*HEADER   ELECTRON TRANSPORT                      23-MAY-98   1BFY    
*TITLE    SOLUTION STRUCTURE OF REDUCED CLOSTRIDIUM PASTEURIANUM      
*TITLE   2 RUBREDOXIN, NMR, 20 STRUCTURES                             
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: RUBREDOXIN;                                      
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 EC: 1.18.1.1;                                              
*COMPND  5 OTHER_DETAILS: REDUCED CLOSTRIDIUM PASTEURIANUM RUBREDOXIN 
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PASTEURIANUM              
*KEYWDS   ELECTRON TRANSPORT, RUBREDOXIN, SOLUTION STRUCTURE,         
*KEYWDS  2 PARAMAGNETISM, NUCLEAR RELAXATION                          
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   I.BERTINI,D.M.KURTZ JUNIOR,M.K.EIDSNESS,G.LIU,C.LUCHINAT,   
*AUTHOR  2 A.ROSATO,R.A.SCOTT                                         
*REVDAT  1   25-MAY-99 1BFY    0                                      
 
  3 LYS+
         HB3    84 LTNS ME     13.90
  4 TYR 
         HN     84 LTNS ME     16.25
         QD     84 LTNS ME     14.76
  5 THR 
         HN     84 LTNS ME     14.95
 12 ILE 
         QG1    84 LTNS ME     12.97
         QG2    84 LTNS ME     13.09
 14 ASN 
         HB2    84 LTNS ME     14.20
         HB3    84 LTNS ME     14.10
         HN     84 LTNS ME     13.14
 19 ASP-
         HN     84 LTNS ME     14.89
         QB     84 LTNS ME     15.03
 22 ASN 
         HB2    84 LTNS ME     15.22
         HB3    84 LTNS ME     14.81
         HD21   84 LTNS ME     14.56
         HD22   84 LTNS ME     13.51
 24 VAL 
         HB     84 LTNS ME     14.20
         HN     84 LTNS ME     15.48
         QG1    84 LTNS ME     13.94
         QG2    84 LTNS ME     15.28
 30 PHE 
         HA     84 LTNS ME     14.93
         QD     84 LTNS ME     12.18
 33 ILE 
         HG13   84 LTNS ME     16.39
         QG2    84 LTNS ME     15.43
 37 TRP 
         HD1    84 LTNS ME     13.90
 38 VAL 
         HN     84 LTNS ME     13.67
 41 LEU 
         QD1    84 LTNS ME     12.26
         QD2    84 LTNS ME     14.18
 46 LYS+
         HD2    84 LTNS ME     14.86
         HD3    84 LTNS ME     13.25
         HE3    84 LTNS ME     11.94
         QG     84 LTNS ME     12.72
 47 ASP-
         QB     84 LTNS ME     14.25
 51 GLU-
         HA     84 LTNS ME     14.81
         HN     84 LTNS ME     14.67
 52 VAL 
         HN     84 LTNS ME     16.06
         QG2    84 LTNS ME     13.15
  84 LTNS
         ME      6 CYSS SG      2.40 
         ME      9 CYSS SG      2.40
         ME     39 CYSS SG      2.40
         ME     42 CYSS SG      2.40
   6 CYSS
         SG      9 CYSS SG      4.00
         SG     39 CYSS SG      4.00
         SG     42 CYSS SG      4.00
   9 CYSS
         SG     39 CYSS SG      4.00
         SG     42 CYSS SG      4.00
  39 CYSS
         SG     42 CYSS SG      4.00

  1 MET  
         HA      1 MET  HB2     3.40  #    19020.0
         HA      1 MET  HB3     3.00  #    40500.0
         HA      1 MET  HG2     2.90 <#    26930.0
         HA      1 MET  HG3     3.70 >#     6540.0
         HA      2 LYS+ HN      3.50  #    18060.0
         HA      2 LYS+ HG2     5.40  #      649.0
         HA      2 LYS+ HG3     4.80  #     1216.0
         HB2     1 MET  HG2     3.20  #    14430.0
         HB2     1 MET  HG3     2.80  #    36590.0
         HB2     2 LYS+ HN      4.20 >#     6111.0
         HB2     2 LYS+ HA      6.00  #      319.0
         HB2    15 PRO  HB2     3.20  #    14180.0
         HB2    15 PRO  HB3     4.00  #     3772.0
         HB2    16 GLU- HN      6.00  #      146.0
         HB2    16 GLU- HG2     6.00  #         .0
         HB2    16 GLU- HG3     6.00  #         .0
         HB2    29 ASP- HA      4.80 >#     1318.0
         HB2    30 PHE  HN      6.00 >#      180.0
         HB3     1 MET  HG2     2.80  #    36260.0
         HB3     1 MET  HG3     3.40  #     9674.0
         HB3     2 LYS+ HN      3.30 <#    22780.0
         HB3    15 PRO  HB2     3.50  #     8020.0
         HB3    15 PRO  HB3     3.60  #     7446.0
         HB3    15 PRO  HD3     5.00  #      953.0
         HB3    29 ASP- HA      4.10 <#     3486.0
         HB3    30 PHE  HN      4.70 <#     1370.0
         HG2     2 LYS+ HN      4.30  #     2467.0
         HG3     2 LYS+ HN      4.90  #     1128.0
         HG3    15 PRO  HB2     5.40  #      608.0
         HG3    15 PRO  HG2     5.60  #      486.0
         HG3    15 PRO  HG3     5.00  #      999.0
  2 LYS+ 
         HN      2 LYS+ HA      3.40  #    19350.0
         HN      2 LYS+ QB      3.80  #    31040.0
         HN      2 LYS+ HG2     3.30  #    11420.0
         HN      2 LYS+ HG3     3.30  #    12930.0
         HN      2 LYS+ QD      5.10  #     3397.5
         HN      2 LYS+ QE      6.30  #      734.5
         HN      3 LYS+ HN      4.60  #     3495.0
         HN      4 TYR  QD      8.00  #      252.0
         HN      4 TYR  QE      7.00  #      972.5
         HN     15 PRO  HG3     4.60  #     1634.0
         HA      2 LYS+ QB      4.20  #    29130.0
         HA      2 LYS+ HG2     3.00 <#    20380.0
         HA      2 LYS+ HG3     3.60 >#     7888.0
         HA      2 LYS+ QD      4.50  #     8410.0
         HA      2 LYS+ QE      6.00  #      970.0
         HA      3 LYS+ HN      2.50  #   120800.0
         QB      2 LYS+ HG2     3.50  #    67900.0
         QB      2 LYS+ HG3     3.60  #    53000.0
         QB      2 LYS+ QD      5.20  #    13672.5
         QB      2 LYS+ QE      6.50  #     1827.5
         QB      3 LYS+ HN      4.50  #    16975.0
         QB      4 TYR  QD      7.70  #     1461.5
         QB      4 TYR  QE      6.50  #     8882.5
         QB     51 GLU- HA      5.70  #     1411.5
         QB     52 VAL  HN      4.80  #     5575.0
         HG2     2 LYS+ QD      3.90  #    30185.0
         HG2     2 LYS+ QE      4.50  #     8920.0
         HG2     3 LYS+ HN      4.30  #     2515.0
         HG2     4 TYR  QE      7.50  #      533.0
         HG2    53 GLU- HA      6.00  #      134.0
         HG3     2 LYS+ QD      3.70  #    39335.0
         HG3     2 LYS+ QE      4.40  #    10825.0
         HG3     4 TYR  QD      8.00  #      179.0
         HG3     4 TYR  QE      7.30  #      692.0
         QD      2 LYS+ QE      5.20  #    15740.0
         QD      3 LYS+ HN      4.60  #     7005.0
         QD      4 TYR  QE      8.50  #      531.8
         QD     53 GLU- HA      7.00  #      200.5
         QE      4 TYR  QD      9.00  #      160.5
         QE      4 TYR  QE      8.70  #      440.5
         QE     53 GLU- HA      7.00  #      318.5
  3 LYS+ 
         HN      3 LYS+ HA      3.40  #    22470.0
         HN      3 LYS+ HB2     2.90 <#    49460.0
         HN      3 LYS+ HB3     3.50 >#    16680.0
         HN      3 LYS+ HG2     3.50 >#     7997.0
         HN      3 LYS+ HG3     2.70 <#    39740.0
         HN      3 LYS+ QD      4.60  #     6960.0
         HN      3 LYS+ QE      6.20  #      807.0
         HN      4 TYR  HA      6.00  #      428.0
         HN      4 TYR  QD      7.70  #      456.5
         HN      4 TYR  QE      7.70  #      457.0
         HN     15 PRO  HD2     4.80  #     1318.0
         HN     15 PRO  HD3     4.40  #     2194.0
         HN     52 VAL  HN      4.00  #     3941.0
         HN     52 VAL  HB      3.70  #     5791.0
         HA      3 LYS+ HB2     3.40  #    21840.0
         HA      3 LYS+ HB3     3.10  #    33768.0
         HA      3 LYS+ HG2     2.70  #    38960.0
         HA      3 LYS+ HG3     3.10  #    16610.0
         HA      3 LYS+ QD      4.70  #     6280.0
         HA      3 LYS+ QE      5.80  #     1275.0
         HA      4 TYR  HN      3.00  #    45320.0
         HA      4 TYR  HB2     5.60  #     1025.0
         HA      4 TYR  QD      6.10  #     3535.0
         HA      4 TYR  QE      7.40  #      633.0
         HA     12 ILE  QG2     6.00  #     1720.0
         HA     15 PRO  HG2     5.00 >#      957.0
         HA     15 PRO  HG3     4.30 <#     2403.0
         HA     15 PRO  HD2     3.40  #    11180.0
         HA     15 PRO  HD3     3.10  #    16830.0
         HA     52 VAL  HB      5.00  #      934.0
         HA     52 VAL  QG2     6.70  #      823.0
         HB2     3 LYS+ HG2     3.10  #    19820.0
         HB2     3 LYS+ HG3     2.60  #    49290.0
         HB2     3 LYS+ QD      3.60  #    47490.0
         HB2     3 LYS+ QE      4.50 <#     8910.0
         HB2     4 TYR  HN      3.80  #    10060.0
         HB2    12 ILE  QG2     4.50 >#     9992.0
         HB2    14 ASN  HA      5.20 >#      803.0
         HB2    15 PRO  HD2     5.70  #      468.0
         HB2    52 VAL  HN      3.70 <#     5926.0
         HB2    52 VAL  HB      2.80 <#    33760.0
         HB2    52 VAL  QG1     4.00  #    17880.0
         HB2    52 VAL  QG2     4.20  #    14610.0
         HB3     3 LYS+ HG2     2.60  #    49380.0
         HB3     3 LYS+ HG3     3.10  #    18600.0
         HB3     3 LYS+ QD      3.90  #    30310.0
         HB3     3 LYS+ QE      6.60 >#      497.0
         HB3     4 TYR  HN      3.40  #    19000.0
         HB3    12 ILE  QG2     3.50 <#    41576.0
         HB3    12 ILE  QD1     6.20  #     1384.0
         HB3    14 ASN  HA      3.60 <#     7108.0
         HB3    15 PRO  HD2     4.80  #     1345.0
         HB3    15 PRO  HD3     4.80  #     1269.0
         HB3    52 VAL  HN      4.70 >#     1427.0
         HB3    52 VAL  HB      3.50 >#     8869.0
         HB3    52 VAL  QG1     6.30  #     1253.0
         HB3    52 VAL  QG2     4.40  #    11350.0
         HG2     3 LYS+ QD      3.90  #    25165.0
         HG2     3 LYS+ QE      4.30  #    11705.0
         HG2     4 TYR  HN      4.50  #     1854.0
         HG2    12 ILE  QG2     5.00  #     4712.0
         HG2    14 ASN  HA      2.50 <#    62170.0
         HG2    14 ASN  HB2     4.10  #     3474.0
         HG2    14 ASN  HD21    5.70  #      437.0
         HG2    14 ASN  HD22    5.80  #      423.0
         HG2    15 PRO  HG3     5.30  #      680.0
         HG2    15 PRO  HD2     2.80  #    33740.0
         HG2    15 PRO  HD3     3.00  #    22100.0
         HG2    52 VAL  HB      4.90  #     1091.0
         HG3     3 LYS+ QD      3.80  #    35895.0
         HG3     3 LYS+ QE      4.40  #     9940.0
         HG3     4 TYR  HN      4.80  #     1216.0
         HG3    14 ASN  HA      3.80 >#     5601.0
         HG3    15 PRO  HD2     3.30  #    12690.0
         HG3    15 PRO  HD3     4.00  #     3958.0
         QD      3 LYS+ QE      5.10  #    18162.5
         QD      4 TYR  HN      5.80  #     1249.5
         QD     12 ILE  QG2     5.30  #    12200.0
         QD     12 ILE  QG1     7.70  #      454.0
         QD     14 ASN  HA      5.30  #     2526.0
         QD     14 ASN  HB2     5.20  #     2896.0
         QD     14 ASN  HD21    6.20  #      822.5
         QD     14 ASN  HD22    6.20  #      785.0
         QD     15 PRO  HD2     5.60 <#     1559.5
         QD     15 PRO  HD3     6.40 >#      590.5
         QD     52 VAL  HB      4.90  #     4755.5
         QE     12 ILE  QG2     6.70  #     2273.5
         QE     14 ASN  HB2     5.00  #     3904.5
         QE     14 ASN  HD21    5.10  #     3499.0
  4 TYR  
         HN      4 TYR  HA      3.30  #    26216.0
         HN      4 TYR  HB2     3.10 <#    36768.0
         HN      4 TYR  HB3     5.00 >#     1936.0
         HN      4 TYR  QD      5.80  #     5020.0
         HN      4 TYR  QE      6.20  #      741.0
         HN     12 ILE  QG2     5.70  #     2144.0
         HN     13 TYR  HN      3.20  #    15752.0
         HN     13 TYR  QB      4.60  #     7012.0
         HN     13 TYR  QD      7.00  #      976.0
         HN     14 ASN  HA      3.90  #     4456.0
         HN     15 PRO  HD2     6.00  #         .0
         HN     15 PRO  HD3     3.90  #     4288.0
         HN     30 PHE  QD      8.00  #      228.0
         HN     52 VAL  HN      6.00  #         .0
         HN     52 VAL  HB      3.30  #    12780.0
         HN     52 VAL  QG1     5.90 >#     1783.0
         HN     52 VAL  QG2     4.60 <#     7909.0
         HA      4 TYR  HB2     3.10  #    35936.0
         HA      4 TYR  HB3     2.90  #    50408.0
         HA      4 TYR  QD      4.60  #     7204.0
         HA      4 TYR  QE      6.00  #      648.0
         HA      5 THR  HN      2.60  #    96160.0
         HA     50 GLU- HN      6.00  #         .0
         HA     51 GLU- HN      6.00  #      291.0
         HA     51 GLU- HA      2.40  #    96960.0
         HA     51 GLU- QB      6.50  #      531.0
         HA     51 GLU- HG2     6.00  #      247.0
         HA     51 GLU- HG3     6.00  #      246.0
         HA     52 VAL  HN      2.60  #    50576.0
         HA     52 VAL  HA      6.00  #      211.0
         HA     52 VAL  HB      4.90  #     1192.0
         HA     52 VAL  QG1     6.80 >#      803.0
         HA     52 VAL  QG2     3.70 <#    29248.0
         HB2     4 TYR  QD      4.90  #    27880.0
         HB2     4 TYR  QE      7.30 >#      688.5
         HB2    13 TYR  QB      3.80 <#    30684.0
         HB2    13 TYR  QD      6.40  #     2125.0
         HB2    13 TYR  QE      8.00  #      212.0
         HB2    30 PHE  QD      6.00  #     3652.0
         HB2    30 PHE  QE      7.40  #      631.0
         HB2    49 PHE  HB2     3.90  #     4736.0
         HB2    49 PHE  QD      8.00 >#      189.0
         HB3     4 TYR  QD      4.70  #    44880.0
         HB3     4 TYR  QE      6.10 <#     3433.5
         HB3     5 THR  HN      3.70  #    11440.0
         HB3    13 TYR  QB      4.60 >#     7336.0
         HB3    13 TYR  QD      6.40  #     2048.0
         HB3    30 PHE  QD      5.50  #     8828.0
         HB3    49 PHE  QD      6.90 <#     1060.5
         QD      4 TYR  QE      6.30  #   100460.0
         QD      5 THR  HN      8.00  #      232.0
         QD     13 TYR  QB      8.10  #      922.0
         QD     13 TYR  QD      7.20  #    15642.0
         QD     13 TYR  QE      8.20  #     2726.0
         QD     15 PRO  HD3     8.00  #      201.5
         QD     30 PHE  HN      6.90  #     1126.5
         QD     30 PHE  HB2     4.80 <#    33760.0
         QD     30 PHE  HB3     5.60 >#     6920.0
         QD     30 PHE  QD      8.50  #     1936.0
         QD     30 PHE  QE      7.40  #    10010.0
         QD     30 PHE  HZ      5.80  #     5164.0
         QD     49 PHE  HB2     5.40  #     9948.0
         QD     50 GLU- HN      7.30  #      732.0
         QD     50 GLU- HA      5.90  #     4384.0
         QD     51 GLU- HN      6.30  #     2334.0
         QD     51 GLU- HA      5.40  #    10444.0
         QD     51 GLU- QB      7.70  #     1415.2
         QD     51 GLU- HG2     7.80 >#      383.5
         QD     51 GLU- HG3     6.70 <#     1450.0
         QD     52 VAL  HN      6.10  #     3272.0
         QE     13 TYR  QE     10.00  #       15.2
         QE     30 PHE  HN      6.20  #     2834.5
         QE     30 PHE  HA      7.60  #      517.5
         QE     30 PHE  HB2     5.80 >#     5355.0
         QE     30 PHE  HB3     5.10 <#    19944.0
         QE     30 PHE  QD      8.30  #     2431.0
         QE     30 PHE  QE      7.50  #     8132.5
         QE     31 LYS+ HN      6.70  #     1391.5
         QE     50 GLU- HA      5.90  #     4628.0
         QE     51 GLU- HN      5.90  #     4440.5
         QE     51 GLU- HA      6.00  #     3601.5
         QE     51 GLU- QB      6.90  #     4312.5
         QE     51 GLU- HG2     5.60  #     7705.0
         QE     51 GLU- HG3     5.60  #     7335.0
         QE     52 VAL  HN      8.00  #      144.5
  5 THR  
         HN      5 THR  QG2     4.70  #     5360.0
         HN     12 ILE  QD1     7.00  #         .0
         HN     13 TYR  HN      5.00  #      992.0
         HN     49 PHE  QD      8.00  #         .0
         HN     50 GLU- HN      3.10  #    19824.0
         HN     50 GLU- HB3     4.30  #     2520.0
         HN     51 GLU- HA      4.10  #     3528.0
         HN     52 VAL  HN      5.60  #      498.0
         HN     52 VAL  QG2     4.20  #    14616.0
         HB      5 THR  QG2     3.70  #    20416.0
 11 TYR  
         QB     11 TYR  QD      9.00  #      205.8
         QB     41 LEU  HG      7.00  #       60.0
         QD     11 TYR  QE      7.60  #     7870.0
         QD     41 LEU  HG      8.00  #      151.0
         QD     41 LEU  QD1     9.00 >#      552.0
         QD     41 LEU  QD2     7.60 <#     2528.0
 12 ILE  
         HB     12 ILE  QG2     3.30  #   223360.0
         HB     12 ILE  QG1     3.30  #   353560.0
         HB     12 ILE  QD1     3.90  #    16024.0
         QG2    12 ILE  QG1     4.30  #    64640.0
         QG2    12 ILE  QD1     4.30  #    47552.0
         QG2    13 TYR  HN      4.30  #    13272.0
         QG2    13 TYR  HA      7.00  #      288.0
         QG2    13 TYR  QB      8.00  #      500.0
         QG2    14 ASN  HN      5.30  #     3296.0
         QG2    14 ASN  HA      5.80  #     2081.0
         QG2    14 ASN  HB2     4.40 <#    11064.0
         QG2    14 ASN  HB3     6.00 >#     1673.0
         QG2    14 ASN  HD21    6.50  #      969.0
         QG2    14 ASN  HD22    7.00  #      408.0
         QG2    52 VAL  QG2     4.50  #    45936.0
         QG1    12 ILE  QD1     5.10  #    11116.0
         QD1    13 TYR  HN      7.00  #       53.0
         QD1    52 VAL  QG2     5.20  #    15144.0
 13 TYR  
         HN     13 TYR  HA      6.00  #      177.0
         HN     13 TYR  QB      4.10  #    16424.0
         HA     13 TYR  QB      4.00  #    40960.0
         HA     13 TYR  QD      5.60  #     1664.0
         HA     13 TYR  QE      6.60  #       25.5
         HA     14 ASN  HN      3.40  #    20610.0
         HA     14 ASN  HB3     6.00  #      482.0
         QB     13 TYR  QD      6.10  #    17758.0
         QB     30 PHE  QD      7.60  #     1616.0
         QB     37 TRP  HH2     6.30  #      674.5
         QD     13 TYR  QE      7.70  #     5746.0
         QD     13 TYR  HH      5.50  #     8300.0
         QD     14 ASN  HN      7.60  #      506.5
         QD     19 ASP- QB      9.00  #      192.5
         QD     30 PHE  HN      8.00  #      293.0
         QD     30 PHE  HB2     5.40 <#    10120.0
         QD     30 PHE  HB3     7.70 >#      455.5
         QD     30 PHE  QD      8.20  #     2940.0
         QD     30 PHE  QE      8.30  #     2384.0
         QD     30 PHE  HZ      5.30  #    13355.0
         QE     13 TYR  HH      4.70  #    39310.0
         QE     15 PRO  HA      5.00  #    20490.0
         QE     15 PRO  HB2     6.80 >#     1226.5
         QE     15 PRO  HB3     5.30 <#    12950.0
         QE     15 PRO  HG3     5.70  #     6430.0
         QE     18 GLY  HN      8.00  #       85.5
         QE     18 GLY  HA1     5.10 <#    17845.0
         QE     18 GLY  HA2     6.10 >#     3286.5
         QE     19 ASP- HN      7.80  #      384.0
         QE     19 ASP- QB      7.40  #     2100.8
         QE     24 VAL  QG1     6.50  #     9100.0
         QE     28 THR  HB      6.60  #     1606.0
         QE     30 PHE  HN      5.90  #     4482.5
         QE     30 PHE  HA      6.50  #     1824.5
         QE     30 PHE  HB2     6.80  #     1276.0
         QE     30 PHE  QD      9.40  #      652.8
         QE     33 ILE  HG13    8.00  #      120.0
         QE     33 ILE  QD1     7.60  #     2574.5
         HH     15 PRO  HA      2.50  #    67570.0
         HH     15 PRO  HB2     4.70 >#     1464.0
         HH     15 PRO  HB3     3.40 <#    10970.0
         HH     18 GLY  HN      4.40  #     2222.0
         HH     18 GLY  HA1     3.20 <#    14180.0
         HH     18 GLY  HA2     4.40 >#     2296.0
         HH     19 ASP- HN      6.00  #      330.0
         HH     24 VAL  QG1     4.00  #    18660.0
         HH     26 PRO  HA      5.50  #      537.0
         HH     27 GLY  HN      5.70  #      430.0
         HH     28 THR  HN      3.10  #    17720.0
         HH     28 THR  HA      4.50  #     1925.0
         HH     28 THR  HB      2.40  #    97570.0
         HH     28 THR  QG2     4.60  #     8572.0
         HH     28 THR  HG1     4.70  #     1355.0
         HH     29 ASP- HN      4.80  #     1271.0
         HH     29 ASP- HA      4.50  #     1912.0
         HH     30 PHE  HN      4.50  #     2008.0
         HH     30 PHE  HA      4.40  #     2153.0
         HH     30 PHE  HB2     6.00  #      233.0
         HH     30 PHE  QD      6.70  #     1481.0
         HH     33 ILE  QG2     6.70  #      836.0
         HH     33 ILE  HG12    4.80 >#     1333.0
         HH     33 ILE  HG13    3.90 <#     4518.0
         HH     33 ILE  QD1     4.80  #     5971.0
 14 ASN  
         HN     14 ASN  HA      3.80  #    10870.0
         HN     14 ASN  HB2     3.20  #    32624.0
         HN     14 ASN  HB3     2.70  #    77560.0
         HN     14 ASN  HD21    5.60  #      486.0
         HN     15 PRO  HD2     5.10  #      848.0
         HN     15 PRO  HD3     4.50  #     1948.0
         HN     17 ASP- HN      5.30  #     1206.0
         HN     17 ASP- HB2     5.90  #      657.0
         HN     18 GLY  HN      5.10  #     1632.0
         HA     14 ASN  HB2     3.00  #    41290.0
         HA     14 ASN  HB3     3.30  #    26270.0
         HA     14 ASN  HD21    4.50 <#     1991.0
         HA     14 ASN  HD22    5.30 >#      679.0
         HA     15 PRO  HA      4.60  #     3321.0
         HA     15 PRO  HG2     4.50  #     1850.0
         HA     15 PRO  HG3     4.40  #     2017.0
         HA     15 PRO  HD2     2.30  #   107300.0
         HA     15 PRO  HD3     2.40  #    80510.0
         HA     16 GLU- HN      4.20  #     5090.0
         HA     17 ASP- HN      4.40  #     3814.0
         HA     18 GLY  HN      5.90  #      609.0
         HB2    14 ASN  HD21    2.70  #    38950.0
         HB2    14 ASN  HD22    3.70  #     6311.0
         HB2    15 PRO  HD2     4.60  #     1741.0
         HB2    15 PRO  HD3     5.60  #      481.0
         HB2    16 GLU- HN      6.00 >#      377.0
         HB2    17 ASP- HN      4.70 >#     2389.0
         HB2    17 ASP- HB2     4.20  #     2916.0
         HB3    14 ASN  HD21    2.90  #    28330.0
         HB3    14 ASN  HD22    3.90  #     4835.0
         HB3    15 PRO  HD2     4.80  #     1246.0
         HB3    15 PRO  HD3     5.60  #      507.0
         HB3    16 GLU- HN      4.80 <#     2271.0
         HB3    17 ASP- HN      3.50 <#    14430.0
         HB3    17 ASP- HB2     2.60  #    53510.0
         HB3    17 ASP- HB3     6.00  #         .0
         HB3    18 GLY  HN      5.80  #      727.0
         HD21   16 GLU- HN      6.00 >#      254.0
         HD21   16 GLU- HB2     4.40  #     2183.0
         HD21   16 GLU- HB3     5.70  #      459.0
         HD21   17 ASP- HB2     4.30  #     2396.0
         HD21   17 ASP- HB3     5.30  #      671.0
         HD22   15 PRO  HD2     5.00  #      984.0
         HD22   16 GLU- HN      4.30 <#     2618.0
         HD22   16 GLU- HB2     3.30  #    12240.0
         HD22   16 GLU- HB3     4.70  #     1418.0
         HD22   16 GLU- HG3     5.50  #      534.0
 15 PRO  
         HA     15 PRO  HB2     3.20 >#    28810.0
         HA     15 PRO  HB3     2.70 <#    83160.0
         HA     15 PRO  HG2     3.80  #     5155.0
         HA     15 PRO  HG3     3.70  #     6692.0
         HA     16 GLU- HN      3.90  #     8614.0
         HA     16 GLU- HA      6.00  #      678.0
         HA     17 ASP- HN      3.80  #     8910.0
         HA     18 GLY  HN      3.40  #    18560.0
         HA     18 GLY  HA1     3.30 <#    20420.0
         HA     18 GLY  HA2     4.60 >#     2731.0
         HA     27 GLY  HN      4.10  #     3461.0
         HA     27 GLY  HA1     5.10  #      844.0
         HA     28 THR  HN      3.90  #     4174.0
         HA     28 THR  HB      4.60  #     1699.0
         HB2    15 PRO  HG2     2.40  #    88570.0
         HB2    15 PRO  HG3     3.00  #    21080.0
         HB2    15 PRO  HD2     3.90  #     4282.0
         HB2    15 PRO  HD3     4.20  #     3015.0
         HB2    16 GLU- HN      3.40 <#    21940.0
         HB2    16 GLU- HA      4.60  #     3402.0
         HB2    27 GLY  HN      4.50  #     1768.0
         HB2    27 GLY  HA1     4.10  #     3083.0
         HB2    28 THR  HN      4.50  #     1758.0
         HB2    29 ASP- HN      6.00 >#      319.0
         HB2    29 ASP- HA      3.90 >#     4450.0
         HB2    30 PHE  HN      4.90 >#     1142.0
         HB3    15 PRO  HG2     3.20  #    15280.0
         HB3    15 PRO  HG3     2.80  #    33040.0
         HB3    15 PRO  HD2     4.20  #     3017.0
         HB3    15 PRO  HD3     3.50  #     9249.0
         HB3    16 GLU- HN      4.50 >#     3524.0
         HB3    27 GLY  HN      5.20  #      781.0
         HB3    27 GLY  HA1     6.00  #      279.0
         HB3    28 THR  HN      4.40  #     2015.0
         HB3    29 ASP- HN      5.00 <#      984.0
         HB3    29 ASP- HA      2.90 <#    27540.0
         HB3    30 PHE  HN      3.70 <#     6498.0
         HG2    15 PRO  HD2     2.70  #    41330.0
         HG2    15 PRO  HD3     3.00  #    22980.0
         HG2    16 GLU- HN      3.20 <#    13730.0
         HG2    16 GLU- HA      4.90  #     1160.0
         HG3    15 PRO  HD2     3.10  #    18430.0
         HG3    15 PRO  HD3     2.70  #    45860.0
         HG3    16 GLU- HN      4.80 >#     1295.0
         HG3    29 ASP- HA      4.40  #     2134.0
         HG3    30 PHE  HN      4.00  #     3878.0
         HD2    16 GLU- HN      3.00 <#    22250.0
         HD3    16 GLU- HN      4.00 >#     3961.0
 16 GLU- 
         HN     16 GLU- HA      3.00  #    47940.0
         HN     16 GLU- HB2     2.80 <#    62360.0
         HN     16 GLU- HB3     3.50 >#    17640.0
         HN     16 GLU- HG2     3.40  #     9685.0
         HN     16 GLU- HG3     3.20  #    13790.0
         HN     17 ASP- HN      2.80  #    67660.0
         HN     17 ASP- HA      6.00  #      250.0
         HN     17 ASP- HB2     4.70  #     2787.0
         HN     18 GLY  HN      4.10  #     6036.0
         HN     27 GLY  HN      5.10  #      872.0
         HA     16 GLU- HB2     3.00  #    41970.0
         HA     16 GLU- HB3     2.90  #    60070.0
         HA     16 GLU- HG2     2.90 <#    26050.0
         HA     16 GLU- HG3     3.70 >#     6491.0
         HA     17 ASP- HN      3.50  #    17180.0
         HA     18 GLY  HN      4.90  #     2010.0
         HA     26 PRO  HA      6.00  #         .0
         HA     27 GLY  HN      3.00  #    22090.0
         HA     27 GLY  HA1     3.00 <#    21790.0
         HA     27 GLY  HA2     4.50 >#     1954.0
         HB2    16 GLU- HG2     3.80  #     5247.0
         HB2    16 GLU- HG3     3.20  #    14940.0
         HB2    17 ASP- HN      3.30  #    26260.0
         HB2    17 ASP- HA      4.90  #     2308.0
         HB3    16 GLU- HG2     2.80  #    30980.0
         HB3    16 GLU- HG3     3.70  #     6259.0
         HB3    17 ASP- HN      3.80  #    10850.0
         HB3    17 ASP- HA      5.40  #     1209.0
         HG2    17 ASP- HN      4.90  #     1136.0
         HG3    17 ASP- HN      5.20  #      798.0
 17 ASP- 
         HN     17 ASP- HA      3.10  #    33150.0
         HN     17 ASP- HB2     2.80 <#    61830.0
         HN     17 ASP- HB3     3.60 >#    15740.0
         HN     18 GLY  HN      2.50  #   122400.0
         HN     18 GLY  HA1     4.30  #     4812.0
         HN     18 GLY  HA2     4.90  #     2341.0
         HN     26 PRO  HA      5.00  #      963.0
         HN     26 PRO  HB3     4.80  #     1273.0
         HA     17 ASP- HB2     3.00  #    46080.0
         HA     17 ASP- HB3     2.70  #    86000.0
         HA     18 GLY  HN      4.80  #     2427.0
         HA     26 PRO  HA      5.00  #     1040.0
         HA     26 PRO  HB3     3.20  #    14670.0
         HA     26 PRO  HG3     4.80  #     1209.0
         HB2    18 GLY  HN      3.20 <#    27170.0
         HB3    18 GLY  HN      4.00 >#     8277.0
         HB3    26 PRO  HA      6.00  #      159.0
 18 GLY  
         HN     18 GLY  HA1     2.70  #    92760.0
         HN     18 GLY  HA2     2.90  #    57950.0
         HN     19 ASP- HN      4.70  #     2990.0
         HN     20 PRO  HD3     5.20  #      819.0
         HN     24 VAL  QG1     6.80  #      770.0
         HN     26 PRO  HA      3.20  #    15280.0
         HN     27 GLY  HN      3.70  #     5706.0
         HN     28 THR  HN      4.40  #     2255.0
         HA1    19 ASP- HN      3.10 >#    33860.0
         HA1    19 ASP- QB      5.50 <#     3745.5
         HA1    20 PRO  HD3     4.70  #     1484.0
         HA1    24 VAL  HB      4.60  #     1588.0
         HA1    24 VAL  QG1     3.90  #    21500.0
         HA1    26 PRO  HA      3.40 >#    10460.0
         HA1    27 GLY  HN      4.20  #     2706.0
         HA1    28 THR  HN      4.30  #     2498.0
         HA1    28 THR  HB      4.00  #     3874.0
         HA2    19 ASP- HN      2.40 <#   159700.0
         HA2    19 ASP- HA      4.50  #     3783.0
         HA2    19 ASP- QB      7.00 >#      134.5
         HA2    20 PRO  HA      5.80  #      689.0
         HA2    20 PRO  QG      5.80  #     1214.0
         HA2    20 PRO  HD2     4.80  #     1247.0
         HA2    20 PRO  HD3     3.20  #    13850.0
         HA2    24 VAL  HB      4.60  #     1726.0
         HA2    24 VAL  QG1     3.90  #    23880.0
         HA2    26 PRO  HA      2.60 <#    56730.0
         HA2    26 PRO  HB3     4.10  #     3218.0
         HA2    26 PRO  HG3     5.20  #      782.0
         HA2    27 GLY  HN      4.00  #     4006.0
         HA2    28 THR  HN      4.20  #     2918.0
         HA2    28 THR  HB      4.60  #     1680.0
 19 ASP- 
         HN     19 ASP- HA      3.20  #    27410.0
         HN     19 ASP- QB      4.40  #    11135.0
         HN     20 PRO  HA      4.30  #     5082.0
         HN     20 PRO  HB3     6.00  #      406.0
         HN     20 PRO  QG      5.30  #     2398.0
         HN     20 PRO  HD2     4.00 >#     4071.0
         HN     20 PRO  HD3     2.80 <#    36110.0
         HN     24 VAL  HN      3.70  #     6442.0
         HN     24 VAL  HA      4.30  #     2571.0
         HN     24 VAL  HB      2.50  #    66960.0
         HN     24 VAL  QG1     3.80 <#    26160.0
         HN     24 VAL  QG2     5.30 >#     3332.0
         HN     25 ASN  HN      4.70  #     1382.0
         HN     25 ASN  HA      4.30  #     2359.0
         HN     26 PRO  HA      4.80  #     1307.0
         HN     26 PRO  QD      7.00  #      250.5
         HA     19 ASP- QB      3.90  #    25595.0
         HA     20 PRO  HA      5.40  #     1220.0
         HA     20 PRO  QG      6.90  #      368.0
         HA     20 PRO  HD2     3.00  #    22270.0
         HA     20 PRO  HD3     3.10  #    16640.0
         HA     21 ASP- HN      4.20  #     5366.0
         HA     22 ASN  HN      6.00  #      423.0
         HA     24 VAL  HB      4.20  #     2972.0
         QB     20 PRO  HA      7.00  #      143.0
         QB     20 PRO  HD2     6.60  #      498.5
         QB     20 PRO  HD3     6.30  #      671.0
         QB     21 ASP- HN      7.00  #      241.5
         QB     22 ASN  HN      6.60  #      870.5
         QB     22 ASN  HB2     5.60  #     1711.5
         QB     22 ASN  HD21    7.00  #      158.5
         QB     24 VAL  HN      5.00  #     4004.0
         QB     24 VAL  HA      6.10  #      867.5
         QB     24 VAL  HB      3.60  #    48265.0
         QB     24 VAL  QG1     5.90  #     5745.0
         QB     24 VAL  QG2     5.40  #    10775.0
         QB     37 TRP  HD1     6.20  #      739.0
         QB     37 TRP  HE1     3.90  #    27508.0
 20 PRO  
         HA     20 PRO  HB2     3.10 >#    36020.0
         HA     20 PRO  HB3     2.70 <#    91790.0
         HA     20 PRO  QG      4.40  #     4957.5
         HA     20 PRO  HD2     4.20  #     2708.0
         HA     20 PRO  HD3     3.80  #     5077.0
         HA     21 ASP- HN      3.90  #     8522.0
         HA     22 ASN  HN      4.10  #     5875.0
         HA     23 GLY  HN      3.60  #    12900.0
         HA     24 VAL  HN      2.90  #    43320.0
         HA     24 VAL  HB      5.60  #      913.0
         HA     25 ASN  HN      4.40  #     2114.0
         HA     25 ASN  HA      3.50  #     8114.0
         HA     26 PRO  QD      6.00  #     1040.5
         HB2    20 PRO  QG      3.70  #    41470.0
         HB2    20 PRO  HD2     3.90  #     4717.0
         HB2    20 PRO  HD3     4.30  #     2622.0
         HB2    21 ASP- HN      3.70 <#    13320.0
         HB2    21 ASP- HA      4.20  #     5588.0
         HB2    23 GLY  HN      5.90  #      611.0
         HB2    26 PRO  QD      5.00  #     3633.5
         HB3    20 PRO  QG      3.60  #    49080.0
         HB3    20 PRO  HD2     4.30  #     2427.0
         HB3    20 PRO  HD3     3.50  #     9450.0
         HB3    21 ASP- HN      4.50 >#     3740.0
         HB3    24 VAL  HN      5.00  #     1820.0
         HB3    25 ASN  HA      3.30  #    13130.0
         HB3    26 PRO  HG3     6.00  #         .0
         HB3    26 PRO  QD      5.10  #     3189.5
         QG     20 PRO  HD2     3.80  #    31680.0
         QG     20 PRO  HD3     3.50  #    63200.0
         QG     21 ASP- HN      5.00  #     4104.5
         QG     26 PRO  QD      6.90  #     1145.5
         HD2    21 ASP- HN      3.00 <#    20320.0
         HD3    21 ASP- HN      4.20 >#     2981.0
         HD3    24 VAL  HB      4.90  #     1078.0
         HD3    25 ASN  HA      6.00  #         .0
         HD3    26 PRO  QD      4.40  #    10655.0
 21 ASP- 
         HN     21 ASP- HA      3.10  #    32980.0
         HN     21 ASP- HB2     2.80 <#    66540.0
         HN     21 ASP- HB3     3.40 >#    20080.0
         HN     22 ASN  HN      2.90  #    50940.0
         HN     22 ASN  HA      5.40  #     1188.0
         HN     22 ASN  HB2     5.60  #     1034.0
         HN     22 ASN  HD21    3.40 <#    10290.0
         HN     22 ASN  HD22    4.90 >#     1144.0
         HN     23 GLY  HN      4.40  #     3754.0
         HN     24 VAL  HN      5.40  #     1101.0
         HA     21 ASP- HB2     3.20  #    31370.0
         HA     21 ASP- HB3     2.90  #    59480.0
         HA     22 ASN  HN      3.90  #     9019.0
         HA     22 ASN  HA      5.50  #     1127.0
         HA     23 GLY  HN      4.70  #     2371.0
         HB2    22 ASN  HN      3.40 <#    20840.0
         HB2    22 ASN  HA      5.10  #     1686.0
         HB2    22 ASN  HD21    3.60  #     6823.0
         HB2    22 ASN  HD22    4.20  #     2731.0
         HB3    22 ASN  HN      4.00 >#     7120.0
         HB3    22 ASN  HA      5.10  #     1736.0
         HB3    22 ASN  HD21    4.60  #     1650.0
         HB3    22 ASN  HD22    5.50  #      548.0
 22 ASN  
         HN     22 ASN  HA      3.40  #    21820.0
         HN     22 ASN  HB2     3.00 <#    45390.0
         HN     22 ASN  HB3     3.70 >#    11980.0
         HN     22 ASN  HD21    4.00 <#     3778.0
         HN     22 ASN  HD22    5.80 >#      401.0
         HN     23 GLY  HN      2.80  #    68880.0
         HN     23 GLY  HA1     4.70 <#     3033.0
         HN     23 GLY  HA2     5.60 >#      980.0
         HN     24 VAL  HN      3.60  #    12370.0
         HN     24 VAL  HB      6.00  #      439.0
         HN     24 VAL  QG2     6.90  #      720.0
         HN     37 TRP  HE1     4.70  #     1448.0
         HA     22 ASN  HB2     3.10 >#    33460.0
         HA     22 ASN  HB3     2.70 <#    85360.0
         HA     22 ASN  HD21    4.60 <#     1555.0
         HA     22 ASN  HD22    6.00 >#      220.0
         HA     23 GLY  HN      3.40  #    20400.0
         HA     23 GLY  HA1     4.80  #     2481.0
         HA     23 GLY  HA2     4.60  #     3207.0
         HA     24 VAL  HN      5.20  #     1418.0
         HB2    22 ASN  HD21    2.80  #    32510.0
         HB2    22 ASN  HD22    3.60  #     7462.0
         HB2    23 GLY  HN      4.80  #     2489.0
         HB2    24 VAL  HN      4.70 <#     2413.0
         HB2    37 TRP  HD1     4.00  #     3714.0
         HB2    37 TRP  HE1     2.90 <#    25504.0
         HB3    22 ASN  HD21    3.50  #     9040.0
         HB3    22 ASN  HD22    4.10  #     3318.0
         HB3    23 GLY  HN      4.90  #     2242.0
         HB3    24 VAL  HN      6.00 >#      252.0
         HB3    37 TRP  HD1     3.60  #     7121.0
         HB3    37 TRP  HE1     4.10 >#     3474.0
         HD21   24 VAL  QG1     7.00  #      469.0
         HD21   37 TRP  HE1     5.80  #      400.0
         HD22   40 PRO  HB2     4.00  #     3688.0
         HD22   40 PRO  HB3     4.40  #     2264.0
         HD22   40 PRO  HG2     4.40  #     2176.0
 23 GLY  
         HN     23 GLY  HA1     2.50 <#   130800.0
         HN     23 GLY  HA2     3.00 >#    40540.0
         HN     24 VAL  HN      3.10  #    38100.0
         HN     24 VAL  HB      5.40  #     1243.0
         HN     24 VAL  QG1     7.00 >#      263.0
         HN     24 VAL  QG2     5.50 <#     2828.0
         HA1    24 VAL  HN      3.30  #    24780.0
         HA1    24 VAL  HA      4.70  #     3068.0
         HA1    24 VAL  QG2     6.50  #      978.0
         HA2    24 VAL  HN      3.50  #    15890.0
         HA2    24 VAL  HA      4.80  #     2534.0
         HA2    24 VAL  QG2     5.00  #     5085.0
 24 VAL  
         HN     24 VAL  HA      3.20  #    27640.0
         HN     24 VAL  HB      2.80  #    62040.0
         HN     24 VAL  QG1     4.80 >#     4463.0
         HN     24 VAL  QG2     3.70 <#    22030.0
         HN     25 ASN  HN      4.50  #     3980.0
         HN     37 TRP  HE1     5.40  #      600.0
         HA     24 VAL  HB      3.70  #    12240.0
         HA     24 VAL  QG1     3.30  #    60730.0
         HA     24 VAL  QG2     3.30  #    58430.0
         HA     25 ASN  HN      2.40  #   190400.0
         HA     25 ASN  HA      4.70  #     2844.0
         HA     25 ASN  HB2     4.50  #     3533.0
         HA     28 THR  HB      4.70  #     2570.0
         HA     28 THR  QG2     5.10  #     4507.0
