB       ILE  33   1.606  -2.389  -9.978
  234   1HG1  ILE  33          2HG1      ILE  33   0.908  -5.284 -10.389
  235   2HG1  ILE  33          3HG1      ILE  33   2.349  -4.473 -11.038
  236   1HG2  ILE  33          1HG2      ILE  33  -1.121  -3.616  -9.503
  237   2HG2  ILE  33          2HG2      ILE  33   0.095  -3.641  -8.216
  238   3HG2  ILE  33          3HG2      ILE  33  -0.461  -2.106  -8.859
  239   1HD1  ILE  33           HD1      ILE  33   2.357  -3.968  -8.231
  240   2HD1  ILE  33           HD2      ILE  33   2.300  -5.719  -8.553
  241   3HD1  ILE  33           HD3      ILE  33   3.553  -4.704  -9.283
  242    H    ASP  34           HN       ASP  34  -2.053  -2.649 -12.253
  243    HA   ASP  34           HA       ASP  34  -2.265   0.272 -12.197
  244   1HB   ASP  34          2HB       ASP  34  -3.321  -1.160 -13.888
  245   2HB   ASP  34          3HB       ASP  34  -4.356  -1.879 -12.606
  246    H    ILE  35           HN       ILE  35  -1.523   0.031  -9.765
  247    HA   ILE  35           HA       ILE  35  -3.611  -0.667  -7.951
  248    HB   ILE  35           HB       ILE  35  -0.962  -0.047  -7.726
  249   1HG1  ILE  35          2HG1      ILE  35  -2.731  -0.636  -5.432
  250   2HG1  ILE  35          3HG1      ILE  35  -1.906  -1.704  -6.569
  251   1HG2  ILE  35          1HG2      ILE  35  -1.385   2.378  -7.633
  252   2HG2  ILE  35          2HG2      ILE  35  -2.272   2.137  -6.113
  253   3HG2  ILE  35          3HG2      ILE  35  -0.544   1.761  -6.225
  254   1HD1  ILE  35           HD3      ILE  35   0.286  -0.800  -5.792
  255   2HD1  ILE  35           HD1      ILE  35  -0.566   0.229  -4.620
  256   3HD1  ILE  35           HD2      ILE  35  -0.649  -1.518  -4.464
  257    HA   PRO  36           HA       PRO  36  -6.013   3.111  -8.250
  258   1HB   PRO  36          2HB       PRO  36  -7.028   3.385  -5.680
  259   2HB   PRO  36          3HB       PRO  36  -7.593   2.222  -6.898
  260   1HG   PRO  36          2HG       PRO  36  -5.948   1.658  -4.478
  261   2HG   PRO  36          3HG       PRO  36  -7.035   0.606  -5.410
  262   1HD   PRO  36          2HD       PRO  36  -4.169   0.822  -5.571
  263   2HD   PRO  36          3HD       PRO  36  -5.179  -0.219  -6.563
  264    H    TYR  37           HN       TYR  37  -3.823   4.100  -8.617
  265    HA   TYR  37           HA       TYR  37  -2.281   5.397  -6.703
  266   1HB   TYR  37          2HB       TYR  37  -1.614   5.096  -9.011
  267   2HB   TYR  37          3HB       TYR  37  -2.880   6.173  -9.580
  268    HD1  TYR  37           HD1      TYR  37   0.410   5.967  -7.901
  269    HD2  TYR  37           HD2      TYR  37  -2.594   8.581  -9.527
  270    HE1  TYR  37           HE1      TYR  37   2.055   7.814  -7.986
  271    HE2  TYR  37           HE2      TYR  37  -1.002  10.475  -9.438
  272    HH   TYR  37           HOH      TYR  37   2.445   9.929  -8.779
  273    H    SER  38           HN       SER  38  -4.748   7.099  -8.709
  274    HA   SER  38           HA       SER  38  -6.150   8.828  -8.276
  275   1HB   SER  38          2HB       SER  38  -7.078   7.389  -6.584
  276   2HB   SER  38          3HB       SER  38  -5.870   7.855  -5.409
  277    HG   SER  38           HOG      SER  38  -7.445   9.185  -4.896
  278    H    CYS  39           HN       CYS  39  -5.660  10.383  -5.521
  279    HA   CYS  39           HA       CYS  39  -3.819  12.375  -6.498
  280   1HB   CYS  39          2HB       CYS  39  -4.468  13.533  -4.805
  281   2HB   CYS  39          3HB       CYS  39  -5.556  12.252  -4.322
  282    H    ARG  40           HN       ARG  40  -1.798  12.853  -4.980
  283    HA   ARG  40           HA       ARG  40  -0.691  10.668  -3.661
  284   1HB   ARG  40          2HB       ARG  40  -0.037   9.826  -5.873
  285   2HB   ARG  40          3HB       ARG  40   0.853  11.302  -6.202
  286   1HG   ARG  40          2HG       ARG  40   1.696  10.132  -3.631
  287   2HG   ARG  40          3HG       ARG  40   1.665   8.874  -4.857
  288   1HD   ARG  40          2HD       ARG  40   3.884   9.997  -4.703
  289   2HD   ARG  40          3HD       ARG  40   3.130  10.165  -6.312
  290    HE   ARG  40           HNE      ARG  40   2.418  12.321  -4.524
  291   1HH1  ARG  40          2HN2      ARG  40   5.071  11.396  -6.613
  292   2HH1  ARG  40          1HN2      ARG  40   5.332  13.001  -7.237
  293   1HH2  ARG  40          2HN1      ARG  40   2.566  14.283  -5.320
  294   2HH2  ARG  40          1HN1      ARG  40   3.867  14.786  -6.385
  295    H    ALA  41           HN       ALA  41  -0.440  11.890  -1.972
  296    HA   ALA  41           HA       ALA  41   1.682  13.901  -1.884
  297   1HB   ALA  41          1HB       ALA  41  -0.167  15.285  -2.738
  298   2HB   ALA  41          2HB       ALA  41  -1.200  14.761  -1.389
  299   3HB   ALA  41          3HB       ALA  41   0.250  15.742  -1.076
  300    H    GLY  42           HN       GLY  42  -0.994  12.240  -0.126
  301   1HA   GLY  42          2HA       GLY  42  -0.838  11.244   1.953
  302   2HA   GLY  42          3HA       GLY  42   0.753  11.960   2.243
  303    H    SER  43           HN       SER  43  -2.708  12.586   2.060
  304    HA   SER  43           HA       SER  43  -3.010  14.207   4.272
  305   1HB   SER  43          2HB       SER  43  -2.295  15.821   1.821
  306   2HB   SER  43          3HB       SER  43  -3.632  16.402   2.819
  307    HG   SER  43           HOG      SER  43  -2.065  16.058   4.635
  308    H    CYS  44           HN       CYS  44  -4.202  13.197   1.068
  309    HA   CYS  44           HA       CYS  44  -6.828  14.233   1.445
  310   1HB   CYS  44          2HB       CYS  44  -7.332  13.316  -0.518
  311   2HB   CYS  44          3HB       CYS  44  -5.587  13.342  -0.709
  312    H    SER  45           HN       SER  45  -8.621  12.349   1.140
  313    HA   SER  45           HA       SER  45  -8.281  10.274   3.213
  314   1HB   SER  45          2HB       SER  45  -9.471  12.277   4.227
  315   2HB   SER  45          3HB       SER  45 -10.808  11.963   3.102
  316    HG   SER  45           HOG      SER  45  -9.713  10.063   4.917
  317    H    SER  46           HN       SER  46  -7.782   9.339   1.003
  318    HA   SER  46           HA       SER  46  -9.949   7.671   0.339
  319   1HB   SER  46          2HB       SER  46 -10.201   8.156  -2.031
  320   2HB   SER  46          3HB       SER  46 -10.590   9.611  -1.122
  321    HG   SER  46           HOG      SER  46  -8.284  10.199  -1.580
  322    H    CYS  47           HN       CYS  47  -9.113   6.081  -1.377
  323    HA   CYS  47           HA       CYS  47  -7.670   4.534  -2.029
  324   1HB   CYS  47          2HB       CYS  47  -5.944   5.186  -3.189
  325   2HB   CYS  47          3HB       CYS  47  -6.412   6.813  -2.735
  326    H    ALA  48           HN       ALA  48  -6.301   2.874  -1.228
  327    HA   ALA  48           HA       ALA  48  -4.718   2.713   0.988
  328   1HB   ALA  48          3HB       ALA  48  -7.632   2.626   1.821
  329   2HB   ALA  48          1HB       ALA  48  -6.394   1.727   2.718
  330   3HB   ALA  48          2HB       ALA  48  -6.239   3.464   2.561
  331    H    GLY  49           HN       GLY  49  -4.598   0.597   1.978
  332   1HA   GLY  49          2HA       GLY  49  -5.896  -1.584   0.542
  333   2HA   GLY  49          3HA       GLY  49  -4.130  -1.592   0.631
  334    H    LYS  50           HN       LYS  50  -5.596  -3.647   1.801
  335    HA   LYS  50           HA       LYS  50  -5.540  -3.176   4.670
  336   1HB   LYS  50          2HB       LYS  50  -7.391  -4.292   3.163
  337   2HB   LYS  50          3HB       LYS  50  -6.448  -5.757   3.378
  338   1HG   LYS  50          2HG       LYS  50  -6.837  -5.823   5.713
  339   2HG   LYS  50          3HG       LYS  50  -7.163  -4.083   5.791
  340   1HD   LYS  50          2HD       LYS  50  -9.151  -4.469   4.273
  341   2HD   LYS  50          3HD       LYS  50  -8.991  -6.201   4.637
  342   1HE   LYS  50          2HE       LYS  50  -9.346  -5.799   7.009
  343   2HE   LYS  50          3HE       LYS  50  -9.135  -4.087   6.851
  344   1HZ   LYS  50          2HNZ      LYS  50 -11.374  -5.307   5.386
  345   2HZ   LYS  50          3HNZ      LYS  50 -11.518  -4.736   6.945
  346   3HZ   LYS  50          1HNZ      LYS  50 -11.118  -3.762   5.694
  347    H    VAL  51           HN       VAL  51  -3.590  -3.631   5.645
  348    HA   VAL  51           HA       VAL  51  -1.491  -5.239   4.475
  349    HB   VAL  51           HB       VAL  51  -1.898  -4.337   7.357
  350   1HG1  VAL  51          3HG1      VAL  51   0.628  -5.250   5.877
  351   2HG1  VAL  51          1HG1      VAL  51   0.527  -4.631   7.546
  352   3HG1  VAL  51          2HG1      VAL  51  -0.242  -6.164   7.138
  353   1HG2  VAL  51          2HG2      VAL  51  -0.377  -3.013   5.077
  354   2HG2  VAL  51          3HG2      VAL  51  -1.844  -2.399   5.880
  355   3HG2  VAL  51          1HG2      VAL  51  -0.332  -2.512   6.783
  356    H    VAL  52           HN       VAL  52  -1.859  -7.433   4.226
  357    HA   VAL  52           HA       VAL  52  -3.564  -8.972   6.094
  358    HB   VAL  52           HB       VAL  52  -1.934  -9.613   3.635
  359   1HG1  VAL  52          3HG1      VAL  52  -3.452 -11.589   5.385
  360   2HG1  VAL  52          1HG1      VAL  52  -2.869 -11.925   3.741
  361   3HG1  VAL  52          2HG1      VAL  52  -1.709 -11.605   5.029
  362   1HG2  VAL  52          3HG2      VAL  52  -4.106  -8.491   3.326
  363   2HG2  VAL  52          1HG2      VAL  52  -4.134 -10.138   2.667
  364   3HG2  VAL  52          2HG2      VAL  52  -4.919  -9.791   4.220
  365    H    SER  53           HN       SER  53  -0.077  -8.600   5.208
  366    HA   SER  53           HA       SER  53   0.717  -9.194   7.901
  367   1HB   SER  53          2HB       SER  53   0.247 -11.543   6.858
  368   2HB   SER  53          3HB       SER  53   1.663 -11.237   5.847
  369    HG   SER  53           HOG      SER  53   1.494 -11.405   8.677
  370    H    GLY  54           HN       GLY  54   3.245  -9.576   7.798
  371   1HA   GLY  54          2HA       GLY  54   5.357  -8.820   6.860