         HA     28 THR  HG1     4.40  #     2187.0
         HB     24 VAL  QG1     3.30  #    74060.0
         HB     24 VAL  QG2     3.30  #    69360.0
         HB     25 ASN  HN      4.40  #     4607.0
         HB     33 ILE  QG2     6.40  #     1096.0
         HB     33 ILE  QD1     6.00  #     1727.0
         HB     37 TRP  HD1     5.30  #      676.0
         HB     37 TRP  HE1     4.00  #     3568.0
         QG1    25 ASN  HN      4.20 <#    14760.0
         QG1    25 ASN  HB2     6.10  #     1460.0
         QG1    27 GLY  HN      7.00  #      664.0
         QG1    28 THR  HN      4.70  #     7101.0
         QG1    28 THR  HB      3.30  #   112100.0
         QG1    28 THR  QG2     4.60 <#    36470.0
         QG1    28 THR  HG1     4.30  #    12890.0
         QG1    30 PHE  QD      9.00  #      204.5
         QG1    33 ILE  HA      4.80  #     6521.0
         QG1    33 ILE  QG2     5.20 >#    14520.0
         QG1    33 ILE  HG12    3.50  #    39710.0
         QG1    33 ILE  HG13    4.60  #     7817.0
         QG1    33 ILE  QD1     5.00  #    20090.0
         QG1    34 PRO  HD2     5.60  #     2541.0
         QG1    34 PRO  HD3     5.90  #     1896.0
         QG1    37 TRP  HD1     6.60 >#      898.0
         QG2    25 ASN  HN      5.70 >#     2325.0
         QG2    28 THR  QG2     5.60 >#     7884.0
         QG2    33 ILE  HA      4.80  #     6561.0
         QG2    33 ILE  QG2     4.50 <#    44030.0
         QG2    33 ILE  HG12    4.10  #    17500.0
         QG2    33 ILE  HG13    6.00  #     1592.0
         QG2    33 ILE  QD1     5.30  #    12160.0
         QG2    34 PRO  HG2     6.90  #      677.0
         QG2    34 PRO  HG3     7.00  #      652.0
         QG2    34 PRO  HD2     3.80  #    25350.0
         QG2    34 PRO  HD3     4.40  #    10080.0
         QG2    37 TRP  HB2     6.00  #     1595.0
         QG2    37 TRP  HB3     6.90  #      727.0
         QG2    37 TRP  HD1     3.90 <#    20930.0
         QG2    37 TRP  HE1     4.20  #    13416.0
 25 ASN  
         HN     25 ASN  HA      3.20  #    29910.0
         HN     25 ASN  HB2     2.70 <#    76630.0
         HN     25 ASN  HB3     3.50 >#    18370.0
         HN     25 ASN  HD21    3.80  #     5233.0
         HN     25 ASN  HD22    3.80  #     5036.0
         HN     26 PRO  QD      5.70  #     1427.0
         HN     28 THR  HB      4.40  #     3898.0
         HN     28 THR  QG2     5.50  #     2845.0
         HN     28 THR  HG1     3.60  #     7868.0
         HA     25 ASN  HB2     3.60 >#    14170.0
         HA     25 ASN  HB3     2.80 <#    68990.0
         HA     25 ASN  HD21    3.30  #    12900.0
         HA     25 ASN  HD22    6.00  #         .0
         HA     26 PRO  QD      4.20  #    15455.0
         HB2    25 ASN  HD21    2.70  #    40000.0
         HB2    25 ASN  HD22    3.70  #     6464.0
         HB2    26 PRO  QD      4.50 >#     8035.0
         HB2    28 THR  QG2     7.00  #       98.0
         HB2    28 THR  HG1     3.40 <#    10670.0
         HB3    25 ASN  HD21    3.60  #     7754.0
         HB3    25 ASN  HD22    4.20  #     2824.0
         HB3    26 PRO  QD      3.70 <#    40085.0
         HB3    28 THR  HG1     4.10 >#     3126.0
         HD21   26 PRO  QD      7.00  #      204.5
 26 PRO  
         HA     26 PRO  HB2     3.00 >#    44860.0
         HA     26 PRO  HB3     2.60 <#   114500.0
         HA     26 PRO  HG2     4.10  #     3084.0
         HA     26 PRO  HG3     3.90  #     4773.0
         HA     27 GLY  HN      2.40  #   186400.0
         HA     27 GLY  HA1     4.60  #     3093.0
         HA     27 GLY  HA2     4.60  #     3423.0
         HA     28 THR  HN      3.50  #    14520.0
         HB2    26 PRO  HG2     2.60  #    47740.0
         HB2    26 PRO  HG3     2.70  #    38670.0
         HB2    26 PRO  QD      4.10  #    17815.0
         HB2    27 GLY  HN      3.90  #     8722.0
         HB2    27 GLY  HA1     6.00  #      118.0
         HB2    27 GLY  HA2     6.00  #      451.0
         HB3    26 PRO  HG2     3.10  #    19750.0
         HB3    26 PRO  HG3     2.70  #    43960.0
         HB3    26 PRO  QD      4.40  #    10105.0
         HB3    27 GLY  HN      3.50  #    16510.0
         HB3    27 GLY  HA1     6.00  #      293.0
         HG2    26 PRO  QD      4.10  #    19545.0
         HG2    27 GLY  HN      5.50  #      540.0
         HG3    26 PRO  QD      4.40  #     9800.0
 27 GLY  
         HN     27 GLY  HA1     2.50 <#   122000.0
         HN     27 GLY  HA2     3.10 >#    34470.0
         HN     28 THR  HN      2.90  #    51020.0
         HN     28 THR  HG1     5.40  #      654.0
         HA1    28 THR  HN      3.30  #    24280.0
         HA1    28 THR  HA      4.60  #     3323.0
         HA2    28 THR  HN      3.70  #    13020.0
         HA2    28 THR  HA      4.50  #     3613.0
 28 THR  
         HN     28 THR  HA      3.40  #    21970.0
         HN     28 THR  HB      2.80  #    70050.0
         HN     28 THR  QG2     4.30  #     9238.0
         HN     28 THR  HG1     3.00  #    20940.0
         HN     29 ASP- HN      4.60  #     3445.0
         HA     28 THR  HB      3.60  #    14950.0
         HA     28 THR  QG2     3.30  #    54030.0
         HA     28 THR  HG1     3.80  #     5400.0
         HA     29 ASP- HN      2.40  #   167700.0
         HA     29 ASP- HA      5.80  #      821.0
         HA     29 ASP- HB2     4.30 <#     4967.0
         HA     29 ASP- HB3     5.20 >#     1592.0
         HA     32 ASP- HB2     5.00  #     1647.0
         HB     28 THR  QG2     3.30  #   126800.0
         HB     28 THR  HG1     2.50  #    61620.0
         HB     29 ASP- HN      4.30  #     5074.0
         HB     33 ILE  HG12    3.80  #     4935.0
         QG2    28 THR  HG1     4.10  #    12100.0
         QG2    29 ASP- HN      3.60  #    33680.0
         QG2    29 ASP- HA      5.80  #     2108.0
         QG2    29 ASP- HB2     5.70  #     2138.0
         QG2    29 ASP- HB3     5.50  #     2761.0
         QG2    30 PHE  HA      5.40  #     3096.0
         QG2    32 ASP- HN      4.90  #     5952.0
         QG2    32 ASP- HB2     3.30  #    61930.0
         QG2    32 ASP- HB3     3.70  #    33140.0
         QG2    33 ILE  HN      3.70  #    32810.0
         QG2    33 ILE  HA      3.30  #    64280.0
         QG2    34 PRO  HD2     5.20  #     3957.0
         QG2    34 PRO  HD3     4.70  #     7663.0
         HG1    29 ASP- HN      6.00  #      345.0
 29 ASP- 
         HN     29 ASP- HA      3.10  #    33350.0
         HN     29 ASP- HB2     2.70  #    90390.0
         HN     29 ASP- HB3     2.80  #    64960.0
         HN     30 PHE  HN      4.70  #     2857.0
         HN     31 LYS+ HN      6.00  #      424.0
         HN     31 LYS+ HG2     6.00  #      247.0
         HN     32 ASP- HN      4.50  #     3085.0
         HN     32 ASP- HB2     3.50 <#    15140.0
         HN     32 ASP- HB3     4.80 >#     2116.0
         HA     29 ASP- HB2     2.80  #    61060.0
         HA     29 ASP- HB3     3.00  #    43320.0
         HA     30 PHE  HN      2.60  #   110300.0
         HA     30 PHE  HA      4.40  #     4227.0
         HA     31 LYS+ HN      4.10  #     6037.0
         HB2    30 PHE  HN      4.40  #     4454.0
         HB2    31 LYS+ HN      4.10 >#     5383.0
         HB2    31 LYS+ HG2     3.90  #     4197.0
         HB2    31 LYS+ HG3     6.00  #      225.0
         HB2    32 ASP- HN      4.90 >#     1969.0
         HB3    30 PHE  HN      4.10  #     6195.0
         HB3    31 LYS+ HN      3.50 <#    15020.0
         HB3    31 LYS+ QB      7.00  #      315.0
         HB3    31 LYS+ HG2     3.20  #    13900.0
         HB3    31 LYS+ HG3     4.50  #     1898.0
         HB3    31 LYS+ QE      5.40  #     2134.5
         HB3    32 ASP- HN      3.40 <#    17140.0
 30 PHE  
         HN     30 PHE  HA      3.00  #    41420.0
         HN     30 PHE  HB2     2.60  #   105520.0
         HN     30 PHE  HB3     2.90  #    55270.0
         HN     30 PHE  QD      6.00  #     3702.0
         HN     31 LYS+ HN      3.30  #    24730.0
         HN     31 LYS+ QB      7.00  #      121.5
         HN     31 LYS+ HG2     5.80  #      387.0
         HN     32 ASP- HN      4.80  #     2221.0
         HN     33 ILE  HG13    4.30  #     2456.0
         HN     33 ILE  QD1     5.80  #     1936.0
         HA     30 PHE  HB2     2.60 <#   110960.0
         HA     30 PHE  HB3     3.10 >#    34850.0
         HA     30 PHE  QD      3.90  #    28868.0
         HA     30 PHE  QE      6.40  #      426.0
         HA     31 LYS+ HN      3.90  #     9649.0
         HA     31 LYS+ HA      5.80  #      834.0
         HA     32 ASP- HN      4.60  #     2980.0
         HA     33 ILE  HN      3.50  #    15720.0
         HA     33 ILE  HB      3.40  #    18980.0
         HA     33 ILE  QG2     4.70  #     7453.0
         HA     33 ILE  HG12    3.40 >#    10200.0
         HA     33 ILE  HG13    2.40 <#    85670.0
         HA     33 ILE  QD1     3.30  #    76200.0
         HA     46 LYS+ HE3     4.30  #     2584.0
         HB2    30 PHE  QD      4.70  #    37872.0
         HB2    30 PHE  QE      8.00 >#      127.5
         HB2    31 LYS+ HN      3.90 >#     9157.0
         HB2    33 ILE  QD1     5.20 <#     3827.0
         HB3    30 PHE  QD      4.70  #    43635.0
         HB3    30 PHE  QE      6.60 <#     1575.5
         HB3    31 LYS+ HN      3.10 <#    33560.0
         HB3    31 LYS+ HA      4.50  #     3618.0
         HB3    32 ASP- HN      5.70  #      760.0
         HB3    33 ILE  QD1     6.20 >#     1284.0
         QD     30 PHE  QE      6.80  #    33240.0
         QD     30 PHE  HZ      7.50  #      540.0
         QD     31 LYS+ HN      6.00  #     3784.0
         QD     31 LYS+ HA      5.80  #     5435.0
         QD     31 LYS+ QB      9.00  #      103.2
         QD     31 LYS+ HG2     7.50 <#      530.0
         QD     31 LYS+ HG3     8.00 >#      129.0
         QD     32 ASP- HN      8.00  #      262.5
         QD     33 ILE  HB      7.20  #      791.0
         QD     33 ILE  QG2     9.00  #      446.0
         QD     33 ILE  HG12    7.40  #      653.5
         QD     33 ILE  HG13    6.60  #     1551.0
         QD     33 ILE  QD1     6.00  #    19975.0
         QD     37 TRP  HH2     5.90  #     4207.0
         QD     46 LYS+ QB      9.00  #       72.5
         QD     46 LYS+ HE2     4.80 <#    35452.0
         QD     46 LYS+ HE3     6.90 >#     1180.0
         QD     46 LYS+ QZ      6.90  #     4528.0
         QE     30 PHE  HZ      4.70  #    38656.0
         QE     33 ILE  QD1     8.20  #     1336.0
         QE     37 TRP  HZ3     7.20  #      811.0
         QE     37 TRP  HH2     8.00  #      159.5
         QE     46 LYS+ QB      7.30  #     2354.0
         QE     46 LYS+ QG      8.30  #      720.0
         QE     46 LYS+ HE2     6.30 <#     2344.0
         QE     46 LYS+ HE3     8.00 >#      238.5
         QE     49 PHE  HB3     6.00  #     3920.0
         HZ     46 LYS+ HA      3.50  #     8144.0
         HZ     46 LYS+ QB      4.40  #    11208.0
         HZ     46 LYS+ QG      5.70  #     1508.0
         HZ     46 LYS+ HE2     4.50  #     1856.0
         HZ     49 PHE  HB3     2.90  #    28896.0
 31 LYS+ 
         HN     31 LYS+ HA      3.00  #    41560.0
         HN     31 LYS+ QB      4.00  #    21675.0
         HN     31 LYS+ HG2     2.80 <#    31840.0
         HN     31 LYS+ HG3     3.40 >#    10560.0
         HN     31 LYS+ QD      4.20  #    14680.0
         HN     31 LYS+ QE      6.80  #      418.5
         HN     32 ASP- HN      3.10  #    37040.0
         HN     32 ASP- HB2     6.00  #      691.0
         HN     33 ILE  HN      4.50  #     3380.0
         HN     33 ILE  HG13    4.70  #     1382.0
         HA     31 LYS+ QB      4.10  #    34515.0
         HA     31 LYS+ HG2     3.60  #     7632.0
         HA     31 LYS+ HG3     4.00  #     3584.0
         HA     31 LYS+ QD      4.60  #     7750.0
         HA     31 LYS+ QE      7.00  #      178.5
         HA     32 ASP- HN      3.70  #    12000.0
         HA     32 ASP- HA      5.80  #      836.0
         HA     33 ILE  HN      4.00  #     6397.0
         HA     46 LYS+ HE2     4.60  #     1568.0
         HA     46 LYS+ HE3     5.00  #     1032.0
         HA     46 LYS+ QZ      4.60  #     7024.0
         QB     31 LYS+ HG2     3.90  #    29005.0
         QB     31 LYS+ HG3     3.70  #    41210.0
         QB     31 LYS+ QD      5.10  #    19655.0
         QB     31 LYS+ QE      6.80  #     1286.2
         QB     32 ASP- HN      5.80  #     2443.5
         HG2    31 LYS+ QD      3.90  #    29220.0
         HG2    31 LYS+ QE      4.70  #     6445.0
         HG2    32 ASP- HN      3.60  #     6959.0
         HG2    32 ASP- HB2     6.00  #      256.0
         HG2    32 ASP- HB3     6.00  #      102.0
         HG3    31 LYS+ QD      4.20  #    14640.0
         HG3    31 LYS+ QE      4.90  #     4347.0
         HG3    32 ASP- HN      3.90  #     4533.0
         HG3    33 ILE  HN      4.90  #     1077.0
         QD     31 LYS+ QE      5.20  #    16105.0
         QE     32 ASP- HN      7.00  #      209.5
 32 ASP- 
         HN     32 ASP- HA      3.30  #    23940.0
         HN     32 ASP- HB2     2.80 <#    68610.0
         HN     32 ASP- HB3     3.60 >#    15440.0
         HN     33 ILE  HN      2.70  #    76180.0
         HN     33 ILE  HA      5.10  #     1726.0
         HN     33 ILE  HB      4.90  #     2255.0
         HN     33 ILE  QG2     7.00  #      328.0
         HN     33 ILE  HG12    5.30 >#      703.0
         HN     33 ILE  HG13    4.00 <#     4054.0
         HN     33 ILE  QD1     6.70  #      817.0
         HA     32 ASP- HB2     3.30 >#    26120.0
         HA     32 ASP- HB3     2.70 <#    81290.0
         HA     33 ILE  HN      3.60  #    14380.0
         HB2    33 ILE  HN      3.90  #     9239.0
         HB2    33 ILE  HA      5.20  #     1654.0
         HB3    33 ILE  HN      4.40  #     4546.0
         HB3    33 ILE  HA      5.20  #     1632.0
 33 ILE  
         HN     33 ILE  HA      3.00  #    44550.0
         HN     33 ILE  HB      2.70  #    92800.0
         HN     33 ILE  QG2     4.20  #    10720.0
         HN     33 ILE  HG12    3.00 >#    22990.0
         HN     33 ILE  HG13    2.40 <#    87840.0
         HN     33 ILE  QD1     4.30  #     9267.0
         HN     34 PRO  HD2     5.10  #      857.0
         HN     34 PRO  HD3     4.70  #     1527.0
         HN     46 LYS+ HE3     4.40  #     2114.0
         HN     46 LYS+ QZ      3.70  #    40840.0
         HA     33 ILE  HB      3.00  #    44890.0
         HA     33 ILE  QG2     3.30  #    52610.0
         HA     33 ILE  HG12    2.40 <#    77550.0
         HA     33 ILE  HG13    4.10 >#     3258.0
         HA     33 ILE  QD1     4.40  #     7482.0
         HA     34 PRO  HA      5.80  #      802.0
         HA     34 PRO  HG2     4.70  #     1402.0
         HA     34 PRO  HG3     4.30  #     2432.0
         HA     34 PRO  HD2     2.60 >#    59270.0
         HA     34 PRO  HD3     2.30 <#   223500.0
         HA     46 LYS+ QZ      5.70  #     1401.5
         HB     33 ILE  QG2     3.30  #    52470.0
         HB     33 ILE  HG12    3.00  #    24190.0
         HB     33 ILE  HG13    2.60  #    59440.0
         HB     33 ILE  QD1     3.30  #    41600.0
         HB     34 PRO  HD2     4.10  #     3377.0
         HB     34 PRO  HD3     4.60  #     1673.0
         HB     37 TRP  HB2     5.90  #      351.0
         HB     37 TRP  HB3     5.20  #      781.0
         HB     46 LYS+ QG      5.20  #     2900.0
         HB     46 LYS+ HD2     3.30 <#    12864.0
         HB     46 LYS+ HD3     4.50 >#     1984.0
         HB     46 LYS+ HE2     4.30 >#     2613.0
         HB     46 LYS+ HE3     2.70 <#    41072.0
         HB     46 LYS+ QZ      4.50  #     8952.0
         QG2    33 ILE  HG12    3.30  #    41480.0
         QG2    33 ILE  HG13    3.70  #    23192.0
         QG2    33 ILE  QD1     4.30  #    55860.0
         QG2    34 PRO  HA      6.20  #     1406.0
         QG2    34 PRO  HB2     5.40 <#     3028.0
         QG2    34 PRO  HB3     7.00 >#      670.0
         QG2    34 PRO  HG2     6.30  #     1202.0
         QG2    34 PRO  HG3     6.10  #     1558.0
         QG2    34 PRO  HD2     3.30 <#    73910.0
         QG2    34 PRO  HD3     4.00 >#    19650.0
         QG2    35 ASP- HN      7.00  #      487.0
         QG2    36 ASP- HN      6.90  #      714.0
         QG2    37 TRP  HN      4.90  #     5605.0
         QG2    37 TRP  HA      6.60  #      883.0
         QG2    37 TRP  HB2     3.50  #    44460.0
         QG2    37 TRP  HB3     3.50  #    41250.0
         QG2    37 TRP  HD1     5.40  #     3086.0
         QG2    37 TRP  HE3     4.40  #    10120.0
         QG2    37 TRP  HE1     7.00  #      258.0
         QG2    46 LYS+ QG      6.20  #     3692.0
         QG2    46 LYS+ HD2     3.90 <#    21688.0
         QG2    46 LYS+ HD3     4.80 >#     6448.0
         QG2    46 LYS+ HE2     7.00 >#      512.0
         QG2    46 LYS+ HE3     5.30 <#     3426.0
         QG2    46 LYS+ QZ      8.00  #         .0
         HG12   33 ILE  QD1     3.30  #    60120.0
         HG12   34 PRO  HD2     3.90  #     4166.0
         HG12   34 PRO  HD3     3.90  #     4539.0
         HG12   46 LYS+ HE3     5.30  #      696.0
         HG13   33 ILE  QD1     3.30  #    78180.0
         HG13   46 LYS+ QZ      5.10  #     3524.0
         QD1    34 PRO  HD2     5.70  #     2227.0
         QD1    37 TRP  HB2     6.50  #      970.0
         QD1    37 TRP  HB3     6.40  #     1061.0
         QD1    37 TRP  HE3     7.00  #      502.0
         QD1    46 LYS+ HD2     6.70  #      876.0
         QD1    46 LYS+ HE2     6.20 >#     1363.0
         QD1    46 LYS+ HE3     5.00 <#     5208.0
 34 PRO  
         HA     34 PRO  HB2     3.20 >#    28510.0
         HA     34 PRO  HB3     2.60 <#   100400.0
         HA     34 PRO  HG2     3.80 >#     5400.0
         HA     34 PRO  HG3     3.20 <#    14950.0
         HA     34 PRO  HD2     3.70  #     6252.0
         HA     34 PRO  HD3     3.60  #     7249.0
         HA     35 ASP- HN      2.50  #   130200.0
         HA     35 ASP- HB2     4.70 <#     2886.0
         HA     35 ASP- HB3     6.00 >#      338.0
         HA     36 ASP- HN      4.20  #     4727.0
         HB2    34 PRO  HG2     2.50  #    74720.0
         HB2    34 PRO  HG3     2.60  #    59420.0
         HB2    34 PRO  HD2     3.80  #     5250.0
         HB2    34 PRO  HD3     3.80  #     5668.0
         HB2    35 ASP- HN      3.70  #    12740.0
         HB2    36 ASP- HN      3.20  #    24590.0
         HB2    37 TRP  HN      3.80 <#     8934.0
         HB2    37 TRP  HA      6.00  #      207.0
         HB2    37 TRP  HB2     4.00  #     3891.0
         HB2    37 TRP  HB3     4.60  #     1718.0
         HB3    34 PRO  HG2     2.60  #    51270.0
         HB3    34 PRO  HG3     2.70  #    37990.0
         HB3    34 PRO  HD2     4.10  #     3230.0
         HB3    34 PRO  HD3     3.60  #     7211.0
         HB3    35 ASP- HN      3.70  #    12880.0
         HB3    36 ASP- HN      3.70  #    10250.0
         HB3    37 TRP  HN      4.80 >#     2118.0
         HG2    34 PRO  HD2     2.50  #    65630.0
         HG2    34 PRO  HD3     2.80  #    33740.0
         HG2    35 ASP- HN      5.60  #      500.0
         HG2    36 ASP- HN      5.40  #      630.0
         HG3    34 PRO  HD2     2.60  #    47520.0
         HG3    34 PRO  HD3     2.60  #    56860.0
         HG3    35 ASP- HN      5.70  #      467.0
         HG3    36 ASP- HN      6.00  #      262.0
         HD2    36 ASP- HN      5.70  #      447.0
         HD2    37 TRP  HN      5.00  #     1016.0
         HD2    37 TRP  HB2     3.00  #    20040.0
         HD2    37 TRP  HB3     3.50  #     8305.0
         HD2    37 TRP  HD1     4.90 <#     1109.0
         HD3    37 TRP  HN      5.70  #      456.0
         HD3    37 TRP  HB2     4.90  #     1087.0
         HD3    37 TRP  HD1     6.00 >#      293.0
 35 ASP- 
         HN     35 ASP- HA      3.20  #    28680.0
         HN     35 ASP- HB2     2.80  #    71710.0
         HN     35 ASP- HB3     3.20  #    29030.0
         HN     36 ASP- HN      3.40  #    19850.0
         HN     37 TRP  HN      4.60  #     2864.0
         HN     46 LYS+ HD2     6.00  #      182.0
         HN     46 LYS+ HD3     6.00  #      248.0
         HA     35 ASP- HB2     3.20  #    31720.0
         HA     35 ASP- HB3     2.90  #    52100.0
         HA     36 ASP- HN      3.70  #    12570.0
         HA     37 TRP  HN      5.10  #     1581.0
         HA     37 TRP  HB2     6.00 >#      331.0
         HA     37 TRP  HB3     5.20 <#     1332.0
         HA     46 LYS+ QB      7.00  #      110.5
         HA     46 LYS+ QG      6.90  #      360.0
         HA     46 LYS+ HD2     3.40 >#     9807.0
         HA     46 LYS+ HD3     2.70 <#    39256.0
         HA     46 LYS+ HE2     4.70  #     1408.0
         HA     46 LYS+ HE3     5.10  #      928.0
         HA     46 LYS+ QZ      5.50  #     1960.0
         HB2    36 ASP- HN      3.90  #     9467.0
         HB3    36 ASP- HN      4.00  #     8091.0
         HB3    46 LYS+ HD2     5.90  #      350.0
         HB3    46 LYS+ HD3     6.00  #         .0
 36 ASP- 
         HN     36 ASP- HA      3.30  #    26600.0
         HN     36 ASP- HB2     3.50  #    18820.0
         HN     36 ASP- HB3     3.20  #    28160.0
         HN     37 TRP  HN      2.90  #    52130.0
         HN     37 TRP  HA      6.00  #      613.0
         HN     37 TRP  HB2     4.70  #     2956.0
         HN     37 TRP  HB3     5.00  #     2079.0
         HA     36 ASP- HB2     2.70  #    85230.0
         HA     36 ASP- HB3     2.70  #    85750.0
         HA     37 TRP  HN      3.40  #    21200.0
         HB2    37 TRP  HN      4.80 <#     2489.0
         HB3    37 TRP  HN      5.80 >#      789.0
 37 TRP  
         HN     37 TRP  HA      3.50  #    16352.0
         HN     37 TRP  HB2     2.70  #    94080.0
         HN     37 TRP  HB3     2.60  #   103840.0
         HN     37 TRP  HE3     4.30  #     2376.0
         HN     46 LYS+ HD2     5.00  #      997.0
         HA     37 TRP  HB2     3.10  #    39910.0
         HA     37 TRP  HB3     3.50  #    18700.0
         HA     37 TRP  HD1     4.30  #     2617.0
         HA     38 VAL  HN      2.90  #    56120.0
         HB2    37 TRP  HD1     2.80 <#    31488.0
         HB2    37 TRP  HE3     4.00 >#     3688.0
         HB2    37 TRP  HE1     6.00  #      251.0
         HB2    38 VAL  HN      6.00  #      444.0
         HB2    46 LYS+ HD2     5.10  #      904.0
         HB3    37 TRP  HD1     4.00 >#     4120.0
         HB3    37 TRP  HE3     2.70 <#    42328.0
         HB3    38 VAL  HN      5.60  #      960.0
         HB3    46 LYS+ QG      7.00  #      204.0
         HB3    46 LYS+ HD2     3.90  #     4640.0
         HB3    46 LYS+ HD3     5.60  #      496.0
         HB3    46 LYS+ HE3     5.80  #      419.0
         HD1    37 TRP  HE1     2.60  #    58704.0
         HD1    38 VAL  HN      3.40  #    10376.0
         HE3    37 TRP  HZ3     2.90  #    30040.0
         HE3    38 VAL  HN      4.10  #     3503.0
         HE3    46 LYS+ HA      5.80  #      396.0
         HE3    46 LYS+ QB      4.40  #    10004.0
         HE3    46 LYS+ QG      4.60  #     7068.0
         HE3    46 LYS+ HD2     5.80  #      408.0
         HE1    37 TRP  HZ2     3.20  #    14264.0
         HE1    37 TRP  HH2     6.00  #         .0
         HZ3    37 TRP  HZ2     4.00  #     3856.0
         HZ3    37 TRP  HH2     2.50  #    64430.0
         HZ3    46 LYS+ QG      5.50  #     1964.0
         HZ2    37 TRP  HH2     2.50  #    70984.0
 38 VAL  
         HN     38 VAL  HB      3.60  #    14672.0
 40 PRO  
         HB2    40 PRO  HG2     3.10  #    19232.0
         HB3    40 PRO  HG2     2.50  #    61128.0
         HG2    40 PRO  QD      4.30  #    13104.0
 41 LEU  
         HG     41 LEU  QD1     3.80  #    17512.0
         HG     41 LEU  QD2     3.30  #    40896.0
 45 GLY  
         HN     45 GLY  HA2     3.50  #    18368.0
         HA1    46 LYS+ HN      3.20  #    28272.0
         HA2    46 LYS+ HN      3.20  #    27296.0
 46 LYS+ 
         HN     46 LYS+ HA      4.30  #     5272.0
         HN     46 LYS+ QB      3.60  #    48960.0
         HN     46 LYS+ QG      5.90  #     1196.0
         HA     46 LYS+ QB      4.70  #    11468.0
         HA     46 LYS+ QG      5.30  #     1420.0
         HA     46 LYS+ HD3     6.00  #       66.0
         QB     46 LYS+ QG      4.50  #    74740.0
         QB     46 LYS+ HD2     4.20  #    13908.0
         QB     46 LYS+ HD3     4.40  #    10576.0
         QB     46 LYS+ HE2     3.80  #    33908.0
         QB     46 LYS+ HE3     3.90  #    27148.0
         QB     46 LYS+ QZ      8.00  #         .0
         QB     47 ASP- HN      4.40  #    22360.0
         QG     46 LYS+ HD2     4.00  #    21868.0
         QG     46 LYS+ HD3     3.70  #    44560.0
         QG     46 LYS+ HE2     5.60 >#     1747.5
         QG     46 LYS+ HE3     4.40 <#    10796.0
         HD2    46 LYS+ HE2     3.10  #    18384.0
         HD2    46 LYS+ HE3     2.50  #    69024.0
         HD2    46 LYS+ QZ      4.60  #     7448.0
         HD3    46 LYS+ HE2     3.00  #    22816.0
         HD3    46 LYS+ HE3     3.00  #    21432.0
         HD3    46 LYS+ QZ      4.60  #     7616.0
         HE2    46 LYS+ QZ      4.00  #    21704.0
         HE3    46 LYS+ QZ      4.20  #    16096.0
 47 ASP- 
         HN     47 ASP- HA      3.60  #    14360.0
         HN     47 ASP- QB      3.80  #    28416.0
         HN     48 GLN  HN      4.10  #     6400.0
         HA     47 ASP- QB      4.50  #     9645.0
 48 GLN  
         HN     48 GLN  HA      5.10  #     1840.0
 49 PHE  
         HA     50 GLU- HN      4.20  #     5392.0
         HB2    50 GLU- HN      4.10  #     6536.0
         QD     49 PHE  QE      7.40  #    10830.0
 50 GLU- 
         HN     50 GLU- HA      3.70  #    13216.0
         HN     50 GLU- HB2     3.90  #     9496.0
         HN     50 GLU- HB3     4.30  #     5240.0
         HN     50 GLU- HG2     4.10  #     3104.0
         HA     50 GLU- HB2     3.50 >#    17456.0
         HA     50 GLU- HB3     2.80 <#    63408.0
         HA     50 GLU- HG2     4.00  #     3720.0
         HA     50 GLU- HG3     4.30  #     2360.0
         HA     51 GLU- HN      2.80  #    67220.0
         HA     51 GLU- HA      5.10  #     1827.0
         HA     51 GLU- QB      6.80  #      826.0
         HB2    50 GLU- HG2     3.40  #    10168.0
         HB2    50 GLU- HG3     2.90  #    30016.0
         HB2    51 GLU- HN      4.10  #     6656.0
         HB3    50 GLU- HG2     2.60  #    57672.0
         HB3    50 GLU- HG3     3.20  #    13968.0
         HB3    51 GLU- HN      3.60  #    14472.0
 51 GLU- 
         HN     51 GLU- HA      3.30  #    23310.0
         HN     51 GLU- QB      3.70  #    33290.0
         HN     51 GLU- HG2     4.00  #     4103.0
         HN     51 GLU- HG3     4.50  #     2015.0
         HN     52 VAL  HN      4.80  #     2608.0
         HA     51 GLU- QB      4.30  #    25135.0
         HA     51 GLU- HG2     3.60  #     7311.0
         HA     51 GLU- HG3     3.40  #     9765.0
         HA     52 VAL  HN      2.40  #   171100.0
         HA     52 VAL  HA      4.60  #     3117.0
         HA     52 VAL  HB      4.50  #     3665.0
         HA     52 VAL  QG2     5.60  #     2435.0
         QB     51 GLU- HG2     3.60  #    49880.0
         QB     51 GLU- HG3     3.90  #    28415.0
         QB     52 VAL  HN      5.60  #     3357.0
         QB     52 VAL  HA      7.00  #       54.0
         QB     53 GLU- HN      5.70  #     2475.5
         HG2    52 VAL  HN      3.30  #    13120.0
         HG2    52 VAL  HA      4.20 <#     2895.0
         HG2    53 GLU- HA      5.60 >#      489.0
         HG3    52 VAL  HN      3.30  #    11830.0
         HG3    52 VAL  HA      5.70 >#      426.0
         HG3    53 GLU- HA      4.60 <#     1661.0
 52 VAL  
         HN     52 VAL  HA      3.70  #    12520.0
         HN     52 VAL  HB      3.00  #    43260.0
         HN     52 VAL  QG1     4.20  #    10280.0
         HN     52 VAL  QG2     3.90  #    15330.0
         HN     53 GLU- HN      4.30  #     4864.0
         HN     54 GLU- HN      5.30  #     1260.0
         HA     52 VAL  HB      3.50  #    18220.0
         HA     52 VAL  QG1     3.30  #    46940.0
         HA     52 VAL  QG2     3.60  #    23790.0
         HA     53 GLU- HN      2.50  #   126600.0
         HA     53 GLU- HA      6.00  #      167.0
         HA     53 GLU- HB2     6.00  #      265.0
         HA     53 GLU- HG3     5.90  #      371.0
         HA     54 GLU- HG2     6.00  #      244.0
         HB     52 VAL  QG1     3.30  #    57590.0
         HB     52 VAL  QG2     3.30  #    45930.0
         HB     53 GLU- HN      4.60  #     3446.0
         QG1    53 GLU- HN      4.10 <#    17210.0
         QG1    53 GLU- HA      6.70  #      829.0
         QG1    54 GLU- HN      4.80 <#     5963.0
         QG2    53 GLU- HN      5.60 >#     2485.0
         QG2    54 GLU- HN      7.00 >#      261.0
 53 GLU- 
         HN     53 GLU- HA      3.50  #    18440.0
         HN     53 GLU- HB2     3.40 >#    19130.0
         HN     53 GLU- HB3     2.90 <#    55530.0
         HN     53 GLU- HG2     3.80  #     4933.0
         HN     53 GLU- HG3     3.60  #     6996.0
         HN     54 GLU- HN      4.00  #     8171.0
         HA     53 GLU- HB2     3.30 <#    26460.0
         HA     53 GLU- HB3     3.90 >#     8486.0
         HA     53 GLU- HG2     3.80  #     4888.0
         HA     53 GLU- HG3     4.40  #     2021.0
         HA     54 GLU- HN      2.70  #    80730.0
         HB2    53 GLU- HG2     3.20  #    14980.0
         HB2    53 GLU- HG3     3.20  #    14120.0
         HB2    54 GLU- HN      4.20  #     5851.0
         HB3    53 GLU- HG2     2.60  #    54500.0
         HB3    53 GLU- HG3     3.70  #     6428.0
         HB3    54 GLU- HN      4.50  #     3786.0
         HG2    54 GLU- HN      4.80  #     1271.0
         HG3    54 GLU- HN      4.70  #     1465.0
 54 GLU- 
         HN     54 GLU- HA      3.40  #    20150.0
         HN     54 GLU- QB      4.70  #     6315.0
         HN     54 GLU- HG2     3.50 <#     8644.0
         HN     54 GLU- HG3     4.10 >#     3260.0
         HA     54 GLU- QB      6.40  #     1297.5
         HA     54 GLU- HG2     3.90  #     4373.0
         HA     54 GLU- HG3     3.80  #     5311.0
         QB     54 GLU- HG2     5.20 >#     2694.5
         QB     54 GLU- HG3     3.70 <#    43575.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HN       MET   1  -5.539  -0.831   9.412
    2   2H    MET   1          2HN       MET   1  -6.438   0.580   9.287
    3   3H    MET   1          3HN       MET   1  -5.240   0.262   8.258
    4    HA   MET   1           HA       MET   1  -4.988   0.838  11.148
    5   1HB   MET   1          2HB       MET   1  -3.067   2.398  10.197
    6   2HB   MET   1          3HB       MET   1  -3.862   2.120   8.652
    7   1HG   MET   1          2HG       MET   1  -5.966   2.903   9.748
    8   2HG   MET   1          3HG       MET   1  -5.053   3.324  11.188
    9   1HE   MET   1          1HE       MET   1  -3.394   5.303  11.414
   10   2HE   MET   1          2HE       MET   1  -2.365   4.722  10.092
   11   3HE   MET   1          3HE       MET   1  -2.943   6.392  10.099
   12    H    LYS   2           HN       LYS   2  -2.330   0.992  11.390
   13    HA   LYS   2           HA       LYS   2  -0.331   0.010  11.497
   14   1HB   LYS   2          2HB       LYS   2  -1.652  -2.646  10.940
   15   2HB   LYS   2          3HB       LYS   2  -0.133  -2.319  11.795
   16   1HG   LYS   2          2HG       LYS   2  -1.545  -1.060  13.537
   17   2HG   LYS   2          3HG       LYS   2  -2.972  -1.771  12.711
   18   1HD   LYS   2          2HD       LYS   2  -1.462  -3.965  12.835
   19   2HD   LYS   2          3HD       LYS   2  -0.729  -3.134  14.207
   20   1HE   LYS   2          2HE       LYS   2  -3.717  -3.730  13.782
   21   2HE   LYS   2          3HE       LYS   2  -2.633  -4.772  14.703
   22   1HZ   LYS   2          3HNZ      LYS   2  -2.242  -2.961  16.225
   23   2HZ   LYS   2          1HNZ      LYS   2  -3.256  -1.973  15.380
   24   3HZ   LYS   2          2HNZ      LYS   2  -3.851  -3.308  16.144
   25    H    LYS   3           HN       LYS   3   1.279  -1.457  10.301
   26    HA   LYS   3           HA       LYS   3   1.279  -0.556   7.530
   27   1HB   LYS   3          2HB       LYS   3   3.245  -2.169   9.173
   28   2HB   LYS   3          3HB       LYS   3   3.536  -1.507   7.561
   29   1HG   LYS   3          2HG       LYS   3   3.124   0.789   8.419
   30   2HG   LYS   3          3HG       LYS   3   2.783   0.159  10.013
   31   1HD   LYS   3          2HD       LYS   3   4.974   0.752  10.326
   32   2HD   LYS   3          3HD       LYS   3   4.981  -0.993  10.032
   33   1HE   LYS   3          2HE       LYS   3   5.567  -0.260   7.546
   34   2HE   LYS   3          3HE       LYS   3   6.075   1.233   8.353
   35   1HZ   LYS   3          3HNZ      LYS   3   7.274  -0.383   9.931
   36   2HZ   LYS   3          1HNZ      LYS   3   7.090  -1.487   8.790
   37   3HZ   LYS   3          2HNZ      LYS   3   7.961  -0.126   8.433
   38    H    TYR   4           HN       TYR   4   2.026  -2.163   5.873
   39    HA   TYR   4           HA       TYR   4   0.757  -4.825   6.187
   40   1HB   TYR   4          2HB       TYR   4  -0.076  -2.656   4.259
   41   2HB   TYR   4          3HB       TYR   4  -0.299  -4.338   3.826
   42    HD1  TYR   4           HD1      TYR   4  -1.479  -1.673   6.116
   43    HD2  TYR   4           HD2      TYR   4  -1.965  -5.703   4.765
   44    HE1  TYR   4           HE1      TYR   4  -3.507  -1.892   7.511
   45    HE2  TYR   4           HE2      TYR   4  -3.827  -6.037   6.417
   46    HH   TYR   4           HOH      TYR   4  -4.537  -4.505   8.849
   47    H    THR   5           HN       THR   5   1.596  -6.416   4.768
   48    HA   THR   5           HA       THR   5   4.064  -5.848   3.356
   49    HB   THR   5           HB       THR   5   3.845  -8.136   2.539
   50    HG1  THR   5           HG1      THR   5   1.707  -8.330   2.072
   51   1HG2  THR   5          2HG2      THR   5   4.562  -7.733   4.917
   52   2HG2  THR   5          3HG2      THR   5   2.890  -8.033   5.436
   53   3HG2  THR   5          1HG2      THR   5   3.811  -9.316   4.643
   54    H    CYS   6           HN       CYN   6   4.339  -6.198   1.018
   55    HA   CYS   6           HA       CYN   6   2.308  -5.095  -0.786
   56   1HB   CYS   6          2HB       CYN   6   4.553  -4.729  -1.409
   57   2HB   CYS   6          3HB       CYN   6   5.031  -6.391  -1.055
   58    H    THR   7           HN       THR   7   3.849  -8.063  -1.559
   59    HA   THR   7           HA       THR   7   1.949  -9.982  -0.671
   60    HB   THR   7           HB       THR   7   0.522  -8.761  -2.363
   61    HG1  THR   7           HG1      THR   7   0.034 -10.803  -1.888
   62   1HG2  THR   7          3HG2      THR   7   2.305  -8.236  -4.049
   63   2HG2  THR   7          1HG2      THR   7   2.363  -9.968  -4.465
   64   3HG2  THR   7          2HG2      THR   7   0.879  -9.039  -4.712
   65    H    VAL   8           HN       VAL   8   4.344  -8.980  -3.161
   66    HA   VAL   8           HA       VAL   8   5.989 -11.268  -2.330
   67    HB   VAL   8           HB       VAL   8   4.527 -12.099  -4.166
   68   1HG1  VAL   8          1HG1      VAL   8   4.510  -9.991  -5.555
   69   2HG1  VAL   8          2HG1      VAL   8   6.195 -10.330  -6.005
   70   3HG1  VAL   8          3HG1      VAL   8   4.911 -11.464  -6.455
   71   1HG2  VAL   8          1HG2      VAL   8   6.691 -13.148  -3.613
   72   2HG2  VAL   8          2HG2      VAL   8   6.296 -13.284  -5.334
   73   3HG2  VAL   8          3HG2      VAL   8   7.505 -12.103  -4.796
   74    H    CYS   9           HN       CYN   9   5.921  -8.144  -4.209
   75    HA   CYS   9           HA       CYN   9   8.644  -8.424  -4.938
   76   1HB   CYS   9          2HB       CYN   9   8.560  -6.242  -5.739
   77   2HB   CYS   9          3HB       CYN   9   6.961  -6.940  -6.019
   78    H    GLY  10           HN       GLY  10   7.146  -6.777  -2.221
   79   1HA   GLY  10          2HA       GLY  10   8.130  -7.070   0.005
   80   2HA   GLY  10          3HA       GLY  10   9.741  -6.909  -0.701
   81    H    TYR  11           HN       TYR  11   6.737  -4.962  -1.167
   82    HA   TYR  11           HA       TYR  11   8.178  -2.562  -0.133
   83   1HB   TYR  11          2HB       TYR  11   7.113  -2.974  -2.639
   84   2HB   TYR  11          3HB       TYR  11   5.793  -2.142  -1.857
   85    HD1  TYR  11           HD1      TYR  11   6.563   0.027  -0.431
   86    HD2  TYR  11           HD2      TYR  11   8.845  -1.791  -3.610
   87    HE1  TYR  11           HE1      TYR  11   7.840   2.126  -0.717
   88    HE2  TYR  11           HE2      TYR  11  10.156   0.287  -3.854
   89    HH   TYR  11           HOH      TYR  11   9.428   3.238  -1.969
   90    H    ILE  12           HN       ILE  12   7.636  -2.891   2.062
   91    HA   ILE  12           HA       ILE  12   4.941  -3.402   2.879
   92    HB   ILE  12           HB       ILE  12   7.449  -2.537   4.289
   93   1HG1  ILE  12          2HG1      ILE  12   5.409  -4.736   4.840
   94   2HG1  ILE  12          3HG1      ILE  12   6.737  -4.930   3.690
   95   1HG2  ILE  12          2HG2      ILE  12   4.674  -2.430   5.561
   96   2HG2  ILE  12          3HG2      ILE  12   6.197  -2.402   6.460
   97   3HG2  ILE  12          1HG2      ILE  12   5.805  -1.074   5.386
   98   1HD1  ILE  12          1HD1      ILE  12   8.379  -4.567   5.499
   99   2HD1  ILE  12          2HD1      ILE  12   7.053  -4.441   6.681
  100   3HD1  ILE  12          3HD1      ILE  12   7.313  -5.953   5.805
  101    H    TYR  13           HN       TYR  13   3.254  -2.118   3.030
  102    HA   TYR  13           HA       TYR  13   3.421   0.747   2.310
  103   1HB   TYR  13          2HB       TYR  13   1.644  -0.639   1.356
  104   2HB   TYR  13          3HB       TYR  13   1.150  -1.147   2.975
  105    HD1  TYR  13           HD1      TYR  13  -0.091   0.365   4.467
  106    HD2  TYR  13           HD2      TYR  13   0.766   1.396   0.419
  107    HE1  TYR  13           HE1      TYR  13  -1.611   2.312   4.608
  108    HE2  TYR  13           HE2      TYR  13  -0.237   3.670   0.774
  109    HH   TYR  13           HOH      TYR  13  -2.299   4.354   3.646
  110    H    ASN  14           HN       ASN  14   3.155   2.381   3.829
  111    HA   ASN  14           HA       ASN  14   2.531   1.626   6.631
  112   1HB   ASN  14          2HB       ASN  14   4.946   2.202   6.354
  113   2HB   ASN  14          3HB       ASN  14   4.473   3.780   5.737
  114   1HD2  ASN  14          2HND      ASN  14   5.184   4.184   9.354
  115   2HD2  ASN  14          1HND      ASN  14   5.877   4.347   7.747
  116    HA   PRO  15           HA       PRO  15  -0.700   4.382   5.418
  117   1HB   PRO  15          2HB       PRO  15  -2.246   4.307   7.745
  118   2HB   PRO  15          3HB       PRO  15  -2.316   3.074   6.486
  119   1HG   PRO  15          2HG       PRO  15  -0.882   2.970   9.108
  120   2HG   PRO  15          3HG       PRO  15  -1.654   1.664   8.164
  121   1HD   PRO  15          2HD       PRO  15   1.053   2.156   8.328
  122   2HD   PRO  15          3HD       PRO  15   0.353   1.234   7.007
  123    H    GLU  16           HN       GLU  16   0.986   4.738   8.549
  124    HA   GLU  16           HA       GLU  16   0.050   7.386   9.028
  125   1HB   GLU  16          2HB       GLU  16   2.568   5.923   9.897
  126   2HB   GLU  16          3HB       GLU  16   2.023   7.487  10.487
  127   1HG   GLU  16          2HG       GLU  16  -0.263   6.236  10.979
  128   2HG   GLU  16          3HG       GLU  16   0.702   4.758  10.835
  129    H    ASP  17           HN       ASP  17   2.470   6.063   6.911
  130    HA   ASP  17           HA       ASP  17   3.661   8.726   6.262
  131   1HB   ASP  17          2HB       ASP  17   4.194   5.912   5.272
  132   2HB   ASP  17          3HB       ASP  17   5.048   7.345   4.707
  133    H    GLY  18           HN       GLY  18   1.426   6.252   5.050
  134   1HA   GLY  18          2HA       GLY  18   0.127   6.101   3.263
  135   2HA   GLY  18          3HA       GLY  18   0.317   7.835   2.936
  136    H    ASP  19           HN       ASP  19   0.487   7.299   0.713
  137    HA   ASP  19           HA       ASP  19   3.254   6.921  -0.151
  138   1HB   ASP  19          2HB       ASP  19   1.090   4.951  -0.730
  139   2HB   ASP  19          3HB       ASP  19   1.887   5.531  -2.174
  140    HA   PRO  20           HA       PRO  20   0.417  10.360  -1.578
  141   1HB   PRO  20          2HB       PRO  20   2.083  12.506  -1.049
  142   2HB   PRO  20          3HB       PRO  20   0.911  11.807   0.111
  143   1HG   PRO  20          2HG       PRO  20   3.879  11.265  -0.110
  144   2HG   PRO  20          3HG       PRO  20   2.922  11.560   1.373
  145   1HD   PRO  20          2HD       PRO  20   3.597   9.052   0.619
  146   2HD   PRO  20          3HD       PRO  20   1.981   9.383   1.297
  147    H    ASP  21           HN       ASP  21   3.870   9.733  -2.199
  148    HA   ASP  21           HA       ASP  21   4.231  11.313  -4.484
  149   1HB   ASP  21          2HB       ASP  21   5.433   8.671  -3.503
  150   2HB   ASP  21          3HB       ASP  21   6.019   9.553  -4.907
  151    H    ASN  22           HN       ASN  22   2.567   8.310  -3.913
  152    HA   ASN  22           HA       ASN  22   2.316   7.638  -6.791
  153   1HB   ASN  22          2HB       ASN  22   1.593   6.028  -4.324
  154   2HB   ASN  22          3HB       ASN  22   1.708   5.425  -5.972
  155   1HD2  ASN  22          2HND      ASN  22   5.038   5.786  -3.614
  156   2HD2  ASN  22          1HND      ASN  22   3.506   6.377  -3.075
  157    H    GLY  23           HN       GLY  23   0.569   8.743  -4.035
  158   1HA   GLY  23          2HA       GLY  23  -1.268  10.224  -4.862
  159   2HA   GLY  23          3HA       GLY  23  -1.993   8.797  -5.609
  160    H    VAL  24           HN       VAL  24  -0.547   8.105  -2.527
  161    HA   VAL  24           HA       VAL  24  -3.273   7.969  -1.280
  162    HB   VAL  24           HB       VAL  24  -0.772   6.302  -1.028
  163   1HG1  VAL  24          1HG1      VAL  24  -3.365   6.193   0.529
  164   2HG1  VAL  24          2HG1      VAL  24  -2.208   4.852   0.442
  165   3HG1  VAL  24          3HG1      VAL  24  -1.714   6.387   1.178
  166   1HG2  VAL  24          1HG2      VAL  24  -2.210   5.879  -3.037
  167   2HG2  VAL  24          2HG2      VAL  24  -2.186   4.505  -1.916
  168   3HG2  VAL  24          3HG2      VAL  24  -3.591   5.593  -1.964
  169    H    ASN  25           HN       ASN  25  -3.536   9.596   0.141
  170    HA   ASN  25           HA       ASN  25  -1.359  11.172   1.124
  171   1HB   ASN  25          2HB       ASN  25  -4.331  10.982   1.732
  172   2HB   ASN  25          3HB       ASN  25  -3.289  11.948   2.763
  173   1HD2  ASN  25          2HND      ASN  25  -3.793  13.191  -1.139
  174   2HD2  ASN  25          1HND      ASN  25  -4.038  11.502  -0.767
  175    HA   PRO  26           HA       PRO  26  -0.249   8.944   4.841
  176   1HB   PRO  26          2HB       PRO  26   0.090  11.008   6.682
  177   2HB   PRO  26          3HB       PRO  26   1.303  10.426   5.524
  178   1HG   PRO  26          2HG       PRO  26  -0.494  12.825   5.307
  179   2HG   PRO  26          3HG       PRO  26   1.212  12.628   4.780
  180   1HD   PRO  26          2HD       PRO  26  -0.949  12.528   3.058
  181   2HD   PRO  26          3HD       PRO  26   0.558  11.610   2.771
  182    H    GLY  27           HN       GLY  27  -1.189   8.187   6.643
  183   1HA   GLY  27          2HA       GLY  27  -2.811   7.731   8.184
  184   2HA   GLY  27          3HA       GLY  27  -3.609   9.279   7.851
  185    H    THR  28           HN       THR  28  -2.949   7.160   4.991
  186    HA   THR  28           HA       THR  28  -5.871   6.748   4.864
  187    HB   THR  28           HB       THR  28  -3.612   6.258   2.885
  188    HG1  THR  28           HG1      THR  28  -3.991   8.428   3.053
  189   1HG2  THR  28          1HG2      THR  28  -6.633   6.033   2.681
  190   2HG2  THR  28          2HG2      THR  28  -5.541   6.022   1.278
  191   3HG2  THR  28          3HG2      THR  28  -5.427   4.736   2.497
  192    H    ASP  29           HN       ASP  29  -6.579   5.006   5.779
  193    HA   ASP  29           HA       ASP  29  -5.060   2.734   6.589
  194   1HB   ASP  29          2HB       ASP  29  -7.430   3.463   7.287
  195   2HB   ASP  29          3HB       ASP  29  -7.984   2.727   5.801
  196    H    PHE  30           HN       PHE  30  -4.571   0.926   5.510
  197    HA   PHE  30           HA       PHE  30  -4.284   0.704   2.732
  198   1HB   PHE  30          2HB       PHE  30  -3.411  -0.716   4.751
  199   2HB   PHE  30          3HB       PHE  30  -4.860  -1.689   4.514
  200    HD1  PHE  30           HD2      PHE  30  -5.244  -2.553   2.001
  201    HD2  PHE  30           HD1      PHE  30  -1.500  -1.115   3.547
  202    HE1  PHE  30           HE2      PHE  30  -4.092  -3.336  -0.024
  203    HE2  PHE  30           HE1      PHE  30  -0.321  -2.125   1.590
  204    HZ   PHE  30           HZ       PHE  30  -1.622  -3.124  -0.210
  205    H    LYS  31           HN       LYS  31  -7.171   0.043   4.808
  206    HA   LYS  31           HA       LYS  31  -8.427  -1.479   2.648
  207   1HB   LYS  31          2HB       LYS  31 -10.391  -1.544   3.920
  208   2HB   LYS  31          3HB       LYS  31  -8.995  -1.849   4.976
  209   1HG   LYS  31          2HG       LYS  31  -9.046   0.641   5.534
  210   2HG   LYS  31          3HG       LYS  31 -10.560   0.731   4.649
  211   1HD   LYS  31          2HD       LYS  31 -11.510  -1.000   6.159
  212   2HD   LYS  31          3HD       LYS  31  -9.957  -1.036   7.041
  213   1HE   LYS  31          2HE       LYS  31 -10.190   1.433   7.506
  214   2HE   LYS  31          3HE       LYS  31 -11.752   1.438   6.683
  215   1HZ   LYS  31          2HNZ      LYS  31 -11.092  -0.071   9.122
  216   2HZ   LYS  31          3HNZ      LYS  31 -11.978   1.314   9.045
  217   3HZ   LYS  31          1HNZ      LYS  31 -12.564  -0.070   8.369
  218    H    ASP  32           HN       ASP  32  -8.434   1.892   3.739
  219    HA   ASP  32           HA       ASP  32 -10.498   2.824   1.980
  220   1HB   ASP  32          2HB       ASP  32  -8.408   4.219   3.710
  221   2HB   ASP  32          3HB       ASP  32  -9.614   5.064   2.742
  222    H    ILE  33           HN       ILE  33  -7.036   2.151   1.490
  223    HA   ILE  33           HA       ILE  33  -6.377   3.969  -0.444
  224    HB   ILE  33           HB       ILE  33  -5.792   1.036  -0.268
  225   1HG1  ILE  33          2HG1      ILE  33  -4.433   3.562   0.684
  226   2HG1  ILE  33          3HG1      ILE  33  -5.049   2.321   1.701
  227   1HG2  ILE  33          2HG2      ILE  33  -5.294   1.944  -2.507
  228   2HG2  ILE  33          3HG2      ILE  33  -4.170   3.074  -1.701
  229   3HG2  ILE  33          1HG2      ILE  33  -3.939   1.304  -1.578
  230   1HD1  ILE  33          2HD1      ILE  33  -3.347   0.719   0.560
  231   2HD1  ILE  33          3HD1      ILE  33  -2.567   2.220  -0.020
  232   3HD1  ILE  33          1HD1      ILE  33  -2.753   1.912   1.712
  233    HA   PRO  34           HA       PRO  34  -9.497   2.918  -3.525
  234   1HB   PRO  34          2HB       PRO  34  -8.070   3.969  -5.746
  235   2HB   PRO  34          3HB       PRO  34  -9.297   4.810  -4.781
  236   1HG   PRO  34          2HG       PRO  34  -6.418   5.260  -4.867
  237   2HG   PRO  34          3HG       PRO  34  -7.644   6.166  -3.940
  238   1HD   PRO  34          2HD       PRO  34  -5.759   4.147  -2.972
  239   2HD   PRO  34          3HD       PRO  34  -6.816   5.202  -2.034
  240    H    ASP  35           HN       ASP  35  -9.806   1.139  -4.948
  241    HA   ASP  35           HA       ASP  35  -7.684  -0.776  -5.167
  242   1HB   ASP  35          2HB       ASP  35 -10.604  -0.568  -5.730
  243   2HB   ASP  35          3HB       ASP  35  -9.701  -1.557  -6.849
  244    H    ASP  36           HN       ASP  36  -8.323   2.036  -7.056
  245    HA   ASP  36           HA       ASP  36  -7.069   0.981  -9.440
  246   1HB   ASP  36          2HB       ASP  36  -7.177   3.212 -10.237
  247   2HB   ASP  36          3HB       ASP  36  -8.731   2.832  -9.497
  248    H    TRP  37           HN       TRP  37  -5.924   1.917  -6.318
  249    HA   TRP  37           HA       TRP  37  -3.392   3.001  -7.265
  250   1HB   TRP  37          2HB       TRP  37  -4.356   3.712  -5.107
  251   2HB   TRP  37          3HB       TRP  37  -4.293   2.048  -4.553
  252    HD1  TRP  37           HD       TRP  37  -1.824   4.891  -5.387
  253    HE1  TRP  37           HNE      TRP  37   0.346   4.447  -4.099
  254    HE3  TRP  37           HE       TRP  37  -2.903   0.271  -3.650
  255    HZ2  TRP  37           HZ1      TRP  37   1.483   2.315  -2.476
  256    HZ3  TRP  37           HZ2      TRP  37  -1.254  -1.004  -2.239
  257    HH2  TRP  37           HH       TRP  37   0.942   0.017  -1.681
  258    H    VAL  38           HN       VAL  38  -1.390   1.960  -7.076
  259    HA   VAL  38           HA       VAL  38  -1.358  -1.002  -6.935
  260    HB   VAL  38           HB       VAL  38  -0.151   0.719  -9.157
  261   1HG1  VAL  38          1HG1      VAL  38  -0.064  -2.287  -8.693
  262   2HG1  VAL  38          2HG1      VAL  38   0.342  -1.511 -10.234
  263   3HG1  VAL  38          3HG1      VAL  38   1.311  -1.164  -8.809
  264   1HG2  VAL  38          2HG2      VAL  38  -2.511  -1.213  -9.202
  265   2HG2  VAL  38          3HG2      VAL  38  -2.546   0.531  -9.525
  266   3HG2  VAL  38          1HG2      VAL  38  -1.728  -0.548 -10.648
  267    H    CYS  39           HN       CYN  39   0.842  -1.781  -6.611
  268    HA   CYS  39           HA       CYN  39   2.342  -0.665  -4.592
  269   1HB   CYS  39          2HB       CYN  39   2.510  -2.874  -6.400
  270   2HB   CYS  39          3HB       CYN  39   4.021  -1.992  -6.557
  271    HA   PRO  40           HA       PRO  40   4.180   2.878  -6.453
  272   1HB   PRO  40          2HB       PRO  40   6.557   3.187  -5.086
  273   2HB   PRO  40          3HB       PRO  40   4.952   3.468  -4.359
  274   1HG   PRO  40          2HG       PRO  40   6.611   0.967  -4.134
  275   2HG   PRO  40          3HG       PRO  40   5.783   1.887  -2.836
  276   1HD   PRO  40          2HD       PRO  40   4.654  -0.307  -3.945
  277   2HD   PRO  40          3HD       PRO  40   3.655   1.110  -3.513
  278    H    LEU  41           HN       LEU  41   6.375   0.062  -6.159
  279    HA   LEU  41           HA       LEU  41   7.427   0.589  -8.905
  280   1HB   LEU  41          2HB       LEU  41   9.070  -0.008  -6.412
  281   2HB   LEU  41          3HB       LEU  41   9.712   0.029  -8.058
  282    HG   LEU  41           HG       LEU  41   8.468   2.441  -6.668
  283   1HD1  LEU  41          2HD1      LEU  41  11.383   1.655  -7.040
  284   2HD1  LEU  41          3HD1      LEU  41  10.812   3.241  -6.478
  285   3HD1  LEU  41          1HD1      LEU  41  10.499   1.799  -5.507
  286   1HD2  LEU  41          3HD2      LEU  41  10.128   2.187  -9.228
  287   2HD2  LEU  41          1HD2      LEU  41   8.399   2.587  -9.164
  288   3HD2  LEU  41          2HD2      LEU  41   9.583   3.708  -8.492
  289    H    CYS  42           HN       CYN  42   5.354  -1.176  -8.387
  290    HA   CYS  42           HA       CYN  42   6.507  -3.633  -9.321
  291   1HB   CYS  42          2HB       CYN  42   6.861  -4.461  -7.280
  292   2HB   CYS  42          3HB       CYN  42   5.801  -3.327  -6.471
  293    H    GLY  43           HN       GLY  43   4.744  -5.003 -10.117
  294   1HA   GLY  43          2HA       GLY  43   2.414  -3.304 -10.992
  295   2HA   GLY  43          3HA       GLY  43   3.378  -4.325 -12.063
  296    H    VAL  44           HN       VAL  44   1.141  -4.339  -9.326
  297    HA   VAL  44           HA       VAL  44   0.121  -6.973 -10.181
  298    HB   VAL  44           HB       VAL  44   1.912  -7.479  -8.610
  299   1HG1  VAL  44          3HG1      VAL  44   1.725  -5.384  -7.177
  300   2HG1  VAL  44          1HG1      VAL  44   0.336  -6.153  -6.382
  301   3HG1  VAL  44          2HG1      VAL  44   1.926  -6.912  -6.311
  302   1HG2  VAL  44          3HG2      VAL  44  -0.050  -8.957  -8.789
  303   2HG2  VAL  44          1HG2      VAL  44   0.665  -8.988  -7.169
  304   3HG2  VAL  44          2HG2      VAL  44  -0.837  -8.085  -7.454
  305    H    GLY  45           HN       GLY  45  -0.259  -4.442  -7.668
  306   1HA   GLY  45          2HA       GLY  45  -2.270  -3.010  -7.724
  307   2HA   GLY  45          3HA       GLY  45  -3.226  -4.429  -8.165
  308    H    LYS  46           HN       LYS  46  -3.660  -2.787  -5.780
  309    HA   LYS  46           HA       LYS  46  -2.507  -4.100  -3.495
  310   1HB   LYS  46          2HB       LYS  46  -3.992  -2.914  -2.168
  311   2HB   LYS  46          3HB       LYS  46  -3.429  -1.851  -3.444
  312   1HG   LYS  46          2HG       LYS  46  -5.593  -2.103  -4.630
  313   2HG   LYS  46          3HG       LYS  46  -6.193  -3.148  -3.331
  314   1HD   LYS  46          2HD       LYS  46  -5.436  -0.265  -2.978
  315   2HD   LYS  46          3HD       LYS  46  -7.057  -0.938  -3.137
  316   1HE   LYS  46          2HE       LYS  46  -6.056  -2.521  -1.099
  317   2HE   LYS  46          3HE       LYS  46  -5.263  -0.992  -0.785
  318   1HZ   LYS  46          2HNZ      LYS  46  -7.626  -0.028  -1.029
  319   2HZ   LYS  46          3HNZ      LYS  46  -8.163  -1.558  -0.920
  320   3HZ   LYS  46          1HNZ      LYS  46  -7.283  -0.871   0.330
  321    H    ASP  47           HN       ASP  47  -2.722  -6.334  -3.245
  322    HA   ASP  47           HA       ASP  47  -5.315  -7.326  -2.585
  323   1HB   ASP  47          2HB       ASP  47  -5.423  -7.714  -5.032
  324   2HB   ASP  47          3HB       ASP  47  -3.851  -8.533  -4.978
  325    H    GLN  48           HN       GLN  48  -5.020  -9.457  -1.737
  326    HA   GLN  48           HA       GLN  48  -4.100 -10.657   0.045
  327   1HB   GLN  48          2HB       GLN  48  -3.753 -11.699  -2.214
  328   2HB   GLN  48          3HB       GLN  48  -2.097 -11.111  -2.199
  329   1HG   GLN  48          2HG       GLN  48  -1.443 -12.893  -0.979
  330   2HG   GLN  48          3HG       GLN  48  -2.589 -12.510   0.307
  331   1HE2  GLN  48          2HNE      GLN  48  -5.179 -14.690  -1.049
  332   2HE2  GLN  48          1HNE      GLN  48  -5.009 -13.097  -0.333
  333    H    PHE  49           HN       PHE  49  -3.554  -8.312   0.871
  334    HA   PHE  49           HA       PHE  49  -0.670  -7.933   1.453
  335   1HB   PHE  49          2HB       PHE  49  -1.618  -5.723   2.380
  336   2HB   PHE  49          3HB       PHE  49  -1.537  -5.936   0.652
  337    HD1  PHE  49           HD2      PHE  49  -3.895  -5.732   3.532
  338    HD2  PHE  49           HD1      PHE  49  -3.511  -6.120  -0.732
  339    HE1  PHE  49           HE2      PHE  49  -6.278  -5.177   3.282
  340    HE2  PHE  49           HE1      PHE  49  -5.948  -5.666  -0.986
  341    HZ   PHE  49           HZ       PHE  49  -7.327  -5.164   1.021
  342    H    GLU  50           HN       GLU  50   0.081  -8.741   3.363
  343    HA   GLU  50           HA       GLU  50  -1.804  -9.557   5.495
  344   1HB   GLU  50          2HB       GLU  50   1.164  -9.948   4.932
  345   2HB   GLU  50          3HB       GLU  50   0.467 -10.279   6.503
  346   1HG   GLU  50          2HG       GLU  50  -1.130 -11.893   5.467
  347   2HG   GLU  50          3HG       GLU  50  -0.502 -11.491   3.859
  348    H    GLU  51           HN       GLU  51  -1.614  -8.660   7.664
  349    HA   GLU  51           HA       GLU  51  -0.870  -5.840   7.683
  350   1HB   GLU  51          2HB       GLU  51  -2.969  -6.520   8.653
  351   2HB   GLU  51          3HB       GLU  51  -2.204  -7.783   9.623
  352   1HG   GLU  51          2HG       GLU  51  -1.134  -6.317  11.006
  353   2HG   GLU  51          3HG       GLU  51  -1.410  -4.882  10.010
  354    H    VAL  52           HN       VAL  52   0.872  -4.988   8.793
  355    HA   VAL  52           HA       VAL  52   2.911  -6.871   9.771
  356    HB   VAL  52           HB       VAL  52   2.917  -4.122   8.475
  357   1HG1  VAL  52          1HG1      VAL  52   5.198  -5.487   9.954
  358   2HG1  VAL  52          2HG1      VAL  52   5.383  -4.096   8.851
  359   3HG1  VAL  52          3HG1      VAL  52   4.451  -3.921  10.340
  360   1HG2  VAL  52          3HG2      VAL  52   2.917  -6.084   7.012
  361   2HG2  VAL  52          1HG2      VAL  52   4.385  -5.095   6.906
  362   3HG2  VAL  52          2HG2      VAL  52   4.420  -6.647   7.783
  363    H    GLU  53           HN       GLU  53   2.501  -7.194  11.839
  364    HA   GLU  53           HA       GLU  53   1.432  -5.339  13.655
  365   1HB   GLU  53          2HB       GLU  53   1.904  -7.119  15.262
  366   2HB   GLU  53          3HB       GLU  53   1.046  -7.684  13.827
  367   1HG   GLU  53          2HG       GLU  53   3.308  -8.559  12.959
  368   2HG   GLU  53          3HG       GLU  53   3.979  -8.119  14.515
  369    H    GLU  54           HN       GLU  54   3.030  -3.698  13.036
  370    HA   GLU  54           HA       GLU  54   5.447  -3.325  14.672
  371   1HB   GLU  54          2HB       GLU  54   3.304  -1.333  13.919
  372   2HB   GLU  54          3HB       GLU  54   4.847  -0.932  14.665
  373   1HG   GLU  54          2HG       GLU  54   4.729  -2.334  11.967
  374   2HG   GLU  54          3HG       GLU  54   4.504  -0.587  12.166
   
  No H/Q in entry =         374
  Start of MODEL    2
    1   1H    MET   1          1HN       MET   1  -0.838   4.161  12.312
    2   2H    MET   1          2HN       MET   1  -1.008   4.211  10.733
    3   3H    MET   1          3HN       MET   1  -2.148   4.934  11.688
    4    HA   MET   1           HA       MET   1  -2.809   2.737  12.499
    5   1HB   MET   1          2HB       MET   1  -3.668   3.881  10.201
    6   2HB   MET   1          3HB       MET   1  -2.876   2.516   9.493
    7   1HG   MET   1          2HG       MET   1  -4.724   1.868  11.649
    8   2HG   MET   1          3HG       MET   1  -5.421   2.411  10.121
    9   1HE   MET   1          2HE       MET   1  -6.711  -0.017  10.418
   10   2HE   MET   1          3HE       MET   1  -5.839  -1.565  10.283
   11   3HE   MET   1          1HE       MET   1  -5.646  -0.561  11.735
   12    H    LYS   2           HN       LYS   2  -2.691   0.289  11.768
   13    HA   LYS   2           HA       LYS   2  -0.010  -0.594  11.945
   14   1HB   LYS   2          2HB       LYS   2  -2.495  -2.032  10.900
   15   2HB   LYS   2          3HB       LYS   2  -0.918  -2.753  11.230
   16   1HG   LYS   2          2HG       LYS   2  -1.528  -1.378  13.624
   17   2HG   LYS   2          3HG       LYS   2  -3.086  -2.056  13.073
   18   1HD   LYS   2          2HD       LYS   2  -1.662  -4.239  12.609
   19   2HD   LYS   2          3HD       LYS   2  -0.406  -3.446  13.535
   20   1HE   LYS   2          2HE       LYS   2  -3.254  -3.971  14.480
   21   2HE   LYS   2          3HE       LYS   2  -1.935  -5.127  14.686
   22   1HZ   LYS   2          3HNZ      LYS   2  -0.675  -3.307  15.821
   23   2HZ   LYS   2          1HNZ      LYS   2  -2.039  -2.414  15.841
   24   3HZ   LYS   2          2HNZ      LYS   2  -1.996  -3.841  16.673
   25    H    LYS   3           HN       LYS   3   1.320  -1.492  10.479
   26    HA   LYS   3           HA       LYS   3   1.282  -0.516   7.739
   27   1HB   LYS   3          2HB       LYS   3   3.190  -2.201   9.366
   28   2HB   LYS   3          3HB       LYS   3   3.544  -1.508   7.766
   29   1HG   LYS   3          2HG       LYS   3   3.207   0.751   8.560
   30   2HG   LYS   3          3HG       LYS   3   2.680   0.232  10.141
   31   1HD   LYS   3          2HD       LYS   3   4.772   0.844  10.659
   32   2HD   LYS   3          3HD       LYS   3   4.820  -0.916  10.528
   33   1HE   LYS   3          2HE       LYS   3   5.886  -0.721   8.294
   34   2HE   LYS   3          3HE       LYS   3   5.811   1.048   8.400
   35   1HZ   LYS   3          2HNZ      LYS   3   7.196  -0.657  10.364
   36   2HZ   LYS   3          3HNZ      LYS   3   7.964   0.066   9.078
   37   3HZ   LYS   3          1HNZ      LYS   3   7.261   0.966  10.272
   38    H    TYR   4           HN       TYR   4   2.054  -2.246   6.076
   39    HA   TYR   4           HA       TYR   4   0.594  -4.788   6.415
   40   1HB   TYR   4          2HB       TYR   4  -0.137  -2.683   4.358
   41   2HB   TYR   4          3HB       TYR   4  -0.443  -4.371   4.089
   42    HD1  TYR   4           HD1      TYR   4  -1.259  -1.653   6.626
   43    HD2  TYR   4           HD2      TYR   4  -2.405  -5.307   4.684
   44    HE1  TYR   4           HE1      TYR   4  -3.386  -1.594   7.819
   45    HE2  TYR   4           HE2      TYR   4  -4.481  -5.380   6.094
   46    HH   TYR   4           HOH      TYR   4  -5.435  -2.618   8.136
   47    H    THR   5           HN       THR   5   1.321  -6.441   4.965
   48    HA   THR   5           HA       THR   5   3.911  -5.929   3.682
   49    HB   THR   5           HB       THR   5   2.168  -8.423   3.727
   50    HG1  THR   5           HG1      THR   5   2.842  -7.750   5.798
   51   1HG2  THR   5          1HG2      THR   5   5.117  -8.004   3.048
   52   2HG2  THR   5          2HG2      THR   5   4.330  -9.578   3.287
   53   3HG2  THR   5          3HG2      THR   5   3.837  -8.551   1.934
   54    H    CYS   6           HN       CYN   6   4.242  -5.766   1.517
   55    HA   CYS   6           HA       CYN   6   2.037  -5.417  -0.402
   56   1HB   CYS   6          2HB       CYN   6   3.973  -3.984  -0.517
   57   2HB   CYS   6          3HB       CYN   6   5.078  -5.361  -0.546
   58    H    THR   7           HN       THR   7   4.638  -7.177  -1.725
   59    HA   THR   7           HA       THR   7   4.049  -9.789  -0.721
   60    HB   THR   7           HB       THR   7   2.093  -9.560  -2.216
   61    HG1  THR   7           HG1      THR   7   2.748 -11.585  -2.168
   62   1HG2  THR   7          1HG2      THR   7   3.027  -7.933  -3.852
   63   2HG2  THR   7          2HG2      THR   7   4.062  -9.223  -4.510
   64   3HG2  THR   7          3HG2      THR   7   2.301  -9.353  -4.616
   65    H    VAL   8           HN       VAL   8   5.136 -11.044  -3.105
   66    HA   VAL   8           HA       VAL   8   7.959 -10.499  -2.541
   67    HB   VAL   8           HB       VAL   8   8.370 -12.401  -4.098
   68   1HG1  VAL   8          2HG1      VAL   8   8.136 -12.710  -1.671
   69   2HG1  VAL   8          3HG1      VAL   8   6.381 -12.916  -1.848
   70   3HG1  VAL   8          1HG1      VAL   8   7.495 -14.100  -2.563
   71   1HG2  VAL   8          1HG2      VAL   8   6.281 -12.167  -5.516
   72   2HG2  VAL   8          2HG2      VAL   8   6.558 -13.793  -4.879
   73   3HG2  VAL   8          3HG2      VAL   8   5.333 -12.756  -4.138
   74    H    CYS   9           HN       CYN   9   7.272  -8.184  -3.397
   75    HA   CYS   9           HA       CYN   9   8.837  -7.842  -5.831
   76   1HB   CYS   9          2HB       CYN   9   7.136  -6.429  -6.918
   77   2HB   CYS   9          3HB       CYN   9   6.716  -8.141  -6.862
   78    H    GLY  10           HN       GLY  10   6.635  -6.126  -3.585
   79   1HA   GLY  10          2HA       GLY  10   8.388  -3.761  -3.639
   80   2HA   GLY  10          3HA       GLY  10   6.734  -3.901  -3.038
   81    H    TYR  11           HN       TYR  11   7.133  -2.801  -1.186
   82    HA   TYR  11           HA       TYR  11   8.606  -4.199   0.966
   83   1HB   TYR  11          2HB       TYR  11  10.105  -2.421   0.273
   84   2HB   TYR  11          3HB       TYR  11   8.777  -1.269   0.166
   85    HD1  TYR  11           HD2      TYR  11  10.452  -3.512   2.697
   86    HD2  TYR  11           HD1      TYR  11   8.346   0.180   1.972
   87    HE1  TYR  11           HE2      TYR  11  10.451  -3.031   5.122
   88    HE2  TYR  11           HE1      TYR  11   8.391   0.681   4.387
   89    HH   TYR  11           HOH      TYR  11   9.733  -1.626   6.771
   90    H    ILE  12           HN       ILE  12   7.754  -3.539   3.061
   91    HA   ILE  12           HA       ILE  12   5.012  -3.715   3.320
   92    HB   ILE  12           HB       ILE  12   7.286  -2.844   5.087
   93   1HG1  ILE  12          2HG1      ILE  12   5.196  -5.031   5.383
   94   2HG1  ILE  12          3HG1      ILE  12   6.666  -5.238   4.431
   95   1HG2  ILE  12          2HG2      ILE  12   4.381  -2.657   5.939
   96   2HG2  ILE  12          3HG2      ILE  12   5.760  -2.664   7.047
   97   3HG2  ILE  12          1HG2      ILE  12   5.569  -1.332   5.922
   98   1HD1  ILE  12          3HD1      ILE  12   8.066  -4.833   6.410
   99   2HD1  ILE  12          1HD1      ILE  12   6.611  -4.670   7.422
  100   3HD1  ILE  12          2HD1      ILE  12   6.965  -6.208   6.628
  101    H    TYR  13           HN       TYR  13   3.347  -2.399   3.150
  102    HA   TYR  13           HA       TYR  13   3.617   0.417   2.378
  103   1HB   TYR  13          2HB       TYR  13   1.826  -0.926   1.447
  104   2HB   TYR  13          3HB       TYR  13   1.282  -1.397   3.062
  105    HD1  TYR  13           HD2      TYR  13   0.118   0.233   4.547
  106    HD2  TYR  13           HD1      TYR  13   0.944   1.058   0.427
  107    HE1  TYR  13           HE2      TYR  13  -1.366   2.204   4.621
  108    HE2  TYR  13           HE1      TYR  13  -0.105   3.313   0.665
  109    HH   TYR  13           HOH      TYR  13  -2.066   4.178   3.549
  110    H    ASN  14           HN       ASN  14   3.421   2.126   3.784
  111    HA   ASN  14           HA       ASN  14   2.785   1.564   6.635
  112   1HB   ASN  14          2HB       ASN  14   5.181   2.098   6.279
  113   2HB   ASN  14          3HB       ASN  14   4.721   3.640   5.560
  114   1HD2  ASN  14          2HND      ASN  14   5.481   4.343   9.110
  115   2HD2  ASN  14          1HND      ASN  14   6.161   4.310   7.490
  116    HA   PRO  15           HA       PRO  15  -0.457   4.302   5.229
  117   1HB   PRO  15          2HB       PRO  15  -1.919   4.433   7.644
  118   2HB   PRO  15          3HB       PRO  15  -2.138   3.117   6.499
  119   1HG   PRO  15          2HG       PRO  15  -0.613   3.095   8.999
  120   2HG   PRO  15          3HG       PRO  15  -1.412   1.761   8.092
  121   1HD   PRO  15          2HD       PRO  15   1.299   2.241   8.259
  122   2HD   PRO  15          3HD       PRO  15   0.546   1.235   7.027
  123    H    GLU  16           HN       GLU  16   1.318   4.759   8.245
  124    HA   GLU  16           HA       GLU  16   0.436   7.443   8.655
  125   1HB   GLU  16          2HB       GLU  16   2.919   5.971   9.604
  126   2HB   GLU  16          3HB       GLU  16   2.290   7.500  10.204
  127   1HG   GLU  16          2HG       GLU  16   0.023   6.198  10.517
  128   2HG   GLU  16          3HG       GLU  16   0.998   4.718  10.288
  129    H    ASP  17           HN       ASP  17   2.792   6.004   6.604
  130    HA   ASP  17           HA       ASP  17   4.022   8.609   5.791
  131   1HB   ASP  17          2HB       ASP  17   4.476   5.749   4.882
  132   2HB   ASP  17          3HB       ASP  17   5.308   7.152   4.234
  133    H    GLY  18           HN       GLY  18   1.711   6.109   4.771
  134   1HA   GLY  18          2HA       GLY  18   0.310   5.932   3.057
  135   2HA   GLY  18          3HA       GLY  18   0.522   7.647   2.657
  136    H    ASP  19           HN       ASP  19   0.599   7.047   0.451
  137    HA   ASP  19           HA       ASP  19   3.313   6.515  -0.509
  138   1HB   ASP  19          2HB       ASP  19   1.020   4.641  -0.941
  139   2HB   ASP  19          3HB       ASP  19   1.868   5.094  -2.408
  140    HA   PRO  20           HA       PRO  20   0.577  10.007  -1.955
  141   1HB   PRO  20          2HB       PRO  20   2.345  12.100  -1.587
  142   2HB   PRO  20          3HB       PRO  20   1.227  11.477  -0.336
  143   1HG   PRO  20          2HG       PRO  20   4.153  10.793  -0.729
  144   2HG   PRO  20          3HG       PRO  20   3.317  11.209   0.799
  145   1HD   PRO  20          2HD       PRO  20   3.805   8.640   0.137
  146   2HD   PRO  20          3HD       PRO  20   2.243   9.093   0.877
  147    H    ASP  21           HN       ASP  21   3.946   9.092  -2.770
  148    HA   ASP  21           HA       ASP  21   4.219  10.686  -5.098
  149   1HB   ASP  21          2HB       ASP  21   5.456   8.053  -4.144
  150   2HB   ASP  21          3HB       ASP  21   6.000   8.959  -5.552
  151    H    ASN  22           HN       ASN  22   2.625   7.682  -4.321
  152    HA   ASN  22           HA       ASN  22   2.118   6.947  -7.141
  153   1HB   ASN  22          2HB       ASN  22   1.378   5.529  -4.553
  154   2HB   ASN  22          3HB       ASN  22   1.284   4.864  -6.178
  155   1HD2  ASN  22          2HND      ASN  22   4.793   4.737  -4.142
  156   2HD2  ASN  22          1HND      ASN  22   3.477   5.685  -3.505
  157    H    GLY  23           HN       GLY  23   0.592   8.231  -4.323
  158   1HA   GLY  23          2HA       GLY  23  -1.118   9.893  -5.096
  159   2HA   GLY  23          3HA       GLY  23  -2.010   8.536  -5.795
  160    H    VAL  24           HN       VAL  24  -0.541   7.620  -2.823
  161    HA   VAL  24           HA       VAL  24  -3.197   7.737  -1.456
  162    HB   VAL  24           HB       VAL  24  -0.763   5.972  -1.266
  163   1HG1  VAL  24          3HG1      VAL  24  -3.219   6.010   0.509
  164   2HG1  VAL  24          1HG1      VAL  24  -2.079   4.654   0.384
  165   3HG1  VAL  24          2HG1      VAL  24  -1.518   6.211   1.015
  166   1HG2  VAL  24          3HG2      VAL  24  -2.415   5.563  -3.117
  167   2HG2  VAL  24          1HG2      VAL  24  -2.318   4.222  -1.956
  168   3HG2  VAL  24          2HG2      VAL  24  -3.685   5.356  -1.900
  169    H    ASN  25           HN       ASN  25  -3.380   9.363  -0.070
  170    HA   ASN  25           HA       ASN  25  -1.152  10.966   0.769
  171   1HB   ASN  25          2HB       ASN  25  -4.106  10.833   1.480
  172   2HB   ASN  25          3HB       ASN  25  -3.016  11.843   2.415
  173   1HD2  ASN  25          2HND      ASN  25  -3.582  12.882  -1.543
  174   2HD2  ASN  25          1HND      ASN  25  -3.704  11.193  -1.114
  175    HA   PRO  26           HA       PRO  26   0.026   8.826   4.523
  176   1HB   PRO  26          2HB       PRO  26   0.452  10.945   6.285
  177   2HB   PRO  26          3HB       PRO  26   1.622  10.313   5.107
  178   1HG   PRO  26          2HG       PRO  26  -0.157  12.720   4.857
  179   2HG   PRO  26          3HG       PRO  26   1.537  12.487   4.304
  180   1HD   PRO  26          2HD       PRO  26  -0.638  12.354   2.619
  181   2HD   PRO  26          3HD       PRO  26   0.837  11.377   2.357
  182    H    GLY  27           HN       GLY  27  -0.846   8.165   6.397
  183   1HA   GLY  27          2HA       GLY  27  -2.381   7.821   8.063
  184   2HA   GLY  27          3HA       GLY  27  -3.235   9.309   7.625
  185    H    THR  28           HN       THR  28  -2.669   6.982   4.915
  186    HA   THR  28           HA       THR  28  -5.588   6.498   4.999
  187    HB   THR  28           HB       THR  28  -3.461   6.050   2.858
  188    HG1  THR  28           HG1      THR  28  -3.745   8.193   2.921
  189   1HG2  THR  28          2HG2      THR  28  -6.492   5.913   2.821
  190   2HG2  THR  28          3HG2      THR  28  -5.454   5.842   1.375
  191   3HG2  THR  28          1HG2      THR  28  -5.351   4.561   2.602
  192    H    ASP  29           HN       ASP  29  -6.211   4.759   5.953
  193    HA   ASP  29           HA       ASP  29  -4.684   2.435   6.639
  194   1HB   ASP  29          2HB       ASP  29  -6.903   3.179   7.565
  195   2HB   ASP  29          3HB       ASP  29  -7.649   2.696   6.064
  196    H    PHE  30           HN       PHE  30  -4.245   0.698   5.450
  197    HA   PHE  30           HA       PHE  30  -4.198   0.513   2.688
  198   1HB   PHE  30          2HB       PHE  30  -3.285  -0.988   4.642
  199   2HB   PHE  30          3HB       PHE  30  -4.732  -1.950   4.358
  200    HD1  PHE  30           HD2      PHE  30  -5.106  -2.688   1.808
  201    HD2  PHE  30           HD1      PHE  30  -1.399  -1.162   3.365
  202    HE1  PHE  30           HE2      PHE  30  -3.904  -3.504  -0.199
  203    HE2  PHE  30           HE1      PHE  30  -0.185  -2.152   1.421
  204    HZ   PHE  30           HZ       PHE  30  -1.455  -3.305  -0.316
  205    H    LYS  31           HN       LYS  31  -7.019  -0.099   4.873
  206    HA   LYS  31           HA       LYS  31  -8.435  -1.566   2.786
  207   1HB   LYS  31          2HB       LYS  31 -10.293  -1.563   4.210
  208   2HB   LYS  31          3HB       LYS  31  -8.843  -1.825   5.206
  209   1HG   LYS  31          2HG       LYS  31  -8.844   0.725   5.571
  210   2HG   LYS  31          3HG       LYS  31 -10.416   0.745   4.816
  211   1HD   LYS  31          2HD       LYS  31 -11.198  -0.911   6.518
  212   2HD   LYS  31          3HD       LYS  31  -9.584  -0.796   7.283
  213   1HE   LYS  31          2HE       LYS  31  -9.908   1.706   7.505
  214   2HE   LYS  31          3HE       LYS  31 -11.532   1.550   6.835
  215   1HZ   LYS  31          2HNZ      LYS  31 -10.545   0.326   9.318
  216   2HZ   LYS  31          3HNZ      LYS  31 -11.521   1.651   9.217
  217   3HZ   LYS  31          1HNZ      LYS  31 -12.090   0.179   8.733
  218    H    ASP  32           HN       ASP  32  -8.068   1.801   3.767
  219    HA   ASP  32           HA       ASP  32 -10.344   2.790   2.242
  220   1HB   ASP  32          2HB       ASP  32  -8.108   4.229   3.736
  221   2HB   ASP  32          3HB       ASP  32  -9.541   4.987   3.041
  222    H    ILE  33           HN       ILE  33  -6.957   2.011   1.555
  223    HA   ILE  33           HA       ILE  33  -6.307   3.880  -0.331
  224    HB   ILE  33           HB       ILE  33  -5.824   0.958  -0.130
  225   1HG1  ILE  33          2HG1      ILE  33  -4.346   3.436   0.710
  226   2HG1  ILE  33          3HG1      ILE  33  -4.939   2.198   1.738
  227   1HG2  ILE  33          2HG2      ILE  33  -5.398   1.704  -2.441
  228   2HG2  ILE  33          3HG2      ILE  33  -4.221   2.866  -1.765
  229   3HG2  ILE  33          1HG2      ILE  33  -3.989   1.105  -1.577
  230   1HD1  ILE  33          1HD1      ILE  33  -3.302   0.578   0.533
  231   2HD1  ILE  33          2HD1      ILE  33  -2.526   2.066  -0.080
  232   3HD1  ILE  33          3HD1      ILE  33  -2.648   1.762   1.662
  233    HA   PRO  34           HA       PRO  34  -9.579   3.021  -3.384
  234   1HB   PRO  34          2HB       PRO  34  -7.743   3.876  -5.516
  235   2HB   PRO  34          3HB       PRO  34  -9.232   4.674  -4.958
  236   1HG   PRO  34          2HG       PRO  34  -6.602   5.599  -4.553
  237   2HG   PRO  34          3HG       PRO  34  -8.018   6.076  -3.572
  238   1HD   PRO  34          2HD       PRO  34  -5.843   4.115  -2.870
  239   2HD   PRO  34          3HD       PRO  34  -6.848   5.142  -1.832
  240    H    ASP  35           HN       ASP  35  -9.986   1.061  -4.585
  241    HA   ASP  35           HA       ASP  35  -7.782  -0.793  -4.676
  242   1HB   ASP  35          2HB       ASP  35 -10.736  -0.865  -4.833