  372   2HA   GLY  54          3HA       GLY  54   4.458  -7.779   5.768
  373    H    SER  55           HN       SER  55   6.001  -6.115   6.453
  374    HA   SER  55           HA       SER  55   4.582  -4.376   8.196
  375   1HB   SER  55          2HB       SER  55   7.496  -4.799   8.911
  376   2HB   SER  55          3HB       SER  55   6.282  -3.821   9.717
  377    HG   SER  55           HOG      SER  55   5.199  -6.107   9.874
  378    H    ILE  56           HN       ILE  56   5.161  -2.226   7.695
  379    HA   ILE  56           HA       ILE  56   7.199  -1.646   5.700
  380    HB   ILE  56           HB       ILE  56   5.575  -0.548   4.240
  381   1HG1  ILE  56          2HG1      ILE  56   3.365  -1.845   5.853
  382   2HG1  ILE  56          3HG1      ILE  56   3.768  -0.130   5.961
  383   1HG2  ILE  56          3HG2      ILE  56   6.167  -3.141   4.099
  384   2HG2  ILE  56          1HG2      ILE  56   4.473  -3.327   4.540
  385   3HG2  ILE  56          2HG2      ILE  56   4.924  -2.487   3.039
  386   1HD1  ILE  56           HD1      ILE  56   3.183  -1.228   3.210
  387   2HD1  ILE  56           HD2      ILE  56   1.878  -0.973   4.363
  388   3HD1  ILE  56           HD3      ILE  56   2.953   0.381   3.906
  389    H    ASP  57           HN       ASP  57   7.282   0.775   5.462
  390    HA   ASP  57           HA       ASP  57   6.384   2.155   7.964
  391   1HB   ASP  57          2HB       ASP  57   8.814   2.059   7.859
  392   2HB   ASP  57          3HB       ASP  57   8.812   2.631   6.183
  393    H    GLN  58           HN       GLN  58   4.502   3.113   7.414
  394    HA   GLN  58           HA       GLN  58   4.419   4.714   4.898
  395   1HB   GLN  58          2HB       GLN  58   1.969   4.771   5.442
  396   2HB   GLN  58          3HB       GLN  58   2.602   3.231   4.860
  397   1HG   GLN  58          2HG       GLN  58   2.581   2.317   7.072
  398   2HG   GLN  58          3HG       GLN  58   2.323   3.917   7.790
  399   1HE2  GLN  58          2HNE      GLN  58  -0.838   1.980   7.915
  400   2HE2  GLN  58          1HNE      GLN  58   0.797   1.903   8.553
  401    H    SER  59           HN       SER  59   5.901   5.428   7.504
  402    HA   SER  59           HA       SER  59   4.309   7.543   8.654
  403   1HB   SER  59          2HB       SER  59   7.303   7.101   8.871
  404   2HB   SER  59          3HB       SER  59   6.250   7.984   9.993
  405    HG   SER  59           HOG      SER  59   6.438   5.230   9.451
  406    H    ASP  60           HN       ASP  60   4.639   7.846   5.738
  407    HA   ASP  60           HA       ASP  60   5.922  10.546   5.613
  408   1HB   ASP  60          2HB       ASP  60   7.347   8.853   4.547
  409   2HB   ASP  60          3HB       ASP  60   6.011   8.295   3.550
  410    H    GLN  61           HN       GLN  61   3.053   9.146   5.924
  411    HA   GLN  61           HA       GLN  61   1.767  10.164   3.494
  412   1HB   GLN  61          2HB       GLN  61   0.453   8.333   3.666
  413   2HB   GLN  61          3HB       GLN  61   1.948   7.718   4.329
  414   1HG   GLN  61          2HG       GLN  61   1.066   8.156   6.662
  415   2HG   GLN  61          3HG       GLN  61  -0.494   8.627   5.929
  416   1HE2  GLN  61          2HNE      GLN  61  -0.903   5.131   6.800
  417   2HE2  GLN  61          1HNE      GLN  61  -0.851   6.674   7.679
  418    H    SER  62           HN       SER  62   1.421  10.416   7.050
  419    HA   SER  62           HA       SER  62  -0.236  11.308   8.351
  420   1HB   SER  62          2HB       SER  62   0.063  13.558   6.326
  421   2HB   SER  62          3HB       SER  62  -0.521  13.701   7.996
  422    HG   SER  62           HOG      SER  62   2.058  12.851   7.146
  423    H    PHE  63           HN       PHE  63  -1.760   9.550   7.343
  424    HA   PHE  63           HA       PHE  63  -4.283  10.965   7.027
  425   1HB   PHE  63          2HB       PHE  63  -4.009  10.634   4.706
  426   2HB   PHE  63          3HB       PHE  63  -3.382   8.998   4.943
  427    HD1  PHE  63           HD2      PHE  63  -6.514  10.053   6.725
  428    HD2  PHE  63           HD1      PHE  63  -4.884   8.217   3.164
  429    HE1  PHE  63           HE2      PHE  63  -8.572   8.764   6.420
  430    HE2  PHE  63           HE1      PHE  63  -7.013   7.133   2.738
  431    HZ   PHE  63           HZ       PHE  63  -8.898   7.397   4.351
  432    H    LEU  64           HN       LEU  64  -3.365   7.451   6.696
  433    HA   LEU  64           HA       LEU  64  -5.567   6.621   7.999
  434   1HB   LEU  64          2HB       LEU  64  -2.924   5.277   7.734
  435   2HB   LEU  64          3HB       LEU  64  -3.992   4.634   8.942
  436    HG   LEU  64           HG       LEU  64  -5.850   4.406   7.298
  437   1HD1  LEU  64          3HD1      LEU  64  -3.683   5.467   5.534
  438   2HD1  LEU  64          1HD1      LEU  64  -5.011   4.490   4.852
  439   3HD1  LEU  64          2HD1      LEU  64  -5.354   6.047   5.639
  440   1HD2  LEU  64          3HD2      LEU  64  -3.185   3.119   6.763
  441   2HD2  LEU  64          1HD2      LEU  64  -4.428   2.590   7.918
  442   3HD2  LEU  64          2HD2      LEU  64  -4.754   2.506   6.165
  443    H    ASP  65           HN       ASP  65  -6.327   6.195   9.988
  444    HA   ASP  65           HA       ASP  65  -4.910   7.476  12.196
  445   1HB   ASP  65          2HB       ASP  65  -7.522   5.907  12.239
  446   2HB   ASP  65          3HB       ASP  65  -6.950   6.997  13.508
  447    H    ASP  66           HN       ASP  66  -4.958   6.266  14.338
  448    HA   ASP  66           HA       ASP  66  -3.161   4.059  14.295
  449   1HB   ASP  66          2HB       ASP  66  -5.108   5.039  16.451
  450   2HB   ASP  66          3HB       ASP  66  -3.883   3.791  16.699
  451    H    GLU  67           HN       GLU  67  -6.683   4.328  14.653
  452    HA   GLU  67           HA       GLU  67  -7.348   1.686  15.120
  453   1HB   GLU  67          2HB       GLU  67  -9.157   3.268  13.272
  454   2HB   GLU  67          3HB       GLU  67  -9.516   2.310  14.701
  455   1HG   GLU  67          2HG       GLU  67  -8.336   4.222  15.995
  456   2HG   GLU  67          3HG       GLU  67  -8.527   5.143  14.484
  457    H    GLN  68           HN       GLN  68  -7.462   3.324  11.899
  458    HA   GLN  68           HA       GLN  68  -7.868   1.084  10.381
  459   1HB   GLN  68          2HB       GLN  68  -6.319   3.593   9.695
  460   2HB   GLN  68          3HB       GLN  68  -6.923   2.437   8.505
  461   1HG   GLN  68          2HG       GLN  68  -9.191   2.778   9.040
  462   2HG   GLN  68          3HG       GLN  68  -8.812   3.724  10.478
  463   1HE2  GLN  68          2HNE      GLN  68  -9.735   5.979   7.687
  464   2HE2  GLN  68          1HNE      GLN  68 -10.500   4.542   8.326
  465    H    MET  69           HN       MET  69  -4.615   2.476  11.285
  466    HA   MET  69           HA       MET  69  -3.100   0.515   9.918
  467   1HB   MET  69          2HB       MET  69  -2.481   1.990  12.515
  468   2HB   MET  69          3HB       MET  69  -1.346   1.016  11.575
  469   1HG   MET  69          2HG       MET  69  -1.863   2.518   9.582
  470   2HG   MET  69          3HG       MET  69  -2.749   3.528  10.694
  471   1HE   MET  69           HE1      MET  69  -1.070   5.268   9.400
  472   2HE   MET  69           HE2      MET  69  -1.565   5.734  11.046
  473   3HE   MET  69           HE3      MET  69   0.121   5.961  10.534
  474    H    ASP  70           HN       ASP  70  -4.085   0.456  13.378
  475    HA   ASP  70           HA       ASP  70  -3.005  -2.064  14.035
  476   1HB   ASP  70          2HB       ASP  70  -3.887  -0.321  15.639
  477   2HB   ASP  70          3HB       ASP  70  -5.525  -0.733  15.135
  478    H    ALA  71           HN       ALA  71  -6.105  -1.109  12.748
  479    HA   ALA  71           HA       ALA  71  -7.515  -3.580  12.868
  480   1HB   ALA  71          2HB       ALA  71  -7.796  -1.148  11.084
  481   2HB   ALA  71          3HB       ALA  71  -9.024  -2.429  11.211
  482   3HB   ALA  71          1HB       ALA  71  -8.633  -1.417  12.622
  483    H    GLY  72           HN       GLY  72  -5.012  -2.489  10.647
  484   1HA   GLY  72          2HA       GLY  72  -3.933  -4.312   9.454
  485   2HA   GLY  72          3HA       GLY  72  -5.483  -4.928   8.969
  486    H    TYR  73           HN       TYR  73  -4.821  -1.385   8.904
  487    HA   TYR  73           HA       TYR  73  -4.966  -1.611   5.924
  488   1HB   TYR  73          2HB       TYR  73  -5.977   0.570   7.700
  489   2HB   TYR  73          3HB       TYR  73  -5.991   0.531   5.945
  490    HD1  TYR  73           HD1      TYR  73  -7.138  -1.368   4.709
  491    HD2  TYR  73           HD2      TYR  73  -7.829  -0.502   8.865
  492    HE1  TYR  73           HE1      TYR  73  -9.444  -2.116   4.480
  493    HE2  TYR  73           HE2      TYR  73 -10.165  -1.190   8.633
  494    HH   TYR  73           HOH      TYR  73 -11.910  -1.295   6.501
  495    H    VAL  74           HN       VAL  74  -3.995   0.069   4.637
  496    HA   VAL  74           HA       VAL  74  -1.861   1.667   5.836
  497    HB   VAL  74           HB       VAL  74  -0.773  -0.445   5.336
  498   1HG1  VAL  74          2HG1      VAL  74  -2.236  -1.351   3.607
  499   2HG1  VAL  74          3HG1      VAL  74  -1.649  -0.125   2.452
  500   3HG1  VAL  74          1HG1      VAL  74  -0.537  -1.334   3.124
  501   1HG2  VAL  74          2HG2      VAL  74  -0.061   2.058   3.868
  502   2HG2  VAL  74          3HG2      VAL  74   0.869   1.063   4.991
  503   3HG2  VAL  74          1HG2      VAL  74   0.698   0.592   3.283
  504    H    LEU  75           HN       LEU  75  -1.621   3.596   4.542
  505    HA   LEU  75           HA       LEU  75  -3.649   3.948   2.403
  506   1HB   LEU  75          2HB       LEU  75  -3.725   5.921   3.401
  507   2HB   LEU  75          3HB       LEU  75  -2.121   5.762   4.110
  508    HG   LEU  75           HG       LEU  75  -1.210   6.285   1.834
  509   1HD1  LEU  75          1HD1      LEU  75  -3.565   5.714   0.863