  243   2HB   ASP  35          3HB       ASP  35  -9.923  -1.971  -5.911
  244    H    ASP  36           HN       ASP  36  -8.694   1.650  -6.849
  245    HA   ASP  36           HA       ASP  36  -7.531   0.379  -9.194
  246   1HB   ASP  36          2HB       ASP  36  -7.662   2.704 -10.069
  247   2HB   ASP  36          3HB       ASP  36  -9.219   2.126  -9.459
  248    H    TRP  37           HN       TRP  37  -6.216   1.542  -6.232
  249    HA   TRP  37           HA       TRP  37  -3.858   2.812  -7.281
  250   1HB   TRP  37          2HB       TRP  37  -4.636   3.198  -5.005
  251   2HB   TRP  37          3HB       TRP  37  -4.491   1.475  -4.654
  252    HD1  TRP  37           HD       TRP  37  -2.140   4.463  -5.280
  253    HE1  TRP  37           HNE      TRP  37   0.010   4.025  -3.945
  254    HE3  TRP  37           HE       TRP  37  -3.046  -0.332  -3.917
  255    HZ2  TRP  37           HZ1      TRP  37   1.149   1.868  -2.363
  256    HZ3  TRP  37           HZ2      TRP  37  -1.403  -1.598  -2.498
  257    HH2  TRP  37           HH       TRP  37   0.657  -0.483  -1.689
  258    H    VAL  38           HN       VAL  38  -1.721   1.949  -7.092
  259    HA   VAL  38           HA       VAL  38  -1.455  -0.950  -7.713
  260    HB   VAL  38           HB       VAL  38  -1.485   0.460  -9.756
  261   1HG1  VAL  38          2HG1      VAL  38  -0.540   2.564  -8.829
  262   2HG1  VAL  38          3HG1      VAL  38   1.042   1.773  -8.661
  263   3HG1  VAL  38          1HG1      VAL  38   0.330   2.011 -10.265
  264   1HG2  VAL  38          3HG2      VAL  38  -0.197  -1.610  -9.787
  265   2HG2  VAL  38          1HG2      VAL  38   0.568  -0.369 -10.785
  266   3HG2  VAL  38          2HG2      VAL  38   1.247  -0.748  -9.192
  267    H    CYS  39           HN       CYN  39   0.576  -1.841  -7.088
  268    HA   CYS  39           HA       CYN  39   1.799  -1.439  -4.782
  269   1HB   CYS  39          2HB       CYN  39   2.789  -2.263  -7.483
  270   2HB   CYS  39          3HB       CYN  39   3.958  -2.050  -6.195
  271    HA   PRO  40           HA       PRO  40   3.869   2.427  -4.752
  272   1HB   PRO  40          2HB       PRO  40   5.631   2.192  -2.707
  273   2HB   PRO  40          3HB       PRO  40   3.864   2.045  -2.489
  274   1HG   PRO  40          2HG       PRO  40   5.812  -0.234  -2.798
  275   2HG   PRO  40          3HG       PRO  40   4.600   0.020  -1.505
  276   1HD   PRO  40          2HD       PRO  40   4.034  -1.521  -3.699
  277   2HD   PRO  40          3HD       PRO  40   2.802  -0.462  -2.954
  278    H    LEU  41           HN       LEU  41   6.061  -0.409  -4.991
  279    HA   LEU  41           HA       LEU  41   7.844   1.148  -6.808
  280   1HB   LEU  41          2HB       LEU  41   8.735  -0.629  -4.501
  281   2HB   LEU  41          3HB       LEU  41   9.808   0.022  -5.742
  282    HG   LEU  41           HG       LEU  41   8.239   1.727  -3.763
  283   1HD1  LEU  41          3HD1      LEU  41  10.020   0.401  -2.653
  284   2HD1  LEU  41          1HD1      LEU  41  11.202   0.998  -3.836
  285   3HD1  LEU  41          2HD1      LEU  41  10.428   2.119  -2.701
  286   1HD2  LEU  41          2HD2      LEU  41  10.440   2.460  -5.761
  287   2HD2  LEU  41          3HD2      LEU  41   8.748   2.987  -5.850
  288   3HD2  LEU  41          1HD2      LEU  41   9.770   3.541  -4.527
  289    H    CYS  42           HN       CYN  42   5.624  -0.649  -7.340
  290    HA   CYS  42           HA       CYN  42   6.945  -2.570  -9.037
  291   1HB   CYS  42          2HB       CYN  42   4.994  -4.164  -7.712
  292   2HB   CYS  42          3HB       CYN  42   6.739  -4.372  -7.805
  293    H    GLY  43           HN       GLY  43   4.717  -3.954  -9.907
  294   1HA   GLY  43          2HA       GLY  43   2.751  -1.818 -10.684
  295   2HA   GLY  43          3HA       GLY  43   3.607  -2.783 -11.886
  296    H    VAL  44           HN       VAL  44   1.886  -3.445  -8.766
  297    HA   VAL  44           HA       VAL  44   0.103  -5.385 -10.122
  298    HB   VAL  44           HB       VAL  44   1.881  -5.860  -7.691
  299   1HG1  VAL  44          3HG1      VAL  44  -0.487  -7.540  -8.613
  300   2HG1  VAL  44          1HG1      VAL  44   0.768  -8.075  -7.476
  301   3HG1  VAL  44          2HG1      VAL  44  -0.280  -6.736  -7.036
  302   1HG2  VAL  44          1HG2      VAL  44   1.513  -7.375 -10.310
  303   2HG2  VAL  44          2HG2      VAL  44   2.917  -6.381  -9.869
  304   3HG2  VAL  44          3HG2      VAL  44   2.577  -7.862  -8.974
  305    H    GLY  45           HN       GLY  45  -1.850  -5.794  -8.765
  306   1HA   GLY  45          2HA       GLY  45  -2.914  -3.261  -7.775
  307   2HA   GLY  45          3HA       GLY  45  -3.750  -4.815  -7.939
  308    H    LYS  46           HN       LYS  46  -4.526  -3.828  -5.748
  309    HA   LYS  46           HA       LYS  46  -2.774  -4.175  -3.438
  310   1HB   LYS  46          2HB       LYS  46  -5.794  -3.971  -3.727
  311   2HB   LYS  46          3HB       LYS  46  -4.916  -4.036  -2.186
  312   1HG   LYS  46          2HG       LYS  46  -3.834  -1.933  -2.647
  313   2HG   LYS  46          3HG       LYS  46  -4.533  -1.912  -4.299
  314   1HD   LYS  46          2HD       LYS  46  -5.965  -0.496  -3.072
  315   2HD   LYS  46          3HD       LYS  46  -6.800  -2.046  -3.224
  316   1HE   LYS  46          2HE       LYS  46  -5.988  -2.635  -0.882
  317   2HE   LYS  46          3HE       LYS  46  -5.368  -1.013  -0.769
  318   1HZ   LYS  46          1HNZ      LYS  46  -8.220  -1.639  -1.352
  319   2HZ   LYS  46          2HNZ      LYS  46  -7.612  -1.167   0.157
  320   3HZ   LYS  46          3HNZ      LYS  46  -7.632  -0.160  -1.126
  321    H    ASP  47           HN       ASP  47  -5.573  -5.918  -4.732
  322    HA   ASP  47           HA       ASP  47  -6.534  -7.853  -4.433
  323   1HB   ASP  47          2HB       ASP  47  -3.774  -9.013  -4.800
  324   2HB   ASP  47          3HB       ASP  47  -5.326  -9.662  -5.320
  325    H    GLN  48           HN       GLN  48  -3.509  -8.377  -2.536
  326    HA   GLN  48           HA       GLN  48  -5.102  -9.272  -0.225
  327   1HB   GLN  48          2HB       GLN  48  -2.869 -10.980  -1.419
  328   2HB   GLN  48          3HB       GLN  48  -3.729 -11.273   0.102
  329   1HG   GLN  48          2HG       GLN  48  -5.881 -11.441  -1.253
  330   2HG   GLN  48          3HG       GLN  48  -4.891 -11.358  -2.719
  331   1HE2  GLN  48          2HNE      GLN  48  -4.818 -14.771  -0.408
  332   2HE2  GLN  48          1HNE      GLN  48  -5.417 -13.270   0.281
  333    H    PHE  49           HN       PHE  49  -4.083  -8.701   1.690
  334    HA   PHE  49           HA       PHE  49  -1.357  -7.581   1.672
  335   1HB   PHE  49          2HB       PHE  49  -2.364  -5.346   2.438
  336   2HB   PHE  49          3HB       PHE  49  -2.415  -5.761   0.744
  337    HD1  PHE  49           HD1      PHE  49  -4.486  -6.189  -0.476
  338    HD2  PHE  49           HD2      PHE  49  -4.559  -5.368   3.750
  339    HE1  PHE  49           HE1      PHE  49  -6.906  -5.678  -0.608
  340    HE2  PHE  49           HE2      PHE  49  -6.950  -4.781   3.607
  341    HZ   PHE  49           HZ       PHE  49  -8.137  -4.926   1.422
  342    H    GLU  50           HN       GLU  50  -0.545  -8.476   3.476
  343    HA   GLU  50           HA       GLU  50  -2.316  -9.291   5.695
  344   1HB   GLU  50          2HB       GLU  50   0.668  -9.592   5.187
  345   2HB   GLU  50          3HB       GLU  50  -0.169 -10.218   6.585
  346   1HG   GLU  50          2HG       GLU  50  -1.608 -11.632   5.116
  347   2HG   GLU  50          3HG       GLU  50  -0.787 -10.990   3.681
  348    H    GLU  51           HN       GLU  51  -2.354  -8.197   7.677
  349    HA   GLU  51           HA       GLU  51  -1.263  -5.522   7.795
  350   1HB   GLU  51          2HB       GLU  51  -3.492  -5.995   8.666
  351   2HB   GLU  51          3HB       GLU  51  -2.858  -7.294   9.708
  352   1HG   GLU  51          2HG       GLU  51  -1.618  -5.825  10.979
  353   2HG   GLU  51          3HG       GLU  51  -1.960  -4.412   9.953
  354    H    VAL  52           HN       VAL  52   0.562  -4.884   8.957
  355    HA   VAL  52           HA       VAL  52   2.358  -6.943  10.072
  356    HB   VAL  52           HB       VAL  52   2.669  -4.175   8.807
  357   1HG1  VAL  52          2HG1      VAL  52   4.719  -5.799  10.372
  358   2HG1  VAL  52          3HG1      VAL  52   5.071  -4.363   9.370
  359   3HG1  VAL  52          1HG1      VAL  52   4.048  -4.210  10.803
  360   1HG2  VAL  52          3HG2      VAL  52   2.573  -6.143   7.314
  361   2HG2  VAL  52          1HG2      VAL  52   4.131  -5.302   7.317
  362   3HG2  VAL  52          2HG2      VAL  52   3.956  -6.850   8.180
  363    H    GLU  53           HN       GLU  53   1.872  -7.209  12.149
  364    HA   GLU  53           HA       GLU  53   0.511  -5.372  13.737
  365   1HB   GLU  53          2HB       GLU  53   0.825  -7.005  15.463
  366   2HB   GLU  53          3HB       GLU  53   0.182  -7.679  13.967
  367   1HG   GLU  53          2HG       GLU  53   2.504  -8.558  13.443
  368   2HG   GLU  53          3HG       GLU  53   3.038  -7.967  15.014
  369    H    GLU  54           HN       GLU  54   2.229  -3.720  13.157
  370    HA   GLU  54           HA       GLU  54   3.884  -3.234  15.598
  371   1HB   GLU  54          2HB       GLU  54   3.333  -1.234  13.384
  372   2HB   GLU  54          3HB       GLU  54   4.435  -1.105  14.754
  373   1HG   GLU  54          2HG       GLU  54   5.548  -3.293  13.688
  374   2HG   GLU  54          3HG       GLU  54   4.705  -2.761  12.245
   
  No H/Q in entry =         374
  Start of MODEL    3
    1   1H    MET   1          2HN       MET   1  -0.804   4.283  12.218
    2   2H    MET   1          3HN       MET   1  -2.309   4.737  12.671
    3   3H    MET   1          1HN       MET   1  -1.455   3.580  13.478
    4    HA   MET   1           HA       MET   1  -3.134   2.451  12.253
    5   1HB   MET   1          2HB       MET   1  -1.977   4.041   9.943
    6   2HB   MET   1          3HB       MET   1  -2.920   2.550   9.680
    7   1HG   MET   1          2HG       MET   1  -4.788   3.667  10.982
    8   2HG   MET   1          3HG       MET   1  -3.828   5.164  10.893
    9   1HE   MET   1          3HE       MET   1  -6.828   4.805   9.831
   10   2HE   MET   1          1HE       MET   1  -5.959   6.357   9.667
   11   3HE   MET   1          2HE       MET   1  -6.753   5.621   8.255
   12    H    LYS   2           HN       LYS   2  -2.654   0.408  10.986
   13    HA   LYS   2           HA       LYS   2   0.032  -0.518  11.795
   14   1HB   LYS   2          2HB       LYS   2  -2.416  -1.972  10.714
   15   2HB   LYS   2          3HB       LYS   2  -0.852  -2.699  11.078
   16   1HG   LYS   2          2HG       LYS   2  -1.548  -1.219  13.423
   17   2HG   LYS   2          3HG       LYS   2  -3.032  -2.042  12.870
   18   1HD   LYS   2          2HD       LYS   2  -1.523  -4.137  12.573
   19   2HD   LYS   2          3HD       LYS   2  -0.288  -3.278  13.462
   20   1HE   LYS   2          2HE       LYS   2  -3.127  -3.667  14.507
   21   2HE   LYS   2          3HE       LYS   2  -1.923  -4.944  14.624
   22   1HZ   LYS   2          2HNZ      LYS   2  -0.438  -3.291  15.744
   23   2HZ   LYS   2          3HNZ      LYS   2  -1.682  -2.253  15.815
   24   3HZ   LYS   2          1HNZ      LYS   2  -1.788  -3.687  16.625
   25    H    LYS   3           HN       LYS   3   1.523  -1.368  10.412
   26    HA   LYS   3           HA       LYS   3   1.520  -0.503   7.632
   27   1HB   LYS   3          2HB       LYS   3   3.402  -2.172   9.312
   28   2HB   LYS   3          3HB       LYS   3   3.740  -1.592   7.669
   29   1HG   LYS   3          2HG       LYS   3   3.353   0.744   8.410
   30   2HG   LYS   3          3HG       LYS   3   3.103   0.211  10.053
   31   1HD   LYS   3          2HD       LYS   3   5.440  -0.868   9.936
   32   2HD   LYS   3          3HD       LYS   3   5.673   0.052   8.432
   33   1HE   LYS   3          2HE       LYS   3   5.220   2.174   9.705
   34   2HE   LYS   3          3HE       LYS   3   4.928   1.227  11.169
   35   1HZ   LYS   3          2HNZ      LYS   3   7.514   1.251   9.772
   36   2HZ   LYS   3          3HNZ      LYS   3   7.127   2.145  11.114
   37   3HZ   LYS   3          1HNZ      LYS   3   7.096   0.514  11.206
   38    H    TYR   4           HN       TYR   4   2.234  -2.182   6.028
   39    HA   TYR   4           HA       TYR   4   0.847  -4.776   6.349
   40   1HB   TYR   4          2HB       TYR   4   0.020  -2.695   4.309
   41   2HB   TYR   4          3HB       TYR   4  -0.189  -4.389   4.008
   42    HD1  TYR   4           HD2      TYR   4  -1.163  -1.774   6.585
   43    HD2  TYR   4           HD1      TYR   4  -2.097  -5.433   4.566
   44    HE1  TYR   4           HE2      TYR   4  -3.165  -2.012   7.994
   45    HE2  TYR   4           HE1      TYR   4  -4.054  -5.772   6.105
   46    HH   TYR   4           HOH      TYR   4  -4.604  -4.012   8.892
   47    H    THR   5           HN       THR   5   1.530  -6.407   4.902
   48    HA   THR   5           HA       THR   5   4.158  -5.972   3.700
   49    HB   THR   5           HB       THR   5   2.410  -8.454   3.669
   50    HG1  THR   5           HG1      THR   5   2.805  -7.813   5.796
   51   1HG2  THR   5          1HG2      THR   5   5.422  -8.061   3.371
   52   2HG2  THR   5          2HG2      THR   5   4.574  -9.618   3.454
   53   3HG2  THR   5          3HG2      THR   5   4.299  -8.541   2.076
   54    H    CYS   6           HN       CYN   6   4.430  -5.298   1.682
   55    HA   CYS   6           HA       CYN   6   2.490  -5.050  -0.397
   56   1HB   CYS   6          2HB       CYN   6   4.688  -3.876  -0.032
   57   2HB   CYS   6          3HB       CYN   6   5.480  -5.326  -0.673
   58    H    THR   7           HN       THR   7   1.382  -6.955  -0.734
   59    HA   THR   7           HA       THR   7   2.570  -9.523  -0.440
   60    HB   THR   7           HB       THR   7  -0.075  -8.605  -1.632
   61    HG1  THR   7           HG1      THR   7   0.627  -8.276   0.669
   62   1HG2  THR   7          2HG2      THR   7   0.826 -11.412  -0.823
   63   2HG2  THR   7          3HG2      THR   7  -0.840 -10.919  -1.181
   64   3HG2  THR   7          1HG2      THR   7   0.373 -10.877  -2.464
   65    H    VAL   8           HN       VAL   8   3.247 -11.005  -1.916
   66    HA   VAL   8           HA       VAL   8   4.557 -11.667  -3.550
   67    HB   VAL   8           HB       VAL   8   2.434 -12.057  -4.572
   68   1HG1  VAL   8          2HG1      VAL   8   2.705  -9.355  -5.924
   69   2HG1  VAL   8          3HG1      VAL   8   1.649 -10.653  -6.513
   70   3HG1  VAL   8          1HG1      VAL   8   1.360  -9.967  -4.923
   71   1HG2  VAL   8          1HG2      VAL   8   4.599 -12.655  -5.749
   72   2HG2  VAL   8          2HG2      VAL   8   3.129 -12.594  -6.736
   73   3HG2  VAL   8          3HG2      VAL   8   4.289 -11.268  -6.822
   74    H    CYS   9           HN       CYN   9   5.080  -8.909  -2.407
   75    HA   CYS   9           HA       CYN   9   7.216  -8.162  -4.324
   76   1HB   CYS   9          2HB       CYN   9   5.093  -6.489  -3.016
   77   2HB   CYS   9          3HB       CYN   9   6.583  -5.757  -3.646
   78    H    GLY  10           HN       GLY  10   8.209  -6.094  -2.654
   79   1HA   GLY  10          2HA       GLY  10   8.525  -7.129   0.088
   80   2HA   GLY  10          3HA       GLY  10   9.970  -7.162  -0.941
   81    H    TYR  11           HN       TYR  11   7.250  -4.920  -0.240
   82    HA   TYR  11           HA       TYR  11   9.110  -2.701   0.368
   83   1HB   TYR  11          2HB       TYR  11   8.552  -2.996  -2.185
   84   2HB   TYR  11          3HB       TYR  11   6.988  -2.338  -1.781
   85    HD1  TYR  11           HD2      TYR  11   6.919   0.060  -0.749
   86    HD2  TYR  11           HD1      TYR  11  10.492  -1.688  -2.422
   87    HE1  TYR  11           HE2      TYR  11   7.907   2.311  -1.002
   88    HE2  TYR  11           HE1      TYR  11  11.485   0.560  -2.648
   89    HH   TYR  11           HOH      TYR  11  11.159   2.824  -2.404
   90    H    ILE  12           HN       ILE  12   7.978  -3.485   2.433
   91    HA   ILE  12           HA       ILE  12   5.368  -3.503   3.048
   92    HB   ILE  12           HB       ILE  12   7.787  -2.667   4.599
   93   1HG1  ILE  12          2HG1      ILE  12   5.602  -4.722   5.149
   94   2HG1  ILE  12          3HG1      ILE  12   6.952  -5.039   4.052
   95   1HG2  ILE  12          2HG2      ILE  12   4.972  -2.338   5.731
   96   2HG2  ILE  12          3HG2      ILE  12   6.450  -2.375   6.702
   97   3HG2  ILE  12          1HG2      ILE  12   6.197  -1.060   5.582
   98   1HD1  ILE  12          2HD1      ILE  12   8.562  -4.685   5.888
   99   2HD1  ILE  12          3HD1      ILE  12   7.215  -4.436   7.026
  100   3HD1  ILE  12          1HD1      ILE  12   7.416  -5.997   6.221
  101    H    TYR  13           HN       TYR  13   3.635  -2.290   3.150
  102    HA   TYR  13           HA       TYR  13   3.777   0.531   2.305
  103   1HB   TYR  13          2HB       TYR  13   2.039  -0.857   1.376
  104   2HB   TYR  13          3HB       TYR  13   1.504  -1.355   2.987
  105    HD1  TYR  13           HD1      TYR  13   0.319   0.253   4.489
  106    HD2  TYR  13           HD2      TYR  13   1.053   1.079   0.357
  107    HE1  TYR  13           HE1      TYR  13  -1.251   2.152   4.552
  108    HE2  TYR  13           HE2      TYR  13  -0.007   3.335   0.615
  109    HH   TYR  13           HOH      TYR  13  -2.000   4.119   3.520
  110    H    ASN  14           HN       ASN  14   3.559   2.219   3.697
  111    HA   ASN  14           HA       ASN  14   2.953   1.658   6.552
  112   1HB   ASN  14          2HB       ASN  14   5.360   2.258   6.160
  113   2HB   ASN  14          3HB       ASN  14   4.839   3.777   5.431
  114   1HD2  ASN  14          2HND      ASN  14   5.625   4.587   8.923
  115   2HD2  ASN  14          1HND      ASN  14   6.265   4.567   7.293
  116    HA   PRO  15           HA       PRO  15  -0.353   4.296   5.169
  117   1HB   PRO  15          2HB       PRO  15  -1.854   4.358   7.522
  118   2HB   PRO  15          3HB       PRO  15  -1.916   2.983   6.406
  119   1HG   PRO  15          2HG       PRO  15  -0.334   3.175   8.944
  120   2HG   PRO  15          3HG       PRO  15  -1.224   1.809   8.190
  121   1HD   PRO  15          2HD       PRO  15   1.495   2.244   8.163
  122   2HD   PRO  15          3HD       PRO  15   0.689   1.253   6.952
  123    H    GLU  16           HN       GLU  16   1.387   4.771   8.201
  124    HA   GLU  16           HA       GLU  16   0.452   7.402   8.688
  125   1HB   GLU  16          2HB       GLU  16   3.065   6.069   9.479
  126   2HB   GLU  16          3HB       GLU  16   2.313   7.487  10.191
  127   1HG   GLU  16          2HG       GLU  16   0.181   5.787  10.331
  128   2HG   GLU  16          3HG       GLU  16   1.460   4.559  10.288
  129    H    ASP  17           HN       ASP  17   2.823   6.103   6.552
  130    HA   ASP  17           HA       ASP  17   3.938   8.766   5.768
  131   1HB   ASP  17          2HB       ASP  17   4.498   5.934   4.837
  132   2HB   ASP  17          3HB       ASP  17   5.286   7.372   4.197
  133    H    GLY  18           HN       GLY  18   1.722   6.186   4.716
  134   1HA   GLY  18          2HA       GLY  18   0.342   5.970   3.002
  135   2HA   GLY  18          3HA       GLY  18   0.445   7.705   2.657
  136    H    ASP  19           HN       ASP  19   0.545   7.206   0.419
  137    HA   ASP  19           HA       ASP  19   3.270   6.879  -0.594
  138   1HB   ASP  19          2HB       ASP  19   1.071   4.883  -1.096
  139   2HB   ASP  19          3HB       ASP  19   1.976   5.401  -2.510
  140    HA   PRO  20           HA       PRO  20   0.259  10.202  -1.905
  141   1HB   PRO  20          2HB       PRO  20   1.927  12.397  -1.598
  142   2HB   PRO  20          3HB       PRO  20   0.862  11.721  -0.328
  143   1HG   PRO  20          2HG       PRO  20   3.811  11.213  -0.756
  144   2HG   PRO  20          3HG       PRO  20   2.965  11.547   0.783
  145   1HD   PRO  20          2HD       PRO  20   3.626   9.028   0.061
  146   2HD   PRO  20          3HD       PRO  20   2.058   9.355   0.851
  147    H    ASP  21           HN       ASP  21   3.722   9.744  -2.813
  148    HA   ASP  21           HA       ASP  21   3.784  11.170  -5.179
  149   1HB   ASP  21          2HB       ASP  21   5.124   8.527  -4.418
  150   2HB   ASP  21          3HB       ASP  21   5.676   9.663  -5.652
  151    H    ASN  22           HN       ASN  22   2.305   8.122  -4.369
  152    HA   ASN  22           HA       ASN  22   1.810   7.345  -7.186
  153   1HB   ASN  22          2HB       ASN  22   1.324   5.810  -4.609
  154   2HB   ASN  22          3HB       ASN  22   1.302   5.165  -6.245
  155   1HD2  ASN  22          2HND      ASN  22   4.847   5.622  -4.267
  156   2HD2  ASN  22          1HND      ASN  22   3.393   6.342  -3.619
  157    H    GLY  23           HN       GLY  23   0.288   8.620  -4.378
  158   1HA   GLY  23          2HA       GLY  23  -1.613  10.018  -5.066
  159   2HA   GLY  23          3HA       GLY  23  -2.389   8.585  -5.748
  160    H    VAL  24           HN       VAL  24  -0.725   7.854  -2.818
  161    HA   VAL  24           HA       VAL  24  -3.345   7.681  -1.367
  162    HB   VAL  24           HB       VAL  24  -0.778   6.115  -1.298
  163   1HG1  VAL  24          2HG1      VAL  24  -3.189   5.910   0.523
  164   2HG1  VAL  24          3HG1      VAL  24  -1.965   4.640   0.333
  165   3HG1  VAL  24          1HG1      VAL  24  -1.497   6.211   1.001
  166   1HG2  VAL  24          3HG2      VAL  24  -2.402   5.604  -3.138
  167   2HG2  VAL  24          1HG2      VAL  24  -2.212   4.252  -2.005
  168   3HG2  VAL  24          2HG2      VAL  24  -3.651   5.291  -1.921
  169    H    ASN  25           HN       ASN  25  -3.593   9.304   0.031
  170    HA   ASN  25           HA       ASN  25  -1.433  11.000   0.871
  171   1HB   ASN  25          2HB       ASN  25  -4.359  10.694   1.631
  172   2HB   ASN  25          3HB       ASN  25  -3.306  11.728   2.582
  173   1HD2  ASN  25          2HND      ASN  25  -3.989  12.852  -1.334
  174   2HD2  ASN  25          1HND      ASN  25  -4.035  11.149  -0.946
  175    HA   PRO  26           HA       PRO  26  -0.086   8.831   4.556
  176   1HB   PRO  26          2HB       PRO  26   0.288  10.923   6.356
  177   2HB   PRO  26          3HB       PRO  26   1.456  10.370   5.139
  178   1HG   PRO  26          2HG       PRO  26  -0.421  12.709   4.994
  179   2HG   PRO  26          3HG       PRO  26   1.264  12.555   4.390
  180   1HD   PRO  26          2HD       PRO  26  -0.965  12.375   2.768
  181   2HD   PRO  26          3HD       PRO  26   0.553  11.493   2.425
  182    H    GLY  27           HN       GLY  27  -0.909   8.097   6.419
  183   1HA   GLY  27          2HA       GLY  27  -2.441   7.593   8.057
  184   2HA   GLY  27          3HA       GLY  27  -3.305   9.109   7.737
  185    H    THR  28           HN       THR  28  -2.693   6.830   4.981
  186    HA   THR  28           HA       THR  28  -5.621   6.343   4.972
  187    HB   THR  28           HB       THR  28  -3.434   5.981   2.870
  188    HG1  THR  28           HG1      THR  28  -3.847   8.121   3.008
  189   1HG2  THR  28          3HG2      THR  28  -6.453   5.698   2.763
  190   2HG2  THR  28          1HG2      THR  28  -5.385   5.685   1.339
  191   3HG2  THR  28          2HG2      THR  28  -5.241   4.406   2.564
  192    H    ASP  29           HN       ASP  29  -6.246   4.516   5.805
  193    HA   ASP  29           HA       ASP  29  -4.545   2.344   6.604
  194   1HB   ASP  29          2HB       ASP  29  -6.871   2.946   7.452
  195   2HB   ASP  29          3HB       ASP  29  -7.505   2.296   5.967
  196    H    PHE  30           HN       PHE  30  -3.992   0.572   5.475
  197    HA   PHE  30           HA       PHE  30  -3.941   0.401   2.683
  198   1HB   PHE  30          2HB       PHE  30  -2.913  -1.081   4.580
  199   2HB   PHE  30          3HB       PHE  30  -4.330  -2.097   4.351
  200    HD1  PHE  30           HD2      PHE  30  -4.763  -2.877   1.811
  201    HD2  PHE  30           HD1      PHE  30  -1.083  -1.154   3.207
  202    HE1  PHE  30           HE2      PHE  30  -3.600  -3.628  -0.248
  203    HE2  PHE  30           HE1      PHE  30   0.110  -2.123   1.242
  204    HZ   PHE  30           HZ       PHE  30  -1.158  -3.383  -0.423
  205    H    LYS  31           HN       LYS  31  -6.745  -0.384   4.827
  206    HA   LYS  31           HA       LYS  31  -8.072  -1.881   2.686
  207   1HB   LYS  31          2HB       LYS  31  -9.955  -1.966   4.100
  208   2HB   LYS  31          3HB       LYS  31  -8.491  -2.254   5.062
  209   1HG   LYS  31          2HG       LYS  31  -8.563   0.321   5.511
  210   2HG   LYS  31          3HG       LYS  31 -10.174   0.267   4.868
  211   1HD   LYS  31          2HD       LYS  31 -10.697  -1.513   6.618
  212   2HD   LYS  31          3HD       LYS  31  -9.010  -1.347   7.166
  213   1HE   LYS  31          2HE       LYS  31  -9.943   1.318   7.136
  214   2HE   LYS  31          3HE       LYS  31 -11.358   0.425   7.696
  215   1HZ   LYS  31          3HNZ      LYS  31  -9.889  -0.517   9.427
  216   2HZ   LYS  31          1HNZ      LYS  31  -8.635   0.370   8.832
  217   3HZ   LYS  31          2HNZ      LYS  31  -9.919   1.138   9.487
  218    H    ASP  32           HN       ASP  32  -7.877   1.476   3.779
  219    HA   ASP  32           HA       ASP  32 -10.194   2.445   2.329
  220   1HB   ASP  32          2HB       ASP  32  -7.885   3.931   3.660
  221   2HB   ASP  32          3HB       ASP  32  -9.378   4.652   3.063
  222    H    ILE  33           HN       ILE  33  -6.803   1.763   1.546
  223    HA   ILE  33           HA       ILE  33  -6.249   3.657  -0.362
  224    HB   ILE  33           HB       ILE  33  -5.637   0.748  -0.166
  225   1HG1  ILE  33          2HG1      ILE  33  -4.266   3.292   0.671
  226   2HG1  ILE  33          3HG1      ILE  33  -4.790   2.025   1.705
  227   1HG2  ILE  33          1HG2      ILE  33  -5.262   1.526  -2.465
  228   2HG2  ILE  33          2HG2      ILE  33  -4.116   2.727  -1.794
  229   3HG2  ILE  33          3HG2      ILE  33  -3.829   0.972  -1.608
  230   1HD1  ILE  33          3HD1      ILE  33  -3.100   0.480   0.492
  231   2HD1  ILE  33          1HD1      ILE  33  -2.392   2.000  -0.134
  232   3HD1  ILE  33          2HD1      ILE  33  -2.487   1.696   1.609
  233    HA   PRO  34           HA       PRO  34  -9.548   2.566  -3.271
  234   1HB   PRO  34          2HB       PRO  34  -8.175   3.618  -5.572
  235   2HB   PRO  34          3HB       PRO  34  -9.452   4.380  -4.603
  236   1HG   PRO  34          2HG       PRO  34  -6.623   5.075  -4.703
  237   2HG   PRO  34          3HG       PRO  34  -7.897   5.826  -3.705
  238   1HD   PRO  34          2HD       PRO  34  -5.833   3.870  -2.891
  239   2HD   PRO  34          3HD       PRO  34  -6.865   4.891  -1.876
  240    H    ASP  35           HN       ASP  35  -9.836   0.646  -4.483
  241    HA   ASP  35           HA       ASP  35  -7.517  -1.044  -4.757
  242   1HB   ASP  35          2HB       ASP  35 -10.468  -1.299  -4.820
  243   2HB   ASP  35          3HB       ASP  35  -9.628  -2.301  -5.975
  244    H    ASP  36           HN       ASP  36  -8.619   1.421  -6.670
  245    HA   ASP  36           HA       ASP  36  -7.658   0.560  -9.236
  246   1HB   ASP  36          2HB       ASP  36  -8.868   2.853  -8.136
  247   2HB   ASP  36          3HB       ASP  36  -7.344   3.324  -8.910
  248    H    TRP  37           HN       TRP  37  -6.150   1.491  -6.247
  249    HA   TRP  37           HA       TRP  37  -3.771   2.668  -7.381
  250   1HB   TRP  37          2HB       TRP  37  -4.560   3.263  -5.134
  251   2HB   TRP  37          3HB       TRP  37  -4.393   1.585  -4.638
  252    HD1  TRP  37           HD       TRP  37  -2.111   4.580  -5.424
  253    HE1  TRP  37           HNE      TRP  37   0.078   4.214  -4.143
  254    HE3  TRP  37           HE       TRP  37  -2.859  -0.217  -3.983
  255    HZ2  TRP  37           HZ1      TRP  37   1.313   2.110  -2.562
  256    HZ3  TRP  37           HZ2      TRP  37  -1.147  -1.424  -2.585
  257    HH2  TRP  37           HH       TRP  37   0.905  -0.247  -1.853
  258    H    VAL  38           HN       VAL  38  -1.720   1.830  -7.395
  259    HA   VAL  38           HA       VAL  38  -1.397  -1.117  -7.396
  260    HB   VAL  38           HB       VAL  38   0.258  -0.615  -9.278
  261   1HG1  VAL  38          2HG1      VAL  38  -2.711  -0.146  -9.810
  262   2HG1  VAL  38          3HG1      VAL  38  -1.504  -0.588 -11.034
  263   3HG1  VAL  38          1HG1      VAL  38  -1.888  -1.715  -9.726
  264   1HG2  VAL  38          3HG2      VAL  38   0.351   1.873  -8.966
  265   2HG2  VAL  38          1HG2      VAL  38  -0.022   1.370 -10.622
  266   3HG2  VAL  38          2HG2      VAL  38  -1.315   1.978  -9.582
  267    H    CYS  39           HN       CYN  39   0.740  -1.837  -6.923
  268    HA   CYS  39           HA       CYN  39   2.006  -1.047  -4.734
  269   1HB   CYS  39          2HB       CYN  39   2.964  -2.314  -7.273
  270   2HB   CYS  39          3HB       CYN  39   4.150  -1.899  -6.029
  271    HA   PRO  40           HA       PRO  40   3.866   2.833  -5.365
  272   1HB   PRO  40          2HB       PRO  40   5.769   2.951  -3.410
  273   2HB   PRO  40          3HB       PRO  40   4.018   2.839  -3.083
  274   1HG   PRO  40          2HG       PRO  40   5.981   0.537  -3.145
  275   2HG   PRO  40          3HG       PRO  40   4.835   0.973  -1.835
  276   1HD   PRO  40          2HD       PRO  40   4.200  -0.886  -3.713
  277   2HD   PRO  40          3HD       PRO  40   2.981   0.272  -3.109
  278    H    LEU  41           HN       LEU  41   6.122   0.030  -5.457
  279    HA   LEU  41           HA       LEU  41   7.526   1.370  -7.657
  280   1HB   LEU  41          2HB       LEU  41   8.583   2.063  -5.410
  281   2HB   LEU  41          3HB       LEU  41   9.083   0.382  -5.236
  282    HG   LEU  41           HG       LEU  41  10.488   0.616  -7.297
  283   1HD1  LEU  41          3HD1      LEU  41   9.429   3.478  -7.300
  284   2HD1  LEU  41          1HD1      LEU  41  10.862   2.939  -8.201
  285   3HD1  LEU  41          2HD1      LEU  41   9.280   2.278  -8.606
  286   1HD2  LEU  41          1HD2      LEU  41  11.422   1.123  -5.078
  287   2HD2  LEU  41          2HD2      LEU  41  12.148   2.140  -6.334
  288   3HD2  LEU  41          3HD2      LEU  41  10.919   2.821  -5.246
  289    H    CYS  42           HN       CYN  42   5.764  -0.826  -7.533
  290    HA   CYS  42           HA       CYN  42   7.567  -2.999  -8.518
  291   1HB   CYS  42          2HB       CYN  42   5.003  -3.765  -7.240
  292   2HB   CYS  42          3HB       CYN  42   6.526  -4.627  -7.373
  293    H    GLY  43           HN       GLY  43   4.232  -1.661  -8.602
  294   1HA   GLY  43          2HA       GLY  43   2.966  -1.171 -10.470
  295   2HA   GLY  43          3HA       GLY  43   4.162  -1.937 -11.518
  296    H    VAL  44           HN       VAL  44   1.866  -2.885  -8.875
  297    HA   VAL  44           HA       VAL  44   0.418  -4.655 -10.634
  298    HB   VAL  44           HB       VAL  44   2.214  -6.155  -9.906
  299   1HG1  VAL  44          3HG1      VAL  44   2.904  -5.068  -7.814
  300   2HG1  VAL  44          1HG1      VAL  44   1.368  -5.536  -7.047
  301   3HG1  VAL  44          2HG1      VAL  44   2.534  -6.773  -7.544
  302   1HG2  VAL  44          3HG2      VAL  44  -0.109  -7.059 -10.139
  303   2HG2  VAL  44          1HG2      VAL  44   0.923  -7.971  -9.021
  304   3HG2  VAL  44          2HG2      VAL  44  -0.312  -6.885  -8.377
  305    H    GLY  45           HN       GLY  45  -1.638  -5.316  -9.454
  306   1HA   GLY  45          2HA       GLY  45  -2.730  -3.060  -7.996
  307   2HA   GLY  45          3HA       GLY  45  -3.520  -4.605  -8.339
  308    H    LYS  46           HN       LYS  46  -3.881  -3.381  -5.901
  309    HA   LYS  46           HA       LYS  46  -2.248  -4.044  -3.726
  310   1HB   LYS  46          2HB       LYS  46  -5.277  -4.098  -3.956
  311   2HB   LYS  46          3HB       LYS  46  -4.367  -4.156  -2.431
  312   1HG   LYS  46          2HG       LYS  46  -3.504  -1.947  -2.772
  313   2HG   LYS  46          3HG       LYS  46  -4.212  -1.892  -4.416
  314   1HD   LYS  46          2HD       LYS  46  -5.749  -0.676  -3.145
  315   2HD   LYS  46          3HD       LYS  46  -6.455  -2.285  -3.337
  316   1HE   LYS  46          2HE       LYS  46  -5.667  -2.883  -1.033
  317   2HE   LYS  46          3HE       LYS  46  -5.071  -1.245  -0.853
  318   1HZ   LYS  46          2HNZ      LYS  46  -7.906  -1.923  -1.431
  319   2HZ   LYS  46          3HNZ      LYS  46  -7.295  -1.481   0.083
  320   3HZ   LYS  46          1HNZ      LYS  46  -7.353  -0.430  -1.155
  321    H    ASP  47           HN       ASP  47  -4.896  -6.021  -5.050
  322    HA   ASP  47           HA       ASP  47  -5.705  -8.000  -4.232
  323   1HB   ASP  47          2HB       ASP  47  -4.953  -8.305  -6.498
  324   2HB   ASP  47          3HB       ASP  47  -3.335  -8.772  -5.937
  325    H    GLN  48           HN       GLN  48  -5.546  -8.033  -2.057
  326    HA   GLN  48           HA       GLN  48  -5.231  -9.024  -0.104
  327   1HB   GLN  48          2HB       GLN  48  -4.874 -11.056  -1.645
  328   2HB   GLN  48          3HB       GLN  48  -3.164 -10.946  -1.232
  329   1HG   GLN  48          2HG       GLN  48  -5.391 -11.128   0.854
  330   2HG   GLN  48          3HG       GLN  48  -4.700 -12.555   0.090
  331   1HE2  GLN  48          2HNE      GLN  48  -1.517 -12.312   1.764
  332   2HE2  GLN  48          1HNE      GLN  48  -2.252 -12.821   0.256
  333    H    PHE  49           HN       PHE  49  -3.701  -9.048   1.783
  334    HA   PHE  49           HA       PHE  49  -1.268  -7.547   1.626
  335   1HB   PHE  49          2HB       PHE  49  -2.290  -5.354   2.443
  336   2HB   PHE  49          3HB       PHE  49  -2.384  -5.751   0.762
  337    HD1  PHE  49           HD2      PHE  49  -4.461  -5.571   3.851
  338    HD2  PHE  49           HD1      PHE  49  -4.469  -6.009  -0.430
  339    HE1  PHE  49           HE2      PHE  49  -6.833  -4.902   3.800
  340    HE2  PHE  49           HE1      PHE  49  -6.873  -5.409  -0.478
  341    HZ   PHE  49           HZ       PHE  49  -8.053  -4.813   1.631
  342    H    GLU  50           HN       GLU  50  -0.341  -8.441   3.372
  343    HA   GLU  50           HA       GLU  50  -1.995  -9.400   5.622
  344   1HB   GLU  50          2HB       GLU  50   0.974  -9.579   4.987
  345   2HB   GLU  50          3HB       GLU  50   0.212 -10.309   6.373
  346   1HG   GLU  50          2HG       GLU  50  -1.204 -11.717   4.903
  347   2HG   GLU  50          3HG       GLU  50  -0.559 -10.910   3.464
  348    H    GLU  51           HN       GLU  51  -1.917  -8.397   7.714
  349    HA   GLU  51           HA       GLU  51  -0.962  -5.653   7.735
  350   1HB   GLU  51          2HB       GLU  51  -3.157  -6.239   8.648
  351   2HB   GLU  51          3HB       GLU  51  -2.443  -7.463   9.716
  352   1HG   GLU  51          2HG       GLU  51  -1.305  -5.909  10.964
  353   2HG   GLU  51          3HG       GLU  51  -1.626  -4.553   9.851
  354    H    VAL  52           HN       VAL  52   0.831  -4.905   8.900
  355    HA   VAL  52           HA       VAL  52   2.699  -6.907   9.986
  356    HB   VAL  52           HB       VAL  52   2.910  -4.150   8.701
  357   1HG1  VAL  52          1HG1      VAL  52   5.046  -5.593  10.322
  358   2HG1  VAL  52          2HG1      VAL  52   5.316  -4.172   9.277
  359   3HG1  VAL  52          3HG1      VAL  52   4.281  -4.035  10.704
  360   1HG2  VAL  52          1HG2      VAL  52   2.942  -6.126   7.244
  361   2HG2  VAL  52          2HG2      VAL  52   4.457  -5.208   7.232
  362   3HG2  VAL  52          3HG2      VAL  52   4.357  -6.744   8.127
  363    H    GLU  53           HN       GLU  53   2.274  -7.162  12.083
  364    HA   GLU  53           HA       GLU  53   0.767  -5.374  13.643
  365   1HB   GLU  53          2HB       GLU  53   1.112  -7.036  15.361
  366   2HB   GLU  53          3HB       GLU  53   0.512  -7.710  13.845
  367   1HG   GLU  53          2HG       GLU  53   2.871  -8.525  13.356
  368   2HG   GLU  53          3HG       GLU  53   3.361  -7.920  14.936
  369    H    GLU  54           HN       GLU  54   2.456  -3.696  13.083
  370    HA   GLU  54           HA       GLU  54   4.188  -3.164  15.444
  371   1HB   GLU  54          2HB       GLU  54   3.317  -1.170  13.340
  372   2HB   GLU  54          3HB       GLU  54   4.601  -1.014  14.538
  373   1HG   GLU  54          2HG       GLU  54   5.249  -3.364  13.023
  374   2HG   GLU  54          3HG       GLU  54   4.698  -2.152  11.860
   
  No H/Q in entry =         374
  Start of MODEL    4
    1   1H    MET   1          1HN       MET   1  -5.693  -0.373   9.404
    2   2H    MET   1          2HN       MET   1  -6.503   1.082   9.369
    3   3H    MET   1          3HN       MET   1  -5.300   0.738   8.322
    4    HA   MET   1           HA       MET   1  -4.968   1.140  11.222
    5   1HB   MET   1          2HB       MET   1  -2.875   2.477  10.159
    6   2HB   MET   1          3HB       MET   1  -3.888   2.481   8.743
    7   1HG   MET   1          2HG       MET   1  -5.637   3.612  10.242
    8   2HG   MET   1          3HG       MET   1  -4.425   3.578  11.528
    9   1HE   MET   1          2HE       MET   1  -5.411   6.327  11.330
   10   2HE   MET   1          3HE       MET   1  -3.861   5.970  12.142
   11   3HE   MET   1          1HE       MET   1  -3.967   7.311  10.984
   12    H    LYS   2           HN       LYS   2  -2.299   1.016  11.349
   13    HA   LYS   2           HA       LYS   2  -0.475  -0.243  11.480
   14   1HB   LYS   2          2HB       LYS   2  -2.121  -2.659  10.711
   15   2HB   LYS   2          3HB       LYS   2  -0.600  -2.592  11.613
   16   1HG   LYS   2          2HG       LYS   2  -1.877  -1.209  13.381
   17   2HG   LYS   2          3HG       LYS   2  -3.368  -1.703  12.509
   18   1HD   LYS   2          2HD       LYS   2  -2.429  -4.057  12.556
   19   2HD   LYS   2          3HD       LYS   2  -1.244  -3.494  13.732
   20   1HE   LYS   2          2HE       LYS   2  -4.312  -3.445  13.967
   21   2HE   LYS   2          3HE       LYS   2  -3.258  -4.631  14.745
   22   1HZ   LYS   2          3HNZ      LYS   2  -3.239  -1.732  15.291
   23   2HZ   LYS   2          1HNZ      LYS   2  -3.893  -2.887  16.266
   24   3HZ   LYS   2          2HNZ      LYS   2  -2.266  -2.848  16.013
   25    H    LYS   3           HN       LYS   3   1.054  -1.682  10.264
   26    HA   LYS   3           HA       LYS   3   1.150  -0.643   7.525
   27   1HB   LYS   3          2HB       LYS   3   3.132  -2.254   9.166
   28   2HB   LYS   3          3HB       LYS   3   3.440  -1.468   7.616
   29   1HG   LYS   3          2HG       LYS   3   2.930   0.734   8.586
   30   2HG   LYS   3          3HG       LYS   3   2.524  -0.007  10.124
   31   1HD   LYS   3          2HD       LYS   3   4.823  -1.010  10.237
   32   2HD   LYS   3          3HD       LYS   3   5.300   0.075   8.913
   33   1HE   LYS   3          2HE       LYS   3   4.820   2.039  10.282
   34   2HE   LYS   3          3HE       LYS   3   3.926   1.075  11.468
   35   1HZ   LYS   3          3HNZ      LYS   3   6.812   0.757  11.080
   36   2HZ   LYS   3          1HNZ      LYS   3   6.074   1.644  12.273
   37   3HZ   LYS   3          2HNZ      LYS   3   5.823   0.051  12.202
   38    H    TYR   4           HN       TYR   4   1.882  -2.139   5.849
   39    HA   TYR   4           HA       TYR   4   0.844  -4.902   6.129
   40   1HB   TYR   4          2HB       TYR   4  -0.276  -2.805   4.264
   41   2HB   TYR   4          3HB       TYR   4  -0.295  -4.483   3.784
   42    HD1  TYR   4           HD1      TYR   4  -1.590  -2.183   6.455
   43    HD2  TYR   4           HD2      TYR   4  -1.928  -5.959   4.449
   44    HE1  TYR   4           HE1      TYR   4  -3.363  -2.864   8.047
   45    HE2  TYR   4           HE2      TYR   4  -3.841  -6.576   5.933
   46    HH   TYR   4           HOH      TYR   4  -4.411  -5.026   8.903
   47    H    THR   5           HN       THR   5   1.948  -6.382   4.941
   48    HA   THR   5           HA       THR   5   4.052  -5.316   3.095
   49    HB   THR   5           HB       THR   5   4.750  -6.849   4.862
   50    HG1  THR   5           HG1      THR   5   6.154  -7.789   3.500
   51   1HG2  THR   5          2HG2      THR   5   2.820  -8.396   4.907
   52   2HG2  THR   5          3HG2      THR   5   3.265  -9.003   3.293
   53   3HG2  THR   5          1HG2      THR   5   4.352  -9.248   4.668
   54    H    CYS   6           HN       CYN   6   4.093  -5.622   0.966
   55    HA   CYS   6           HA       CYN   6   1.691  -6.432  -0.497
   56   1HB   CYS   6          2HB       CYN   6   2.883  -4.406  -1.021
   57   2HB   CYS   6          3HB       CYN   6   4.386  -5.277  -1.263
   58    H    THR   7           HN       THR   7   2.482  -8.619   0.890
   59    HA   THR   7           HA       THR   7   3.400 -10.710   0.818
   60    HB   THR   7           HB       THR   7   2.110 -10.560  -1.945
   61    HG1  THR   7           HG1      THR   7   0.692  -9.691  -0.605
   62   1HG2  THR   7          1HG2      THR   7   2.569 -12.809   0.074
   63   2HG2  THR   7          2HG2      THR   7   1.226 -12.858  -1.072
   64   3HG2  THR   7          3HG2      THR   7   2.870 -12.825  -1.681
   65    H    VAL   8           HN       VAL   8   4.045 -11.383  -2.457
   66    HA   VAL   8           HA       VAL   8   6.934 -11.420  -1.864
   67    HB   VAL   8           HB       VAL   8   5.384 -12.538  -4.227
   68   1HG1  VAL   8          1HG1      VAL   8   8.268 -12.984  -3.305
   69   2HG1  VAL   8          2HG1      VAL   8   7.450 -13.877  -4.601
   70   3HG1  VAL   8          3HG1      VAL   8   7.789 -12.161  -4.800
   71   1HG2  VAL   8          2HG2      VAL   8   4.822 -13.697  -2.081
   72   2HG2  VAL   8          3HG2      VAL   8   5.780 -14.726  -3.139
   73   3HG2  VAL   8          1HG2      VAL   8   6.545 -13.916  -1.757
   74    H    CYS   9           HN       CYN   9   6.704  -9.017  -1.749
   75    HA   CYS   9           HA       CYN   9   7.553  -7.840  -4.386
   76   1HB   CYS   9          2HB       CYN   9   5.304  -7.118  -3.905
   77   2HB   CYS   9          3HB       CYN   9   5.772  -6.649  -2.264
   78    H    GLY  10           HN       GLY  10   7.358  -6.784  -0.982
   79   1HA   GLY  10          2HA       GLY  10   9.175  -6.687   0.577
   80   2HA   GLY  10          3HA       GLY  10  10.341  -6.757  -0.748
   81    H    TYR  11           HN       TYR  11   7.540  -4.740   0.224
   82    HA   TYR  11           HA       TYR  11   9.201  -2.281  -0.108
   83   1HB   TYR  11          2HB       TYR  11   7.521  -2.922  -2.024
   84   2HB   TYR  11          3HB       TYR  11   6.288  -2.312  -0.939
   85    HD1  TYR  11           HD2      TYR  11   6.864   0.133   0.113
   86    HD2  TYR  11           HD1      TYR  11   8.523  -1.489  -3.529
   87    HE1  TYR  11           HE2      TYR  11   7.555   2.403  -0.594
   88    HE2  TYR  11           HE1      TYR  11   9.178   0.775  -4.235
   89    HH   TYR  11           HOH      TYR  11   9.239   3.002  -3.694
   90    H    ILE  12           HN       ILE  12   6.015  -3.378   1.002
   91    HA   ILE  12           HA       ILE  12   4.872  -3.211   2.863
   92    HB   ILE  12           HB       ILE  12   7.400  -2.228   4.188
   93   1HG1  ILE  12          2HG1      ILE  12   5.575  -4.610   4.680
   94   2HG1  ILE  12          3HG1      ILE  12   6.921  -4.666   3.536
   95   1HG2  ILE  12          2HG2      ILE  12   4.629  -2.388   5.442
   96   2HG2  ILE  12          3HG2      ILE  12   6.147  -2.233   6.343
   97   3HG2  ILE  12          1HG2      ILE  12   5.635  -0.931   5.295
   98   1HD1  ILE  12          3HD1      ILE  12   8.502  -4.150   5.376
   99   2HD1  ILE  12          1HD1      ILE  12   7.154  -4.214   6.538
  100   3HD1  ILE  12          2HD1      ILE  12   7.599  -5.658   5.621
  101    H    TYR  13           HN       TYR  13   3.192  -2.012   2.962
  102    HA   TYR  13           HA       TYR  13   3.244   0.860   2.270
  103   1HB   TYR  13          2HB       TYR  13   1.496  -0.593   1.334
  104   2HB   TYR  13          3HB       TYR  13   1.036  -1.104   2.964
  105    HD1  TYR  13           HD1      TYR  13  -0.206   0.409   4.468
  106    HD2  TYR  13           HD2      TYR  13   0.612   1.447   0.408
  107    HE1  TYR  13           HE1      TYR  13  -1.697   2.376   4.637
  108    HE2  TYR  13           HE2      TYR  13  -0.362   3.727   0.785
  109    HH   TYR  13           HOH      TYR  13  -2.378   4.425   3.688
  110    H    ASN  14           HN       ASN  14   3.181   2.401   3.854
  111    HA   ASN  14           HA       ASN  14   2.551   1.622   6.668
  112   1HB   ASN  14          2HB       ASN  14   4.975   2.224   6.353
  113   2HB   ASN  14          3HB       ASN  14   4.472   3.793   5.735
  114   1HD2  ASN  14          2HND      ASN  14   5.207   4.298   9.300
  115   2HD2  ASN  14          1HND      ASN  14   5.851   4.469   7.683
  116    HA   PRO  15           HA       PRO  15  -0.691   4.409   5.437
  117   1HB   PRO  15          2HB       PRO  15  -2.198   4.378   7.773
  118   2HB   PRO  15          3HB       PRO  15  -2.319   3.127   6.534
  119   1HG   PRO  15          2HG       PRO  15  -0.840   3.031   9.133
  120   2HG   PRO  15          3HG       PRO  15  -1.646   1.716   8.219
  121   1HD   PRO  15          2HD       PRO  15   1.055   2.156   8.334
  122   2HD   PRO  15          3HD       PRO  15   0.297   1.242   7.034
  123    H    GLU  16           HN       GLU  16   1.036   4.712   8.549
  124    HA   GLU  16           HA       GLU  16   0.164   7.340   9.123
  125   1HB   GLU  16          2HB       GLU  16   2.761   5.906   9.791
  126   2HB   GLU  16          3HB       GLU  16   2.185   7.414  10.490
  127   1HG   GLU  16          2HG       GLU  16   0.004   6.061  11.078
  128   2HG   GLU  16          3HG       GLU  16   0.987   4.620  10.764
  129    H    ASP  17           HN       ASP  17   2.505   6.082   6.863
  130    HA   ASP  17           HA       ASP  17   3.616   8.788   6.224
  131   1HB   ASP  17          2HB       ASP  17   4.293   5.972   5.346
  132   2HB   ASP  17          3HB       ASP  17   5.020   7.411   4.629
  133    H    GLY  18           HN       GLY  18   1.404   6.272   5.035
  134   1HA   GLY  18          2HA       GLY  18   0.080   6.140   3.263
  135   2HA   GLY  18          3HA       GLY  18   0.278   7.878   2.950
  136    H    ASP  19           HN       ASP  19   0.402   7.393   0.709
  137    HA   ASP  19           HA       ASP  19   3.140   6.959  -0.227
  138   1HB   ASP  19          2HB       ASP  19   0.906   5.041  -0.777
  139   2HB   ASP  19          3HB       ASP  19   1.749   5.582  -2.212
  140    HA   PRO  20           HA       PRO  20   0.299  10.417  -1.609
  141   1HB   PRO  20          2HB       PRO  20   2.025  12.546  -1.179
  142   2HB   PRO  20          3HB       PRO  20   0.849  11.906   0.011
  143   1HG   PRO  20          2HG       PRO  20   3.804  11.315  -0.211
  144   2HG   PRO  20          3HG       PRO  20   2.850  11.627   1.269
  145   1HD   PRO  20          2HD       PRO  20   3.523   9.112   0.509
  146   2HD   PRO  20          3HD       PRO  20   1.926   9.446   1.229
  147    H    ASP  21           HN       ASP  21   3.792   9.876  -2.316
  148    HA   ASP  21           HA       ASP  21   4.067  11.290  -4.658
  149   1HB   ASP  21          2HB       ASP  21   5.191   8.580  -3.778
  150   2HB   ASP  21          3HB       ASP  21   5.859   9.595  -5.059
  151    H    ASN  22           HN       ASN  22   2.402   8.301  -3.991
  152    HA   ASN  22           HA       ASN  22   2.030   7.592  -6.848
  153   1HB   ASN  22          2HB       ASN  22   1.290   6.091  -4.327
  154   2HB   ASN  22          3HB       ASN  22   1.314   5.430  -5.960
  155   1HD2  ASN  22          2HND      ASN  22   4.697   5.621  -3.665
  156   2HD2  ASN  22          1HND      ASN  22   3.290   6.528  -3.222
  157    H    GLY  23           HN       GLY  23   0.405   8.793  -4.053
  158   1HA   GLY  23          2HA       GLY  23  -1.388  10.343  -4.827
  159   2HA   GLY  23          3HA       GLY  23  -2.194   8.949  -5.553
  160    H    VAL  24           HN       VAL  24  -0.699   8.158  -2.530
  161    HA   VAL  24           HA       VAL  24  -3.397   8.093  -1.220
  162    HB   VAL  24           HB       VAL  24  -0.928   6.377  -1.049
  163   1HG1  VAL  24          1HG1      VAL  24  -3.440   6.330   0.645
  164   2HG1  VAL  24          2HG1      VAL  24  -2.321   4.962   0.494
  165   3HG1  VAL  24          3HG1      VAL  24  -1.751   6.481   1.206
  166   1HG2  VAL  24          3HG2      VAL  24  -2.518   6.017  -2.974
  167   2HG2  VAL  24          1HG2      VAL  24  -2.411   4.625  -1.876
  168   3HG2  VAL  24          2HG2      VAL  24  -3.812   5.717  -1.805
  169    H    ASN  25           HN       ASN  25  -3.637   9.676   0.223
  170    HA   ASN  25           HA       ASN  25  -1.457  11.252   1.195
  171   1HB   ASN  25          2HB       ASN  25  -4.419  11.035   1.836
  172   2HB   ASN  25          3HB       ASN  25  -3.373  11.987   2.877
  173   1HD2  ASN  25          2HND      ASN  25  -3.860  13.293  -1.010
  174   2HD2  ASN  25          1HND      ASN  25  -4.027  11.585  -0.684
  175    HA   PRO  26           HA       PRO  26  -0.259   8.977   4.846
  176   1HB   PRO  26          2HB       PRO  26   0.143  11.004   6.705
  177   2HB   PRO  26          3HB       PRO  26   1.310  10.469   5.479
  178   1HG   PRO  26          2HG       PRO  26  -0.536  12.841   5.390
  179   2HG   PRO  26          3HG       PRO  26   1.154  12.689   4.797
  180   1HD   PRO  26          2HD       PRO  26  -1.054  12.586   3.150
  181   2HD   PRO  26          3HD       PRO  26   0.458  11.698   2.796
  182    H    GLY  27           HN       GLY  27  -1.116   8.214   6.697
  183   1HA   GLY  27          2HA       GLY  27  -2.695   7.679   8.246
  184   2HA   GLY  27          3HA       GLY  27  -3.496   9.241   8.001
  185    H    THR  28           HN       THR  28  -2.970   7.218   5.041
  186    HA   THR  28           HA       THR  28  -5.891   6.842   5.012
  187    HB   THR  28           HB       THR  28  -3.725   6.316   2.946
  188    HG1  THR  28           HG1      THR  28  -4.049   8.487   3.132
  189   1HG2  THR  28          2HG2      THR  28  -6.772   6.122   2.869
  190   2HG2  THR  28          3HG2      THR  28  -5.726   6.125   1.425
  191   3HG2  THR  28          1HG2      THR  28  -5.577   4.827   2.624
  192    H    ASP  29           HN       ASP  29  -6.628   5.088   5.889
  193    HA   ASP  29           HA       ASP  29  -5.188   2.771   6.682
  194   1HB   ASP  29          2HB       ASP  29  -7.548   3.564   7.343
  195   2HB   ASP  29          3HB       ASP  29  -8.093   2.899   5.820
  196    H    PHE  30           HN       PHE  30  -4.586   1.023   5.560
  197    HA   PHE  30           HA       PHE  30  -4.395   0.770   2.802
  198   1HB   PHE  30          2HB       PHE  30  -3.481  -0.665   4.798
  199   2HB   PHE  30          3HB       PHE  30  -4.939  -1.629   4.579
  200    HD1  PHE  30           HD1      PHE  30  -5.379  -2.440   2.047
  201    HD2  PHE  30           HD2      PHE  30  -1.583  -1.140   3.594
  202    HE1  PHE  30           HE1      PHE  30  -4.255  -3.287   0.035
  203    HE2  PHE  30           HE2      PHE  30  -0.456  -2.083   1.577
  204    HZ   PHE  30           HZ       PHE  30  -1.802  -3.045  -0.222
  205    H    LYS  31           HN       LYS  31  -7.289   0.115   4.907
  206    HA   LYS  31           HA       LYS  31  -8.551  -1.441   2.795
  207   1HB   LYS  31          2HB       LYS  31 -10.477  -1.476   4.131
  208   2HB   LYS  31          3HB       LYS  31  -9.065  -1.665   5.194
  209   1HG   LYS  31          2HG       LYS  31  -9.181   0.894   5.498
  210   2HG   LYS  31          3HG       LYS  31 -10.714   0.810   4.666
  211   1HD   LYS  31          2HD       LYS  31 -11.531  -0.783   6.421
  212   2HD   LYS  31          3HD       LYS  31  -9.937  -0.685   7.191
  213   1HE   LYS  31          2HE       LYS  31 -11.544   0.810   8.368
  214   2HE   LYS  31          3HE       LYS  31 -10.211   1.716   7.648
  215   1HZ   LYS  31          3HNZ      LYS  31 -11.638   2.326   5.814
  216   2HZ   LYS  31          1HNZ      LYS  31 -12.903   1.527   6.472
  217   3HZ   LYS  31          2HNZ      LYS  31 -12.219   2.839   7.215
  218    H    ASP  32           HN       ASP  32  -8.342   1.940   3.694
  219    HA   ASP  32           HA       ASP  32 -10.572   2.822   2.019
  220   1HB   ASP  32          2HB       ASP  32  -8.606   4.230   3.880
  221   2HB   ASP  32          3HB       ASP  32  -9.872   5.060   3.002
  222    H    ILE  33           HN       ILE  33  -7.165   2.179   1.539
  223    HA   ILE  33           HA       ILE  33  -6.486   4.090  -0.297
  224    HB   ILE  33           HB       ILE  33  -5.934   1.163  -0.196
  225   1HG1  ILE  33          2HG1      ILE  33  -4.551   3.652   0.798
  226   2HG1  ILE  33          3HG1      ILE  33  -5.167   2.394   1.788
  227   1HG2  ILE  33          1HG2      ILE  33  -5.429   2.110  -2.430
  228   2HG2  ILE  33          2HG2      ILE  33  -4.287   3.202  -1.599
  229   3HG2  ILE  33          3HG2      ILE  33  -4.082   1.426  -1.515
  230   1HD1  ILE  33          3HD1      ILE  33  -3.484   0.800   0.607
  231   2HD1  ILE  33          1HD1      ILE  33  -2.694   2.303   0.050
  232   3HD1  ILE  33          2HD1      ILE  33  -2.872   1.963   1.776
  233    HA   PRO  34           HA       PRO  34  -9.598   3.237  -3.522
  234   1HB   PRO  34          2HB       PRO  34  -7.605   4.142  -5.511
  235   2HB   PRO  34          3HB       PRO  34  -9.176   4.878  -5.099
  236   1HG   PRO  34          2HG       PRO  34  -6.705   5.975  -4.443
  237   2HG   PRO  34          3HG       PRO  34  -8.210   6.264  -3.524
  238   1HD   PRO  34          2HD       PRO  34  -5.930   4.418  -2.814
  239   2HD   PRO  34          3HD       PRO  34  -7.019   5.367  -1.781
  240    H    ASP  35           HN       ASP  35  -9.978   1.341  -4.883
  241    HA   ASP  35           HA       ASP  35  -7.910  -0.649  -5.041
  242   1HB   ASP  35          2HB       ASP  35 -10.796  -0.304  -5.915
  243   2HB   ASP  35          3HB       ASP  35  -9.815  -1.626  -6.475
  244    H    ASP  36           HN       ASP  36  -8.637   2.116  -7.013
  245    HA   ASP  36           HA       ASP  36  -7.328   1.043  -9.385
  246   1HB   ASP  36          2HB       ASP  36  -7.513   3.453 -10.080
  247   2HB   ASP  36          3HB       ASP  36  -9.062   2.701  -9.670
  248    H    TRP  37           HN       TRP  37  -6.196   2.023  -6.296
  249    HA   TRP  37           HA       TRP  37  -3.783   3.365  -7.234
  250   1HB   TRP  37          2HB       TRP  37  -4.684   3.834  -5.024
  251   2HB   TRP  37          3HB       TRP  37  -4.545   2.129  -4.596
  252    HD1  TRP  37           HD       TRP  37  -2.167   5.070  -5.301
  253    HE1  TRP  37           HNE      TRP  37   0.011   4.619  -4.014
  254    HE3  TRP  37           HE       TRP  37  -3.149   0.366  -3.708
  255    HZ2  TRP  37           HZ1      TRP  37   1.181   2.472  -2.455
  256    HZ3  TRP  37           HZ2      TRP  37  -1.481  -0.907  -2.326
  257    HH2  TRP  37           HH       TRP  37   0.685   0.143  -1.726
  258    H    VAL  38           HN       VAL  38  -1.627   2.447  -6.905
  259    HA   VAL  38           HA       VAL  38  -1.474  -0.442  -7.578
  260    HB   VAL  38           HB       VAL  38  -0.005   1.819  -8.999
  261   1HG1  VAL  38          1HG1      VAL  38   1.013  -0.524  -9.061
  262   2HG1  VAL  38          2HG1      VAL  38  -0.495  -1.047  -9.850
  263   3HG1  VAL  38          3HG1      VAL  38   0.561   0.127 -10.643
  264   1HG2  VAL  38          2HG2      VAL  38  -2.562   0.358  -9.811
  265   2HG2  VAL  38          3HG2      VAL  38  -2.351   2.110  -9.592
  266   3HG2  VAL  38          1HG2      VAL  38  -1.556   1.291 -10.937
  267    H    CYS  39           HN       CYN  39   0.467  -1.433  -6.868
  268    HA   CYS  39           HA       CYN  39   1.724  -0.249  -4.583
  269   1HB   CYS  39          2HB       CYN  39   1.362  -2.583  -4.617
  270   2HB   CYS  39          3HB       CYN  39   2.158  -2.769  -6.183
  271    HA   PRO  40           HA       PRO  40   4.920   1.882  -6.909
  272   1HB   PRO  40          2HB       PRO  40   6.794   2.326  -4.945
  273   2HB   PRO  40          3HB       PRO  40   5.250   3.209  -5.056
  274   1HG   PRO  40          2HG       PRO  40   5.845   0.784  -3.348
  275   2HG   PRO  40          3HG       PRO  40   5.086   2.325  -2.835
  276   1HD   PRO  40          2HD       PRO  40   3.632   0.137  -3.445
  277   2HD   PRO  40          3HD       PRO  40   3.065   1.754  -3.960
  278    H    LEU  41           HN       LEU  41   6.336   0.976  -8.287
  279    HA   LEU  41           HA       LEU  41   7.963  -0.296  -9.215
  280   1HB   LEU  41          2HB       LEU  41   9.075  -0.689  -6.410
  281   2HB   LEU  41          3HB       LEU  41   9.933  -0.824  -7.943
  282    HG   LEU  41           HG       LEU  41   8.848   1.719  -6.669
  283   1HD1  LEU  41          2HD1      LEU  41  10.962   0.763  -5.726
  284   2HD1  LEU  41          3HD1      LEU  41  11.684   0.818  -7.341
  285   3HD1  LEU  41          1HD1      LEU  41  11.219   2.325  -6.524
  286   1HD2  LEU  41          1HD2      LEU  41  10.216   1.315  -9.372
  287   2HD2  LEU  41          2HD2      LEU  41   8.579   1.955  -9.097
  288   3HD2  LEU  41          3HD2      LEU  41   9.986   2.889  -8.581
  289    H    CYS  42           HN       CYN  42   5.600  -1.667  -8.909
  290    HA   CYS  42           HA       CYN  42   6.509  -4.451  -8.605
  291   1HB   CYS  42          2HB       CYN  42   5.684  -3.524  -6.400
  292   2HB   CYS  42          3HB       CYN  42   4.107  -3.305  -7.183
  293    H    GLY  43           HN       GLY  43   4.302  -5.749  -9.097
  294   1HA   GLY  43          2HA       GLY  43   3.021  -4.603 -11.552
  295   2HA   GLY  43          3HA       GLY  43   3.328  -6.329 -11.283
  296    H    VAL  44           HN       VAL  44   0.784  -5.560 -11.802
  297    HA   VAL  44           HA       VAL  44  -1.302  -5.326 -11.140
  298    HB   VAL  44           HB       VAL  44  -0.737  -7.703 -10.634
  299   1HG1  VAL  44          1HG1      VAL  44  -0.835  -6.867  -7.711
  300   2HG1  VAL  44          2HG1      VAL  44  -1.079  -8.507  -8.309
  301   3HG1  VAL  44          3HG1      VAL  44   0.460  -7.695  -8.586
  302   1HG2  VAL  44          2HG2      VAL  44  -2.968  -6.958 -11.035
  303   2HG2  VAL  44          3HG2      VAL  44  -2.957  -8.199  -9.775
  304   3HG2  VAL  44          1HG2      VAL  44  -3.197  -6.497  -9.348
  305    H    GLY  45           HN       GLY  45  -2.205  -5.436  -8.013
  306   1HA   GLY  45          2HA       GLY  45  -1.241  -2.712  -7.367
  307   2HA   GLY  45          3HA       GLY  45  -2.951  -2.898  -7.806
  308    H    LYS  46           HN       LYS  46  -3.818  -2.479  -5.740
  309    HA   LYS  46           HA       LYS  46  -2.809  -4.017  -3.438
  310   1HB   LYS  46          2HB       LYS  46  -4.315  -2.935  -2.104
  311   2HB   LYS  46          3HB       LYS  46  -3.629  -1.713  -3.160
  312   1HG   LYS  46          2HG       LYS  46  -5.733  -1.837  -4.557
  313   2HG   LYS  46          3HG       LYS  46  -6.419  -2.943  -3.351
  314   1HD   LYS  46          2HD       LYS  46  -5.576  -0.101  -2.824
  315   2HD   LYS  46          3HD       LYS  46  -7.215  -0.698  -3.031
  316   1HE   LYS  46          2HE       LYS  46  -6.258  -2.396  -1.024
  317   2HE   LYS  46          3HE       LYS  46  -5.465  -0.882  -0.664
  318   1HZ   LYS  46          1HNZ      LYS  46  -7.809   0.115  -0.933
  319   2HZ   LYS  46          2HNZ      LYS  46  -8.367  -1.408  -0.857
  320   3HZ   LYS  46          3HNZ      LYS  46  -7.492  -0.755   0.421
  321    H    ASP  47           HN       ASP  47  -3.262  -6.135  -3.394
  322    HA   ASP  47           HA       ASP  47  -6.029  -7.072  -3.637
  323   1HB   ASP  47          2HB       ASP  47  -5.242  -8.855  -5.331
  324   2HB   ASP  47          3HB       ASP  47  -5.618  -7.230  -5.914
  325    H    GLN  48           HN       GLN  48  -2.746  -8.485  -3.765
  326    HA   GLN  48           HA       GLN  48  -3.405 -10.149  -1.394
  327   1HB   GLN  48          2HB       GLN  48  -2.521 -10.896  -3.746
  328   2HB   GLN  48          3HB       GLN  48  -0.952 -10.389  -3.157
  329   1HG   GLN  48          2HG       GLN  48  -0.740 -12.352  -2.089
  330   2HG   GLN  48          3HG       GLN  48  -2.145 -12.018  -1.081
  331   1HE2  GLN  48          2HNE      GLN  48  -4.392 -13.829  -3.356
  332   2HE2  GLN  48          1HNE      GLN  48  -4.353 -12.331  -2.440
  333    H    PHE  49           HN       PHE  49  -3.067  -8.815   0.435
  334    HA   PHE  49           HA       PHE  49  -0.287  -7.973   0.933
  335   1HB   PHE  49          2HB       PHE  49  -1.213  -5.812   1.912
  336   2HB   PHE  49          3HB       PHE  49  -1.183  -5.903   0.164
  337    HD1  PHE  49           HD2      PHE  49  -3.280  -6.379  -1.139
  338    HD2  PHE  49           HD1      PHE  49  -3.319  -5.222   2.977
  339    HE1  PHE  49           HE2      PHE  49  -5.743  -6.023  -1.246
  340    HE2  PHE  49           HE1      PHE  49  -5.766  -5.046   2.947
  341    HZ   PHE  49           HZ       PHE  49  -6.998  -5.414   0.809
  342    H    GLU  50           HN       GLU  50   0.344  -8.304   3.053
  343    HA   GLU  50           HA       GLU  50  -1.681  -9.477   4.941
  344   1HB   GLU  50          2HB       GLU  50   1.273 -10.058   4.451
  345   2HB   GLU  50          3HB       GLU  50   0.520 -10.357   6.012
  346   1HG   GLU  50          2HG       GLU  50  -1.250 -11.721   4.742
  347   2HG   GLU  50          3HG       GLU  50  -0.192 -11.606   3.326
  348    H    GLU  51           HN       GLU  51  -1.338  -8.898   7.285
  349    HA   GLU  51           HA       GLU  51  -0.753  -6.072   7.496
  350   1HB   GLU  51          2HB       GLU  51  -2.763  -7.037   8.482
  351   2HB   GLU  51          3HB       GLU  51  -1.806  -8.211   9.402
  352   1HG   GLU  51          2HG       GLU  51  -0.869  -6.642  10.741
  353   2HG   GLU  51          3HG       GLU  51  -1.313  -5.241   9.732
  354    H    VAL  52           HN       VAL  52   0.913  -5.179   8.727
  355    HA   VAL  52           HA       VAL  52   3.161  -6.924   9.578
  356    HB   VAL  52           HB       VAL  52   2.909  -4.175   8.308
  357   1HG1  VAL  52          1HG1      VAL  52   5.343  -5.365   9.664
  358   2HG1  VAL  52          2HG1      VAL  52   5.344  -3.918   8.622
  359   3HG1  VAL  52          3HG1      VAL  52   4.445  -3.897  10.146
  360   1HG2  VAL  52          2HG2      VAL  52   3.051  -6.184   6.853
  361   2HG2  VAL  52          3HG2      VAL  52   4.334  -4.965   6.661
  362   3HG2  VAL  52          1HG2      VAL  52   4.668  -6.492   7.525
  363    H    GLU  53           HN       GLU  53   2.846  -7.178  11.746
  364    HA   GLU  53           HA       GLU  53   1.464  -5.268  13.369
  365   1HB   GLU  53          2HB       GLU  53   1.835  -6.891  15.077
  366   2HB   GLU  53          3HB       GLU  53   1.085  -7.579  13.635
  367   1HG   GLU  53          2HG       GLU  53   3.349  -8.566  13.018
  368   2HG   GLU  53          3HG       GLU  53   3.985  -7.948  14.539
  369    H    GLU  54           HN       GLU  54   3.292  -3.747  12.548
  370    HA   GLU  54           HA       GLU  54   4.732  -2.934  14.921
  371   1HB   GLU  54          2HB       GLU  54   6.980  -2.793  13.826
  372   2HB   GLU  54          3HB       GLU  54   6.463  -4.443  14.187
  373   1HG   GLU  54          2HG       GLU  54   5.874  -4.850  11.877
  374   2HG   GLU  54          3HG       GLU  54   6.182  -3.148  11.450
   
  No H/Q in entry =         374
  Start of MODEL    5
    1   1H    MET   1          1HN       MET   1  -5.791  -0.727   9.422
    2   2H    MET   1          2HN       MET   1  -6.674   0.703   9.343
    3   3H    MET   1          3HN       MET   1  -5.548   0.370   8.259
    4    HA   MET   1           HA       MET   1  -5.139   0.933  11.137
    5   1HB   MET   1          2HB       MET   1  -3.256   2.472  10.146
    6   2HB   MET   1          3HB       MET   1  -4.065   2.204   8.607
    7   1HG   MET   1          2HG       MET   1  -6.143   3.039   9.704
    8   2HG   MET   1          3HG       MET   1  -5.233   3.410  11.158
    9   1HE   MET   1          3HE       MET   1  -3.545   5.370  11.444
   10   2HE   MET   1          1HE       MET   1  -2.506   4.745  10.143
   11   3HE   MET   1          2HE       MET   1  -3.024   6.440  10.130
   12    H    LYS   2           HN       LYS   2  -2.546   1.049  11.335
   13    HA   LYS   2           HA       LYS   2  -0.565   0.008  11.507
   14   1HB   LYS   2          2HB       LYS   2  -1.946  -2.570  10.811
   15   2HB   LYS   2          3HB       LYS   2  -0.461  -2.356  11.742
   16   1HG   LYS   2          2HG       LYS   2  -1.744  -1.268  13.575
   17   2HG   LYS   2          3HG       LYS   2  -3.258  -1.535  12.655
   18   1HD   LYS   2          2HD       LYS   2  -2.605  -3.905  12.366
   19   2HD   LYS   2          3HD       LYS   2  -1.303  -3.702  13.533
   20   1HE   LYS   2          2HE       LYS   2  -4.304  -3.284  14.001
   21   2HE   LYS   2          3HE       LYS   2  -3.433  -4.775  14.369
   22   1HZ   LYS   2          1HNZ      LYS   2  -2.848  -2.166  15.611
   23   2HZ   LYS   2          2HNZ      LYS   2  -3.661  -3.410  16.327
   24   3HZ   LYS   2          3HNZ      LYS   2  -2.073  -3.583  15.924
   25    H    LYS   3           HN       LYS   3   1.021  -1.521  10.353
   26    HA   LYS   3           HA       LYS   3   1.147  -0.568   7.589
   27   1HB   LYS   3          2HB       LYS   3   3.088  -2.115   9.342
   28   2HB   LYS   3          3HB       LYS   3   3.426  -1.447   7.741
   29   1HG   LYS   3          2HG       LYS   3   2.850   0.837   8.569
   30   2HG   LYS   3          3HG       LYS   3   2.497   0.199  10.151
   31   1HD   LYS   3          2HD       LYS   3   4.626   1.188  10.310
   32   2HD   LYS   3          3HD       LYS   3   4.784  -0.553  10.479
   33   1HE   LYS   3          2HE       LYS   3   5.163   0.000   7.687
   34   2HE   LYS   3          3HE       LYS   3   6.005   1.289   8.551
   35   1HZ   LYS   3          1HNZ      LYS   3   7.131  -0.427   9.851
   36   2HZ   LYS   3          2HNZ      LYS   3   6.422  -1.591   8.991
   37   3HZ   LYS   3          3HNZ      LYS   3   7.474  -0.559   8.245
   38    H    TYR   4           HN       TYR   4   1.910  -2.116   5.952
   39    HA   TYR   4           HA       TYR   4   0.852  -4.867   6.260
   40   1HB   TYR   4          2HB       TYR   4  -0.164  -2.805   4.308
   41   2HB   TYR   4          3HB       TYR   4  -0.298  -4.514   3.945
   42    HD1  TYR   4           HD2      TYR   4  -1.594  -1.827   6.138
   43    HD2  TYR   4           HD1      TYR   4  -1.872  -5.941   4.977
   44    HE1  TYR   4           HE2      TYR   4  -3.707  -2.036   7.386
   45    HE2  TYR   4           HE1      TYR   4  -3.805  -6.254   6.513
   46    HH   TYR   4           HOH      TYR   4  -5.210  -5.166   8.076
   47    H    THR   5           HN       THR   5   1.746  -6.383   4.735
   48    HA   THR   5           HA       THR   5   4.198  -5.599   3.374
   49    HB   THR   5           HB       THR   5   4.227  -7.954   2.698
   50    HG1  THR   5           HG1      THR   5   2.464  -9.129   2.746
   51   1HG2  THR   5          2HG2      THR   5   4.845  -7.388   5.087
   52   2HG2  THR   5          3HG2      THR   5   3.188  -7.828   5.563
   53   3HG2  THR   5          1HG2      THR   5   4.250  -9.044   4.846
   54    H    CYS   6           HN       CYN   6   4.555  -6.211   1.097
   55    HA   CYS   6           HA       CYN   6   2.416  -5.557  -0.825
   56   1HB   CYS   6          2HB       CYN   6   4.672  -4.775  -1.215
   57   2HB   CYS   6          3HB       CYN   6   5.302  -6.436  -1.092
   58    H    THR   7           HN       THR   7   4.544  -8.332   0.061
   59    HA   THR   7           HA       THR   7   4.441 -10.526  -0.332
   60    HB   THR   7           HB       THR   7   1.439 -10.085  -0.126
   61    HG1  THR   7           HG1      THR   7   2.443 -11.143   2.023
   62   1HG2  THR   7          2HG2      THR   7   3.048 -12.664   0.054
   63   2HG2  THR   7          3HG2      THR   7   1.422 -12.453   0.733
   64   3HG2  THR   7          1HG2      THR   7   1.652 -12.323  -0.999
   65    H    VAL   8           HN       VAL   8   4.391  -8.519  -2.626
   66    HA   VAL   8           HA       VAL   8   4.293 -10.691  -4.667
   67    HB   VAL   8           HB       VAL   8   3.667  -7.753  -5.151
   68   1HG1  VAL   8          3HG1      VAL   8   3.829 -10.105  -7.070
   69   2HG1  VAL   8          1HG1      VAL   8   3.218  -8.480  -7.458
   70   3HG1  VAL   8          2HG1      VAL   8   4.918  -8.698  -7.027
   71   1HG2  VAL   8          3HG2      VAL   8   1.926 -10.250  -5.302
   72   2HG2  VAL   8          1HG2      VAL   8   1.769  -8.940  -4.113
   73   3HG2  VAL   8          2HG2      VAL   8   1.447  -8.619  -5.818
   74    H    CYS   9           HN       CYN   9   5.781  -7.393  -4.222
   75    HA   CYS   9           HA       CYN   9   8.376  -8.570  -5.053
   76   1HB   CYS   9          2HB       CYN   9   9.125  -6.283  -5.243
   77   2HB   CYS   9          3HB       CYN   9   7.695  -6.618  -6.230
   78    H    GLY  10           HN       GLY  10   7.246  -6.356  -2.495
   79   1HA   GLY  10          2HA       GLY  10   7.834  -7.357  -0.116
   80   2HA   GLY  10          3HA       GLY  10   9.488  -7.213  -0.728
   81    H    TYR  11           HN       TYR  11   6.674  -5.013  -1.163
   82    HA   TYR  11           HA       TYR  11   8.244  -2.786   0.017
   83   1HB   TYR  11          2HB       TYR  11   7.090  -3.053  -2.475
   84   2HB   TYR  11          3HB       TYR  11   5.828  -2.201  -1.626
   85    HD1  TYR  11           HD1      TYR  11   6.583  -0.045  -0.290
   86    HD2  TYR  11           HD2      TYR  11   8.902  -1.944  -3.392
   87    HE1  TYR  11           HE1      TYR  11   7.744   2.094  -0.734
   88    HE2  TYR  11           HE2      TYR  11  10.139   0.158  -3.753
   89    HH   TYR  11           HOH      TYR  11   9.232   3.200  -2.104
   90    H    ILE  12           HN       ILE  12   7.675  -2.663   2.199
   91    HA   ILE  12           HA       ILE  12   4.972  -3.295   3.037
   92    HB   ILE  12           HB       ILE  12   7.450  -2.361   4.448
   93   1HG1  ILE  12          2HG1      ILE  12   5.477  -4.612   5.012
   94   2HG1  ILE  12          3HG1      ILE  12   6.776  -4.786   3.830
   95   1HG2  ILE  12          3HG2      ILE  12   4.640  -2.334   5.652
   96   2HG2  ILE  12          1HG2      ILE  12   6.132  -2.294   6.599
   97   3HG2  ILE  12          2HG2      ILE  12   5.752  -0.956   5.529
   98   1HD1  ILE  12          2HD1      ILE  12   7.203  -4.238   6.795
   99   2HD1  ILE  12          3HD1      ILE  12   7.401  -5.782   5.957
  100   3HD1  ILE  12          1HD1      ILE  12   8.469  -4.423   5.557
  101    H    TYR  13           HN       TYR  13   3.270  -2.044   3.057
  102    HA   TYR  13           HA       TYR  13   3.387   0.827   2.374
  103   1HB   TYR  13          2HB       TYR  13   1.627  -0.595   1.409
  104   2HB   TYR  13          3HB       TYR  13   1.142  -1.098   3.034
  105    HD1  TYR  13           HD1      TYR  13  -0.177   0.361   4.479
  106    HD2  TYR  13           HD2      TYR  13   0.795   1.482   0.484
  107    HE1  TYR  13           HE1      TYR  13  -1.676   2.327   4.648
  108    HE2  TYR  13           HE2      TYR  13  -0.259   3.729   0.845
  109    HH   TYR  13           HOH      TYR  13  -2.363   4.408   3.687
  110    H    ASN  14           HN       ASN  14   3.080   2.441   3.898
  111    HA   ASN  14           HA       ASN  14   2.440   1.677   6.699
  112   1HB   ASN  14          2HB       ASN  14   4.865   2.272   6.439
  113   2HB   ASN  14          3HB       ASN  14   4.383   3.842   5.812
  114   1HD2  ASN  14          2HND      ASN  14   5.075   4.316   9.411
  115   2HD2  ASN  14          1HND      ASN  14   5.765   4.456   7.804
  116    HA   PRO  15           HA       PRO  15  -0.777   4.435   5.443
  117   1HB   PRO  15          2HB       PRO  15  -2.328   4.406   7.764
  118   2HB   PRO  15          3HB       PRO  15  -2.410   3.163   6.513
  119   1HG   PRO  15          2HG       PRO  15  -0.972   3.062   9.139
  120   2HG   PRO  15          3HG       PRO  15  -1.770   1.755   8.219
  121   1HD   PRO  15          2HD       PRO  15   0.933   2.190   8.361
  122   2HD   PRO  15          3HD       PRO  15   0.200   1.280   7.042
  123    H    GLU  16           HN       GLU  16   0.899   4.815   8.583
  124    HA   GLU  16           HA       GLU  16  -0.024   7.464   9.039
  125   1HB   GLU  16          2HB       GLU  16   2.518   6.037   9.898
  126   2HB   GLU  16          3HB       GLU  16   1.948   7.598  10.477
  127   1HG   GLU  16          2HG       GLU  16  -0.308   6.309  11.007
  128   2HG   GLU  16          3HG       GLU  16   0.690   4.850  10.881
  129    H    ASP  17           HN       ASP  17   2.395   6.130   6.921
  130    HA   ASP  17           HA       ASP  17   3.575   8.797   6.263
  131   1HB   ASP  17          2HB       ASP  17   4.160   5.974   5.341
  132   2HB   ASP  17          3HB       ASP  17   5.015   7.406   4.765
  133    H    GLY  18           HN       GLY  18   1.379   6.296   5.050
  134   1HA   GLY  18          2HA       GLY  18   0.073   6.140   3.262
  135   2HA   GLY  18          3HA       GLY  18   0.286   7.866   2.915
  136    H    ASP  19           HN       ASP  19   0.432   7.289   0.698
  137    HA   ASP  19           HA       ASP  19   3.185   6.866  -0.183
  138   1HB   ASP  19          2HB       ASP  19   1.012   4.893  -0.701
  139   2HB   ASP  19          3HB       ASP  19   1.775   5.452  -2.170
  140    HA   PRO  20           HA       PRO  20   0.386  10.291  -1.705
  141   1HB   PRO  20          2HB       PRO  20   2.086  12.427  -1.234
  142   2HB   PRO  20          3HB       PRO  20   0.874  11.797  -0.076
  143   1HG   PRO  20          2HG       PRO  20   3.836  11.218  -0.193
  144   2HG   PRO  20          3HG       PRO  20   2.833  11.547   1.251
  145   1HD   PRO  20          2HD       PRO  20   3.536   9.020   0.551
  146   2HD   PRO  20          3HD       PRO  20   1.919   9.364   1.215
  147    H    ASP  21           HN       ASP  21   3.802   9.495  -2.327
  148    HA   ASP  21           HA       ASP  21   4.181  11.064  -4.648
  149   1HB   ASP  21          2HB       ASP  21   5.362   8.429  -3.613