  510   2HD1  LEU  75          2HD1      LEU  75  -3.997   7.359   1.244
  511   3HD1  LEU  75          3HD1      LEU  75  -2.616   7.048   0.160
  512   1HD2  LEU  75          1HD2      LEU  75  -1.657   8.029   3.756
  513   2HD2  LEU  75          2HD2      LEU  75  -1.196   8.561   2.116
  514   3HD2  LEU  75          3HD2      LEU  75  -2.862   8.671   2.640
  515    H    THR  76           HN       THR  76  -3.100   3.846   0.192
  516    HA   THR  76           HA       THR  76  -0.851   2.397  -0.552
  517    HB   THR  76           HB       THR  76  -2.243   4.218  -2.529
  518    HG1  THR  76           HG1      THR  76  -4.077   3.679  -1.842
  519   1HG2  THR  76          1HG2      THR  76  -1.601   1.235  -2.466
  520   2HG2  THR  76          2HG2      THR  76  -2.349   2.118  -3.811
  521   3HG2  THR  76          3HG2      THR  76  -0.680   2.494  -3.328
  522    H    CYS  77           HN       CYS  77  -1.527   5.906  -1.111
  523    HA   CYS  77           HA       CYS  77   0.996   6.554  -2.185
  524   1HB   CYS  77          2HB       CYS  77  -0.849   8.391  -0.720
  525   2HB   CYS  77          3HB       CYS  77   0.448   8.792  -1.838
  526    H    HIS  78           HN       HIS  78   2.947   6.689  -1.240
  527    HA   HIS  78           HA       HIS  78   4.582   7.086   0.231
  528   1HB   HIS  78          2HB       HIS  78   2.527   8.333   2.078
  529   2HB   HIS  78          3HB       HIS  78   4.265   8.398   2.232
  530    HD1  HIS  78           HND      HIS  78   5.522  10.215   0.900
  531    HD2  HIS  78           HD       HIS  78   1.472   9.740  -0.106
  532    HE1  HIS  78           HE       HIS  78   4.950  12.088  -0.749
  533    H    ALA  79           HN       ALA  79   4.525   4.683   0.154
  534    HA   ALA  79           HA       ALA  79   4.683   3.635   2.927
  535   1HB   ALA  79          1HB       ALA  79   3.237   2.338   0.579
  536   2HB   ALA  79          2HB       ALA  79   3.706   1.487   2.062
  537   3HB   ALA  79          3HB       ALA  79   2.534   2.825   2.134
  538    H    TYR  80           HN       TYR  80   6.654   2.766   3.228
  539    HA   TYR  80           HA       TYR  80   8.355   1.876   0.908
  540   1HB   TYR  80          2HB       TYR  80   9.005   2.897   3.697
  541   2HB   TYR  80          3HB       TYR  80  10.161   2.174   2.585
  542    HD1  TYR  80           HD2      TYR  80  10.657   3.227   0.392
  543    HD2  TYR  80           HD1      TYR  80   8.259   5.211   3.368
  544    HE1  TYR  80           HE2      TYR  80  10.975   5.379  -0.789
  545    HE2  TYR  80           HE1      TYR  80   8.659   7.386   2.234
  546    HH   TYR  80           HOH      TYR  80  10.697   7.645  -0.701
  547    HA   PRO  81           HA       PRO  81   7.479  -2.049   2.887
  548   1HB   PRO  81          2HB       PRO  81   8.900  -3.656   1.073
  549   2HB   PRO  81          3HB       PRO  81   7.211  -3.117   0.914
  550   1HG   PRO  81          2HG       PRO  81   9.611  -2.134  -0.577
  551   2HG   PRO  81          3HG       PRO  81   7.855  -1.971  -0.904
  552   1HD   PRO  81          2HD       PRO  81   9.543   0.023   0.134
  553   2HD   PRO  81          3HD       PRO  81   7.781   0.062  -0.129
  554    H    THR  82           HN       THR  82   8.543  -3.006   4.645
  555    HA   THR  82           HA       THR  82  11.516  -2.634   4.746
  556    HB   THR  82           HB       THR  82  11.324  -2.757   7.135
  557    HG1  THR  82           HG1      THR  82   8.697  -3.433   6.579
  558   1HG2  THR  82          2HG2      THR  82  11.210  -0.604   5.908
  559   2HG2  THR  82          3HG2      THR  82   9.439  -0.701   5.913
  560   3HG2  THR  82          1HG2      THR  82  10.316  -0.571   7.446
  561    H    SER  83           HN       SER  83   9.233  -5.120   4.217
  562    HA   SER  83           HA       SER  83  11.331  -7.028   3.995
  563   1HB   SER  83          2HB       SER  83   9.128  -7.559   6.070
  564   2HB   SER  83          3HB       SER  83  10.302  -8.758   5.514
  565    HG   SER  83           HOG      SER  83  11.628  -6.588   6.350
  566    H    ASP  84           HN       ASP  84   9.876  -9.315   3.552
  567    HA   ASP  84           HA       ASP  84   8.210  -8.781   1.283
  568   1HB   ASP  84          2HB       ASP  84   7.672 -11.210   1.580
  569   2HB   ASP  84          3HB       ASP  84   9.404 -10.874   1.444
  570    H    VAL  85           HN       VAL  85   6.089  -8.359   1.298
  571    HA   VAL  85           HA       VAL  85   4.514  -8.538   3.822
  572    HB   VAL  85           HB       VAL  85   5.044  -6.035   2.193
  573   1HG1  VAL  85          1HG1      VAL  85   2.584  -6.109   2.587
  574   2HG1  VAL  85          2HG1      VAL  85   2.944  -6.039   4.329
  575   3HG1  VAL  85          3HG1      VAL  85   3.430  -4.738   3.242
  576   1HG2  VAL  85          3HG2      VAL  85   6.185  -6.858   4.626
  577   2HG2  VAL  85          1HG2      VAL  85   6.455  -5.407   3.663
  578   3HG2  VAL  85          2HG2      VAL  85   5.168  -5.422   4.870
  579    H    VAL  86           HN       VAL  86   2.281  -8.412   3.591
  580    HA   VAL  86           HA       VAL  86   1.281  -8.985   0.854
  581    HB   VAL  86           HB       VAL  86   0.386 -10.426   3.393
  582   1HG1  VAL  86          1HG1      VAL  86  -0.256 -10.640   0.440
  583   2HG1  VAL  86          2HG1      VAL  86  -0.677 -11.931   1.587
  584   3HG1  VAL  86          3HG1      VAL  86  -1.393 -10.317   1.721
  585   1HG2  VAL  86          1HG2      VAL  86   2.234 -11.377   1.149
  586   2HG2  VAL  86          2HG2      VAL  86   2.656 -11.207   2.867
  587   3HG2  VAL  86          3HG2      VAL  86   1.497 -12.440   2.368
  588    H    ILE  87           HN       ILE  87  -0.148  -7.420   0.359
  589    HA   ILE  87           HA       ILE  87  -1.987  -6.469   2.434
  590    HB   ILE  87           HB       ILE  87  -0.440  -4.758   2.445
  591   1HG1  ILE  87          2HG1      ILE  87  -2.837  -3.989   1.711
  592   2HG1  ILE  87          3HG1      ILE  87  -1.495  -2.854   1.756
  593   1HG2  ILE  87          3HG2      ILE  87   0.002  -5.077  -0.455
  594   2HG2  ILE  87          1HG2      ILE  87   0.631  -3.705   0.496
  595   3HG2  ILE  87          2HG2      ILE  87   1.161  -5.351   0.854
  596   1HD1  ILE  87           HD1      ILE  87  -2.100  -4.362  -0.771
  597   2HD1  ILE  87           HD2      ILE  87  -2.888  -2.838  -0.395
  598   3HD1  ILE  87           HD3      ILE  87  -1.136  -2.894  -0.534
  599    H    GLU  88           HN       GLU  88  -4.039  -5.826   1.548
  600    HA   GLU  88           HA       GLU  88  -4.574  -6.691  -1.254
  601   1HB   GLU  88          2HB       GLU  88  -6.504  -5.821   0.858
  602   2HB   GLU  88          3HB       GLU  88  -6.904  -6.683  -0.649
  603   1HG   GLU  88          2HG       GLU  88  -5.952  -8.723   0.391
  604   2HG   GLU  88          3HG       GLU  88  -5.492  -7.769   1.812
  605    H    THR  89           HN       THR  89  -5.139  -5.114  -2.778
  606    HA   THR  89           HA       THR  89  -4.882  -2.271  -1.816
  607    HB   THR  89           HB       THR  89  -4.437  -1.653  -4.144
  608    HG1  THR  89           HG1      THR  89  -5.051  -4.351  -4.709
  609   1HG2  THR  89          3HG2      THR  89  -2.951  -4.194  -3.388
  610   2HG2  THR  89          1HG2      THR  89  -2.504  -3.022  -4.636
  611   3HG2  THR  89          2HG2      THR  89  -2.536  -2.527  -2.933
  612    H    HIS  90           HN       HIS  90  -6.435  -0.716  -3.096
  613    HA   HIS  90           HA       HIS  90  -8.490   0.023  -3.688
  614   1HB   HIS  90          2HB       HIS  90  -9.276  -2.887  -4.159
  615   2HB   HIS  90          3HB       HIS  90 -10.167  -1.457  -4.654
  616    HD1  HIS  90           HND      HIS  90  -6.376  -2.090  -5.257
  617    HD2  HIS  90           HD       HIS  90 -10.070  -1.825  -7.249
  618    HE1  HIS  90           HE       HIS  90  -5.847  -2.243  -7.686
  619    H    LYS  91           HN       LYS  91  -8.031   0.136  -1.093
  620    HA   LYS  91           HA       LYS  91 -10.550  -0.808   0.245
  621   1HB   LYS  91          2HB       LYS  91  -7.777  -0.450   1.438
  622   2HB   LYS  91          3HB       LYS  91  -9.179  -1.139   2.242
  623   1HG   LYS  91          2HG       LYS  91  -7.872  -2.369  -0.241
  624   2HG   LYS  91          3HG       LYS  91  -7.626  -2.888   1.418
  625   1HD   LYS  91          2HD       LYS  91  -9.785  -3.432   1.787
  626   2HD   LYS  91          3HD       LYS  91 -10.380  -2.846   0.230
  627   1HE   LYS  91          2HE       LYS  91  -9.557  -4.579  -1.015
  628   2HE   LYS  91          3HE       LYS  91  -8.247  -4.867   0.120
  629   1HZ   LYS  91          1HNZ      LYS  91  -9.816  -5.714   1.709
  630   2HZ   LYS  91          2HNZ      LYS  91 -11.081  -5.466   0.734
  631   3HZ   LYS  91          3HNZ      LYS  91  -9.830  -6.630   0.412
  632    H    GLU  92           HN       GLU  92  -9.916   1.738  -1.123
  633    HA   GLU  92           HA       GLU  92  -9.840   3.948   0.599
  634   1HB   GLU  92          2HB       GLU  92  -9.819   4.008  -1.844
  635   2HB   GLU  92          3HB       GLU  92 -11.411   3.320  -1.969
  636   1HG   GLU  92          2HG       GLU  92 -11.069   5.901  -0.431
  637   2HG   GLU  92          3HG       GLU  92 -10.960   5.932  -2.218
  638    H    GLU  93           HN       GLU  93 -12.943   2.671  -0.696
  639    HA   GLU  93           HA       GLU  93 -14.243   3.574   1.675
  640   1HB   GLU  93          2HB       GLU  93 -15.018   3.174  -0.975
  641   2HB   GLU  93          3HB       GLU  93 -15.838   1.836  -0.178
  642   1HG   GLU  93          2HG       GLU  93 -16.728   3.613   1.471
  643   2HG   GLU  93          3HG       GLU  93 -16.042   4.816   0.353
  644    H    GLU  94           HN       GLU  94 -12.352   1.636   2.369
  645    HA   GLU  94           HA       GLU  94 -14.096  -0.185   3.925
  646   1HB   GLU  94          2HB       GLU  94 -11.311  -0.871   2.868
  647   2HB   GLU  94          3HB       GLU  94 -12.108  -1.639   4.230
  648   1HG   GLU  94          2HG       GLU  94 -13.977  -2.335   2.676
  649   2HG   GLU  94          3HG       GLU  94 -12.886  -1.895   1.359
  650    H    ILE  95           HN       ILE  95 -11.185   1.989   3.776
  651    HA   ILE  95           HA       ILE  95 -10.849   1.746   6.632
  652    HB   ILE  95           HB       ILE  95  -9.046   3.276   6.380
  653   1HG1  ILE  95          2HG1      ILE  95  -9.608   3.424   3.396
  654   2HG1  ILE  95          3HG1      ILE  95 -10.106   4.666   4.570
  655   1HG2  ILE  95          1HG2      ILE  95  -8.807   0.954   5.986
  656   2HG2  ILE  95          2HG2      ILE  95  -9.040   1.087   4.235
  657   3HG2  ILE  95          3HG2      ILE  95  -7.625   1.823   5.012
  658   1HD1  ILE  95           HD1      ILE  95  -7.245   3.868   4.384
  659   2HD1  ILE  95           HD2      ILE  95  -8.013   5.131   3.384
  660   3HD1  ILE  95           HD3      ILE  95  -7.987   5.262   5.170
  661    H    VAL  96           HN       VAL  96 -12.336   4.169   4.471
  662    HA   VAL  96           HA       VAL  96 -12.688   5.976   6.787
  663    HB   VAL  96           HB       VAL  96 -13.593   7.564   5.240
  664   1HG1  VAL  96          3HG1      VAL  96 -11.066   7.314   5.526
  665   2HG1  VAL  96          1HG1      VAL  96 -11.072   6.487   3.948
  666   3HG1  VAL  96          2HG1      VAL  96 -11.616   8.154   4.067
  667   1HG2  VAL  96          2HG2      VAL  96 -14.737   6.110   3.622
  668   2HG2  VAL  96          3HG2      VAL  96 -13.607   7.203   2.804
  669   3HG2  VAL  96          1HG2      VAL  96 -13.175   5.504   3.036
   
  No H/Q in entry =         668
  Start of MODEL   18
    1   1H    ALA   1          1HN       ALA   1  15.006  -1.224   0.188
    2   2H    ALA   1          2HN       ALA   1  16.059  -0.890  -1.033
    3   2H    ALA   1          3HN       ALA   1  16.059  -0.890  -1.033
    4    HA   ALA   1           HA       ALA   1  17.430  -2.839  -0.214
    5   1HB   ALA   1          1HB       ALA   1  14.932  -3.300   1.415
    6   2HB   ALA   1          2HB       ALA   1  16.289  -4.450   1.324
    7   3HB   ALA   1          3HB       ALA   1  16.526  -2.831   2.024
    8    H    THR   2           HN       THR   2  13.938  -3.328  -0.829
    9    HA   THR   2           HA       THR   2  12.955  -3.997  -2.828
   10    HB   THR   2           HB       THR   2  15.465  -5.376  -3.630
   11    HG1  THR   2           HG1      THR   2  14.438  -2.834  -4.430
   12   1HG2  THR   2          2HG2      THR   2  12.964  -4.541  -5.168
   13   2HG2  THR   2          3HG2      THR   2  14.438  -5.213  -5.888
   14   3HG2  THR   2          1HG2      THR   2  13.461  -6.207  -4.794
   15    H    TYR   3           HN       TYR   3  11.383  -5.158  -1.987
   16    HA   TYR   3           HA       TYR   3  11.980  -7.986  -1.183
   17   1HB   TYR   3          2HB       TYR   3  10.128  -5.972   0.129
   18   2HB   TYR   3          3HB       TYR   3  10.288  -7.656   0.592
   19    HD1  TYR   3           HD2      TYR   3  12.684  -8.471   1.336
   20    HD2  TYR   3           HD1      TYR   3  11.568  -4.330   1.010
   21    HE1  TYR   3           HE2      TYR   3  14.361  -7.881   3.069
   22    HE2  TYR   3           HE1      TYR   3  13.080  -3.780   2.903
   23    HH   TYR   3           HOH      TYR   3  13.934  -5.023   4.847
   24    H    ASN   4           HN       ASN   4  10.281  -9.427  -1.276
   25    HA   ASN   4           HA       ASN   4   8.445  -9.445  -3.428
   26   1HB   ASN   4          2HB       ASN   4   9.446 -11.470  -2.558
   27   2HB   ASN   4          3HB       ASN   4   8.987 -11.067  -0.904
   28   1HD2  ASN   4          2HND      ASN   4   5.658 -12.010  -3.065
   29   2HD2  ASN   4          1HND      ASN   4   6.715 -10.667  -3.561
   30    H    VAL   5           HN       VAL   5   6.979  -7.717  -3.294
   31    HA   VAL   5           HA       VAL   5   5.240  -7.660  -0.843
   32    HB   VAL   5           HB       VAL   5   5.477  -5.586  -3.017
   33   1HG1  VAL   5          3HG1      VAL   5   3.847  -5.763  -0.427
   34   2HG1  VAL   5          1HG1      VAL   5   4.083  -4.271  -1.344
   35   3HG1  VAL   5          2HG1      VAL   5   3.220  -5.624  -2.082
   36   1HG2  VAL   5          3HG2      VAL   5   6.463  -5.692  -0.111
   37   2HG2  VAL   5          1HG2      VAL   5   7.475  -5.551  -1.564
   38   3HG2  VAL   5          2HG2      VAL   5   6.405  -4.219  -1.093
   39    H    LYS   6           HN       LYS   6   3.449  -8.975  -1.062
   40    HA   LYS   6           HA       LYS   6   2.249  -9.302  -3.720
   41   1HB   LYS   6          2HB       LYS   6   2.392 -11.166  -2.127
   42   2HB   LYS   6          3HB       LYS   6   1.270 -10.289  -1.059
   43   1HG   LYS   6          2HG       LYS   6  -0.344 -10.123  -3.071
   44   2HG   LYS   6          3HG       LYS   6   0.781 -11.157  -3.957
   45   1HD   LYS   6          2HD       LYS   6  -0.661 -11.846  -1.347
   46   2HD   LYS   6          3HD       LYS   6  -1.126 -12.281  -2.974
   47   1HE   LYS   6          2HE       LYS   6   1.384 -13.218  -3.121
   48   2HE   LYS   6          3HE       LYS   6   1.271 -13.223  -1.368
   49   1HZ   LYS   6          3HNZ      LYS   6  -0.723 -14.457  -3.219
   50   2HZ   LYS   6          1HNZ      LYS   6   0.533 -15.319  -2.564
   51   3HZ   LYS   6          2HNZ      LYS   6  -0.659 -14.691  -1.601
   52    H    LEU   7           HN       LEU   7   0.691  -8.136  -4.530
   53    HA   LEU   7           HA       LEU   7  -1.001  -6.465  -2.759
   54   1HB   LEU   7          2HB       LEU   7  -0.324  -6.088  -5.692
   55   2HB   LEU   7          3HB       LEU   7  -1.364  -5.051  -4.735
   56    HG   LEU   7           HG       LEU   7   1.631  -5.474  -4.458
   57   1HD1  LEU   7          1HD1      LEU   7  -0.085  -3.141  -5.347
   58   2HD1  LEU   7          2HD1      LEU   7   1.658  -3.011  -5.013
   59   3HD1  LEU   7          3HD1      LEU   7   1.086  -4.066  -6.305
   60   1HD2  LEU   7          2HD2      LEU   7  -0.285  -3.885  -2.707
   61   2HD2  LEU   7          3HD2      LEU   7   0.873  -5.168  -2.261
   62   3HD2  LEU   7          1HD2      LEU   7   1.465  -3.592  -2.760
   63    H    ILE   8           HN       ILE   8  -2.711  -7.631  -2.234
   64    HA   ILE   8           HA       ILE   8  -3.904  -9.510  -4.166
   65    HB   ILE   8           HB       ILE   8  -4.605  -8.641  -1.364
   66   1HG1  ILE   8          2HG1      ILE   8  -3.736 -11.404  -2.154
   67   2HG1  ILE   8          3HG1      ILE   8  -2.524 -10.144  -1.873
   68   1HG2  ILE   8          1HG2      ILE   8  -5.898 -10.792  -3.102
   69   2HG2  ILE   8          2HG2      ILE   8  -6.243 -10.527  -1.382
   70   3HG2  ILE   8          3HG2      ILE   8  -6.680  -9.294  -2.559
   71   1HD1  ILE   8           HD1      ILE   8  -4.623 -10.964   0.163
   72   2HD1  ILE   8           HD2      ILE   8  -2.919 -11.457   0.151
   73   3HD1  ILE   8           HD3      ILE   8  -3.339  -9.743   0.360
   74    H    THR   9           HN       THR   9  -4.232  -8.063  -5.855
   75    HA   THR   9           HA       THR   9  -6.056  -5.825  -5.490
   76    HB   THR   9           HB       THR   9  -5.737  -5.577  -7.883
   77    HG1  THR   9           HG1      THR   9  -5.439  -7.950  -8.254
   78   1HG2  THR   9          2HG2      THR   9  -3.814  -5.142  -5.954
   79   2HG2  THR   9          3HG2      THR   9  -2.942  -6.263  -7.000
   80   3HG2  THR   9          1HG2      THR   9  -3.567  -4.733  -7.663
   81    HA   PRO  10           HA       PRO  10  -9.825  -7.985  -6.119
   82   1HB   PRO  10          2HB       PRO  10 -10.642  -6.163  -8.285
   83   2HB   PRO  10          3HB       PRO  10 -11.446  -6.524  -6.720
   84   1HG   PRO  10          2HG       PRO  10 -10.097  -4.255  -7.316
   85   2HG   PRO  10          3HG       PRO  10 -10.169  -4.868  -5.646
   86   1HD   PRO  10          2HD       PRO  10  -7.926  -4.891  -7.508
   87   2HD   PRO  10          3HD       PRO  10  -7.944  -4.934  -5.766
   88    H    ASP  11           HN       ASP  11  -8.121  -7.057  -9.082
   89    HA   ASP  11           HA       ASP  11  -9.011  -8.682 -11.105
   90   1HB   ASP  11          2HB       ASP  11  -6.240  -7.725 -10.230
   91   2HB   ASP  11          3HB       ASP  11  -6.499  -8.591 -11.727
   92    H    GLY  12           HN       GLY  12  -6.981  -9.429  -8.358
   93   1HA   GLY  12          2HA       GLY  12  -7.249 -11.471  -7.356
   94   2HA   GLY  12          3HA       GLY  12  -7.116 -12.360  -8.896
   95    H    GLU  13           HN       GLU  13  -5.312  -9.976  -6.974
   96    HA   GLU  13           HA       GLU  13  -3.205  -9.775  -6.210
   97   1HB   GLU  13          2HB       GLU  13  -2.962 -12.652  -7.018
   98   2HB   GLU  13          3HB       GLU  13  -1.703 -11.761  -6.189
   99   1HG   GLU  13          2HG       GLU  13  -2.928 -11.562  -4.210
  100   2HG   GLU  13          3HG       GLU  13  -4.455 -12.032  -4.973
  101    H    VAL  14           HN       VAL  14  -1.003  -9.506  -6.879
  102    HA   VAL  14           HA       VAL  14  -0.374 -10.032  -9.743
  103    HB   VAL  14           HB       VAL  14   0.728  -7.802  -9.937
  104   1HG1  VAL  14          3HG1      VAL  14  -1.562  -8.312 -10.872
  105   2HG1  VAL  14          1HG1      VAL  14  -2.251  -7.619  -9.380
  106   3HG1  VAL  14          2HG1      VAL  14  -1.306  -6.601 -10.479
  107   1HG2  VAL  14          1HG2      VAL  14  -0.833  -7.218  -7.405
  108   2HG2  VAL  14          2HG2      VAL  14   0.921  -6.977  -7.649
  109   3HG2  VAL  14          3HG2      VAL  14  -0.246  -5.965  -8.486
  110    H    GLU  15           HN       GLU  15   1.025  -8.680  -6.807
  111    HA   GLU  15           HA       GLU  15   2.884  -9.023  -5.664
  112   1HB   GLU  15          2HB       GLU  15   2.159 -11.541  -6.010
  113   2HB   GLU  15          3HB       GLU  15   3.517 -11.585  -7.146
  114   1HG   GLU  15          2HG       GLU  15   5.093 -11.047  -5.409
  115   2HG   GLU  15          3HG       GLU  15   3.800 -10.666  -4.263
  116    H    PHE  16           HN       PHE  16   4.956  -8.331  -5.688