  150   2HB   ASP  21          3HB       ASP  21   5.953   9.275  -5.038
  151    H    ASN  22           HN       ASN  22   2.481   8.096  -3.979
  152    HA   ASN  22           HA       ASN  22   2.159   7.402  -6.849
  153   1HB   ASN  22          2HB       ASN  22   1.388   5.855  -4.354
  154   2HB   ASN  22          3HB       ASN  22   1.410   5.240  -6.004
  155   1HD2  ASN  22          2HND      ASN  22   4.837   5.390  -3.765
  156   2HD2  ASN  22          1HND      ASN  22   3.390   6.149  -3.208
  157    H    GLY  23           HN       GLY  23   0.507   8.609  -4.083
  158   1HA   GLY  23          2HA       GLY  23  -1.260  10.177  -4.844
  159   2HA   GLY  23          3HA       GLY  23  -2.059   8.817  -5.641
  160    H    VAL  24           HN       VAL  24  -0.605   8.123  -2.528
  161    HA   VAL  24           HA       VAL  24  -3.330   7.960  -1.285
  162    HB   VAL  24           HB       VAL  24  -0.817   6.304  -1.024
  163   1HG1  VAL  24          2HG1      VAL  24  -3.423   6.164   0.508
  164   2HG1  VAL  24          3HG1      VAL  24  -2.239   4.846   0.441
  165   3HG1  VAL  24          1HG1      VAL  24  -1.783   6.394   1.174
  166   1HG2  VAL  24          3HG2      VAL  24  -2.194   5.845  -3.045
  167   2HG2  VAL  24          1HG2      VAL  24  -2.233   4.491  -1.902
  168   3HG2  VAL  24          2HG2      VAL  24  -3.617   5.600  -2.015
  169    H    ASN  25           HN       ASN  25  -3.573   9.615   0.109
  170    HA   ASN  25           HA       ASN  25  -1.386  11.182   1.073
  171   1HB   ASN  25          2HB       ASN  25  -4.360  11.019   1.681
  172   2HB   ASN  25          3HB       ASN  25  -3.316  11.987   2.711
  173   1HD2  ASN  25          2HND      ASN  25  -3.798  13.203  -1.201
  174   2HD2  ASN  25          1HND      ASN  25  -4.070  11.521  -0.813
  175    HA   PRO  26           HA       PRO  26  -0.268   9.009   4.808
  176   1HB   PRO  26          2HB       PRO  26   0.089  11.086   6.627
  177   2HB   PRO  26          3HB       PRO  26   1.289  10.499   5.459
  178   1HG   PRO  26          2HG       PRO  26  -0.511  12.897   5.251
  179   2HG   PRO  26          3HG       PRO  26   1.184  12.693   4.694
  180   1HD   PRO  26          2HD       PRO  26  -1.015  12.581   3.019
  181   2HD   PRO  26          3HD       PRO  26   0.497  11.681   2.701
  182    H    GLY  27           HN       GLY  27  -1.191   8.264   6.625
  183   1HA   GLY  27          2HA       GLY  27  -2.811   7.790   8.161
  184   2HA   GLY  27          3HA       GLY  27  -3.593   9.352   7.858
  185    H    THR  28           HN       THR  28  -2.984   7.246   4.973
  186    HA   THR  28           HA       THR  28  -5.911   6.888   4.854
  187    HB   THR  28           HB       THR  28  -3.661   6.318   2.881
  188    HG1  THR  28           HG1      THR  28  -4.014   8.503   3.041
  189   1HG2  THR  28          3HG2      THR  28  -6.690   6.150   2.684
  190   2HG2  THR  28          1HG2      THR  28  -5.600   6.100   1.278
  191   3HG2  THR  28          2HG2      THR  28  -5.507   4.829   2.515
  192    H    ASP  29           HN       ASP  29  -6.682   5.140   5.737
  193    HA   ASP  29           HA       ASP  29  -5.179   2.883   6.618
  194   1HB   ASP  29          2HB       ASP  29  -7.573   3.641   7.249
  195   2HB   ASP  29          3HB       ASP  29  -8.094   2.848   5.779
  196    H    PHE  30           HN       PHE  30  -4.694   1.030   5.566
  197    HA   PHE  30           HA       PHE  30  -4.399   0.828   2.775
  198   1HB   PHE  30          2HB       PHE  30  -3.532  -0.625   4.785
  199   2HB   PHE  30          3HB       PHE  30  -4.961  -1.610   4.484
  200    HD1  PHE  30           HD1      PHE  30  -5.273  -2.271   1.833
  201    HD2  PHE  30           HD2      PHE  30  -1.585  -1.183   3.754
  202    HE1  PHE  30           HE1      PHE  30  -3.997  -3.168  -0.082
  203    HE2  PHE  30           HE2      PHE  30  -0.326  -2.258   1.886
  204    HZ   PHE  30           HZ       PHE  30  -1.531  -3.175   0.000
  205    H    LYS  31           HN       LYS  31  -7.261   0.164   4.872
  206    HA   LYS  31           HA       LYS  31  -8.569  -1.333   2.734
  207   1HB   LYS  31          2HB       LYS  31 -10.526  -1.357   4.013
  208   2HB   LYS  31          3HB       LYS  31  -9.138  -1.676   5.076
  209   1HG   LYS  31          2HG       LYS  31  -9.136   0.770   5.660
  210   2HG   LYS  31          3HG       LYS  31 -10.607   0.967   4.712
  211   1HD   LYS  31          2HD       LYS  31 -11.757  -0.668   6.096
  212   2HD   LYS  31          3HD       LYS  31 -10.287  -0.896   7.083
  213   1HE   LYS  31          2HE       LYS  31 -10.336   1.380   7.895
  214   2HE   LYS  31          3HE       LYS  31 -11.500   1.887   6.669
  215   1HZ   LYS  31          2HNZ      LYS  31 -12.110   0.062   8.884
  216   2HZ   LYS  31          3HNZ      LYS  31 -12.500   1.662   8.801
  217   3HZ   LYS  31          1HNZ      LYS  31 -13.167   0.603   7.735
  218    H    ASP  32           HN       ASP  32  -8.348   2.048   3.682
  219    HA   ASP  32           HA       ASP  32 -10.559   2.961   2.038
  220   1HB   ASP  32          2HB       ASP  32  -8.375   4.458   3.553
  221   2HB   ASP  32          3HB       ASP  32  -9.777   5.195   2.782
  222    H    ILE  33           HN       ILE  33  -7.119   2.266   1.500
  223    HA   ILE  33           HA       ILE  33  -6.456   4.062  -0.459
  224    HB   ILE  33           HB       ILE  33  -5.905   1.138  -0.198
  225   1HG1  ILE  33          2HG1      ILE  33  -4.516   3.668   0.681
  226   2HG1  ILE  33          3HG1      ILE  33  -5.135   2.444   1.717
  227   1HG2  ILE  33          1HG2      ILE  33  -5.391   1.929  -2.472
  228   2HG2  ILE  33          2HG2      ILE  33  -4.257   3.093  -1.720
  229   3HG2  ILE  33          3HG2      ILE  33  -4.031   1.331  -1.529
  230   1HD1  ILE  33          1HD1      ILE  33  -3.433   0.820   0.617
  231   2HD1  ILE  33          2HD1      ILE  33  -2.651   2.306   0.005
  232   3HD1  ILE  33          3HD1      ILE  33  -2.843   2.037   1.744
  233    HA   PRO  34           HA       PRO  34  -9.571   2.924  -3.518
  234   1HB   PRO  34          2HB       PRO  34  -8.221   3.976  -5.786
  235   2HB   PRO  34          3HB       PRO  34  -9.395   4.801  -4.741
  236   1HG   PRO  34          2HG       PRO  34  -6.483   5.208  -4.912
  237   2HG   PRO  34          3HG       PRO  34  -7.690   6.178  -4.023
  238   1HD   PRO  34          2HD       PRO  34  -5.841   4.186  -2.977
  239   2HD   PRO  34          3HD       PRO  34  -6.916   5.256  -2.073
  240    H    ASP  35           HN       ASP  35  -9.866   1.087  -4.818
  241    HA   ASP  35           HA       ASP  35  -7.762  -0.834  -5.065
  242   1HB   ASP  35          2HB       ASP  35 -10.685  -0.539  -5.746
  243   2HB   ASP  35          3HB       ASP  35  -9.745  -1.691  -6.650
  244    H    ASP  36           HN       ASP  36  -8.455   1.942  -6.902
  245    HA   ASP  36           HA       ASP  36  -7.357   1.095  -9.418
  246   1HB   ASP  36          2HB       ASP  36  -8.580   3.404  -8.330
  247   2HB   ASP  36          3HB       ASP  36  -7.053   3.842  -9.107
  248    H    TRP  37           HN       TRP  37  -5.996   1.837  -6.322
  249    HA   TRP  37           HA       TRP  37  -3.485   2.955  -7.299
  250   1HB   TRP  37          2HB       TRP  37  -4.411   3.585  -5.110
  251   2HB   TRP  37          3HB       TRP  37  -4.369   1.900  -4.613
  252    HD1  TRP  37           HD       TRP  37  -1.876   4.749  -5.302
  253    HE1  TRP  37           HNE      TRP  37   0.230   4.281  -3.913
  254    HE3  TRP  37           HE       TRP  37  -3.033   0.091  -3.678
  255    HZ2  TRP  37           HZ1      TRP  37   1.257   2.156  -2.226
  256    HZ3  TRP  37           HZ2      TRP  37  -1.462  -1.182  -2.185
  257    HH2  TRP  37           HH       TRP  37   0.680  -0.148  -1.476
  258    H    VAL  38           HN       VAL  38  -1.412   1.908  -6.986
  259    HA   VAL  38           HA       VAL  38  -1.371  -1.045  -6.986
  260    HB   VAL  38           HB       VAL  38   0.401  -0.639  -8.883
  261   1HG1  VAL  38          1HG1      VAL  38  -1.625  -2.001  -9.146
  262   2HG1  VAL  38          2HG1      VAL  38  -2.592  -0.542  -9.450
  263   3HG1  VAL  38          3HG1      VAL  38  -1.332  -1.033 -10.602
  264   1HG2  VAL  38          1HG2      VAL  38   0.223   1.867  -8.842
  265   2HG2  VAL  38          2HG2      VAL  38  -0.051   1.141 -10.436
  266   3HG2  VAL  38          3HG2      VAL  38  -1.428   1.719  -9.489
  267    H    CYS  39           HN       CYN  39   0.834  -1.851  -6.696
  268    HA   CYS  39           HA       CYN  39   1.973  -0.612  -4.402
  269   1HB   CYS  39          2HB       CYN  39   1.828  -2.979  -4.590
  270   2HB   CYS  39          3HB       CYN  39   2.730  -2.990  -6.109
  271    HA   PRO  40           HA       PRO  40   4.816   2.063  -6.602
  272   1HB   PRO  40          2HB       PRO  40   6.757   2.460  -4.654
  273   2HB   PRO  40          3HB       PRO  40   5.171   3.272  -4.688
  274   1HG   PRO  40          2HG       PRO  40   5.937   0.801  -3.156
  275   2HG   PRO  40          3HG       PRO  40   5.057   2.241  -2.544
  276   1HD   PRO  40          2HD       PRO  40   3.776  -0.012  -3.254
  277   2HD   PRO  40          3HD       PRO  40   3.080   1.574  -3.709
  278    H    LEU  41           HN       LEU  41   6.197   1.412  -8.132
  279    HA   LEU  41           HA       LEU  41   7.906   0.429  -9.245
  280   1HB   LEU  41          2HB       LEU  41   9.154  -0.198  -6.539
  281   2HB   LEU  41          3HB       LEU  41   9.970  -0.065  -8.092
  282    HG   LEU  41           HG       LEU  41   8.593   2.225  -6.612
  283   1HD1  LEU  41          3HD1      LEU  41  11.536   1.547  -6.976
  284   2HD1  LEU  41          1HD1      LEU  41  10.904   3.059  -6.284
  285   3HD1  LEU  41          2HD1      LEU  41  10.607   1.523  -5.464
  286   1HD2  LEU  41          3HD2      LEU  41  10.286   2.197  -9.164
  287   2HD2  LEU  41          1HD2      LEU  41   8.554   2.596  -9.070
  288   3HD2  LEU  41          2HD2      LEU  41   9.744   3.659  -8.312
  289    H    CYS  42           HN       CYN  42   5.561  -1.139  -8.674
  290    HA   CYS  42           HA       CYN  42   6.624  -3.850  -9.068
  291   1HB   CYS  42          2HB       CYN  42   6.444  -3.541  -6.671
  292   2HB   CYS  42          3HB       CYN  42   4.814  -2.895  -6.857
  293    H    GLY  43           HN       GLY  43   4.697  -5.224  -9.736
  294   1HA   GLY  43          2HA       GLY  43   2.872  -3.606 -11.506
  295   2HA   GLY  43          3HA       GLY  43   3.673  -5.102 -11.989
  296    H    VAL  44           HN       VAL  44   0.952  -3.762 -10.528
  297    HA   VAL  44           HA       VAL  44  -1.019  -4.604  -9.838
  298    HB   VAL  44           HB       VAL  44   0.135  -7.426  -9.774
  299   1HG1  VAL  44          3HG1      VAL  44  -2.716  -6.403  -9.578
  300   2HG1  VAL  44          1HG1      VAL  44  -2.215  -8.102  -9.703
  301   3HG1  VAL  44          2HG1      VAL  44  -1.773  -7.162  -8.277
  302   1HG2  VAL  44          1HG2      VAL  44  -1.592  -6.016 -11.867
  303   2HG2  VAL  44          2HG2      VAL  44   0.087  -6.545 -12.106
  304   3HG2  VAL  44          3HG2      VAL  44  -1.184  -7.744 -11.854
  305    H    GLY  45           HN       GLY  45  -1.657  -4.152  -7.779
  306   1HA   GLY  45          2HA       GLY  45  -0.354  -5.270  -5.458
  307   2HA   GLY  45          3HA       GLY  45  -0.071  -3.524  -5.678
  308    H    LYS  46           HN       LYS  46  -1.500  -4.156  -3.497
  309    HA   LYS  46           HA       LYS  46  -3.470  -4.131  -2.397
  310   1HB   LYS  46          2HB       LYS  46  -3.725  -1.956  -2.726
  311   2HB   LYS  46          3HB       LYS  46  -3.914  -2.052  -4.487
  312   1HG   LYS  46          2HG       LYS  46  -6.146  -2.472  -4.396
  313   2HG   LYS  46          3HG       LYS  46  -6.102  -3.268  -2.822
  314   1HD   LYS  46          2HD       LYS  46  -5.616  -0.295  -3.085
  315   2HD   LYS  46          3HD       LYS  46  -7.230  -0.993  -3.029
  316   1HE   LYS  46          2HE       LYS  46  -5.959  -2.327  -0.924
  317   2HE   LYS  46          3HE       LYS  46  -5.310  -0.729  -0.828
  318   1HZ   LYS  46          1HNZ      LYS  46  -7.736   0.035  -0.976
  319   2HZ   LYS  46          2HNZ      LYS  46  -8.184  -1.521  -0.836
  320   3HZ   LYS  46          3HNZ      LYS  46  -7.339  -0.765   0.397
  321    H    ASP  47           HN       ASP  47  -3.403  -6.307  -2.892
  322    HA   ASP  47           HA       ASP  47  -6.090  -7.198  -3.617
  323   1HB   ASP  47          2HB       ASP  47  -5.156  -7.565  -5.775
  324   2HB   ASP  47          3HB       ASP  47  -3.628  -8.175  -5.126
  325    H    GLN  48           HN       GLN  48  -2.937  -8.780  -3.196
  326    HA   GLN  48           HA       GLN  48  -3.898 -10.099  -0.698
  327   1HB   GLN  48          2HB       GLN  48  -2.947 -11.140  -3.129
  328   2HB   GLN  48          3HB       GLN  48  -1.539 -11.235  -2.076
  329   1HG   GLN  48          2HG       GLN  48  -2.939 -12.463  -0.397
  330   2HG   GLN  48          3HG       GLN  48  -4.335 -12.307  -1.483
  331   1HE2  GLN  48          2HNE      GLN  48  -1.253 -14.753  -2.779
  332   2HE2  GLN  48          1HNE      GLN  48  -0.859 -13.273  -1.921
  333    H    PHE  49           HN       PHE  49  -3.191  -8.749   0.967
  334    HA   PHE  49           HA       PHE  49  -0.289  -8.159   1.183
  335   1HB   PHE  49          2HB       PHE  49  -0.984  -5.879   2.041
  336   2HB   PHE  49          3HB       PHE  49  -1.067  -6.081   0.309
  337    HD1  PHE  49           HD2      PHE  49  -3.326  -6.547  -0.793
  338    HD2  PHE  49           HD1      PHE  49  -2.921  -5.056   3.192
  339    HE1  PHE  49           HE2      PHE  49  -5.762  -6.040  -0.736
  340    HE2  PHE  49           HE1      PHE  49  -5.365  -4.729   3.350
  341    HZ   PHE  49           HZ       PHE  49  -6.798  -5.196   1.358
  342    H    GLU  50           HN       GLU  50   0.438  -8.520   3.256
  343    HA   GLU  50           HA       GLU  50  -1.504  -9.624   5.225
  344   1HB   GLU  50          2HB       GLU  50   1.521  -9.787   4.862
  345   2HB   GLU  50          3HB       GLU  50   0.706 -10.371   6.278
  346   1HG   GLU  50          2HG       GLU  50  -0.500 -12.047   4.991
  347   2HG   GLU  50          3HG       GLU  50  -0.091 -11.263   3.457
  348    H    GLU  51           HN       GLU  51  -1.399  -8.843   7.496
  349    HA   GLU  51           HA       GLU  51  -0.803  -6.001   7.677
  350   1HB   GLU  51          2HB       GLU  51  -2.845  -6.917   8.651
  351   2HB   GLU  51          3HB       GLU  51  -1.935  -8.149   9.541
  352   1HG   GLU  51          2HG       GLU  51  -0.902  -6.562  10.894
  353   2HG   GLU  51          3HG       GLU  51  -1.600  -5.168  10.039
  354    H    VAL  52           HN       VAL  52   0.858  -5.070   8.855
  355    HA   VAL  52           HA       VAL  52   3.062  -6.829   9.783
  356    HB   VAL  52           HB       VAL  52   2.878  -4.067   8.533
  357   1HG1  VAL  52          3HG1      VAL  52   5.226  -5.310  10.021
  358   2HG1  VAL  52          1HG1      VAL  52   5.300  -3.838   9.012
  359   3HG1  VAL  52          2HG1      VAL  52   4.296  -3.864  10.467
  360   1HG2  VAL  52          2HG2      VAL  52   3.062  -5.930   6.996
  361   2HG2  VAL  52          3HG2      VAL  52   4.496  -4.885   7.016
  362   3HG2  VAL  52          1HG2      VAL  52   4.547  -6.479   7.819
  363    H    GLU  53           HN       GLU  53   2.627  -7.147  11.901
  364    HA   GLU  53           HA       GLU  53   1.327  -5.282  13.605
  365   1HB   GLU  53          2HB       GLU  53   1.783  -6.964  15.277
  366   2HB   GLU  53          3HB       GLU  53   0.989  -7.611  13.841
  367   1HG   GLU  53          2HG       GLU  53   3.252  -8.537  13.105
  368   2HG   GLU  53          3HG       GLU  53   3.924  -7.962  14.626
  369    H    GLU  54           HN       GLU  54   3.044  -3.703  12.831
  370    HA   GLU  54           HA       GLU  54   5.195  -3.340  14.890
  371   1HB   GLU  54          2HB       GLU  54   4.270  -1.386  12.758
  372   2HB   GLU  54          3HB       GLU  54   5.570  -1.159  13.930
  373   1HG   GLU  54          2HG       GLU  54   6.274  -3.574  12.660
  374   2HG   GLU  54          3HG       GLU  54   5.641  -2.556  11.361
   
  No H/Q in entry =         374
  Start of MODEL    6
    1   1H    MET   1          1HN       MET   1  -1.337   3.510  12.593
    2   2H    MET   1          2HN       MET   1  -2.078   4.349  11.489
    3   3H    MET   1          3HN       MET   1  -2.878   4.026  12.893
    4    HA   MET   1           HA       MET   1  -3.533   1.959  12.221
    5   1HB   MET   1          2HB       MET   1  -2.791   3.410   9.682
    6   2HB   MET   1          3HB       MET   1  -3.596   1.837   9.614
    7   1HG   MET   1          2HG       MET   1  -5.598   2.715  10.308
    8   2HG   MET   1          3HG       MET   1  -4.837   3.973  11.296
    9   1HE   MET   1          1HE       MET   1  -7.410   4.472   9.479
   10   2HE   MET   1          2HE       MET   1  -6.665   5.716  10.517
   11   3HE   MET   1          3HE       MET   1  -6.999   6.067   8.805
   12    H    LYS   2           HN       LYS   2  -2.906  -0.089  10.857
   13    HA   LYS   2           HA       LYS   2  -0.112  -0.662  11.625
   14   1HB   LYS   2          2HB       LYS   2  -2.460  -2.412  10.882
   15   2HB   LYS   2          3HB       LYS   2  -0.841  -3.029  11.261
   16   1HG   LYS   2          2HG       LYS   2  -1.851  -1.052  13.212
   17   2HG   LYS   2          3HG       LYS   2  -2.849  -2.510  13.128
   18   1HD   LYS   2          2HD       LYS   2   0.186  -2.638  13.369
   19   2HD   LYS   2          3HD       LYS   2  -0.789  -2.267  14.792
   20   1HE   LYS   2          2HE       LYS   2  -2.088  -4.415  14.420
   21   2HE   LYS   2          3HE       LYS   2  -0.980  -4.785  13.091
   22   1HZ   LYS   2          3HNZ      LYS   2   0.837  -4.494  14.760
   23   2HZ   LYS   2          1HNZ      LYS   2  -0.289  -4.495  15.932
   24   3HZ   LYS   2          2HNZ      LYS   2  -0.130  -5.836  14.978
   25    H    LYS   3           HN       LYS   3   1.306  -1.711  10.240
   26    HA   LYS   3           HA       LYS   3   1.288  -0.630   7.531
   27   1HB   LYS   3          2HB       LYS   3   3.280  -2.376   9.009
   28   2HB   LYS   3          3HB       LYS   3   3.527  -1.599   7.450
   29   1HG   LYS   3          2HG       LYS   3   3.139   0.625   8.430
   30   2HG   LYS   3          3HG       LYS   3   2.795  -0.075   9.991
   31   1HD   LYS   3          2HD       LYS   3   4.983   0.628  10.287
   32   2HD   LYS   3          3HD       LYS   3   5.047  -1.124  10.078
   33   1HE   LYS   3          2HE       LYS   3   5.606  -0.647   7.603
   34   2HE   LYS   3          3HE       LYS   3   5.845   1.040   8.081
   35   1HZ   LYS   3          1HNZ      LYS   3   7.255  -1.270   9.248
   36   2HZ   LYS   3          2HNZ      LYS   3   7.898  -0.273   8.104
   37   3HZ   LYS   3          3HNZ      LYS   3   7.540   0.282   9.617
   38    H    TYR   4           HN       TYR   4   1.988  -2.151   5.711
   39    HA   TYR   4           HA       TYR   4   0.650  -4.796   5.927
   40   1HB   TYR   4          2HB       TYR   4  -0.158  -2.589   4.013
   41   2HB   TYR   4          3HB       TYR   4  -0.408  -4.273   3.625
   42    HD1  TYR   4           HD2      TYR   4  -1.389  -1.600   6.023
   43    HD2  TYR   4           HD1      TYR   4  -2.145  -5.520   4.495
   44    HE1  TYR   4           HE2      TYR   4  -3.348  -1.795   7.543
   45    HE2  TYR   4           HE1      TYR   4  -4.044  -5.797   6.112
   46    HH   TYR   4           HOH      TYR   4  -5.010  -3.211   8.355
   47    H    THR   5           HN       THR   5   1.497  -6.375   4.604
   48    HA   THR   5           HA       THR   5   3.893  -5.518   3.020
   49    HB   THR   5           HB       THR   5   3.959  -7.515   4.484
   50    HG1  THR   5           HG1      THR   5   4.463  -8.061   1.756
   51   1HG2  THR   5          3HG2      THR   5   1.701  -8.365   3.852
   52   2HG2  THR   5          1HG2      THR   5   2.341  -8.884   2.286
   53   3HG2  THR   5          2HG2      THR   5   2.982  -9.596   3.779
   54    H    CYS   6           HN       CYN   6   4.015  -5.513   0.831
   55    HA   CYS   6           HA       CYN   6   1.699  -6.094  -0.902
   56   1HB   CYS   6          2HB       CYN   6   3.237  -4.304  -1.501
   57   2HB   CYS   6          3HB       CYN   6   4.609  -5.405  -1.419
   58    H    THR   7           HN       THR   7   2.409  -7.921  -2.685
   59    HA   THR   7           HA       THR   7   2.514 -10.333  -1.102
   60    HB   THR   7           HB       THR   7   2.450 -11.296  -3.535
   61    HG1  THR   7           HG1      THR   7   1.808  -9.742  -5.038
   62   1HG2  THR   7          3HG2      THR   7   0.488 -11.144  -2.003
   63   2HG2  THR   7          1HG2      THR   7   0.239  -9.460  -2.507
   64   3HG2  THR   7          2HG2      THR   7   0.045 -10.780  -3.683
   65    H    VAL   8           HN       VAL   8   4.554  -9.916  -0.141
   66    HA   VAL   8           HA       VAL   8   6.700 -10.475   0.282
   67    HB   VAL   8           HB       VAL   8   6.831 -11.778  -2.483
   68   1HG1  VAL   8          2HG1      VAL   8   8.850 -11.733  -0.213
   69   2HG1  VAL   8          3HG1      VAL   8   8.925 -12.771  -1.653
   70   3HG1  VAL   8          1HG1      VAL   8   9.057 -11.019  -1.828
   71   1HG2  VAL   8          2HG2      VAL   8   6.639 -12.952   0.323
   72   2HG2  VAL   8          3HG2      VAL   8   5.328 -12.937  -0.874
   73   3HG2  VAL   8          1HG2      VAL   8   6.800 -13.864  -1.192
   74    H    CYS   9           HN       CYN   9   6.701  -9.672  -3.190
   75    HA   CYS   9           HA       CYN   9   7.942  -8.053  -4.339
   76   1HB   CYS   9          2HB       CYN   9   5.674  -7.318  -3.790
   77   2HB   CYS   9          3HB       CYN   9   6.279  -6.532  -2.324
   78    H    GLY  10           HN       GLY  10   8.214  -5.444  -2.422
   79   1HA   GLY  10          2HA       GLY  10  10.023  -6.104  -0.350
   80   2HA   GLY  10          3HA       GLY  10  10.965  -5.523  -1.744
   81    H    TYR  11           HN       TYR  11   7.669  -4.576  -0.674
   82    HA   TYR  11           HA       TYR  11   8.563  -1.822  -0.082
   83   1HB   TYR  11          2HB       TYR  11   7.946  -2.511  -2.662
   84   2HB   TYR  11          3HB       TYR  11   6.370  -2.011  -2.119
   85    HD1  TYR  11           HD1      TYR  11   6.633   0.315  -0.514
   86    HD2  TYR  11           HD2      TYR  11   9.122  -0.904  -3.823
   87    HE1  TYR  11           HE1      TYR  11   7.404   2.656  -0.811
   88    HE2  TYR  11           HE2      TYR  11   9.878   1.425  -4.116
   89    HH   TYR  11           HOH      TYR  11   9.731   3.595  -3.357
   90    H    ILE  12           HN       ILE  12   7.895  -2.666   2.030
   91    HA   ILE  12           HA       ILE  12   5.169  -3.302   2.613
   92    HB   ILE  12           HB       ILE  12   7.571  -2.431   4.201
   93   1HG1  ILE  12          2HG1      ILE  12   5.595  -4.744   4.470
   94   2HG1  ILE  12          3HG1      ILE  12   7.033  -4.794   3.448
   95   1HG2  ILE  12          1HG2      ILE  12   4.754  -2.475   5.368
   96   2HG2  ILE  12          2HG2      ILE  12   6.253  -2.446   6.310
   97   3HG2  ILE  12          3HG2      ILE  12   5.849  -1.074   5.301
   98   1HD1  ILE  12          2HD1      ILE  12   8.467  -4.441   5.448
   99   2HD1  ILE  12          3HD1      ILE  12   7.017  -4.524   6.481
  100   3HD1  ILE  12          1HD1      ILE  12   7.495  -5.925   5.517
  101    H    TYR  13           HN       TYR  13   3.414  -2.100   2.927
  102    HA   TYR  13           HA       TYR  13   3.490   0.779   2.273
  103   1HB   TYR  13          2HB       TYR  13   1.769  -0.633   1.286
  104   2HB   TYR  13          3HB       TYR  13   1.254  -1.177   2.886
  105    HD1  TYR  13           HD2      TYR  13   0.049   0.381   4.432
  106    HD2  TYR  13           HD1      TYR  13   0.808   1.343   0.339
  107    HE1  TYR  13           HE2      TYR  13  -1.497   2.304   4.552
  108    HE2  TYR  13           HE1      TYR  13  -0.159   3.619   0.688
  109    HH   TYR  13           HOH      TYR  13  -2.219   4.323   3.574
  110    H    ASN  14           HN       ASN  14   3.188   2.366   3.798
  111    HA   ASN  14           HA       ASN  14   2.603   1.583   6.608
  112   1HB   ASN  14          2HB       ASN  14   5.021   2.208   6.237
  113   2HB   ASN  14          3HB       ASN  14   4.488   3.791   5.688
  114   1HD2  ASN  14          2HND      ASN  14   5.299   4.149   9.271
  115   2HD2  ASN  14          1HND      ASN  14   5.934   4.347   7.641
  116    HA   PRO  15           HA       PRO  15  -0.657   4.336   5.354
  117   1HB   PRO  15          2HB       PRO  15  -2.202   4.263   7.663
  118   2HB   PRO  15          3HB       PRO  15  -2.255   2.972   6.460
  119   1HG   PRO  15          2HG       PRO  15  -0.746   3.001   9.053
  120   2HG   PRO  15          3HG       PRO  15  -1.580   1.647   8.225
  121   1HD   PRO  15          2HD       PRO  15   1.123   2.133   8.285
  122   2HD   PRO  15          3HD       PRO  15   0.394   1.171   7.016
  123    H    GLU  16           HN       GLU  16   1.086   4.596   8.406
  124    HA   GLU  16           HA       GLU  16   0.116   7.197   9.039
  125   1HB   GLU  16          2HB       GLU  16   2.645   5.725   9.865
  126   2HB   GLU  16          3HB       GLU  16   1.929   7.134  10.623
  127   1HG   GLU  16          2HG       GLU  16  -0.288   5.525  10.563
  128   2HG   GLU  16          3HG       GLU  16   0.936   4.245  10.488
  129    H    ASP  17           HN       ASP  17   2.516   6.012   6.886
  130    HA   ASP  17           HA       ASP  17   3.678   8.704   6.279
  131   1HB   ASP  17          2HB       ASP  17   4.208   5.940   5.139
  132   2HB   ASP  17          3HB       ASP  17   5.009   7.415   4.628
  133    H    GLY  18           HN       GLY  18   1.446   6.229   5.086
  134   1HA   GLY  18          2HA       GLY  18  -0.064   6.221   3.395
  135   2HA   GLY  18          3HA       GLY  18   0.290   7.913   3.013
  136    H    ASP  19           HN       ASP  19   0.461   7.489   0.813
  137    HA   ASP  19           HA       ASP  19   3.140   6.811  -0.018
  138   1HB   ASP  19          2HB       ASP  19   2.240   4.589  -0.117
  139   2HB   ASP  19          3HB       ASP  19   0.791   5.114  -0.979
  140    HA   PRO  20           HA       PRO  20   0.413  10.276  -1.544
  141   1HB   PRO  20          2HB       PRO  20   2.148  12.393  -1.230
  142   2HB   PRO  20          3HB       PRO  20   1.094  11.737   0.060
  143   1HG   PRO  20          2HG       PRO  20   4.010  11.100  -0.457
  144   2HG   PRO  20          3HG       PRO  20   3.238  11.516   1.103
  145   1HD   PRO  20          2HD       PRO  20   3.719   8.950   0.442
  146   2HD   PRO  20          3HD       PRO  20   2.175   9.394   1.231
  147    H    ASP  21           HN       ASP  21   3.764   9.405  -2.523
  148    HA   ASP  21           HA       ASP  21   3.931  11.036  -4.797
  149   1HB   ASP  21          2HB       ASP  21   5.157   8.324  -4.099
  150   2HB   ASP  21          3HB       ASP  21   5.716   9.418  -5.369
  151    H    ASN  22           HN       ASN  22   2.178   8.101  -4.082
  152    HA   ASN  22           HA       ASN  22   1.405   7.710  -6.946
  153   1HB   ASN  22          2HB       ASN  22   1.243   5.811  -4.604
  154   2HB   ASN  22          3HB       ASN  22   0.903   5.417  -6.286
  155   1HD2  ASN  22          2HND      ASN  22   4.801   5.682  -5.006
  156   2HD2  ASN  22          1HND      ASN  22   3.476   6.188  -3.969
  157    H    GLY  23           HN       GLY  23   0.375   9.608  -4.635
  158   1HA   GLY  23          2HA       GLY  23  -1.628  10.700  -4.725
  159   2HA   GLY  23          3HA       GLY  23  -2.426   9.305  -5.456
  160    H    VAL  24           HN       VAL  24  -0.691   8.308  -2.637
  161    HA   VAL  24           HA       VAL  24  -3.302   8.100  -1.185
  162    HB   VAL  24           HB       VAL  24  -0.738   6.558  -1.192
  163   1HG1  VAL  24          2HG1      VAL  24  -3.095   6.124   0.610
  164   2HG1  VAL  24          3HG1      VAL  24  -1.817   4.940   0.235
  165   3HG1  VAL  24          1HG1      VAL  24  -1.385   6.445   1.047
  166   1HG2  VAL  24          1HG2      VAL  24  -2.317   6.143  -3.101
  167   2HG2  VAL  24          2HG2      VAL  24  -2.185   4.729  -2.036
  168   3HG2  VAL  24          3HG2      VAL  24  -3.604   5.788  -1.932
  169    H    ASN  25           HN       ASN  25  -3.571   9.672   0.257
  170    HA   ASN  25           HA       ASN  25  -1.421  11.287   1.262
  171   1HB   ASN  25          2HB       ASN  25  -4.385  11.015   1.884
  172   2HB   ASN  25          3HB       ASN  25  -3.350  12.008   2.898
  173   1HD2  ASN  25          2HND      ASN  25  -3.841  13.255  -1.012
  174   2HD2  ASN  25          1HND      ASN  25  -3.866  11.537  -0.697
  175    HA   PRO  26           HA       PRO  26  -0.270   8.945   4.922
  176   1HB   PRO  26          2HB       PRO  26   0.042  10.984   6.807
  177   2HB   PRO  26          3HB       PRO  26   1.267  10.413   5.658
  178   1HG   PRO  26          2HG       PRO  26  -0.526  12.816   5.449
  179   2HG   PRO  26          3HG       PRO  26   1.185  12.629   4.938
  180   1HD   PRO  26          2HD       PRO  26  -0.945  12.558   3.188
  181   2HD   PRO  26          3HD       PRO  26   0.546  11.609   2.914
  182    H    GLY  27           HN       GLY  27  -1.195   8.114   6.710
  183   1HA   GLY  27          2HA       GLY  27  -2.773   7.630   8.279
  184   2HA   GLY  27          3HA       GLY  27  -3.606   9.168   7.968
  185    H    THR  28           HN       THR  28  -2.929   7.026   5.120
  186    HA   THR  28           HA       THR  28  -5.847   6.542   5.020
  187    HB   THR  28           HB       THR  28  -3.609   6.224   2.967
  188    HG1  THR  28           HG1      THR  28  -4.020   8.367   3.169
  189   1HG2  THR  28          3HG2      THR  28  -6.626   5.943   2.788
  190   2HG2  THR  28          1HG2      THR  28  -5.519   5.958   1.389
  191   3HG2  THR  28          2HG2      THR  28  -5.407   4.660   2.596
  192    H    ASP  29           HN       ASP  29  -6.424   4.755   5.915
  193    HA   ASP  29           HA       ASP  29  -4.765   2.514   6.582
  194   1HB   ASP  29          2HB       ASP  29  -7.078   3.120   7.480
  195   2HB   ASP  29          3HB       ASP  29  -7.734   2.493   5.993
  196    H    PHE  30           HN       PHE  30  -4.324   0.760   5.391
  197    HA   PHE  30           HA       PHE  30  -4.239   0.639   2.618
  198   1HB   PHE  30          2HB       PHE  30  -3.345  -0.900   4.543
  199   2HB   PHE  30          3HB       PHE  30  -4.790  -1.857   4.229
  200    HD1  PHE  30           HD2      PHE  30  -5.160  -2.565   1.693
  201    HD2  PHE  30           HD1      PHE  30  -1.483  -0.919   3.193
  202    HE1  PHE  30           HE2      PHE  30  -3.955  -3.477  -0.246
  203    HE2  PHE  30           HE1      PHE  30  -0.285  -1.770   1.179
  204    HZ   PHE  30           HZ       PHE  30  -1.492  -3.090  -0.462
  205    H    LYS  31           HN       LYS  31  -7.063  -0.123   4.754
  206    HA   LYS  31           HA       LYS  31  -8.421  -1.529   2.596
  207   1HB   LYS  31          2HB       LYS  31 -10.374  -1.512   3.924
  208   2HB   LYS  31          3HB       LYS  31  -8.960  -1.914   4.920
  209   1HG   LYS  31          2HG       LYS  31  -8.869   0.538   5.568
  210   2HG   LYS  31          3HG       LYS  31 -10.396   0.774   4.744
  211   1HD   LYS  31          2HD       LYS  31 -11.462  -0.883   6.190
  212   2HD   LYS  31          3HD       LYS  31  -9.893  -1.233   6.969
  213   1HE   LYS  31          2HE       LYS  31  -9.719   1.077   7.804
  214   2HE   LYS  31          3HE       LYS  31 -11.192   1.548   6.943
  215   1HZ   LYS  31          2HNZ      LYS  31 -11.080  -0.393   9.143
  216   2HZ   LYS  31          3HNZ      LYS  31 -11.575   1.175   9.256
  217   3HZ   LYS  31          1HNZ      LYS  31 -12.442   0.108   8.348
  218    H    ASP  32           HN       ASP  32  -8.233   1.834   3.683
  219    HA   ASP  32           HA       ASP  32 -10.395   2.785   1.984
  220   1HB   ASP  32          2HB       ASP  32  -8.387   4.163   3.817
  221   2HB   ASP  32          3HB       ASP  32  -9.632   5.004   2.888
  222    H    ILE  33           HN       ILE  33  -6.994   2.053   1.416
  223    HA   ILE  33           HA       ILE  33  -6.324   4.035  -0.391
  224    HB   ILE  33           HB       ILE  33  -5.745   1.095  -0.332
  225   1HG1  ILE  33          2HG1      ILE  33  -4.403   3.590   0.706
  226   2HG1  ILE  33          3HG1      ILE  33  -5.005   2.309   1.682
  227   1HG2  ILE  33          3HG2      ILE  33  -5.250   2.026  -2.523
  228   2HG2  ILE  33          1HG2      ILE  33  -4.166   3.208  -1.720
  229   3HG2  ILE  33          2HG2      ILE  33  -3.843   1.454  -1.633
  230   1HD1  ILE  33          2HD1      ILE  33  -3.270   0.771   0.474
  231   2HD1  ILE  33          3HD1      ILE  33  -2.508   2.310  -0.022
  232   3HD1  ILE  33          1HD1      ILE  33  -2.706   1.911   1.692
  233    HA   PRO  34           HA       PRO  34  -9.474   2.991  -3.478
  234   1HB   PRO  34          2HB       PRO  34  -8.087   4.167  -5.682
  235   2HB   PRO  34          3HB       PRO  34  -9.361   4.884  -4.677
  236   1HG   PRO  34          2HG       PRO  34  -6.509   5.551  -4.731
  237   2HG   PRO  34          3HG       PRO  34  -7.798   6.305  -3.752
  238   1HD   PRO  34          2HD       PRO  34  -5.787   4.303  -2.924
  239   2HD   PRO  34          3HD       PRO  34  -6.818   5.322  -1.922
  240    H    ASP  35           HN       ASP  35  -9.650   1.132  -4.778
  241    HA   ASP  35           HA       ASP  35  -7.382  -0.602  -5.081
  242   1HB   ASP  35          2HB       ASP  35 -10.325  -0.571  -5.856
  243   2HB   ASP  35          3HB       ASP  35  -9.216  -1.820  -6.333
  244    H    ASP  36           HN       ASP  36  -8.226   2.090  -6.791
  245    HA   ASP  36           HA       ASP  36  -7.175   1.381  -9.391
  246   1HB   ASP  36          2HB       ASP  36  -8.521   3.572  -8.233
  247   2HB   ASP  36          3HB       ASP  36  -6.995   4.131  -8.942
  248    H    TRP  37           HN       TRP  37  -5.859   2.179  -6.283
  249    HA   TRP  37           HA       TRP  37  -3.345   3.328  -7.170
  250   1HB   TRP  37          2HB       TRP  37  -4.201   3.742  -4.908
  251   2HB   TRP  37          3HB       TRP  37  -4.202   2.013  -4.592
  252    HD1  TRP  37           HD       TRP  37  -1.619   4.838  -4.927
  253    HE1  TRP  37           HNE      TRP  37   0.551   4.062  -3.659
  254    HE3  TRP  37           HE       TRP  37  -2.910   0.044  -3.947
  255    HZ2  TRP  37           HZ1      TRP  37   1.516   1.715  -2.414
  256    HZ3  TRP  37           HZ2      TRP  37  -1.351  -1.484  -2.695
  257    HH2  TRP  37           HH       TRP  37   0.854  -0.646  -1.935
  258    H    VAL  38           HN       VAL  38  -1.267   2.250  -6.863
  259    HA   VAL  38           HA       VAL  38  -1.282  -0.675  -7.316
  260    HB   VAL  38           HB       VAL  38  -1.574   0.383  -9.494
  261   1HG1  VAL  38          3HG1      VAL  38  -0.619   2.629  -9.077
  262   2HG1  VAL  38          1HG1      VAL  38   1.007   1.924  -8.943
  263   3HG1  VAL  38          2HG1      VAL  38   0.130   1.860 -10.481
  264   1HG2  VAL  38          3HG2      VAL  38  -0.139  -1.635  -9.253
  265   2HG2  VAL  38          1HG2      VAL  38   0.284  -0.620 -10.649
  266   3HG2  VAL  38          2HG2      VAL  38   1.286  -0.560  -9.184
  267    H    CYS  39           HN       CYN  39   0.636  -1.696  -6.736
  268    HA   CYS  39           HA       CYN  39   2.200  -0.437  -4.755
  269   1HB   CYS  39          2HB       CYN  39   1.738  -2.794  -4.745
  270   2HB   CYS  39          3HB       CYN  39   2.616  -3.016  -6.269
  271    HA   PRO  40           HA       PRO  40   4.904   1.708  -7.597
  272   1HB   PRO  40          2HB       PRO  40   6.859   2.596  -5.870
  273   2HB   PRO  40          3HB       PRO  40   5.207   3.278  -5.939
  274   1HG   PRO  40          2HG       PRO  40   6.244   1.150  -4.053
  275   2HG   PRO  40          3HG       PRO  40   5.344   2.638  -3.628
  276   1HD   PRO  40          2HD       PRO  40   4.110   0.260  -3.869
  277   2HD   PRO  40          3HD       PRO  40   3.318   1.736  -4.508
  278    H    LEU  41           HN       LEU  41   6.478   1.026  -8.935
  279    HA   LEU  41           HA       LEU  41   8.083  -0.238  -9.902
  280   1HB   LEU  41          2HB       LEU  41   9.303  -0.503  -7.127
  281   2HB   LEU  41          3HB       LEU  41  10.121  -0.687  -8.676
  282    HG   LEU  41           HG       LEU  41   8.946   1.907  -7.578
  283   1HD1  LEU  41          2HD1      LEU  41  10.992   1.136  -6.428
  284   2HD1  LEU  41          3HD1      LEU  41  11.827   1.008  -7.990
  285   3HD1  LEU  41          1HD1      LEU  41  11.297   2.593  -7.391
  286   1HD2  LEU  41          3HD2      LEU  41  10.469   1.341 -10.166
  287   2HD2  LEU  41          1HD2      LEU  41   8.797   1.935 -10.029
  288   3HD2  LEU  41          2HD2      LEU  41  10.139   2.960  -9.514
  289    H    CYS  42           HN       CYN  42   5.671  -1.574  -8.877
  290    HA   CYS  42           HA       CYN  42   6.655  -4.393  -8.990