  117    HA   PHE  16           HA       PHE  16   6.533  -8.274  -8.109
  118   1HB   PHE  16          2HB       PHE  16   6.328  -6.185  -8.868
  119   2HB   PHE  16          3HB       PHE  16   4.704  -6.679  -8.644
  120    HD1  PHE  16           HD1      PHE  16   3.818  -6.141  -6.062
  121    HD2  PHE  16           HD2      PHE  16   7.051  -4.106  -8.067
  122    HE1  PHE  16           HE1      PHE  16   3.705  -4.331  -4.469
  123    HE2  PHE  16           HE2      PHE  16   6.751  -2.199  -6.636
  124    HZ   PHE  16           HZ       PHE  16   4.951  -2.173  -4.887
  125    H    LYS  17           HN       LYS  17   8.355  -6.445  -7.832
  126    HA   LYS  17           HA       LYS  17   9.389  -6.899  -5.063
  127   1HB   LYS  17          2HB       LYS  17  10.704  -7.017  -7.690
  128   2HB   LYS  17          3HB       LYS  17  11.500  -5.950  -6.558
  129   1HG   LYS  17          2HG       LYS  17  12.481  -8.155  -6.244
  130   2HG   LYS  17          3HG       LYS  17  11.600  -7.612  -4.822
  131   1HD   LYS  17          2HD       LYS  17  10.825  -9.743  -4.880
  132   2HD   LYS  17          3HD       LYS  17   9.583  -8.947  -5.828
  133   1HE   LYS  17          2HE       LYS  17  11.962 -10.527  -6.915
  134   2HE   LYS  17          3HE       LYS  17  10.276 -11.062  -6.874
  135   1HZ   LYS  17          1HNZ      LYS  17   9.745  -9.210  -8.361
  136   2HZ   LYS  17          2HNZ      LYS  17  11.329  -8.798  -8.438
  137   3HZ   LYS  17          3HNZ      LYS  17  10.832 -10.244  -9.038
  138    H    CYS  18           HN       CYS  18   9.344  -5.222  -3.760
  139    HA   CYS  18           HA       CYS  18   9.215  -2.461  -4.975
  140   1HB   CYS  18          2HB       CYS  18   7.075  -3.308  -3.961
  141   2HB   CYS  18          3HB       CYS  18   7.944  -3.290  -2.424
  142    HG   CYS  18           HSG      CYS  18   7.611  -0.871  -4.695
  143    H    ASP  19           HN       ASP  19  10.855  -1.197  -4.468
  144    HA   ASP  19           HA       ASP  19  12.951  -1.960  -2.652
  145   1HB   ASP  19          2HB       ASP  19  12.385   0.712  -3.941
  146   2HB   ASP  19          3HB       ASP  19  13.838   0.237  -3.106
  147    H    ASP  20           HN       ASP  20  13.133  -1.536  -0.565
  148    HA   ASP  20           HA       ASP  20  11.121  -0.363   1.126
  149   1HB   ASP  20          2HB       ASP  20  13.031  -1.685   2.019
  150   2HB   ASP  20          3HB       ASP  20  14.116  -0.340   1.624
  151    H    ASP  21           HN       ASP  21  13.684   0.898  -0.884
  152    HA   ASP  21           HA       ASP  21  13.770   3.498   0.122
  153   1HB   ASP  21          2HB       ASP  21  14.486   2.666  -2.712
  154   2HB   ASP  21          3HB       ASP  21  15.239   3.883  -1.675
  155    H    VAL  22           HN       VAL  22  11.252   1.989  -1.729
  156    HA   VAL  22           HA       VAL  22  10.389   4.561  -2.931
  157    HB   VAL  22           HB       VAL  22  11.677   2.836  -4.447
  158   1HG1  VAL  22          1HG1      VAL  22  10.108   0.888  -3.794
  159   2HG1  VAL  22          2HG1      VAL  22   8.888   1.671  -4.793
  160   3HG1  VAL  22          3HG1      VAL  22  10.422   1.147  -5.510
  161   1HG2  VAL  22          1HG2      VAL  22  10.551   4.890  -5.240
  162   2HG2  VAL  22          2HG2      VAL  22  10.346   3.535  -6.375
  163   3HG2  VAL  22          3HG2      VAL  22   9.013   4.001  -5.304
  164    H    TYR  23           HN       TYR  23   8.106   4.587  -3.595
  165    HA   TYR  23           HA       TYR  23   6.492   3.493  -1.498
  166   1HB   TYR  23          2HB       TYR  23   5.647   4.923  -4.026
  167   2HB   TYR  23          3HB       TYR  23   4.634   4.598  -2.624
  168    HD1  TYR  23           HD2      TYR  23   6.057   5.342  -0.274
  169    HD2  TYR  23           HD1      TYR  23   6.133   7.219  -4.162
  170    HE1  TYR  23           HE2      TYR  23   6.486   7.533   0.782
  171    HE2  TYR  23           HE1      TYR  23   6.681   9.379  -3.101
  172    HH   TYR  23           HOH      TYR  23   7.335  10.411  -1.020
  173    H    VAL  24           HN       VAL  24   4.861   1.954  -1.593
  174    HA   VAL  24           HA       VAL  24   5.056  -0.108  -3.654
  175    HB   VAL  24           HB       VAL  24   2.829   0.129  -1.615
  176   1HG1  VAL  24          2HG1      VAL  24   2.928  -1.746  -3.368
  177   2HG1  VAL  24          3HG1      VAL  24   4.460  -2.247  -2.607
  178   3HG1  VAL  24          1HG1      VAL  24   2.946  -2.295  -1.673
  179   1HG2  VAL  24          3HG2      VAL  24   5.674  -0.705  -1.078
  180   2HG2  VAL  24          1HG2      VAL  24   4.673   0.443  -0.159
  181   3HG2  VAL  24          2HG2      VAL  24   4.317  -1.277  -0.080
  182    H    LEU  25           HN       LEU  25   4.685   1.734  -5.176
  183    HA   LEU  25           HA       LEU  25   2.132   1.414  -6.511
  184   1HB   LEU  25          2HB       LEU  25   1.282   3.092  -5.047
  185   2HB   LEU  25          3HB       LEU  25   2.817   3.979  -5.026
  186    HG   LEU  25           HG       LEU  25   2.428   4.652  -7.424
  187   1HD1  LEU  25          3HD1      LEU  25  -0.284   3.363  -6.954
  188   2HD1  LEU  25          1HD1      LEU  25   0.189   4.314  -8.381
  189   3HD1  LEU  25          2HD1      LEU  25   0.945   2.747  -8.078
  190   1HD2  LEU  25          3HD2      LEU  25   1.804   6.095  -5.518
  191   2HD2  LEU  25          1HD2      LEU  25   0.750   6.302  -6.924
  192   3HD2  LEU  25          2HD2      LEU  25   0.182   5.369  -5.515
  193    H    ASP  26           HN       ASP  26   4.798   3.692  -6.106
  194    HA   ASP  26           HA       ASP  26   5.106   4.544  -8.700
  195   1HB   ASP  26          2HB       ASP  26   6.329   5.111  -6.377
  196   2HB   ASP  26          3HB       ASP  26   7.592   4.079  -7.046
  197    H    GLN  27           HN       GLN  27   7.038   1.949  -7.165
  198    HA   GLN  27           HA       GLN  27   8.129   1.036  -9.644
  199   1HB   GLN  27          2HB       GLN  27   9.308   1.022  -7.559
  200   2HB   GLN  27          3HB       GLN  27   8.159  -0.104  -6.815
  201   1HG   GLN  27          2HG       GLN  27   8.903  -1.902  -8.076
  202   2HG   GLN  27          3HG       GLN  27   9.554  -0.873  -9.369
  203   1HE2  GLN  27          2HNE      GLN  27  12.084  -1.989  -6.394
  204   2HE2  GLN  27          1HNE      GLN  27  10.530  -2.774  -6.753
  205    H    ALA  28           HN       ALA  28   5.101   0.439  -8.095
  206    HA   ALA  28           HA       ALA  28   4.653  -2.311  -9.019
  207   1HB   ALA  28          2HB       ALA  28   3.469  -0.848  -7.105
  208   2HB   ALA  28          3HB       ALA  28   2.419  -0.398  -8.476
  209   3HB   ALA  28          1HB       ALA  28   2.621  -2.099  -8.006
  210    H    GLU  29           HN       GLU  29   3.651   1.007 -10.002
  211    HA   GLU  29           HA       GLU  29   2.393   0.317 -12.405
  212   1HB   GLU  29          2HB       GLU  29   3.897   2.852 -11.609
  213   2HB   GLU  29          3HB       GLU  29   2.927   2.688 -13.082
  214   1HG   GLU  29          2HG       GLU  29   0.923   2.154 -11.747
  215   2HG   GLU  29          3HG       GLU  29   1.855   2.307 -10.254
  216    H    GLU  30           HN       GLU  30   5.886   0.993 -11.759
  217    HA   GLU  30           HA       GLU  30   6.831   0.603 -14.377
  218   1HB   GLU  30          2HB       GLU  30   8.188  -0.138 -11.785
  219   2HB   GLU  30          3HB       GLU  30   8.975  -0.088 -13.357
  220   1HG   GLU  30          2HG       GLU  30   7.566   2.406 -12.350
  221   2HG   GLU  30          3HG       GLU  30   9.168   1.969 -11.756
  222    H    GLU  31           HN       GLU  31   5.901  -1.946 -12.075
  223    HA   GLU  31           HA       GLU  31   6.861  -4.015 -13.928
  224   1HB   GLU  31          2HB       GLU  31   5.008  -4.343 -11.554
  225   2HB   GLU  31          3HB       GLU  31   5.986  -5.579 -12.357
  226   1HG   GLU  31          2HG       GLU  31   7.699  -3.375 -11.608
  227   2HG   GLU  31          3HG       GLU  31   6.669  -3.710 -10.263
  228    H    GLY  32           HN       GLY  32   4.032  -2.154 -13.372
  229   1HA   GLY  32          2HA       GLY  32   2.577  -1.826 -15.333
  230   2HA   GLY  32          3HA       GLY  32   2.491  -3.580 -15.531
  231    H    ILE  33           HN       ILE  33   2.519  -2.631 -12.200
  232    HA   ILE  33           HA       ILE  33  -0.198  -3.643 -11.946
  233    HB   ILE  33           HB       ILE  33   1.665  -2.433  -9.904
  234   1HG1  ILE  33          2HG1      ILE  33   1.097  -5.306 -10.665
  235   2HG1  ILE  33          3HG1      ILE  33   2.593  -4.415 -11.042
  236   1HG2  ILE  33          1HG2      ILE  33  -0.900  -4.058  -9.596
  237   2HG2  ILE  33          2HG2      ILE  33   0.163  -3.593  -8.252
  238   3HG2  ILE  33          3HG2      ILE  33  -0.680  -2.362  -9.140
  239   1HD1  ILE  33           HD2      ILE  33   1.824  -4.930  -8.179
  240   2HD1  ILE  33           HD3      ILE  33   2.799  -5.988  -9.183
  241   3HD1  ILE  33           HD1      ILE  33   3.337  -4.318  -8.861
  242    H    ASP  34           HN       ASP  34  -2.036  -2.556 -11.841
  243    HA   ASP  34           HA       ASP  34  -2.117   0.398 -11.543
  244   1HB   ASP  34          2HB       ASP  34  -3.491  -0.692 -13.261
  245   2HB   ASP  34          3HB       ASP  34  -4.330  -1.640 -12.013
  246    H    ILE  35           HN       ILE  35  -2.391   1.270  -9.470
  247    HA   ILE  35           HA       ILE  35  -3.899  -0.248  -7.493
  248    HB   ILE  35           HB       ILE  35  -1.608   1.624  -7.155
  249   1HG1  ILE  35          2HG1      ILE  35  -1.735  -1.387  -6.801
  250   2HG1  ILE  35          3HG1      ILE  35  -0.635  -0.433  -7.816
  251   1HG2  ILE  35          1HG2      ILE  35  -3.147   2.015  -5.447
  252   2HG2  ILE  35          2HG2      ILE  35  -3.045   0.294  -4.922
  253   3HG2  ILE  35          3HG2      ILE  35  -1.651   1.392  -4.799
  254   1HD1  ILE  35           HD3      ILE  35   0.267   0.575  -5.636
  255   2HD1  ILE  35           HD1      ILE  35  -0.571  -0.761  -4.814
  256   3HD1  ILE  35           HD2      ILE  35   0.705  -1.090  -6.008
  257    HA   PRO  36           HA       PRO  36  -6.246   3.399  -8.421
  258   1HB   PRO  36          2HB       PRO  36  -7.995   3.564  -6.275
  259   2HB   PRO  36          3HB       PRO  36  -8.019   2.320  -7.549
  260   1HG   PRO  36          2HG       PRO  36  -6.927   2.044  -4.760
  261   2HG   PRO  36          3HG       PRO  36  -7.829   0.890  -5.770
  262   1HD   PRO  36          2HD       PRO  36  -5.079   0.961  -5.417
  263   2HD   PRO  36          3HD       PRO  36  -5.821   0.244  -6.857
  264    H    TYR  37           HN       TYR  37  -4.008   4.475  -8.044
  265    HA   TYR  37           HA       TYR  37  -3.351   5.641  -5.614
  266   1HB   TYR  37          2HB       TYR  37  -1.530   6.628  -6.704
  267   2HB   TYR  37          3HB       TYR  37  -1.805   5.037  -7.419
  268    HD1  TYR  37           HD1      TYR  37  -1.868   8.675  -7.945
  269    HD2  TYR  37           HD2      TYR  37  -2.573   4.850  -9.796
  270    HE1  TYR  37           HE1      TYR  37  -2.333   9.807 -10.083
  271    HE2  TYR  37           HE2      TYR  37  -2.999   5.979 -11.957
  272    HH   TYR  37           HOH      TYR  37  -2.970   9.547 -12.262
  273    H    SER  38           HN       SER  38  -5.215   7.068  -8.255
  274    HA   SER  38           HA       SER  38  -6.366   9.029  -8.431
  275   1HB   SER  38          2HB       SER  38  -7.556   8.063  -6.577
  276   2HB   SER  38          3HB       SER  38  -6.388   8.667  -5.403
  277    HG   SER  38           HOG      SER  38  -7.154  10.627  -5.571
  278    H    CYS  39           HN       CYS  39  -4.657   9.894  -5.458
  279    HA   CYS  39           HA       CYS  39  -3.871  12.537  -6.553
  280   1HB   CYS  39          2HB       CYS  39  -3.862  12.978  -3.929
  281   2HB   CYS  39          3HB       CYS  39  -5.281  13.040  -4.944
  282    H    ARG  40           HN       ARG  40  -1.932  12.962  -4.369
  283    HA   ARG  40           HA       ARG  40  -0.225  10.755  -4.089
  284   1HB   ARG  40          2HB       ARG  40   0.238  11.312  -6.610
  285   2HB   ARG  40          3HB       ARG  40   1.177  12.627  -5.968
  286   1HG   ARG  40          2HG       ARG  40   1.919  10.359  -4.379
  287   2HG   ARG  40          3HG       ARG  40   1.624   9.682  -5.978
  288   1HD   ARG  40          2HD       ARG  40   3.956  10.290  -5.702
  289   2HD   ARG  40          3HD       ARG  40   3.221  11.363  -6.925
  290    HE   ARG  40           HNE      ARG  40   2.867  12.622  -4.444
  291   1HH1  ARG  40          2HN2      ARG  40   5.591  11.663  -6.440
  292   2HH1  ARG  40          1HN2      ARG  40   6.679  12.893  -5.867
  293   1HH2  ARG  40          2HN1      ARG  40   4.215  14.223  -3.622
  294   2HH2  ARG  40          1HN1      ARG  40   5.854  14.422  -4.176
  295    H    ALA  41           HN       ALA  41  -1.033  12.227  -2.067
  296    HA   ALA  41           HA       ALA  41   1.373  13.828  -1.288
  297   1HB   ALA  41          3HB       ALA  41  -0.291  15.365  -2.286
  298   2HB   ALA  41          1HB       ALA  41  -1.489  14.826  -1.089
  299   3HB   ALA  41          2HB       ALA  41  -0.023  15.685  -0.564
  300    H    GLY  42           HN       GLY  42  -0.268  11.212  -0.335
  301   1HA   GLY  42          2HA       GLY  42  -0.389  10.109   1.629
  302   2HA   GLY  42          3HA       GLY  42   0.628  11.298   2.422
  303    H    SER  43           HN       SER  43  -0.710  13.563   2.675
  304    HA   SER  43           HA       SER  43  -2.934  12.913   4.456
  305   1HB   SER  43          2HB       SER  43  -2.891  15.422   4.798
  306   2HB   SER  43          3HB       SER  43  -1.404  14.567   5.217
  307    HG   SER  43           HOG      SER  43  -1.894  15.817   2.722
  308    H    CYS  44           HN       CYS  44  -4.006  11.928   2.417
  309    HA   CYS  44           HA       CYS  44  -6.057  13.724   1.385
  310   1HB   CYS  44          2HB       CYS  44  -5.403  12.986  -0.954
  311   2HB   CYS  44          3HB       CYS  44  -4.398  14.183  -0.154
  312    H    SER  45           HN       SER  45  -7.841  12.462   0.626
  313    HA   SER  45           HA       SER  45  -7.942   9.904   2.121
  314   1HB   SER  45          2HB       SER  45 -10.179  11.696   1.121
  315   2HB   SER  45          3HB       SER  45 -10.330  10.276   2.167
  316    HG   SER  45           HOG      SER  45 -10.271  12.144   3.430
  317    H    SER  46           HN       SER  46  -6.963   8.540   0.356
  318    HA   SER  46           HA       SER  46  -9.194   7.317  -0.873
  319   1HB   SER  46          2HB       SER  46  -8.583   7.429  -3.258
  320   2HB   SER  46          3HB       SER  46  -8.820   9.037  -2.628
  321    HG   SER  46           HOG      SER  46  -6.236   7.855  -2.816
  322    H    CYS  47           HN       CYS  47  -7.311   6.006  -2.933
  323    HA   CYS  47           HA       CYS  47  -6.043   4.188  -3.140
  324   1HB   CYS  47          2HB       CYS  47  -4.558   5.758  -1.045
  325   2HB   CYS  47          3HB       CYS  47  -3.824   4.555  -2.117
  326    H    ALA  48           HN       ALA  48  -4.519   4.005  -0.223
  327    HA   ALA  48           HA       ALA  48  -4.408   2.683   1.508
  328   1HB   ALA  48          2HB       ALA  48  -6.378   3.932   2.141
  329   2HB   ALA  48          3HB       ALA  48  -7.435   2.703   1.428
  330   3HB   ALA  48          1HB       ALA  48  -6.413   2.287   2.819
  331    H    GLY  49           HN       GLY  49  -4.302   0.605   2.318
  332   1HA   GLY  49          2HA       GLY  49  -5.634  -1.521   0.820
  333   2HA   GLY  49          3HA       GLY  49  -3.869  -1.531   0.835
  334    H    LYS  50           HN       LYS  50  -5.471  -3.590   1.916
  335    HA   LYS  50           HA       LYS  50  -5.422  -3.229   4.795
  336   1HB   LYS  50          2HB       LYS  50  -7.271  -4.255   3.213
  337   2HB   LYS  50          3HB       LYS  50  -6.385  -5.756   3.413
  338   1HG   LYS  50          2HG       LYS  50  -6.825  -5.846   5.750
  339   2HG   LYS  50          3HG       LYS  50  -7.099  -4.098   5.844
  340   1HD   LYS  50          2HD       LYS  50  -9.077  -4.431   4.266
  341   2HD   LYS  50          3HD       LYS  50  -8.975  -6.156   4.655
  342   1HE   LYS  50          2HE       LYS  50  -9.319  -5.665   7.050
  343   2HE   LYS  50          3HE       LYS  50  -9.115  -3.961   6.796
  344   1HZ   LYS  50          1HNZ      LYS  50 -11.367  -5.397   5.555
  345   2HZ   LYS  50          2HNZ      LYS  50 -11.466  -4.437   6.908
  346   3HZ   LYS  50          3HNZ      LYS  50 -11.093  -3.835   5.429
  347    H    VAL  51           HN       VAL  51  -3.595  -3.780   5.840
  348    HA   VAL  51           HA       VAL  51  -1.439  -5.338   4.699
  349    HB   VAL  51           HB       VAL  51  -2.020  -4.516   7.608
  350   1HG1  VAL  51          2HG1      VAL  51  -0.272  -6.254   7.422
  351   2HG1  VAL  51          3HG1      VAL  51   0.639  -5.226   6.275
  352   3HG1  VAL  51          1HG1      VAL  51   0.382  -4.706   7.964
  353   1HG2  VAL  51          2HG2      VAL  51  -1.922  -2.513   6.173
  354   2HG2  VAL  51          3HG2      VAL  51  -0.536  -2.570   7.262
  355   3HG2  VAL  51          1HG2      VAL  51  -0.335  -3.043   5.558
  356    H    VAL  52           HN       VAL  52  -1.755  -7.461   4.318
  357    HA   VAL  52           HA       VAL  52  -3.584  -9.074   5.987
  358    HB   VAL  52           HB       VAL  52  -1.820  -9.723   3.605
  359   1HG1  VAL  52          1HG1      VAL  52  -3.932 -11.435   4.995
  360   2HG1  VAL  52          2HG1      VAL  52  -3.147 -11.827   3.451
  361   3HG1  VAL  52          3HG1      VAL  52  -2.187 -11.776   4.931
  362   1HG2  VAL  52          2HG2      VAL  52  -4.774  -9.088   3.907
  363   2HG2  VAL  52          3HG2      VAL  52  -3.551  -8.294   2.886
  364   3HG2  VAL  52          1HG2      VAL  52  -4.122  -9.920   2.490
  365    H    SER  53           HN       SER  53  -0.091  -8.555   5.444
  366    HA   SER  53           HA       SER  53   0.510  -9.585   8.076
  367   1HB   SER  53          2HB       SER  53   0.387 -11.705   6.719
  368   2HB   SER  53          3HB       SER  53   1.671 -11.075   5.671
  369    HG   SER  53           HOG      SER  53   2.402 -12.448   7.438
  370    H    GLY  54           HN       GLY  54   3.263  -9.863   7.676
  371   1HA   GLY  54          2HA       GLY  54   5.252  -8.738   7.114
  372   2HA   GLY  54          3HA       GLY  54   4.304  -7.869   5.916
  373    H    SER  55           HN       SER  55   5.996  -6.133   6.696
  374    HA   SER  55           HA       SER  55   4.537  -4.320   8.426
  375   1HB   SER  55          2HB       SER  55   7.318  -4.223   9.217
  376   2HB   SER  55          3HB       SER  55   5.871  -4.360  10.220
  377    HG   SER  55           HOG      SER  55   7.242  -6.519   8.991
  378    H    ILE  56           HN       ILE  56   4.759  -2.267   7.493
  379    HA   ILE  56           HA       ILE  56   7.094  -1.657   5.854
  380    HB   ILE  56           HB       ILE  56   5.705  -0.875   4.036
  381   1HG1  ILE  56          2HG1      ILE  56   3.294  -1.849   5.589
  382   2HG1  ILE  56          3HG1      ILE  56   3.717  -0.189   5.176
  383   1HG2  ILE  56          1HG2      ILE  56   6.352  -3.410   4.263
  384   2HG2  ILE  56          2HG2      ILE  56   4.639  -3.590   4.665
  385   3HG2  ILE  56          3HG2      ILE  56   5.120  -2.999   3.063
  386   1HD1  ILE  56           HD3      ILE  56   3.761  -1.198   2.664
  387   2HD1  ILE  56           HD1      ILE  56   2.737  -2.447   3.393
  388   3HD1  ILE  56           HD2      ILE  56   2.221  -0.758   3.379
  389    H    ASP  57           HN       ASP  57   7.262   0.714   5.645
  390    HA   ASP  57           HA       ASP  57   6.165   2.025   8.091
  391   1HB   ASP  57          2HB       ASP  57   8.626   1.826   8.002
  392   2HB   ASP  57          3HB       ASP  57   8.642   2.686   6.448
  393    H    GLN  58           HN       GLN  58   4.396   3.135   7.531