  291   1HB   CYS  42          2HB       CYN  42   6.377  -3.918  -6.695
  292   2HB   CYS  42          3HB       CYN  42   4.880  -3.030  -6.989
  293    H    GLY  43           HN       GLY  43   3.538  -2.587  -8.671
  294   1HA   GLY  43          2HA       GLY  43   1.878  -2.383 -10.279
  295   2HA   GLY  43          3HA       GLY  43   2.802  -3.331 -11.412
  296    H    VAL  44           HN       VAL  44   2.277  -4.886  -8.283
  297    HA   VAL  44           HA       VAL  44   0.829  -6.932  -9.625
  298    HB   VAL  44           HB       VAL  44   2.364  -7.350  -7.801
  299   1HG1  VAL  44          2HG1      VAL  44   1.606  -5.498  -6.229
  300   2HG1  VAL  44          3HG1      VAL  44   0.192  -6.503  -5.836
  301   3HG1  VAL  44          1HG1      VAL  44   1.820  -7.093  -5.500
  302   1HG2  VAL  44          3HG2      VAL  44   0.665  -9.013  -8.529
  303   2HG2  VAL  44          1HG2      VAL  44   1.123  -9.189  -6.832
  304   3HG2  VAL  44          2HG2      VAL  44  -0.428  -8.437  -7.251
  305    H    GLY  45           HN       GLY  45  -0.400  -4.663  -7.060
  306   1HA   GLY  45          2HA       GLY  45  -2.940  -4.114  -7.920
  307   2HA   GLY  45          3HA       GLY  45  -3.063  -5.769  -7.276
  308    H    LYS  46           HN       LYS  46  -4.360  -5.027  -5.475
  309    HA   LYS  46           HA       LYS  46  -2.635  -4.419  -3.223
  310   1HB   LYS  46          2HB       LYS  46  -3.713  -2.566  -2.317
  311   2HB   LYS  46          3HB       LYS  46  -3.246  -2.179  -3.971
  312   1HG   LYS  46          2HG       LYS  46  -5.402  -1.949  -4.717
  313   2HG   LYS  46          3HG       LYS  46  -6.127  -3.004  -3.499
  314   1HD   LYS  46          2HD       LYS  46  -4.822  -0.370  -2.777
  315   2HD   LYS  46          3HD       LYS  46  -6.491  -0.455  -3.228
  316   1HE   LYS  46          2HE       LYS  46  -5.973  -2.500  -1.206
  317   2HE   LYS  46          3HE       LYS  46  -5.419  -0.955  -0.646
  318   1HZ   LYS  46          1HNZ      LYS  46  -8.112  -1.436  -1.794
  319   2HZ   LYS  46          2HNZ      LYS  46  -7.784  -1.309  -0.155
  320   3HZ   LYS  46          3HNZ      LYS  46  -7.625  -0.025  -1.151
  321    H    ASP  47           HN       ASP  47  -4.188  -6.530  -4.281
  322    HA   ASP  47           HA       ASP  47  -6.608  -6.828  -2.804
  323   1HB   ASP  47          2HB       ASP  47  -5.180  -8.787  -4.662
  324   2HB   ASP  47          3HB       ASP  47  -6.902  -8.723  -4.269
  325    H    GLN  48           HN       GLN  48  -3.564  -8.639  -2.966
  326    HA   GLN  48           HA       GLN  48  -4.250 -10.332  -0.606
  327   1HB   GLN  48          2HB       GLN  48  -2.085 -10.367  -2.728
  328   2HB   GLN  48          3HB       GLN  48  -2.084 -11.477  -1.348
  329   1HG   GLN  48          2HG       GLN  48  -4.503 -11.275  -3.191
  330   2HG   GLN  48          3HG       GLN  48  -3.103 -12.252  -3.628
  331   1HE2  GLN  48          2HNE      GLN  48  -3.651 -14.765  -1.154
  332   2HE2  GLN  48          1HNE      GLN  48  -2.422 -14.005  -2.151
  333    H    PHE  49           HN       PHE  49  -4.181  -8.167   0.606
  334    HA   PHE  49           HA       PHE  49  -1.400  -7.291   1.259
  335   1HB   PHE  49          2HB       PHE  49  -2.377  -5.279   2.158
  336   2HB   PHE  49          3HB       PHE  49  -2.787  -5.525   0.475
  337    HD1  PHE  49           HD2      PHE  49  -5.124  -6.419  -0.119
  338    HD2  PHE  49           HD1      PHE  49  -4.149  -4.531   3.572
  339    HE1  PHE  49           HE2      PHE  49  -7.523  -6.069   0.323
  340    HE2  PHE  49           HE1      PHE  49  -6.532  -4.248   4.101
  341    HZ   PHE  49           HZ       PHE  49  -8.249  -4.988   2.453
  342    H    GLU  50           HN       GLU  50  -0.544  -8.224   3.050
  343    HA   GLU  50           HA       GLU  50  -2.371  -9.209   5.207
  344   1HB   GLU  50          2HB       GLU  50   0.449  -9.957   4.372
  345   2HB   GLU  50          3HB       GLU  50  -0.132 -10.227   5.991
  346   1HG   GLU  50          2HG       GLU  50  -2.054 -11.548   4.975
  347   2HG   GLU  50          3HG       GLU  50  -1.349 -11.269   3.373
  348    H    GLU  51           HN       GLU  51  -2.022  -8.429   7.325
  349    HA   GLU  51           HA       GLU  51  -0.993  -5.739   7.456
  350   1HB   GLU  51          2HB       GLU  51  -3.090  -6.345   8.571
  351   2HB   GLU  51          3HB       GLU  51  -2.283  -7.653   9.462
  352   1HG   GLU  51          2HG       GLU  51  -0.879  -6.110  10.568
  353   2HG   GLU  51          3HG       GLU  51  -1.559  -4.711   9.702
  354    H    VAL  52           HN       VAL  52   0.888  -5.135   8.383
  355    HA   VAL  52           HA       VAL  52   2.959  -7.138   9.142
  356    HB   VAL  52           HB       VAL  52   2.891  -4.283   8.113
  357   1HG1  VAL  52          3HG1      VAL  52   5.215  -5.706   9.437
  358   2HG1  VAL  52          1HG1      VAL  52   5.373  -4.269   8.390
  359   3HG1  VAL  52          2HG1      VAL  52   4.439  -4.159   9.884
  360   1HG2  VAL  52          1HG2      VAL  52   2.883  -6.221   6.534
  361   2HG2  VAL  52          2HG2      VAL  52   4.214  -5.050   6.372
  362   3HG2  VAL  52          3HG2      VAL  52   4.499  -6.640   7.136
  363    H    GLU  53           HN       GLU  53   2.671  -7.624  11.255
  364    HA   GLU  53           HA       GLU  53   1.394  -5.849  13.045
  365   1HB   GLU  53          2HB       GLU  53   1.774  -7.640  14.628
  366   2HB   GLU  53          3HB       GLU  53   0.952  -8.176  13.157
  367   1HG   GLU  53          2HG       GLU  53   3.053  -9.217  12.361
  368   2HG   GLU  53          3HG       GLU  53   3.922  -8.587  13.771
  369    H    GLU  54           HN       GLU  54   3.307  -4.408  12.289
  370    HA   GLU  54           HA       GLU  54   4.965  -3.952  14.720
  371   1HB   GLU  54          2HB       GLU  54   4.694  -2.187  12.257
  372   2HB   GLU  54          3HB       GLU  54   5.822  -2.011  13.608
  373   1HG   GLU  54          2HG       GLU  54   6.760  -4.327  12.951
  374   2HG   GLU  54          3HG       GLU  54   5.810  -4.234  11.506
   
  No H/Q in entry =         374
  Start of MODEL    7
    1   1H    MET   1          1HN       MET   1  -5.448  -1.145   9.353
    2   2H    MET   1          2HN       MET   1  -6.432   0.219   9.244
    3   3H    MET   1          3HN       MET   1  -5.275  -0.035   8.174
    4    HA   MET   1           HA       MET   1  -4.950   0.556  11.055
    5   1HB   MET   1          2HB       MET   1  -3.280   2.352  10.167
    6   2HB   MET   1          3HB       MET   1  -3.906   1.953   8.572
    7   1HG   MET   1          2HG       MET   1  -6.052   2.586   9.276
    8   2HG   MET   1          3HG       MET   1  -5.624   2.775  10.960
    9   1HE   MET   1          3HE       MET   1  -3.326   4.502  11.434
   10   2HE   MET   1          1HE       MET   1  -3.972   6.151  11.264
   11   3HE   MET   1          2HE       MET   1  -4.951   4.897  12.051
   12    H    LYS   2           HN       LYS   2  -2.275   1.001  11.102
   13    HA   LYS   2           HA       LYS   2  -0.209   0.125  11.217
   14   1HB   LYS   2          2HB       LYS   2  -1.387  -2.630  10.910
   15   2HB   LYS   2          3HB       LYS   2   0.086  -2.127  11.763
   16   1HG   LYS   2          2HG       LYS   2  -1.430  -0.780  13.332
   17   2HG   LYS   2          3HG       LYS   2  -2.805  -1.600  12.545
   18   1HD   LYS   2          2HD       LYS   2  -1.122  -3.704  12.995
   19   2HD   LYS   2          3HD       LYS   2  -0.743  -2.680  14.393
   20   1HE   LYS   2          2HE       LYS   2  -3.122  -2.713  15.065
   21   2HE   LYS   2          3HE       LYS   2  -3.574  -3.453  13.507
   22   1HZ   LYS   2          3HNZ      LYS   2  -1.845  -4.851  15.410
   23   2HZ   LYS   2          1HNZ      LYS   2  -3.481  -5.082  15.275
   24   3HZ   LYS   2          2HNZ      LYS   2  -2.511  -5.370  13.980
   25    H    LYS   3           HN       LYS   3   1.383  -1.505  10.136
   26    HA   LYS   3           HA       LYS   3   1.440  -0.593   7.380
   27   1HB   LYS   3          2HB       LYS   3   3.373  -2.283   8.990
   28   2HB   LYS   3          3HB       LYS   3   3.692  -1.504   7.436
   29   1HG   LYS   3          2HG       LYS   3   3.231   0.716   8.475
   30   2HG   LYS   3          3HG       LYS   3   2.932  -0.081  10.013
   31   1HD   LYS   3          2HD       LYS   3   5.174  -1.137   9.953
   32   2HD   LYS   3          3HD       LYS   3   5.609  -0.108   8.573
   33   1HE   LYS   3          2HE       LYS   3   5.556   1.864   9.906
   34   2HE   LYS   3          3HE       LYS   3   4.471   1.146  11.108
   35   1HZ   LYS   3          3HNZ      LYS   3   7.252   0.261  10.819
   36   2HZ   LYS   3          1HNZ      LYS   3   6.698   1.362  11.931
   37   3HZ   LYS   3          2HNZ      LYS   3   6.136  -0.147  11.963
   38    H    TYR   4           HN       TYR   4   2.109  -2.115   5.703
   39    HA   TYR   4           HA       TYR   4   0.971  -4.846   6.008
   40   1HB   TYR   4          2HB       TYR   4  -0.002  -2.818   3.997
   41   2HB   TYR   4          3HB       TYR   4  -0.202  -4.537   3.728
   42    HD1  TYR   4           HD2      TYR   4  -1.242  -1.736   5.955
   43    HD2  TYR   4           HD1      TYR   4  -1.926  -5.782   4.724
   44    HE1  TYR   4           HE2      TYR   4  -3.174  -1.868   7.472
   45    HE2  TYR   4           HE1      TYR   4  -3.732  -6.001   6.441
   46    HH   TYR   4           HOH      TYR   4  -4.070  -4.295   9.029
   47    H    THR   5           HN       THR   5   1.870  -6.399   4.670
   48    HA   THR   5           HA       THR   5   4.195  -5.611   2.998
   49    HB   THR   5           HB       THR   5   2.907  -8.357   3.207
   50    HG1  THR   5           HG1      THR   5   3.458  -7.714   5.262
   51   1HG2  THR   5          1HG2      THR   5   5.732  -7.435   2.494
   52   2HG2  THR   5          2HG2      THR   5   5.224  -9.119   2.741
   53   3HG2  THR   5          3HG2      THR   5   4.564  -8.196   1.390
   54    H    CYS   6           HN       CYN   6   4.349  -5.842   0.654
   55    HA   CYS   6           HA       CYN   6   1.930  -5.372  -0.849
   56   1HB   CYS   6          2HB       CYN   6   4.180  -4.577  -1.499
   57   2HB   CYS   6          3HB       CYN   6   4.668  -6.252  -1.775
   58    H    THR   7           HN       THR   7   1.540  -6.877  -2.817
   59    HA   THR   7           HA       THR   7   0.528  -9.340  -1.733
   60    HB   THR   7           HB       THR   7  -0.572  -7.751  -3.378
   61    HG1  THR   7           HG1      THR   7  -1.574  -9.571  -2.991
   62   1HG2  THR   7          3HG2      THR   7   1.289  -7.630  -5.070
   63   2HG2  THR   7          1HG2      THR   7   0.884  -9.307  -5.517
   64   3HG2  THR   7          2HG2      THR   7  -0.313  -8.038  -5.717
   65    H    VAL   8           HN       VAL   8   3.171  -8.524  -4.043
   66    HA   VAL   8           HA       VAL   8   4.291 -11.243  -3.614
   67    HB   VAL   8           HB       VAL   8   4.721 -11.560  -6.008
   68   1HG1  VAL   8          3HG1      VAL   8   2.817 -12.671  -4.970
   69   2HG1  VAL   8          1HG1      VAL   8   1.753 -11.334  -5.438
   70   3HG1  VAL   8          2HG1      VAL   8   2.546 -12.311  -6.682
   71   1HG2  VAL   8          2HG2      VAL   8   4.651  -9.247  -6.815
   72   2HG2  VAL   8          3HG2      VAL   8   3.518 -10.265  -7.713
   73   3HG2  VAL   8          1HG2      VAL   8   2.918  -9.147  -6.477
   74    H    CYS   9           HN       CYN   9   5.071  -8.436  -2.744
   75    HA   CYS   9           HA       CYN   9   7.848  -9.017  -3.184
   76   1HB   CYS   9          2HB       CYN   9   8.576  -6.916  -4.007
   77   2HB   CYS   9          3HB       CYN   9   7.344  -7.510  -5.119
   78    H    GLY  10           HN       GLY  10   8.810  -6.666  -1.934
   79   1HA   GLY  10          2HA       GLY  10   7.800  -7.110   0.828
   80   2HA   GLY  10          3HA       GLY  10   9.243  -6.208   0.352
   81    H    TYR  11           HN       TYR  11   8.978  -4.213  -0.730
   82    HA   TYR  11           HA       TYR  11   8.461  -2.032  -0.060
   83   1HB   TYR  11          2HB       TYR  11   6.603  -2.924  -2.274
   84   2HB   TYR  11          3HB       TYR  11   6.789  -1.244  -1.794
   85    HD1  TYR  11           HD2      TYR  11   8.751  -4.173  -3.075
   86    HD2  TYR  11           HD1      TYR  11   8.554   0.106  -2.583
   87    HE1  TYR  11           HE2      TYR  11  10.640  -3.912  -4.636
   88    HE2  TYR  11           HE1      TYR  11  10.496   0.360  -4.102
   89    HH   TYR  11           HOH      TYR  11  12.041  -2.437  -5.703
   90    H    ILE  12           HN       ILE  12   7.781  -2.747   2.141
   91    HA   ILE  12           HA       ILE  12   5.121  -3.189   2.791
   92    HB   ILE  12           HB       ILE  12   7.531  -2.300   4.362
   93   1HG1  ILE  12          2HG1      ILE  12   5.615  -4.668   4.594
   94   2HG1  ILE  12          3HG1      ILE  12   7.039  -4.668   3.552
   95   1HG2  ILE  12          2HG2      ILE  12   4.716  -2.476   5.519
   96   2HG2  ILE  12          3HG2      ILE  12   6.203  -2.412   6.483
   97   3HG2  ILE  12          1HG2      ILE  12   5.756  -1.033   5.507
   98   1HD1  ILE  12          2HD1      ILE  12   8.497  -4.348   5.535
   99   2HD1  ILE  12          3HD1      ILE  12   7.067  -4.450   6.590
  100   3HD1  ILE  12          1HD1      ILE  12   7.532  -5.837   5.602
  101    H    TYR  13           HN       TYR  13   3.381  -2.008   2.837
  102    HA   TYR  13           HA       TYR  13   3.419   0.873   2.288
  103   1HB   TYR  13          2HB       TYR  13   1.687  -0.588   1.362
  104   2HB   TYR  13          3HB       TYR  13   1.226  -1.098   2.996
  105    HD1  TYR  13           HD2      TYR  13   0.036   0.466   4.528
  106    HD2  TYR  13           HD1      TYR  13   0.711   1.374   0.405
  107    HE1  TYR  13           HE2      TYR  13  -1.504   2.393   4.672
  108    HE2  TYR  13           HE1      TYR  13  -0.324   3.635   0.732
  109    HH   TYR  13           HOH      TYR  13  -2.289   4.346   3.654
  110    H    ASN  14           HN       ASN  14   3.131   2.457   3.836
  111    HA   ASN  14           HA       ASN  14   2.629   1.652   6.659
  112   1HB   ASN  14          2HB       ASN  14   5.030   2.188   6.301
  113   2HB   ASN  14          3HB       ASN  14   4.572   3.781   5.694
  114   1HD2  ASN  14          2HND      ASN  14   5.353   4.299   9.238
  115   2HD2  ASN  14          1HND      ASN  14   6.064   4.301   7.671
  116    HA   PRO  15           HA       PRO  15  -0.666   4.364   5.510
  117   1HB   PRO  15          2HB       PRO  15  -2.115   4.320   7.915
  118   2HB   PRO  15          3HB       PRO  15  -2.251   3.095   6.640
  119   1HG   PRO  15          2HG       PRO  15  -0.763   2.940   9.218
  120   2HG   PRO  15          3HG       PRO  15  -1.550   1.661   8.249
  121   1HD   PRO  15          2HD       PRO  15   1.187   2.201   8.386
  122   2HD   PRO  15          3HD       PRO  15   0.479   1.234   7.103
  123    H    GLU  16           HN       GLU  16   1.123   4.766   8.572
  124    HA   GLU  16           HA       GLU  16   0.243   7.391   9.112
  125   1HB   GLU  16          2HB       GLU  16   2.890   6.006   9.689
  126   2HB   GLU  16          3HB       GLU  16   2.327   7.516  10.402
  127   1HG   GLU  16          2HG       GLU  16   0.213   6.195  11.136
  128   2HG   GLU  16          3HG       GLU  16   1.114   4.726  10.723
  129    H    ASP  17           HN       ASP  17   2.535   6.123   6.802
  130    HA   ASP  17           HA       ASP  17   3.601   8.839   6.113
  131   1HB   ASP  17          2HB       ASP  17   4.375   6.013   5.370
  132   2HB   ASP  17          3HB       ASP  17   5.014   7.428   4.526
  133    H    GLY  18           HN       GLY  18   1.456   6.262   4.964
  134   1HA   GLY  18          2HA       GLY  18   0.082   6.115   3.218
  135   2HA   GLY  18          3HA       GLY  18   0.288   7.848   2.880
  136    H    ASP  19           HN       ASP  19   0.380   7.307   0.634
  137    HA   ASP  19           HA       ASP  19   3.110   6.855  -0.328
  138   1HB   ASP  19          2HB       ASP  19   0.891   4.932  -0.821
  139   2HB   ASP  19          3HB       ASP  19   1.639   5.502  -2.296
  140    HA   PRO  20           HA       PRO  20   0.244  10.343  -1.565
  141   1HB   PRO  20          2HB       PRO  20   1.979  12.472  -1.180
  142   2HB   PRO  20          3HB       PRO  20   0.896  11.782   0.065
  143   1HG   PRO  20          2HG       PRO  20   3.826  11.190  -0.388
  144   2HG   PRO  20          3HG       PRO  20   2.996  11.506   1.163
  145   1HD   PRO  20          2HD       PRO  20   3.556   8.987   0.373
  146   2HD   PRO  20          3HD       PRO  20   1.993   9.355   1.157
  147    H    ASP  21           HN       ASP  21   3.704   9.867  -2.487
  148    HA   ASP  21           HA       ASP  21   3.778  11.344  -4.819
  149   1HB   ASP  21          2HB       ASP  21   5.095   8.667  -4.143
  150   2HB   ASP  21          3HB       ASP  21   5.660   9.849  -5.327
  151    H    ASN  22           HN       ASN  22   2.310   8.262  -4.107
  152    HA   ASN  22           HA       ASN  22   1.802   7.568  -6.940
  153   1HB   ASN  22          2HB       ASN  22   1.075   6.054  -4.413
  154   2HB   ASN  22          3HB       ASN  22   1.089   5.424  -6.053
  155   1HD2  ASN  22          2HND      ASN  22   4.499   5.541  -3.802
  156   2HD2  ASN  22          1HND      ASN  22   3.143   6.527  -3.367
  157    H    GLY  23           HN       GLY  23   0.285   8.818  -4.109
  158   1HA   GLY  23          2HA       GLY  23  -1.530  10.364  -4.831
  159   2HA   GLY  23          3HA       GLY  23  -2.368   8.960  -5.503
  160    H    VAL  24           HN       VAL  24  -0.802   7.987  -2.651
  161    HA   VAL  24           HA       VAL  24  -3.440   7.948  -1.258
  162    HB   VAL  24           HB       VAL  24  -0.928   6.286  -1.066
  163   1HG1  VAL  24          2HG1      VAL  24  -3.507   6.131   0.519
  164   2HG1  VAL  24          3HG1      VAL  24  -2.317   4.822   0.424
  165   3HG1  VAL  24          1HG1      VAL  24  -1.860   6.368   1.160
  166   1HG2  VAL  24          2HG2      VAL  24  -2.395   5.880  -3.060
  167   2HG2  VAL  24          3HG2      VAL  24  -2.349   4.497  -1.951
  168   3HG2  VAL  24          1HG2      VAL  24  -3.759   5.580  -1.967
  169    H    ASN  25           HN       ASN  25  -3.699   9.516   0.214
  170    HA   ASN  25           HA       ASN  25  -1.528  11.140   1.129
  171   1HB   ASN  25          2HB       ASN  25  -4.475  10.877   1.842
  172   2HB   ASN  25          3HB       ASN  25  -3.418  11.878   2.824
  173   1HD2  ASN  25          2HND      ASN  25  -4.093  13.092  -1.060
  174   2HD2  ASN  25          1HND      ASN  25  -4.233  11.391  -0.696
  175    HA   PRO  26           HA       PRO  26  -0.252   8.938   4.809
  176   1HB   PRO  26          2HB       PRO  26   0.100  11.007   6.635
  177   2HB   PRO  26          3HB       PRO  26   1.281  10.477   5.417
  178   1HG   PRO  26          2HG       PRO  26  -0.638  12.791   5.272
  179   2HG   PRO  26          3HG       PRO  26   1.065  12.690   4.708
  180   1HD   PRO  26          2HD       PRO  26  -1.076  12.491   3.012
  181   2HD   PRO  26          3HD       PRO  26   0.446  11.593   2.734
  182    H    GLY  27           HN       GLY  27  -1.090   8.182   6.647
  183   1HA   GLY  27          2HA       GLY  27  -2.632   7.602   8.212
  184   2HA   GLY  27          3HA       GLY  27  -3.498   9.129   7.962
  185    H    THR  28           HN       THR  28  -2.928   7.129   5.005
  186    HA   THR  28           HA       THR  28  -5.835   6.648   5.002
  187    HB   THR  28           HB       THR  28  -3.645   6.223   2.924
  188    HG1  THR  28           HG1      THR  28  -4.056   8.368   3.102
  189   1HG2  THR  28          1HG2      THR  28  -6.661   5.903   2.834
  190   2HG2  THR  28          2HG2      THR  28  -5.630   5.967   1.387
  191   3HG2  THR  28          3HG2      THR  28  -5.419   4.654   2.563
  192    H    ASP  29           HN       ASP  29  -6.575   4.841   5.784
  193    HA   ASP  29           HA       ASP  29  -4.999   2.605   6.583
  194   1HB   ASP  29          2HB       ASP  29  -7.381   3.256   7.286
  195   2HB   ASP  29          3HB       ASP  29  -7.930   2.522   5.793
  196    H    PHE  30           HN       PHE  30  -4.389   0.846   5.494
  197    HA   PHE  30           HA       PHE  30  -4.171   0.592   2.719
  198   1HB   PHE  30          2HB       PHE  30  -3.213  -0.793   4.714
  199   2HB   PHE  30          3HB       PHE  30  -4.631  -1.817   4.504
  200    HD1  PHE  30           HD2      PHE  30  -5.015  -2.762   2.028
  201    HD2  PHE  30           HD1      PHE  30  -1.331  -1.036   3.424
  202    HE1  PHE  30           HE2      PHE  30  -3.865  -3.488  -0.043
  203    HE2  PHE  30           HE1      PHE  30  -0.149  -1.996   1.449
  204    HZ   PHE  30           HZ       PHE  30  -1.389  -3.204  -0.229
  205    H    LYS  31           HN       LYS  31  -6.981  -0.163   4.860
  206    HA   LYS  31           HA       LYS  31  -8.242  -1.713   2.736
  207   1HB   LYS  31          2HB       LYS  31 -10.131  -1.903   4.079
  208   2HB   LYS  31          3HB       LYS  31  -8.697  -2.086   5.111
  209   1HG   LYS  31          2HG       LYS  31  -8.913   0.387   5.636
  210   2HG   LYS  31          3HG       LYS  31 -10.412   0.365   4.724
  211   1HD   LYS  31          2HD       LYS  31 -11.309  -1.371   6.278
  212   2HD   LYS  31          3HD       LYS  31  -9.765  -1.362   7.145
  213   1HE   LYS  31          2HE       LYS  31 -11.471  -0.013   8.364
  214   2HE   LYS  31          3HE       LYS  31 -10.079   0.954   7.869
  215   1HZ   LYS  31          2HNZ      LYS  31 -12.646   0.908   6.423
  216   2HZ   LYS  31          3HNZ      LYS  31 -12.112   2.114   7.415
  217   3HZ   LYS  31          1HNZ      LYS  31 -11.336   1.798   6.027
  218    H    ASP  32           HN       ASP  32  -8.191   1.673   3.720
  219    HA   ASP  32           HA       ASP  32 -10.449   2.485   2.067
  220   1HB   ASP  32          2HB       ASP  32  -8.408   4.018   3.742
  221   2HB   ASP  32          3HB       ASP  32  -9.674   4.779   2.783
  222    H    ILE  33           HN       ILE  33  -6.974   1.966   1.549
  223    HA   ILE  33           HA       ILE  33  -6.388   3.823  -0.358
  224    HB   ILE  33           HB       ILE  33  -5.741   0.914  -0.218
  225   1HG1  ILE  33          2HG1      ILE  33  -4.413   3.464   0.710
  226   2HG1  ILE  33          3HG1      ILE  33  -4.979   2.208   1.729
  227   1HG2  ILE  33          1HG2      ILE  33  -5.305   1.793  -2.465
  228   2HG2  ILE  33          2HG2      ILE  33  -4.204   2.979  -1.699
  229   3HG2  ILE  33          3HG2      ILE  33  -3.897   1.221  -1.579
  230   1HD1  ILE  33          1HD1      ILE  33  -3.267   0.643   0.547
  231   2HD1  ILE  33          2HD1      ILE  33  -2.528   2.164  -0.033
  232   3HD1  ILE  33          3HD1      ILE  33  -2.679   1.835   1.701
  233    HA   PRO  34           HA       PRO  34  -9.523   2.735  -3.431
  234   1HB   PRO  34          2HB       PRO  34  -8.054   3.854  -5.624
  235   2HB   PRO  34          3HB       PRO  34  -9.399   4.599  -4.734
  236   1HG   PRO  34          2HG       PRO  34  -6.598   5.324  -4.699
  237   2HG   PRO  34          3HG       PRO  34  -7.916   6.033  -3.725
  238   1HD   PRO  34          2HD       PRO  34  -5.847   4.090  -2.891
  239   2HD   PRO  34          3HD       PRO  34  -6.934   5.070  -1.891
  240    H    ASP  35           HN       ASP  35  -9.781   0.898  -4.804
  241    HA   ASP  35           HA       ASP  35  -7.615  -0.935  -5.046
  242   1HB   ASP  35          2HB       ASP  35 -10.506  -0.731  -5.959
  243   2HB   ASP  35          3HB       ASP  35  -9.453  -2.037  -6.410
  244    H    ASP  36           HN       ASP  36  -8.383   1.815  -6.942
  245    HA   ASP  36           HA       ASP  36  -7.130   0.825  -9.367
  246   1HB   ASP  36          2HB       ASP  36  -7.326   3.129 -10.094
  247   2HB   ASP  36          3HB       ASP  36  -8.873   2.543  -9.483
  248    H    TRP  37           HN       TRP  37  -5.941   1.742  -6.275
  249    HA   TRP  37           HA       TRP  37  -3.509   3.026  -7.212
  250   1HB   TRP  37          2HB       TRP  37  -4.409   3.488  -4.993
  251   2HB   TRP  37          3HB       TRP  37  -4.287   1.783  -4.578
  252    HD1  TRP  37           HD       TRP  37  -1.918   4.761  -5.176
  253    HE1  TRP  37           HNE      TRP  37   0.275   4.272  -3.925
  254    HE3  TRP  37           HE       TRP  37  -2.844  -0.032  -3.817
  255    HZ2  TRP  37           HZ1      TRP  37   1.486   2.053  -2.509
  256    HZ3  TRP  37           HZ2      TRP  37  -1.146  -1.356  -2.524
  257    HH2  TRP  37           HH       TRP  37   1.012  -0.308  -1.877
  258    H    VAL  38           HN       VAL  38  -1.401   2.112  -7.012
  259    HA   VAL  38           HA       VAL  38  -1.167  -0.827  -7.426
  260    HB   VAL  38           HB       VAL  38  -0.326   1.434  -9.307
  261   1HG1  VAL  38          3HG1      VAL  38   1.396  -0.370  -9.289
  262   2HG1  VAL  38          1HG1      VAL  38   0.091  -1.533  -9.707
  263   3HG1  VAL  38          2HG1      VAL  38   0.541  -0.243 -10.827
  264   1HG2  VAL  38          3HG2      VAL  38  -2.320  -0.867  -9.587
  265   2HG2  VAL  38          1HG2      VAL  38  -2.686   0.869  -9.605
  266   3HG2  VAL  38          2HG2      VAL  38  -1.789   0.151 -10.939
  267    H    CYS  39           HN       CYN  39   1.088  -1.576  -7.113
  268    HA   CYS  39           HA       CYN  39   2.294  -0.144  -4.882
  269   1HB   CYS  39          2HB       CYN  39   1.975  -2.442  -4.567
  270   2HB   CYS  39          3HB       CYN  39   2.674  -2.868  -6.134
  271    HA   PRO  40           HA       PRO  40   5.161   1.809  -7.702
  272   1HB   PRO  40          2HB       PRO  40   7.111   2.686  -5.947
  273   2HB   PRO  40          3HB       PRO  40   5.499   3.420  -6.088
  274   1HG   PRO  40          2HG       PRO  40   6.407   1.330  -4.092
  275   2HG   PRO  40          3HG       PRO  40   5.542   2.862  -3.752
  276   1HD   PRO  40          2HD       PRO  40   4.239   0.503  -3.943
  277   2HD   PRO  40          3HD       PRO  40   3.507   1.990  -4.624
  278    H    LEU  41           HN       LEU  41   7.058   1.292  -8.799
  279    HA   LEU  41           HA       LEU  41   8.790   0.111  -9.607
  280   1HB   LEU  41          2HB       LEU  41   9.177  -0.572  -6.677
  281   2HB   LEU  41          3HB       LEU  41  10.096  -1.404  -7.903
  282    HG   LEU  41           HG       LEU  41  11.134   0.590  -6.766
  283   1HD1  LEU  41          1HD1      LEU  41  12.080  -0.470  -8.774
  284   2HD1  LEU  41          2HD1      LEU  41  11.064   0.545  -9.819
  285   3HD1  LEU  41          3HD1      LEU  41  12.328   1.283  -8.816
  286   1HD2  LEU  41          1HD2      LEU  41   9.249   2.177  -6.931
  287   2HD2  LEU  41          2HD2      LEU  41  10.734   2.814  -7.654
  288   3HD2  LEU  41          3HD2      LEU  41   9.437   2.222  -8.701
  289    H    CYS  42           HN       CYN  42   7.207  -2.053  -7.275
  290    HA   CYS  42           HA       CYN  42   7.454  -4.468  -8.789
  291   1HB   CYS  42          2HB       CYN  42   7.158  -4.688  -6.529
  292   2HB   CYS  42          3HB       CYN  42   5.925  -3.429  -6.455
  293    H    GLY  43           HN       GLY  43   4.588  -2.243  -8.373
  294   1HA   GLY  43          2HA       GLY  43   3.241  -1.667 -10.241
  295   2HA   GLY  43          3HA       GLY  43   3.566  -3.212 -11.019
  296    H    VAL  44           HN       VAL  44   2.079  -4.870 -10.636
  297    HA   VAL  44           HA       VAL  44  -0.390  -4.001  -9.543
  298    HB   VAL  44           HB       VAL  44   0.468  -6.784 -10.395
  299   1HG1  VAL  44          3HG1      VAL  44  -2.301  -5.604  -9.861
  300   2HG1  VAL  44          1HG1      VAL  44  -1.994  -7.161 -10.655
  301   3HG1  VAL  44          2HG1      VAL  44  -1.534  -6.933  -8.966
  302   1HG2  VAL  44          2HG2      VAL  44  -1.037  -4.544 -11.836
  303   2HG2  VAL  44          3HG2      VAL  44   0.610  -5.091 -12.214
  304   3HG2  VAL  44          1HG2      VAL  44  -0.761  -6.175 -12.476
  305    H    GLY  45           HN       GLY  45  -0.693  -3.609  -7.472
  306   1HA   GLY  45          2HA       GLY  45  -0.085  -5.661  -5.396
  307   2HA   GLY  45          3HA       GLY  45   0.294  -3.948  -5.160
  308    H    LYS  46           HN       LYS  46  -1.252  -4.290  -3.305
  309    HA   LYS  46           HA       LYS  46  -3.266  -4.248  -2.284
  310   1HB   LYS  46          2HB       LYS  46  -3.485  -2.113  -2.841
  311   2HB   LYS  46          3HB       LYS  46  -3.673  -2.389  -4.574
  312   1HG   LYS  46          2HG       LYS  46  -5.898  -2.546  -4.480
  313   2HG   LYS  46          3HG       LYS  46  -5.965  -3.420  -2.960
  314   1HD   LYS  46          2HD       LYS  46  -5.255  -0.484  -3.000
  315   2HD   LYS  46          3HD       LYS  46  -6.912  -1.046  -3.072
  316   1HE   LYS  46          2HE       LYS  46  -5.836  -2.602  -0.988
  317   2HE   LYS  46          3HE       LYS  46  -5.140  -1.026  -0.750
  318   1HZ   LYS  46          3HNZ      LYS  46  -7.537  -0.196  -1.001
  319   2HZ   LYS  46          1HNZ      LYS  46  -8.023  -1.740  -0.954
  320   3HZ   LYS  46          2HNZ      LYS  46  -7.207  -1.059   0.353
  321    H    ASP  47           HN       ASP  47  -2.862  -6.510  -2.903
  322    HA   ASP  47           HA       ASP  47  -5.500  -7.465  -2.757
  323   1HB   ASP  47          2HB       ASP  47  -5.234  -7.857  -5.207
  324   2HB   ASP  47          3HB       ASP  47  -3.738  -8.760  -4.900
  325    H    GLN  48           HN       GLN  48  -5.358  -9.637  -1.832
  326    HA   GLN  48           HA       GLN  48  -4.672 -10.823   0.053
  327   1HB   GLN  48          2HB       GLN  48  -3.784 -11.668  -2.361
  328   2HB   GLN  48          3HB       GLN  48  -2.219 -11.463  -1.583
  329   1HG   GLN  48          2HG       GLN  48  -2.787 -13.701  -1.134
  330   2HG   GLN  48          3HG       GLN  48  -3.250 -12.887   0.363
  331   1HE2  GLN  48          2HNE      GLN  48  -6.121 -14.467  -2.159
  332   2HE2  GLN  48          1HNE      GLN  48  -4.470 -14.258  -2.715
  333    H    PHE  49           HN       PHE  49  -3.922  -8.207   0.647
  334    HA   PHE  49           HA       PHE  49  -1.089  -7.987   1.231
  335   1HB   PHE  49          2HB       PHE  49  -1.913  -5.811   2.345
  336   2HB   PHE  49          3HB       PHE  49  -2.031  -5.962   0.614
  337    HD1  PHE  49           HD1      PHE  49  -4.048  -6.062   3.762
  338    HD2  PHE  49           HD2      PHE  49  -4.185  -6.096  -0.541
  339    HE1  PHE  49           HE1      PHE  49  -6.421  -5.400   3.841
  340    HE2  PHE  49           HE2      PHE  49  -6.592  -5.501  -0.462
  341    HZ   PHE  49           HZ       PHE  49  -7.703  -5.103   1.729
  342    H    GLU  50           HN       GLU  50  -0.024  -8.378   3.135
  343    HA   GLU  50           HA       GLU  50  -1.559  -9.607   5.375
  344   1HB   GLU  50          2HB       GLU  50   1.417  -9.506   4.730
  345   2HB   GLU  50          3HB       GLU  50   0.697 -10.338   6.091
  346   1HG   GLU  50          2HG       GLU  50  -0.614 -11.769   4.471
  347   2HG   GLU  50          3HG       GLU  50   0.243 -10.982   3.133
  348    H    GLU  51           HN       GLU  51  -1.540  -8.581   7.470
  349    HA   GLU  51           HA       GLU  51  -0.686  -5.808   7.546
  350   1HB   GLU  51          2HB       GLU  51  -2.779  -6.396   8.647
  351   2HB   GLU  51          3HB       GLU  51  -2.015  -7.716   9.540
  352   1HG   GLU  51          2HG       GLU  51  -0.759  -6.311  10.843
  353   2HG   GLU  51          3HG       GLU  51  -1.078  -4.851   9.873
  354    H    VAL  52           HN       VAL  52   1.054  -5.036   8.604
  355    HA   VAL  52           HA       VAL  52   3.152  -6.880   9.599
  356    HB   VAL  52           HB       VAL  52   3.071  -4.180   8.191
  357   1HG1  VAL  52          1HG1      VAL  52   5.427  -5.481   9.603
  358   2HG1  VAL  52          2HG1      VAL  52   5.522  -4.068   8.518
  359   3HG1  VAL  52          3HG1      VAL  52   4.634  -3.947  10.041
  360   1HG2  VAL  52          2HG2      VAL  52   3.052  -6.176   6.784
  361   2HG2  VAL  52          3HG2      VAL  52   4.488  -5.153   6.600
  362   3HG2  VAL  52          1HG2      VAL  52   4.597  -6.687   7.506
  363    H    GLU  53           HN       GLU  53   2.723  -7.005  11.787
  364    HA   GLU  53           HA       GLU  53   1.399  -4.897  13.211
  365   1HB   GLU  53          2HB       GLU  53   1.518  -6.445  15.024
  366   2HB   GLU  53          3HB       GLU  53   0.787  -7.142  13.573
  367   1HG   GLU  53          2HG       GLU  53   2.947  -8.383  13.153
  368   2HG   GLU  53          3HG       GLU  53   3.591  -7.716  14.653
  369    H    GLU  54           HN       GLU  54   3.419  -3.615  12.419
  370    HA   GLU  54           HA       GLU  54   4.798  -2.801  14.837
  371   1HB   GLU  54          2HB       GLU  54   7.088  -2.896  13.845
  372   2HB   GLU  54          3HB       GLU  54   6.425  -4.491  14.217
  373   1HG   GLU  54          2HG       GLU  54   5.970  -4.951  11.904
  374   2HG   GLU  54          3HG       GLU  54   6.292  -3.263  11.441
   
  No H/Q in entry =         374
  Start of MODEL    8
    1   1H    MET   1          1HN       MET   1  -5.355  -1.147   9.033
    2   2H    MET   1          2HN       MET   1  -6.393   0.182   8.988
    3   3H    MET   1          3HN       MET   1  -5.203   0.034   7.920
    4    HA   MET   1           HA       MET   1  -4.988   0.497  10.819
    5   1HB   MET   1          2HB       MET   1  -3.246   2.321   9.934
    6   2HB   MET   1          3HB       MET   1  -4.029   2.050   8.394
    7   1HG   MET   1          2HG       MET   1  -6.110   2.742   9.362
    8   2HG   MET   1          3HG       MET   1  -5.500   2.604  11.000
    9   1HE   MET   1          3HE       MET   1  -6.024   4.613  12.147
   10   2HE   MET   1          1HE       MET   1  -6.033   6.232  11.420
   11   3HE   MET   1          2HE       MET   1  -7.112   4.966  10.782
   12    H    LYS   2           HN       LYS   2  -2.372   1.018  11.073
   13    HA   LYS   2           HA       LYS   2  -0.241   0.249  11.137
   14   1HB   LYS   2          2HB       LYS   2  -1.361  -2.535  10.897
   15   2HB   LYS   2          3HB       LYS   2   0.123  -2.013  11.717
   16   1HG   LYS   2          2HG       LYS   2  -1.322  -0.740  13.367
   17   2HG   LYS   2          3HG       LYS   2  -2.744  -1.471  12.556
   18   1HD   LYS   2          2HD       LYS   2  -1.340  -3.695  12.823
   19   2HD   LYS   2          3HD       LYS   2  -0.567  -2.834  14.154
   20   1HE   LYS   2          2HE       LYS   2  -3.595  -3.195  13.743
   21   2HE   LYS   2          3HE       LYS   2  -2.616  -4.335  14.661
   22   1HZ   LYS   2          2HNZ      LYS   2  -2.933  -1.475  15.315
   23   2HZ   LYS   2          3HNZ      LYS   2  -3.683  -2.723  16.089
   24   3HZ   LYS   2          1HNZ      LYS   2  -2.046  -2.564  16.177
   25    H    LYS   3           HN       LYS   3   1.371  -1.388  10.079
   26    HA   LYS   3           HA       LYS   3   1.409  -0.571   7.291
   27   1HB   LYS   3          2HB       LYS   3   3.313  -2.224   8.958
   28   2HB   LYS   3          3HB       LYS   3   3.640  -1.547   7.358
   29   1HG   LYS   3          2HG       LYS   3   3.239   0.750   8.244
   30   2HG   LYS   3          3HG       LYS   3   2.915   0.090   9.832
   31   1HD   LYS   3          2HD       LYS   3   5.104   0.585  10.200
   32   2HD   LYS   3          3HD       LYS   3   5.089  -1.111   9.714
   33   1HE   LYS   3          2HE       LYS   3   5.687  -0.247   7.337
   34   2HE   LYS   3          3HE       LYS   3   6.108   1.265   8.155
   35   1HZ   LYS   3          1HNZ      LYS   3   7.594  -0.069   9.599
   36   2HZ   LYS   3          2HNZ      LYS   3   7.230  -1.395   8.839
   37   3HZ   LYS   3          3HNZ      LYS   3   8.041  -0.205   7.997
   38    H    TYR   4           HN       TYR   4   2.082  -2.184   5.662
   39    HA   TYR   4           HA       TYR   4   0.744  -4.826   5.986
   40   1HB   TYR   4          2HB       TYR   4  -0.048  -2.626   4.098
   41   2HB   TYR   4          3HB       TYR   4  -0.331  -4.294   3.634
   42    HD1  TYR   4           HD2      TYR   4  -1.949  -5.680   4.702
   43    HD2  TYR   4           HD1      TYR   4  -1.380  -1.622   5.960
   44    HE1  TYR   4           HE2      TYR   4  -3.891  -5.885   6.254
   45    HE2  TYR   4           HE1      TYR   4  -3.506  -1.692   7.172
   46    HH   TYR   4           HOH      TYR   4  -5.284  -4.731   7.732
   47    H    THR   5           HN       THR   5   1.509  -6.481   4.584
   48    HA   THR   5           HA       THR   5   3.914  -5.968   3.028
   49    HB   THR   5           HB       THR   5   3.784  -8.320   2.456
   50    HG1  THR   5           HG1      THR   5   2.038  -9.552   3.058
   51   1HG2  THR   5          3HG2      THR   5   4.561  -7.637   4.770
   52   2HG2  THR   5          1HG2      THR   5   2.930  -8.023   5.368
   53   3HG2  THR   5          2HG2      THR   5   3.933  -9.293   4.655
   54    H    CYS   6           HN       CYN   6   3.992  -6.911   0.755
   55    HA   CYS   6           HA       CYN   6   1.744  -6.089  -1.007
   56   1HB   CYS   6          2HB       CYN   6   3.578  -4.665  -1.535