  394    HA   GLN  58           HA       GLN  58   4.396   4.742   5.008
  395   1HB   GLN  58          2HB       GLN  58   1.930   4.849   5.474
  396   2HB   GLN  58          3HB       GLN  58   2.544   3.249   5.070
  397   1HG   GLN  58          2HG       GLN  58   2.423   2.511   7.312
  398   2HG   GLN  58          3HG       GLN  58   2.300   4.158   7.945
  399   1HE2  GLN  58          2HNE      GLN  58  -1.012   2.503   8.115
  400   2HE2  GLN  58          1HNE      GLN  58   0.606   2.143   8.676
  401    H    SER  59           HN       SER  59   6.109   5.632   7.187
  402    HA   SER  59           HA       SER  59   4.929   7.522   8.847
  403   1HB   SER  59          2HB       SER  59   7.555   7.679   7.302
  404   2HB   SER  59          3HB       SER  59   7.076   8.812   8.578
  405    HG   SER  59           HOG      SER  59   7.556   6.033   8.780
  406    H    ASP  60           HN       ASP  60   5.559   7.774   5.380
  407    HA   ASP  60           HA       ASP  60   4.914  10.591   5.186
  408   1HB   ASP  60          2HB       ASP  60   5.249   8.414   3.084
  409   2HB   ASP  60          3HB       ASP  60   4.989  10.133   2.730
  410    H    GLN  61           HN       GLN  61   2.827   8.203   5.994
  411    HA   GLN  61           HA       GLN  61   0.629   8.490   4.340
  412   1HB   GLN  61          2HB       GLN  61  -0.691   7.618   6.215
  413   2HB   GLN  61          3HB       GLN  61   0.804   6.733   5.992
  414   1HG   GLN  61          2HG       GLN  61   1.724   8.357   7.915
  415   2HG   GLN  61          3HG       GLN  61   0.003   8.593   8.255
  416   1HE2  GLN  61          2HNE      GLN  61  -0.358   5.008   9.083
  417   2HE2  GLN  61          1HNE      GLN  61  -1.088   6.082   7.901
  418    H    SER  62           HN       SER  62   1.271  10.263   7.404
  419    HA   SER  62           HA       SER  62  -0.124  11.709   8.522
  420   1HB   SER  62          2HB       SER  62   0.324  13.172   5.895
  421   2HB   SER  62          3HB       SER  62  -0.076  13.929   7.455
  422    HG   SER  62           HOG      SER  62   1.905  12.892   8.246
  423    H    PHE  63           HN       PHE  63  -1.793   9.724   7.403
  424    HA   PHE  63           HA       PHE  63  -4.308  11.228   7.027
  425   1HB   PHE  63          2HB       PHE  63  -3.898  10.944   4.770
  426   2HB   PHE  63          3HB       PHE  63  -3.095   9.393   4.980
  427    HD1  PHE  63           HD2      PHE  63  -6.522  10.338   6.320
  428    HD2  PHE  63           HD1      PHE  63  -4.296   8.334   3.215
  429    HE1  PHE  63           HE2      PHE  63  -8.541   9.123   5.645
  430    HE2  PHE  63           HE1      PHE  63  -6.296   7.052   2.600
  431    HZ   PHE  63           HZ       PHE  63  -8.470   7.528   3.742
  432    H    LEU  64           HN       LEU  64  -3.294   7.714   6.807
  433    HA   LEU  64           HA       LEU  64  -5.671   6.899   7.914
  434   1HB   LEU  64          2HB       LEU  64  -2.994   5.494   8.031
  435   2HB   LEU  64          3HB       LEU  64  -4.446   4.836   8.754
  436    HG   LEU  64           HG       LEU  64  -5.581   5.047   6.471
  437   1HD1  LEU  64          1HD1      LEU  64  -2.647   5.286   5.651
  438   2HD1  LEU  64          2HD1      LEU  64  -3.991   4.864   4.564
  439   3HD1  LEU  64          3HD1      LEU  64  -3.944   6.464   5.329
  440   1HD2  LEU  64          2HD2      LEU  64  -3.245   3.152   6.933
  441   2HD2  LEU  64          3HD2      LEU  64  -4.910   2.955   7.520
  442   3HD2  LEU  64          1HD2      LEU  64  -4.576   2.885   5.778
  443    H    ASP  65           HN       ASP  65  -6.424   6.379   9.972
  444    HA   ASP  65           HA       ASP  65  -4.972   7.627  12.244
  445   1HB   ASP  65          2HB       ASP  65  -7.773   6.504  11.973
  446   2HB   ASP  65          3HB       ASP  65  -7.085   7.043  13.507
  447    H    ASP  66           HN       ASP  66  -4.999   6.442  14.291
  448    HA   ASP  66           HA       ASP  66  -3.311   4.181  14.180
  449   1HB   ASP  66          2HB       ASP  66  -5.008   5.434  16.384
  450   2HB   ASP  66          3HB       ASP  66  -4.089   3.949  16.647
  451    H    GLU  67           HN       GLU  67  -6.803   4.530  14.630
  452    HA   GLU  67           HA       GLU  67  -7.535   1.926  15.199
  453   1HB   GLU  67          2HB       GLU  67  -9.293   3.475  13.278
  454   2HB   GLU  67          3HB       GLU  67  -9.674   2.604  14.762
  455   1HG   GLU  67          2HG       GLU  67  -8.460   4.537  15.966
  456   2HG   GLU  67          3HG       GLU  67  -8.599   5.392  14.413
  457    H    GLN  68           HN       GLN  68  -7.519   3.457  11.936
  458    HA   GLN  68           HA       GLN  68  -7.955   1.192  10.427
  459   1HB   GLN  68          2HB       GLN  68  -6.338   3.651   9.769
  460   2HB   GLN  68          3HB       GLN  68  -6.928   2.481   8.587
  461   1HG   GLN  68          2HG       GLN  68  -9.205   2.889   9.034
  462   2HG   GLN  68          3HG       GLN  68  -8.859   3.853  10.470
  463   1HE2  GLN  68          2HNE      GLN  68  -9.611   6.100   7.623
  464   2HE2  GLN  68          1HNE      GLN  68 -10.458   4.740   8.328
  465    H    MET  69           HN       MET  69  -4.739   2.572  11.452
  466    HA   MET  69           HA       MET  69  -3.152   0.633  10.148
  467   1HB   MET  69          2HB       MET  69  -2.647   2.103  12.773
  468   2HB   MET  69          3HB       MET  69  -1.464   1.180  11.851
  469   1HG   MET  69          2HG       MET  69  -1.864   2.732   9.905
  470   2HG   MET  69          3HG       MET  69  -2.966   3.629  10.894
  471   1HE   MET  69           HE1      MET  69  -1.914   5.804  10.541
  472   2HE   MET  69           HE2      MET  69  -2.278   5.673  12.276
  473   3HE   MET  69           HE3      MET  69  -0.749   6.410  11.744
  474    H    ASP  70           HN       ASP  70  -4.283   0.560  13.553
  475    HA   ASP  70           HA       ASP  70  -3.263  -1.971  14.273
  476   1HB   ASP  70          2HB       ASP  70  -4.194  -0.243  15.844
  477   2HB   ASP  70          3HB       ASP  70  -5.809  -0.565  15.217
  478    H    ALA  71           HN       ALA  71  -6.324  -0.978  12.903
  479    HA   ALA  71           HA       ALA  71  -7.737  -3.431  12.910
  480   1HB   ALA  71          3HB       ALA  71  -7.928  -0.996  11.116
  481   2HB   ALA  71          1HB       ALA  71  -9.167  -2.270  11.198
  482   3HB   ALA  71          2HB       ALA  71  -8.826  -1.261  12.623
  483    H    GLY  72           HN       GLY  72  -5.141  -2.335  10.773
  484   1HA   GLY  72          2HA       GLY  72  -4.007  -4.181   9.687
  485   2HA   GLY  72          3HA       GLY  72  -5.538  -4.813   9.154
  486    H    TYR  73           HN       TYR  73  -4.789  -1.278   9.038
  487    HA   TYR  73           HA       TYR  73  -4.810  -1.551   6.060
  488   1HB   TYR  73          2HB       TYR  73  -5.850   0.673   7.763
  489   2HB   TYR  73          3HB       TYR  73  -5.788   0.631   6.007
  490    HD1  TYR  73           HD2      TYR  73  -6.935  -1.306   4.758
  491    HD2  TYR  73           HD1      TYR  73  -7.779  -0.284   8.850
  492    HE1  TYR  73           HE2      TYR  73  -9.239  -2.064   4.479
  493    HE2  TYR  73           HE1      TYR  73 -10.108  -0.964   8.560
  494    HH   TYR  73           HOH      TYR  73 -11.773  -1.157   6.413
  495    H    VAL  74           HN       VAL  74  -3.647   0.024   4.811
  496    HA   VAL  74           HA       VAL  74  -1.640   1.703   6.113
  497    HB   VAL  74           HB       VAL  74  -0.769  -0.672   5.900
  498   1HG1  VAL  74          1HG1      VAL  74  -1.717  -1.131   3.604
  499   2HG1  VAL  74          2HG1      VAL  74  -0.505  -0.014   2.935
  500   3HG1  VAL  74          3HG1      VAL  74   0.006  -1.493   3.761
  501   1HG2  VAL  74          1HG2      VAL  74   0.827   1.534   4.646
  502   2HG2  VAL  74          2HG2      VAL  74   0.719   1.012   6.357
  503   3HG2  VAL  74          3HG2      VAL  74   1.434  -0.052   5.204
  504    H    LEU  75           HN       LEU  75  -0.839   3.339   4.623
  505    HA   LEU  75           HA       LEU  75  -2.549   3.733   2.304
  506   1HB   LEU  75          2HB       LEU  75  -0.906   5.443   3.962
  507   2HB   LEU  75          3HB       LEU  75  -0.252   5.511   2.341
  508    HG   LEU  75           HG       LEU  75  -2.956   6.395   3.309
  509   1HD1  LEU  75          3HD1      LEU  75  -0.756   7.638   1.664
  510   2HD1  LEU  75          1HD1      LEU  75  -2.340   8.383   1.922
  511   3HD1  LEU  75          2HD1      LEU  75  -1.292   8.051   3.302
  512   1HD2  LEU  75          3HD2      LEU  75  -2.441   5.331   0.563
  513   2HD2  LEU  75          1HD2      LEU  75  -3.899   5.260   1.576
  514   3HD2  LEU  75          2HD2      LEU  75  -3.465   6.761   0.796
  515    H    THR  76           HN       THR  76  -2.079   2.857   0.258
  516    HA   THR  76           HA       THR  76   0.355   1.358  -0.105
  517    HB   THR  76           HB       THR  76  -0.683   1.141  -2.445
  518    HG1  THR  76           HG1      THR  76  -1.982   2.978  -2.526
  519   1HG2  THR  76          1HG2      THR  76  -2.418   0.515   0.000
  520   2HG2  THR  76          2HG2      THR  76  -2.575  -0.232  -1.595
  521   3HG2  THR  76          3HG2      THR  76  -1.105  -0.499  -0.630
  522    H    CYS  77           HN       CYS  77  -0.911   4.459  -1.316
  523    HA   CYS  77           HA       CYS  77   1.075   5.049  -3.217
  524   1HB   CYS  77          2HB       CYS  77   0.124   7.302  -3.058
  525   2HB   CYS  77          3HB       CYS  77  -1.096   6.033  -3.143
  526    H    HIS  78           HN       HIS  78   0.953   5.608   0.266
  527    HA   HIS  78           HA       HIS  78   3.824   6.436   0.196
  528   1HB   HIS  78          2HB       HIS  78   1.569   7.694   1.766
  529   2HB   HIS  78          3HB       HIS  78   3.261   7.848   2.217
  530    HD1  HIS  78           HND      HIS  78   4.842   9.384   0.674
  531    HD2  HIS  78           HD       HIS  78   0.806   9.076  -0.491
  532    HE1  HIS  78           HE       HIS  78   4.433  11.202  -1.050
  533    H    ALA  79           HN       ALA  79   3.934   4.014   0.350
  534    HA   ALA  79           HA       ALA  79   4.462   3.448   3.209
  535   1HB   ALA  79          2HB       ALA  79   2.961   1.621   1.298
  536   2HB   ALA  79          3HB       ALA  79   3.880   1.033   2.702
  537   3HB   ALA  79          1HB       ALA  79   2.514   2.114   2.955
  538    H    TYR  80           HN       TYR  80   6.418   2.514   3.506
  539    HA   TYR  80           HA       TYR  80   8.086   1.842   1.133
  540   1HB   TYR  80          2HB       TYR  80   8.752   2.694   3.981
  541   2HB   TYR  80          3HB       TYR  80   9.918   2.203   2.782
  542    HD1  TYR  80           HD2      TYR  80   9.726   3.571   0.417
  543    HD2  TYR  80           HD1      TYR  80   8.485   4.991   4.302
  544    HE1  TYR  80           HE2      TYR  80   9.755   5.879  -0.419
  545    HE2  TYR  80           HE1      TYR  80   8.658   7.316   3.496
  546    HH   TYR  80           HOH      TYR  80   8.693   8.635   1.575
  547    HA   PRO  81           HA       PRO  81   7.458  -2.204   2.924
  548   1HB   PRO  81          2HB       PRO  81   8.796  -3.644   0.901
  549   2HB   PRO  81          3HB       PRO  81   7.069  -3.187   0.950
  550   1HG   PRO  81          2HG       PRO  81   9.291  -2.009  -0.646
  551   2HG   PRO  81          3HG       PRO  81   7.529  -1.899  -0.877
  552   1HD   PRO  81          2HD       PRO  81   9.138   0.127   0.111
  553   2HD   PRO  81          3HD       PRO  81   7.368   0.050   0.128
  554    H    THR  82           HN       THR  82   8.638  -2.684   4.778
  555    HA   THR  82           HA       THR  82  11.573  -2.388   4.639
  556    HB   THR  82           HB       THR  82  11.524  -2.545   7.034
  557    HG1  THR  82           HG1      THR  82   8.813  -3.304   6.706
  558   1HG2  THR  82          2HG2      THR  82  11.024  -0.370   6.004
  559   2HG2  THR  82          3HG2      THR  82   9.289  -0.716   6.056
  560   3HG2  THR  82          1HG2      THR  82  10.203  -0.560   7.567
  561    H    SER  83           HN       SER  83   9.306  -4.909   4.229
  562    HA   SER  83           HA       SER  83  11.378  -6.862   4.077
  563   1HB   SER  83          2HB       SER  83   9.105  -7.278   6.080
  564   2HB   SER  83          3HB       SER  83  10.266  -8.522   5.595
  565    HG   SER  83           HOG      SER  83  11.602  -6.323   6.377
  566    H    ASP  84           HN       ASP  84   9.975  -9.129   3.578
  567    HA   ASP  84           HA       ASP  84   8.357  -8.583   1.269
  568   1HB   ASP  84          2HB       ASP  84   7.965 -11.056   1.435
  569   2HB   ASP  84          3HB       ASP  84   9.676 -10.604   1.360
  570    H    VAL  85           HN       VAL  85   6.220  -8.185   1.296
  571    HA   VAL  85           HA       VAL  85   4.654  -8.643   3.796
  572    HB   VAL  85           HB       VAL  85   4.974  -5.916   2.475
  573   1HG1  VAL  85          3HG1      VAL  85   2.931  -6.701   4.490
  574   2HG1  VAL  85          1HG1      VAL  85   3.300  -5.055   4.019
  575   3HG1  VAL  85          2HG1      VAL  85   2.627  -6.139   2.838
  576   1HG2  VAL  85          3HG2      VAL  85   6.078  -7.117   4.905
  577   2HG2  VAL  85          1HG2      VAL  85   6.627  -5.780   3.895
  578   3HG2  VAL  85          2HG2      VAL  85   5.325  -5.526   5.046
  579    H    VAL  86           HN       VAL  86   2.383  -8.476   3.605
  580    HA   VAL  86           HA       VAL  86   1.354  -9.119   0.891
  581    HB   VAL  86           HB       VAL  86   0.487 -10.433   3.502
  582   1HG1  VAL  86          3HG1      VAL  86  -1.143 -10.283   1.523
  583   2HG1  VAL  86          1HG1      VAL  86   0.019 -11.267   0.626
  584   3HG1  VAL  86          2HG1      VAL  86  -0.762 -11.928   2.071
  585   1HG2  VAL  86          2HG2      VAL  86   2.385 -11.495   1.361
  586   2HG2  VAL  86          3HG2      VAL  86   2.755 -11.238   3.080
  587   3HG2  VAL  86          1HG2      VAL  86   1.611 -12.498   2.606
  588    H    ILE  87           HN       ILE  87  -0.027  -7.465   0.391
  589    HA   ILE  87           HA       ILE  87  -1.881  -6.536   2.458
  590    HB   ILE  87           HB       ILE  87  -0.310  -4.893   2.604
  591   1HG1  ILE  87          2HG1      ILE  87  -2.646  -3.993   1.869
  592   2HG1  ILE  87          3HG1      ILE  87  -1.269  -2.902   1.991
  593   1HG2  ILE  87          3HG2      ILE  87   0.238  -4.988  -0.296
  594   2HG2  ILE  87          1HG2      ILE  87   0.868  -3.737   0.800
  595   3HG2  ILE  87          2HG2      ILE  87   1.330  -5.430   1.021
  596   1HD1  ILE  87           HD1      ILE  87  -1.885  -4.283  -0.616
  597   2HD1  ILE  87           HD2      ILE  87  -2.626  -2.751  -0.192
  598   3HD1  ILE  87           HD3      ILE  87  -0.871  -2.866  -0.304
  599    H    GLU  88           HN       GLU  88  -3.875  -5.786   1.606
  600    HA   GLU  88           HA       GLU  88  -4.466  -6.577  -1.222
  601   1HB   GLU  88          2HB       GLU  88  -6.397  -5.644   0.857
  602   2HB   GLU  88          3HB       GLU  88  -6.779  -6.562  -0.613
  603   1HG   GLU  88          2HG       GLU  88  -5.754  -8.556   0.510
  604   2HG   GLU  88          3HG       GLU  88  -5.402  -7.529   1.911
  605    H    THR  89           HN       THR  89  -4.789  -4.918  -2.709
  606    HA   THR  89           HA       THR  89  -4.615  -2.105  -1.689
  607    HB   THR  89           HB       THR  89  -4.335  -1.416  -3.997
  608    HG1  THR  89           HG1      THR  89  -4.991  -4.104  -4.555
  609   1HG2  THR  89          3HG2      THR  89  -2.649  -3.860  -3.360
  610   2HG2  THR  89          1HG2      THR  89  -2.315  -2.648  -4.615
  611   3HG2  THR  89          2HG2      THR  89  -2.308  -2.181  -2.907
  612    H    HIS  90           HN       HIS  90  -6.181  -0.524  -2.941
  613    HA   HIS  90           HA       HIS  90  -8.218   0.215  -3.563
  614   1HB   HIS  90          2HB       HIS  90  -9.042  -2.699  -3.966
  615   2HB   HIS  90          3HB       HIS  90  -9.932  -1.272  -4.473
  616    HD1  HIS  90           HND      HIS  90  -6.156  -1.727  -5.207
  617    HD2  HIS  90           HD       HIS  90  -9.938  -1.898  -7.026
  618    HE1  HIS  90           HE       HIS  90  -5.726  -2.193  -7.636
  619    H    LYS  91           HN       LYS  91  -7.763   0.405  -0.963
  620    HA   LYS  91           HA       LYS  91 -10.286  -0.537   0.370
  621   1HB   LYS  91          2HB       LYS  91  -7.526  -0.205   1.573
  622   2HB   LYS  91          3HB       LYS  91  -8.939  -0.838   2.391
  623   1HG   LYS  91          2HG       LYS  91  -7.636  -2.141  -0.057
  624   2HG   LYS  91          3HG       LYS  91  -7.446  -2.652   1.614
  625   1HD   LYS  91          2HD       LYS  91  -9.588  -3.260   1.903
  626   2HD   LYS  91          3HD       LYS  91 -10.178  -2.537   0.423
  627   1HE   LYS  91          2HE       LYS  91  -9.463  -4.096  -1.003
  628   2HE   LYS  91          3HE       LYS  91  -8.113  -4.603   0.005
  629   1HZ   LYS  91          1HNZ      LYS  91 -10.846  -5.096   0.931
  630   2HZ   LYS  91          2HNZ      LYS  91 -10.148  -6.122  -0.170
  631   3HZ   LYS  91          3HNZ      LYS  91  -9.439  -5.925   1.275
  632    H    GLU  92           HN       GLU  92  -9.196   2.138  -0.908
  633    HA   GLU  92           HA       GLU  92  -9.597   4.294   0.587
  634   1HB   GLU  92          2HB       GLU  92  -9.425   4.210  -1.816
  635   2HB   GLU  92          3HB       GLU  92 -10.986   3.445  -1.994
  636   1HG   GLU  92          2HG       GLU  92 -11.055   6.069  -0.558
  637   2HG   GLU  92          3HG       GLU  92 -10.400   6.142  -2.217
  638    H    GLU  93           HN       GLU  93 -12.693   2.909  -0.723
  639    HA   GLU  93           HA       GLU  93 -14.002   3.743   1.758
  640   1HB   GLU  93          2HB       GLU  93 -15.125   2.396  -0.747
  641   2HB   GLU  93          3HB       GLU  93 -16.080   2.802   0.680
  642   1HG   GLU  93          2HG       GLU  93 -15.358   5.214   0.409
  643   2HG   GLU  93          3HG       GLU  93 -14.753   4.752  -1.189
  644    H    GLU  94           HN       GLU  94 -12.020   1.758   2.254
  645    HA   GLU  94           HA       GLU  94 -13.835   0.011   3.818
  646   1HB   GLU  94          2HB       GLU  94 -11.105  -0.702   2.661
  647   2HB   GLU  94          3HB       GLU  94 -11.731  -1.397   4.134
  648   1HG   GLU  94          2HG       GLU  94 -13.799  -2.096   2.746
  649   2HG   GLU  94          3HG       GLU  94 -12.742  -1.808   1.359
  650    H    ILE  95           HN       ILE  95 -10.938   2.173   3.722
  651    HA   ILE  95           HA       ILE  95 -10.612   1.848   6.559
  652    HB   ILE  95           HB       ILE  95  -8.868   3.468   6.384
  653   1HG1  ILE  95          2HG1      ILE  95  -9.372   3.626   3.388
  654   2HG1  ILE  95          3HG1      ILE  95  -9.904   4.854   4.559
  655   1HG2  ILE  95          2HG2      ILE  95  -8.626   1.097   5.901
  656   2HG2  ILE  95          3HG2      ILE  95  -8.684   1.389   4.158
  657   3HG2  ILE  95          1HG2      ILE  95  -7.364   2.060   5.147
  658   1HD1  ILE  95           HD2      ILE  95  -7.009   4.058   4.371
  659   2HD1  ILE  95           HD3      ILE  95  -7.785   5.346   3.428
  660   3HD1  ILE  95           HD1      ILE  95  -7.757   5.423   5.217
  661    H    VAL  96           HN       VAL  96 -12.128   4.376   4.541
  662    HA   VAL  96           HA       VAL  96 -12.431   6.050   6.964
  663    HB   VAL  96           HB       VAL  96 -13.370   7.724   5.520
  664   1HG1  VAL  96          2HG1      VAL  96 -10.839   7.462   5.839
  665   2HG1  VAL  96          3HG1      VAL  96 -10.811   6.781   4.199
  666   3HG1  VAL  96          1HG1      VAL  96 -11.376   8.427   4.458
  667   1HG2  VAL  96          2HG2      VAL  96 -14.467   6.324   3.808
  668   2HG2  VAL  96          3HG2      VAL  96 -13.385   7.520   3.075
  669   3HG2  VAL  96          1HG2      VAL  96 -12.882   5.825   3.186
   
  No H/Q in entry =         668