   57   2HB   CYS   6          3HB       CYN   6   4.754  -5.955  -1.268
   58    H    THR   7           HN       THR   7   1.797  -7.610  -2.955
   59    HA   THR   7           HA       THR   7   1.636 -10.348  -2.322
   60    HB   THR   7           HB       THR   7   1.949 -10.410  -4.960
   61    HG1  THR   7           HG1      THR   7   2.780  -8.152  -4.981
   62   1HG2  THR   7          3HG2      THR   7  -0.334  -8.889  -3.618
   63   2HG2  THR   7          1HG2      THR   7  -0.381  -9.613  -5.236
   64   3HG2  THR   7          2HG2      THR   7  -0.223 -10.655  -3.808
   65    H    VAL   8           HN       VAL   8   4.375  -8.449  -3.754
   66    HA   VAL   8           HA       VAL   8   6.243 -10.550  -2.887
   67    HB   VAL   8           HB       VAL   8   7.198 -10.741  -5.241
   68   1HG1  VAL   8          1HG1      VAL   8   5.917 -12.550  -4.107
   69   2HG1  VAL   8          2HG1      VAL   8   4.460 -11.990  -4.962
   70   3HG1  VAL   8          3HG1      VAL   8   5.858 -12.569  -5.874
   71   1HG2  VAL   8          3HG2      VAL   8   5.931  -8.829  -6.258
   72   2HG2  VAL   8          1HG2      VAL   8   5.761 -10.357  -7.139
   73   3HG2  VAL   8          2HG2      VAL   8   4.438  -9.784  -6.112
   74    H    CYS   9           HN       CYN   9   5.775  -7.410  -2.636
   75    HA   CYS   9           HA       CYN   9   8.609  -6.707  -3.289
   76   1HB   CYS   9          2HB       CYN   9   6.282  -4.887  -2.722
   77   2HB   CYS   9          3HB       CYN   9   7.953  -4.460  -3.094
   78    H    GLY  10           HN       GLY  10  10.009  -6.794  -1.651
   79   1HA   GLY  10          2HA       GLY  10   9.231  -6.684   1.166
   80   2HA   GLY  10          3HA       GLY  10  10.865  -6.738   0.491
   81    H    TYR  11           HN       TYR  11   8.115  -4.466   0.167
   82    HA   TYR  11           HA       TYR  11   9.897  -2.187   1.006
   83   1HB   TYR  11          2HB       TYR  11   7.467  -2.170  -0.823
   84   2HB   TYR  11          3HB       TYR  11   8.320  -0.736  -0.259
   85    HD1  TYR  11           HD1      TYR  11  11.179  -1.377  -0.590
   86    HD2  TYR  11           HD2      TYR  11   7.803  -2.139  -3.169
   87    HE1  TYR  11           HE1      TYR  11  12.690  -1.552  -2.517
   88    HE2  TYR  11           HE2      TYR  11   9.335  -2.437  -5.076
   89    HH   TYR  11           HOH      TYR  11  12.880  -1.991  -4.763
   90    H    ILE  12           HN       ILE  12   6.585  -3.461   1.122
   91    HA   ILE  12           HA       ILE  12   5.000  -3.414   2.642
   92    HB   ILE  12           HB       ILE  12   7.313  -2.812   4.464
   93   1HG1  ILE  12          2HG1      ILE  12   5.081  -4.830   4.680
   94   2HG1  ILE  12          3HG1      ILE  12   6.442  -5.080   3.584
   95   1HG2  ILE  12          3HG2      ILE  12   4.440  -2.504   5.373
   96   2HG2  ILE  12          1HG2      ILE  12   5.859  -2.601   6.426
   97   3HG2  ILE  12          2HG2      ILE  12   5.675  -1.226   5.349
   98   1HD1  ILE  12          2HD1      ILE  12   6.746  -4.673   6.587
   99   2HD1  ILE  12          3HD1      ILE  12   6.799  -6.220   5.725
  100   3HD1  ILE  12          1HD1      ILE  12   8.039  -4.991   5.410
  101    H    TYR  13           HN       TYR  13   3.287  -2.172   2.836
  102    HA   TYR  13           HA       TYR  13   3.446   0.693   2.134
  103   1HB   TYR  13          2HB       TYR  13   1.620  -0.677   1.251
  104   2HB   TYR  13          3HB       TYR  13   1.201  -1.182   2.897
  105    HD1  TYR  13           HD2      TYR  13  -0.045   0.287   4.406
  106    HD2  TYR  13           HD1      TYR  13   0.874   1.458   0.406
  107    HE1  TYR  13           HE2      TYR  13  -1.523   2.262   4.633
  108    HE2  TYR  13           HE1      TYR  13  -0.182   3.694   0.807
  109    HH   TYR  13           HOH      TYR  13  -2.252   4.319   3.672
  110    H    ASN  14           HN       ASN  14   3.127   2.350   3.637
  111    HA   ASN  14           HA       ASN  14   2.601   1.605   6.465
  112   1HB   ASN  14          2HB       ASN  14   5.006   2.170   6.097
  113   2HB   ASN  14          3HB       ASN  14   4.521   3.748   5.486
  114   1HD2  ASN  14          2HND      ASN  14   5.376   4.172   9.071
  115   2HD2  ASN  14          1HND      ASN  14   6.014   4.299   7.440
  116    HA   PRO  15           HA       PRO  15  -0.633   4.414   5.388
  117   1HB   PRO  15          2HB       PRO  15  -2.080   4.343   7.791
  118   2HB   PRO  15          3HB       PRO  15  -2.250   3.143   6.495
  119   1HG   PRO  15          2HG       PRO  15  -0.782   2.870   9.058
  120   2HG   PRO  15          3HG       PRO  15  -1.590   1.659   8.018
  121   1HD   PRO  15          2HD       PRO  15   1.168   2.139   8.206
  122   2HD   PRO  15          3HD       PRO  15   0.443   1.220   6.893
  123    H    GLU  16           HN       GLU  16   1.183   4.709   8.470
  124    HA   GLU  16           HA       GLU  16   0.295   7.353   9.004
  125   1HB   GLU  16          2HB       GLU  16   2.869   5.910   9.738
  126   2HB   GLU  16          3HB       GLU  16   2.321   7.454  10.371
  127   1HG   GLU  16          2HG       GLU  16   0.076   6.076  10.909
  128   2HG   GLU  16          3HG       GLU  16   1.172   4.688  10.834
  129    H    ASP  17           HN       ASP  17   2.619   6.047   6.774
  130    HA   ASP  17           HA       ASP  17   3.782   8.717   6.094
  131   1HB   ASP  17          2HB       ASP  17   4.299   5.901   5.104
  132   2HB   ASP  17          3HB       ASP  17   5.126   7.333   4.494
  133    H    GLY  18           HN       GLY  18   1.518   6.233   4.946
  134   1HA   GLY  18          2HA       GLY  18   0.177   6.077   3.198
  135   2HA   GLY  18          3HA       GLY  18   0.356   7.806   2.859
  136    H    ASP  19           HN       ASP  19   0.460   7.194   0.617
  137    HA   ASP  19           HA       ASP  19   3.204   6.754  -0.319
  138   1HB   ASP  19          2HB       ASP  19   0.962   4.835  -0.849
  139   2HB   ASP  19          3HB       ASP  19   1.859   5.332  -2.266
  140    HA   PRO  20           HA       PRO  20   0.383  10.182  -1.782
  141   1HB   PRO  20          2HB       PRO  20   2.114  12.315  -1.393
  142   2HB   PRO  20          3HB       PRO  20   0.934  11.702  -0.192
  143   1HG   PRO  20          2HG       PRO  20   3.889  11.101  -0.392
  144   2HG   PRO  20          3HG       PRO  20   2.929  11.449   1.077
  145   1HD   PRO  20          2HD       PRO  20   3.598   8.915   0.376
  146   2HD   PRO  20          3HD       PRO  20   2.001   9.275   1.085
  147    H    ASP  21           HN       ASP  21   3.838   9.506  -2.494
  148    HA   ASP  21           HA       ASP  21   4.084  10.942  -4.872
  149   1HB   ASP  21          2HB       ASP  21   5.312   8.325  -3.867
  150   2HB   ASP  21          3HB       ASP  21   5.894   9.237  -5.262
  151    H    ASN  22           HN       ASN  22   2.475   7.938  -4.097
  152    HA   ASN  22           HA       ASN  22   2.085   7.177  -6.941
  153   1HB   ASN  22          2HB       ASN  22   1.319   5.686  -4.418
  154   2HB   ASN  22          3HB       ASN  22   1.348   5.037  -6.051
  155   1HD2  ASN  22          2HND      ASN  22   4.744   5.212  -3.764
  156   2HD2  ASN  22          1HND      ASN  22   3.359   6.159  -3.343
  157    H    GLY  23           HN       GLY  23   0.477   8.433  -4.166
  158   1HA   GLY  23          2HA       GLY  23  -1.282  10.011  -4.944
  159   2HA   GLY  23          3HA       GLY  23  -2.108   8.641  -5.688
  160    H    VAL  24           HN       VAL  24  -0.619   8.014  -2.576
  161    HA   VAL  24           HA       VAL  24  -3.330   7.953  -1.278
  162    HB   VAL  24           HB       VAL  24  -0.890   6.187  -1.145
  163   1HG1  VAL  24          2HG1      VAL  24  -3.315   6.222   0.661
  164   2HG1  VAL  24          3HG1      VAL  24  -2.225   4.833   0.493
  165   3HG1  VAL  24          1HG1      VAL  24  -1.605   6.355   1.149
  166   1HG2  VAL  24          2HG2      VAL  24  -2.603   5.820  -2.978
  167   2HG2  VAL  24          3HG2      VAL  24  -2.467   4.455  -1.850
  168   3HG2  VAL  24          1HG2      VAL  24  -3.832   5.584  -1.727
  169    H    ASN  25           HN       ASN  25  -3.527   9.543   0.150
  170    HA   ASN  25           HA       ASN  25  -1.307  11.107   1.069
  171   1HB   ASN  25          2HB       ASN  25  -4.272  10.950   1.729
  172   2HB   ASN  25          3HB       ASN  25  -3.209  11.907   2.747
  173   1HD2  ASN  25          2HND      ASN  25  -3.617  13.135  -1.177
  174   2HD2  ASN  25          1HND      ASN  25  -3.718  11.426  -0.829
  175    HA   PRO  26           HA       PRO  26  -0.151   8.919   4.781
  176   1HB   PRO  26          2HB       PRO  26   0.221  10.980   6.612
  177   2HB   PRO  26          3HB       PRO  26   1.411  10.426   5.416
  178   1HG   PRO  26          2HG       PRO  26  -0.418  12.798   5.255
  179   2HG   PRO  26          3HG       PRO  26   1.278  12.611   4.686
  180   1HD   PRO  26          2HD       PRO  26  -0.922  12.497   3.017
  181   2HD   PRO  26          3HD       PRO  26   0.589  11.599   2.693
  182    H    GLY  27           HN       GLY  27  -1.016   8.193   6.625
  183   1HA   GLY  27          2HA       GLY  27  -2.586   7.662   8.187
  184   2HA   GLY  27          3HA       GLY  27  -3.418   9.202   7.906
  185    H    THR  28           HN       THR  28  -2.860   7.120   5.002
  186    HA   THR  28           HA       THR  28  -5.782   6.708   4.974
  187    HB   THR  28           HB       THR  28  -3.580   6.218   2.926
  188    HG1  THR  28           HG1      THR  28  -3.900   8.381   3.088
  189   1HG2  THR  28          2HG2      THR  28  -6.611   6.073   2.762
  190   2HG2  THR  28          3HG2      THR  28  -5.529   6.030   1.350
  191   3HG2  THR  28          1HG2      THR  28  -5.454   4.736   2.563
  192    H    ASP  29           HN       ASP  29  -6.548   4.940   5.791
  193    HA   ASP  29           HA       ASP  29  -5.058   2.624   6.520
  194   1HB   ASP  29          2HB       ASP  29  -7.388   3.357   7.300
  195   2HB   ASP  29          3HB       ASP  29  -7.995   2.707   5.795
  196    H    PHE  30           HN       PHE  30  -4.532   0.883   5.363
  197    HA   PHE  30           HA       PHE  30  -4.386   0.694   2.606
  198   1HB   PHE  30          2HB       PHE  30  -3.507  -0.778   4.590
  199   2HB   PHE  30          3HB       PHE  30  -4.922  -1.775   4.266
  200    HD1  PHE  30           HD2      PHE  30  -5.204  -2.482   1.670
  201    HD2  PHE  30           HD1      PHE  30  -1.558  -1.088   3.468
  202    HE1  PHE  30           HE2      PHE  30  -3.899  -3.379  -0.231
  203    HE2  PHE  30           HE1      PHE  30  -0.266  -2.100   1.582
  204    HZ   PHE  30           HZ       PHE  30  -1.426  -3.120  -0.258
  205    H    LYS  31           HN       LYS  31  -7.224  -0.001   4.739
  206    HA   LYS  31           HA       LYS  31  -8.565  -1.484   2.599
  207   1HB   LYS  31          2HB       LYS  31 -10.454  -1.584   3.969
  208   2HB   LYS  31          3HB       LYS  31  -9.015  -1.856   4.977
  209   1HG   LYS  31          2HG       LYS  31  -9.085   0.657   5.482
  210   2HG   LYS  31          3HG       LYS  31 -10.629   0.700   4.666
  211   1HD   LYS  31          2HD       LYS  31 -11.465  -1.035   6.262
  212   2HD   LYS  31          3HD       LYS  31  -9.873  -0.987   7.075
  213   1HE   LYS  31          2HE       LYS  31 -10.177   1.488   7.471
  214   2HE   LYS  31          3HE       LYS  31 -11.776   1.406   6.725
  215   1HZ   LYS  31          3HNZ      LYS  31 -12.443  -0.075   8.497
  216   2HZ   LYS  31          1HNZ      LYS  31 -10.937   0.017   9.178
  217   3HZ   LYS  31          2HNZ      LYS  31 -11.890   1.358   9.094
  218    H    ASP  32           HN       ASP  32  -8.375   1.874   3.672
  219    HA   ASP  32           HA       ASP  32 -10.568   2.847   2.036
  220   1HB   ASP  32          2HB       ASP  32  -8.458   4.194   3.782
  221   2HB   ASP  32          3HB       ASP  32  -9.661   5.067   2.839
  222    H    ILE  33           HN       ILE  33  -7.125   2.129   1.474
  223    HA   ILE  33           HA       ILE  33  -6.498   4.035  -0.422
  224    HB   ILE  33           HB       ILE  33  -5.889   1.121  -0.189
  225   1HG1  ILE  33          2HG1      ILE  33  -4.548   3.666   0.680
  226   2HG1  ILE  33          3HG1      ILE  33  -5.090   2.410   1.702
  227   1HG2  ILE  33          3HG2      ILE  33  -5.459   1.878  -2.473
  228   2HG2  ILE  33          1HG2      ILE  33  -4.347   3.099  -1.794
  229   3HG2  ILE  33          2HG2      ILE  33  -4.033   1.354  -1.602
  230   1HD1  ILE  33          3HD1      ILE  33  -3.376   0.857   0.531
  231   2HD1  ILE  33          1HD1      ILE  33  -2.646   2.378  -0.062
  232   3HD1  ILE  33          2HD1      ILE  33  -2.806   2.067   1.679
  233    HA   PRO  34           HA       PRO  34  -9.607   2.843  -3.510
  234   1HB   PRO  34          2HB       PRO  34  -8.185   3.922  -5.742
  235   2HB   PRO  34          3HB       PRO  34  -9.478   4.678  -4.795
  236   1HG   PRO  34          2HG       PRO  34  -6.621   5.338  -4.822
  237   2HG   PRO  34          3HG       PRO  34  -7.925   6.153  -3.912
  238   1HD   PRO  34          2HD       PRO  34  -5.941   4.213  -2.942
  239   2HD   PRO  34          3HD       PRO  34  -7.022   5.249  -1.999
  240    H    ASP  35           HN       ASP  35  -9.764   0.925  -4.745
  241    HA   ASP  35           HA       ASP  35  -7.447  -0.759  -4.877
  242   1HB   ASP  35          2HB       ASP  35 -10.399  -0.902  -5.520
  243   2HB   ASP  35          3HB       ASP  35  -9.302  -2.067  -6.196
  244    H    ASP  36           HN       ASP  36  -8.360   1.783  -6.822
  245    HA   ASP  36           HA       ASP  36  -7.221   0.935  -9.322
  246   1HB   ASP  36          2HB       ASP  36  -8.513   3.221  -8.280
  247   2HB   ASP  36          3HB       ASP  36  -6.969   3.695  -9.007
  248    H    TRP  37           HN       TRP  37  -5.918   1.784  -6.225
  249    HA   TRP  37           HA       TRP  37  -3.452   2.983  -7.144
  250   1HB   TRP  37          2HB       TRP  37  -4.397   3.500  -4.942
  251   2HB   TRP  37          3HB       TRP  37  -4.308   1.799  -4.508
  252    HD1  TRP  37           HD       TRP  37  -1.897   4.756  -5.028
  253    HE1  TRP  37           HNE      TRP  37   0.159   4.311  -3.559
  254    HE3  TRP  37           HE       TRP  37  -2.898  -0.042  -3.707
  255    HZ2  TRP  37           HZ1      TRP  37   1.238   2.138  -1.989
  256    HZ3  TRP  37           HZ2      TRP  37  -1.301  -1.324  -2.244
  257    HH2  TRP  37           HH       TRP  37   0.730  -0.224  -1.364
  258    H    VAL  38           HN       VAL  38  -1.380   2.118  -6.896
  259    HA   VAL  38           HA       VAL  38  -1.063  -0.837  -6.951
  260    HB   VAL  38           HB       VAL  38   0.091   1.172  -8.928
  261   1HG1  VAL  38          1HG1      VAL  38   0.699  -1.794  -8.589
  262   2HG1  VAL  38          2HG1      VAL  38   1.147  -0.832 -10.007
  263   3HG1  VAL  38          3HG1      VAL  38   1.846  -0.448  -8.435
  264   1HG2  VAL  38          3HG2      VAL  38  -1.760  -1.234  -9.285
  265   2HG2  VAL  38          1HG2      VAL  38  -2.223   0.472  -9.466
  266   3HG2  VAL  38          2HG2      VAL  38  -1.085  -0.255 -10.603
  267    H    CYS  39           HN       CYN  39   0.983  -1.566  -6.102
  268    HA   CYS  39           HA       CYN  39   1.895   0.252  -4.032
  269   1HB   CYS  39          2HB       CYN  39   2.443  -1.558  -2.868
  270   2HB   CYS  39          3HB       CYN  39   1.406  -2.384  -4.008
  271    HA   PRO  40           HA       PRO  40   5.268   2.001  -5.859
  272   1HB   PRO  40          2HB       PRO  40   7.390   1.948  -4.107
  273   2HB   PRO  40          3HB       PRO  40   5.897   2.901  -3.856
  274   1HG   PRO  40          2HG       PRO  40   6.554   0.180  -2.718
  275   2HG   PRO  40          3HG       PRO  40   5.912   1.610  -1.852
  276   1HD   PRO  40          2HD       PRO  40   4.317  -0.392  -2.706
  277   2HD   PRO  40          3HD       PRO  40   3.754   1.306  -2.791
  278    H    LEU  41           HN       LEU  41   6.119   1.172  -7.651
  279    HA   LEU  41           HA       LEU  41   7.447   0.070  -9.110
  280   1HB   LEU  41          2HB       LEU  41   9.130  -0.840  -6.748
  281   2HB   LEU  41          3HB       LEU  41   9.597  -0.804  -8.442
  282    HG   LEU  41           HG       LEU  41   9.029   1.622  -6.680
  283   1HD1  LEU  41          3HD1      LEU  41  11.126   0.442  -6.156
  284   2HD1  LEU  41          1HD1      LEU  41  11.608   0.510  -7.865
  285   3HD1  LEU  41          2HD1      LEU  41  11.455   2.007  -6.921
  286   1HD2  LEU  41          3HD2      LEU  41   9.892   1.425  -9.605
  287   2HD2  LEU  41          1HD2      LEU  41   8.397   2.163  -8.985
  288   3HD2  LEU  41          2HD2      LEU  41   9.959   2.909  -8.632
  289    H    CYS  42           HN       CYN  42   5.144  -1.169  -8.690
  290    HA   CYS  42           HA       CYN  42   5.855  -4.023  -8.963
  291   1HB   CYS  42          2HB       CYN  42   5.169  -3.369  -6.623
  292   2HB   CYS  42          3HB       CYN  42   3.544  -3.053  -7.273
  293    H    GLY  43           HN       GLY  43   3.521  -5.065  -9.532
  294   1HA   GLY  43          2HA       GLY  43   2.613  -3.577 -11.984
  295   2HA   GLY  43          3HA       GLY  43   2.687  -5.330 -11.802
  296    H    VAL  44           HN       VAL  44   1.337  -6.160  -9.805
  297    HA   VAL  44           HA       VAL  44  -1.399  -5.332 -10.369
  298    HB   VAL  44           HB       VAL  44  -2.071  -7.142  -8.944
  299   1HG1  VAL  44          1HG1      VAL  44  -1.397  -7.604 -11.281
  300   2HG1  VAL  44          2HG1      VAL  44   0.227  -8.054 -10.713
  301   3HG1  VAL  44          3HG1      VAL  44  -1.190  -8.995 -10.204
  302   1HG2  VAL  44          2HG2      VAL  44   0.877  -7.552  -8.253
  303   2HG2  VAL  44          3HG2      VAL  44  -0.400  -7.017  -7.140
  304   3HG2  VAL  44          1HG2      VAL  44  -0.460  -8.641  -7.832
  305    H    GLY  45           HN       GLY  45  -2.945  -5.024  -8.411
  306   1HA   GLY  45          2HA       GLY  45  -1.725  -2.873  -6.725
  307   2HA   GLY  45          3HA       GLY  45  -3.251  -2.682  -7.575
  308    H    LYS  46           HN       LYS  46  -1.828  -3.458  -4.744
  309    HA   LYS  46           HA       LYS  46  -2.465  -4.224  -2.735
  310   1HB   LYS  46          2HB       LYS  46  -5.230  -3.810  -3.895
  311   2HB   LYS  46          3HB       LYS  46  -4.851  -4.011  -2.178
  312   1HG   LYS  46          2HG       LYS  46  -3.554  -1.862  -2.342
  313   2HG   LYS  46          3HG       LYS  46  -4.002  -1.821  -4.075
  314   1HD   LYS  46          2HD       LYS  46  -5.593  -0.407  -3.104
  315   2HD   LYS  46          3HD       LYS  46  -6.420  -1.949  -3.345
  316   1HE   LYS  46          2HE       LYS  46  -5.931  -2.518  -0.923
  317   2HE   LYS  46          3HE       LYS  46  -5.293  -0.898  -0.738
  318   1HZ   LYS  46          1HNZ      LYS  46  -8.069  -1.495  -1.617
  319   2HZ   LYS  46          2HNZ      LYS  46  -7.615  -1.017  -0.062
  320   3HZ   LYS  46          3HNZ      LYS  46  -7.498  -0.019  -1.335
  321    H    ASP  47           HN       ASP  47  -5.132  -5.725  -4.516
  322    HA   ASP  47           HA       ASP  47  -6.164  -7.688  -4.183
  323   1HB   ASP  47          2HB       ASP  47  -3.521  -8.889  -5.050
  324   2HB   ASP  47          3HB       ASP  47  -5.150  -9.507  -5.292
  325    H    GLN  48           HN       GLN  48  -2.915  -8.523  -2.921
  326    HA   GLN  48           HA       GLN  48  -4.160  -9.826  -0.545
  327   1HB   GLN  48          2HB       GLN  48  -3.715 -11.571  -2.198
  328   2HB   GLN  48          3HB       GLN  48  -2.034 -11.038  -2.355
  329   1HG   GLN  48          2HG       GLN  48  -1.554 -11.670  -0.049
  330   2HG   GLN  48          3HG       GLN  48  -3.272 -11.983   0.262
  331   1HE2  GLN  48          2HNE      GLN  48  -2.762 -15.376  -0.552
  332   2HE2  GLN  48          1HNE      GLN  48  -3.446 -14.198   0.555
  333    H    PHE  49           HN       PHE  49  -3.387  -8.767   1.160
  334    HA   PHE  49           HA       PHE  49  -0.560  -7.918   1.378
  335   1HB   PHE  49          2HB       PHE  49  -1.517  -5.654   2.123
  336   2HB   PHE  49          3HB       PHE  49  -1.433  -5.971   0.406
  337    HD1  PHE  49           HD1      PHE  49  -3.473  -6.526  -0.902
  338    HD2  PHE  49           HD2      PHE  49  -3.729  -5.349   3.216
  339    HE1  PHE  49           HE1      PHE  49  -5.914  -6.138  -1.167
  340    HE2  PHE  49           HE2      PHE  49  -6.144  -4.923   2.958
  341    HZ   PHE  49           HZ       PHE  49  -7.248  -5.303   0.754
  342    H    GLU  50           HN       GLU  50   0.039  -8.779   3.311
  343    HA   GLU  50           HA       GLU  50  -1.982  -9.420   5.382
  344   1HB   GLU  50          2HB       GLU  50   0.989  -9.982   5.012
  345   2HB   GLU  50          3HB       GLU  50   0.194 -10.191   6.549
  346   1HG   GLU  50          2HG       GLU  50  -1.456 -11.756   5.479
  347   2HG   GLU  50          3HG       GLU  50  -0.641 -11.531   3.919
  348    H    GLU  51           HN       GLU  51  -1.908  -8.441   7.493
  349    HA   GLU  51           HA       GLU  51  -0.966  -5.689   7.538
  350   1HB   GLU  51          2HB       GLU  51  -3.115  -6.249   8.555
  351   2HB   GLU  51          3HB       GLU  51  -2.400  -7.582   9.468
  352   1HG   GLU  51          2HG       GLU  51  -1.190  -6.162  10.833
  353   2HG   GLU  51          3HG       GLU  51  -1.598  -4.690   9.935
  354    H    VAL  52           HN       VAL  52   0.827  -4.949   8.598
  355    HA   VAL  52           HA       VAL  52   2.789  -6.893   9.642
  356    HB   VAL  52           HB       VAL  52   2.915  -4.167   8.279
  357   1HG1  VAL  52          1HG1      VAL  52   5.096  -5.635   9.814
  358   2HG1  VAL  52          2HG1      VAL  52   5.374  -4.261   8.708
  359   3HG1  VAL  52          3HG1      VAL  52   4.425  -4.032  10.177
  360   1HG2  VAL  52          1HG2      VAL  52   2.834  -6.131   6.833
  361   2HG2  VAL  52          2HG2      VAL  52   4.358  -5.233   6.756
  362   3HG2  VAL  52          3HG2      VAL  52   4.287  -6.781   7.638
  363    H    GLU  53           HN       GLU  53   2.234  -7.069  11.790
  364    HA   GLU  53           HA       GLU  53   1.502  -4.797  13.384
  365   1HB   GLU  53          2HB       GLU  53   1.384  -6.418  15.137
  366   2HB   GLU  53          3HB       GLU  53   0.578  -7.036  13.698
  367   1HG   GLU  53          2HG       GLU  53   2.830  -8.273  13.246
  368   2HG   GLU  53          3HG       GLU  53   3.197  -7.859  14.919
  369    H    GLU  54           HN       GLU  54   3.136  -3.404  13.131
  370    HA   GLU  54           HA       GLU  54   5.305  -3.790  15.024
  371   1HB   GLU  54          2HB       GLU  54   6.979  -2.581  13.831
  372   2HB   GLU  54          3HB       GLU  54   6.463  -3.921  12.791
  373   1HG   GLU  54          2HG       GLU  54   4.984  -2.314  11.572
  374   2HG   GLU  54          3HG       GLU  54   5.625  -1.002  12.563
   
  No H/Q in entry =         374
  Start of MODEL    9
    1   1H    MET   1          1HN       MET   1  -5.988  -0.786   9.557
    2   2H    MET   1          2HN       MET   1  -6.727   0.720   9.479
    3   3H    MET   1          3HN       MET   1  -5.744   0.230   8.319
    4    HA   MET   1           HA       MET   1  -4.990   0.827  11.122
    5   1HB   MET   1          2HB       MET   1  -3.189   2.282   9.968
    6   2HB   MET   1          3HB       MET   1  -4.074   1.988   8.479
    7   1HG   MET   1          2HG       MET   1  -6.071   2.935   9.662
    8   2HG   MET   1          3HG       MET   1  -5.061   3.360  11.029
    9   1HE   MET   1          3HE       MET   1  -2.451   4.544  10.031
   10   2HE   MET   1          1HE       MET   1  -2.843   6.243   9.700
   11   3HE   MET   1          2HE       MET   1  -3.495   5.453  11.148
   12    H    LYS   2           HN       LYS   2  -2.468   0.799  11.128
   13    HA   LYS   2           HA       LYS   2  -0.535  -0.340  11.228
   14   1HB   LYS   2          2HB       LYS   2  -2.040  -2.814  10.402
   15   2HB   LYS   2          3HB       LYS   2  -0.518  -2.716  11.295
   16   1HG   LYS   2          2HG       LYS   2  -1.673  -1.673  13.214
   17   2HG   LYS   2          3HG       LYS   2  -3.241  -1.806  12.356
   18   1HD   LYS   2          2HD       LYS   2  -2.816  -4.170  11.932
   19   2HD   LYS   2          3HD       LYS   2  -1.377  -4.137  12.952
   20   1HE   LYS   2          2HE       LYS   2  -4.304  -3.678  13.745
   21   2HE   LYS   2          3HE       LYS   2  -3.344  -5.128  14.069
   22   1HZ   LYS   2          1HNZ      LYS   2  -1.880  -3.783  15.432
   23   2HZ   LYS   2          2HNZ      LYS   2  -2.800  -2.446  15.169
   24   3HZ   LYS   2          3HNZ      LYS   2  -3.427  -3.725  16.001
   25    H    LYS   3           HN       LYS   3   0.991  -1.850   9.943
   26    HA   LYS   3           HA       LYS   3   1.110  -0.690   7.246
   27   1HB   LYS   3          2HB       LYS   3   3.077  -2.358   8.857
   28   2HB   LYS   3          3HB       LYS   3   3.396  -1.549   7.318
   29   1HG   LYS   3          2HG       LYS   3   2.792   0.637   8.364
   30   2HG   LYS   3          3HG       LYS   3   2.522  -0.170   9.884
   31   1HD   LYS   3          2HD       LYS   3   5.001  -0.941   9.738
   32   2HD   LYS   3          3HD       LYS   3   5.151   0.259   8.443
   33   1HE   LYS   3          2HE       LYS   3   4.181   1.993  10.088
   34   2HE   LYS   3          3HE       LYS   3   4.237   0.741  11.334
   35   1HZ   LYS   3          3HNZ      LYS   3   6.601   0.599  10.995
   36   2HZ   LYS   3          1HNZ      LYS   3   6.560   1.826   9.897
   37   3HZ   LYS   3          2HNZ      LYS   3   6.148   2.100  11.472
   38    H    TYR   4           HN       TYR   4   1.818  -2.147   5.505
   39    HA   TYR   4           HA       TYR   4   0.727  -4.899   5.710
   40   1HB   TYR   4          2HB       TYR   4  -0.364  -2.845   3.724
   41   2HB   TYR   4          3HB       TYR   4  -0.359  -4.546   3.402
   42    HD1  TYR   4           HD1      TYR   4  -1.548  -2.208   6.144
   43    HD2  TYR   4           HD2      TYR   4  -2.148  -5.832   3.919
   44    HE1  TYR   4           HE1      TYR   4  -3.487  -2.771   7.551
   45    HE2  TYR   4           HE2      TYR   4  -4.168  -6.333   5.251
   46    HH   TYR   4           HOH      TYR   4  -5.325  -5.717   7.278
   47    H    THR   5           HN       THR   5   1.760  -6.406   4.402
   48    HA   THR   5           HA       THR   5   4.003  -5.311   2.717
   49    HB   THR   5           HB       THR   5   4.698  -6.826   4.469
   50    HG1  THR   5           HG1      THR   5   5.820  -8.238   2.938
   51   1HG2  THR   5          3HG2      THR   5   2.756  -8.334   4.595
   52   2HG2  THR   5          1HG2      THR   5   3.149  -8.982   2.978
   53   3HG2  THR   5          2HG2      THR   5   4.260  -9.225   4.335
   54    H    CYS   6           HN       CYN   6   4.328  -5.794   0.610
   55    HA   CYS   6           HA       CYN   6   2.021  -6.550  -1.042
   56   1HB   CYS   6          2HB       CYN   6   3.350  -4.568  -1.523
   57   2HB   CYS   6          3HB       CYN   6   4.795  -5.542  -1.689
   58    H    THR   7           HN       THR   7   2.540  -8.652   0.456
   59    HA   THR   7           HA       THR   7   3.054 -10.839   0.490
   60    HB   THR   7           HB       THR   7   2.679 -10.635  -2.533
   61    HG1  THR   7           HG1      THR   7   1.083  -9.463  -1.628
   62   1HG2  THR   7          2HG2      THR   7   3.201 -12.921  -1.629
   63   2HG2  THR   7          3HG2      THR   7   1.857 -12.744  -0.482
   64   3HG2  THR   7          1HG2      THR   7   1.535 -12.787  -2.229
   65    H    VAL   8           HN       VAL   8   4.632 -10.590  -2.695
   66    HA   VAL   8           HA       VAL   8   7.093 -11.834  -1.586
   67    HB   VAL   8           HB       VAL   8   5.991 -11.467  -4.402
   68   1HG1  VAL   8          2HG1      VAL   8   8.658 -12.676  -3.560
   69   2HG1  VAL   8          3HG1      VAL   8   7.911 -12.875  -5.158
   70   3HG1  VAL   8          1HG1      VAL   8   8.407 -11.271  -4.624
   71   1HG2  VAL   8          2HG2      VAL   8   4.950 -13.294  -3.082
   72   2HG2  VAL   8          3HG2      VAL   8   5.933 -13.937  -4.398
   73   3HG2  VAL   8          1HG2      VAL   8   6.557 -13.964  -2.739
   74    H    CYS   9           HN       CYN   9   5.837  -8.772  -2.800
   75    HA   CYS   9           HA       CYN   9   8.361  -7.824  -3.871
   76   1HB   CYS   9          2HB       CYN   9   6.165  -7.369  -4.853
   77   2HB   CYS   9          3HB       CYN   9   5.720  -6.580  -3.341
   78    H    GLY  10           HN       GLY  10   9.882  -6.735  -2.757
   79   1HA   GLY  10          2HA       GLY  10   9.596  -6.521   0.156
   80   2HA   GLY  10          3HA       GLY  10  11.060  -6.340  -0.816
   81    H    TYR  11           HN       TYR  11   7.983  -4.667  -0.046
   82    HA   TYR  11           HA       TYR  11   9.560  -2.120   0.038
   83   1HB   TYR  11          2HB       TYR  11   8.053  -2.570  -2.094
   84   2HB   TYR  11          3HB       TYR  11   6.764  -1.994  -1.053
   85    HD1  TYR  11           HD1      TYR  11   7.225   0.320   0.189
   86    HD2  TYR  11           HD2      TYR  11   9.454  -1.083  -3.230
   87    HE1  TYR  11           HE1      TYR  11   7.991   2.631  -0.269
   88    HE2  TYR  11           HE2      TYR  11  10.256   1.214  -3.649
   89    HH   TYR  11           HOH      TYR  11  10.092   3.428  -3.050
   90    H    ILE  12           HN       ILE  12   6.313  -3.355   0.816
   91    HA   ILE  12           HA       ILE  12   5.018  -3.237   2.597
   92    HB   ILE  12           HB       ILE  12   7.477  -2.335   4.104
   93   1HG1  ILE  12          2HG1      ILE  12   5.529  -4.634   4.444
   94   2HG1  ILE  12          3HG1      ILE  12   6.930  -4.729   3.377
   95   1HG2  ILE  12          2HG2      ILE  12   4.649  -2.373   5.219
   96   2HG2  ILE  12          3HG2      ILE  12   6.132  -2.288   6.183
   97   3HG2  ILE  12          1HG2      ILE  12   5.723  -0.960   5.125
   98   1HD1  ILE  12          2HD1      ILE  12   8.446  -4.341   5.279
   99   2HD1  ILE  12          3HD1      ILE  12   7.055  -4.314   6.390
  100   3HD1  ILE  12          1HD1      ILE  12   7.438  -5.786   5.488
  101    H    TYR  13           HN       TYR  13   3.323  -2.043   2.695
  102    HA   TYR  13           HA       TYR  13   3.422   0.854   2.092
  103   1HB   TYR  13          2HB       TYR  13   1.703  -0.421   0.954
  104   2HB   TYR  13          3HB       TYR  13   1.168  -1.151   2.468
  105    HD1  TYR  13           HD2      TYR  13   1.147   1.929   0.441
  106    HD2  TYR  13           HD1      TYR  13  -0.360  -0.024   3.892
  107    HE1  TYR  13           HE2      TYR  13  -0.104   3.999   1.026
  108    HE2  TYR  13           HE1      TYR  13  -1.646   2.039   4.526
  109    HH   TYR  13           HOH      TYR  13  -2.366   4.281   3.770
  110    H    ASN  14           HN       ASN  14   3.033   2.364   3.664
  111    HA   ASN  14           HA       ASN  14   2.443   1.489   6.452
  112   1HB   ASN  14          2HB       ASN  14   4.843   1.904   6.219
  113   2HB   ASN  14          3HB       ASN  14   4.517   3.492   5.510
  114   1HD2  ASN  14          2HND      ASN  14   5.191   4.463   8.815
  115   2HD2  ASN  14          1HND      ASN  14   6.042   3.853   7.481
  116    HA   PRO  15           HA       PRO  15  -0.732   4.349   5.344
  117   1HB   PRO  15          2HB       PRO  15  -2.230   4.330   7.679
  118   2HB   PRO  15          3HB       PRO  15  -2.313   3.076   6.439
  119   1HG   PRO  15          2HG       PRO  15  -0.763   3.067   9.033
  120   2HG   PRO  15          3HG       PRO  15  -1.642   1.723   8.255
  121   1HD   PRO  15          2HD       PRO  15   1.054   2.056   8.176
  122   2HD   PRO  15          3HD       PRO  15   0.191   1.199   6.881
  123    H    GLU  16           HN       GLU  16   1.016   4.690   8.436
  124    HA   GLU  16           HA       GLU  16   0.222   7.356   8.971
  125   1HB   GLU  16          2HB       GLU  16   2.762   5.792   9.584
  126   2HB   GLU  16          3HB       GLU  16   2.394   7.364  10.251
  127   1HG   GLU  16          2HG       GLU  16   0.093   6.252  10.973
  128   2HG   GLU  16          3HG       GLU  16   0.941   4.721  10.707
  129    H    ASP  17           HN       ASP  17   2.505   5.962   6.706
  130    HA   ASP  17           HA       ASP  17   3.664   8.626   6.022
  131   1HB   ASP  17          2HB       ASP  17   4.369   5.780   5.293
  132   2HB   ASP  17          3HB       ASP  17   5.172   7.203   4.622
  133    H    GLY  18           HN       GLY  18   1.430   6.167   4.879
  134   1HA   GLY  18          2HA       GLY  18   0.110   5.970   3.110
  135   2HA   GLY  18          3HA       GLY  18   0.328   7.676   2.714
  136    H    ASP  19           HN       ASP  19   0.480   7.127   0.504
  137    HA   ASP  19           HA       ASP  19   3.196   6.626  -0.371
  138   1HB   ASP  19          2HB       ASP  19   1.115   4.585  -0.791
  139   2HB   ASP  19          3HB       ASP  19   1.762   5.145  -2.314
  140    HA   PRO  20           HA       PRO  20   0.423  10.041  -1.915
  141   1HB   PRO  20          2HB       PRO  20   2.184  12.156  -1.564
  142   2HB   PRO  20          3HB       PRO  20   1.023  11.563  -0.338
  143   1HG   PRO  20          2HG       PRO  20   3.961  10.893  -0.606
  144   2HG   PRO  20          3HG       PRO  20   3.059  11.313   0.881
  145   1HD   PRO  20          2HD       PRO  20   3.613   8.748   0.267
  146   2HD   PRO  20          3HD       PRO  20   2.019   9.182   0.947
  147    H    ASP  21           HN       ASP  21   3.898   9.398  -2.628
  148    HA   ASP  21           HA       ASP  21   4.164  10.752  -5.018
  149   1HB   ASP  21          2HB       ASP  21   5.301   8.089  -4.031
  150   2HB   ASP  21          3HB       ASP  21   5.939   9.024  -5.385
  151    H    ASN  22           HN       ASN  22   2.450   7.822  -4.244
  152    HA   ASN  22           HA       ASN  22   2.052   7.043  -7.081
  153   1HB   ASN  22          2HB       ASN  22   1.269   5.574  -4.550
  154   2HB   ASN  22          3HB       ASN  22   1.333   4.925  -6.184
  155   1HD2  ASN  22          2HND      ASN  22   4.664   5.177  -3.791
  156   2HD2  ASN  22          1HND      ASN  22   3.238   6.063  -3.414
  157    H    GLY  23           HN       GLY  23   0.450   8.259  -4.270
  158   1HA   GLY  23          2HA       GLY  23  -1.321   9.842  -5.085
  159   2HA   GLY  23          3HA       GLY  23  -2.156   8.433  -5.749
  160    H    VAL  24           HN       VAL  24  -0.651   7.683  -2.724
  161    HA   VAL  24           HA       VAL  24  -3.330   7.800  -1.377
  162    HB   VAL  24           HB       VAL  24  -0.920   6.002  -1.138
  163   1HG1  VAL  24          2HG1      VAL  24  -3.344   6.224   0.666
  164   2HG1  VAL  24          3HG1      VAL  24  -2.307   4.786   0.584
  165   3HG1  VAL  24          1HG1      VAL  24  -1.629   6.324   1.148
  166   1HG2  VAL  24          2HG2      VAL  24  -2.745   5.633  -2.921
  167   2HG2  VAL  24          3HG2      VAL  24  -2.525   4.286  -1.775
  168   3HG2  VAL  24          1HG2      VAL  24  -3.892   5.406  -1.600
  169    H    ASN  25           HN       ASN  25  -3.514   9.456  -0.024
  170    HA   ASN  25           HA       ASN  25  -1.283  11.045   0.830
  171   1HB   ASN  25          2HB       ASN  25  -4.242  10.930   1.524
  172   2HB   ASN  25          3HB       ASN  25  -3.151  11.924   2.476
  173   1HD2  ASN  25          2HND      ASN  25  -3.658  12.987  -1.484
  174   2HD2  ASN  25          1HND      ASN  25  -3.788  11.297  -1.062
  175    HA   PRO  26           HA       PRO  26  -0.132   8.895   4.583
  176   1HB   PRO  26          2HB       PRO  26   0.318  11.017   6.336
  177   2HB   PRO  26          3HB       PRO  26   1.476  10.342   5.173
  178   1HG   PRO  26          2HG       PRO  26  -0.251  12.797   4.907
  179   2HG   PRO  26          3HG       PRO  26   1.427  12.534   4.329
  180   1HD   PRO  26          2HD       PRO  26  -0.774  12.433   2.687
  181   2HD   PRO  26          3HD       PRO  26   0.693  11.452   2.395
  182    H    GLY  27           HN       GLY  27  -1.060   8.197   6.422
  183   1HA   GLY  27          2HA       GLY  27  -2.609   7.899   8.059
  184   2HA   GLY  27          3HA       GLY  27  -3.373   9.454   7.679
  185    H    THR  28           HN       THR  28  -2.914   7.173   4.916
  186    HA   THR  28           HA       THR  28  -5.848   6.883   4.907
  187    HB   THR  28           HB       THR  28  -3.677   6.167   2.895
  188    HG1  THR  28           HG1      THR  28  -3.930   8.369   2.959
  189   1HG2  THR  28          1HG2      THR  28  -6.729   6.112   2.766
  190   2HG2  THR  28          2HG2      THR  28  -5.659   5.966   1.348
  191   3HG2  THR  28          3HG2      THR  28  -5.603   4.743   2.631
  192    H    ASP  29           HN       ASP  29  -6.649   5.180   5.846
  193    HA   ASP  29           HA       ASP  29  -5.199   2.923   6.767
  194   1HB   ASP  29          2HB       ASP  29  -7.537   3.741   7.426
  195   2HB   ASP  29          3HB       ASP  29  -8.119   2.990   5.957
  196    H    PHE  30           HN       PHE  30  -4.729   1.039   5.792
  197    HA   PHE  30           HA       PHE  30  -4.499   0.701   3.011
  198   1HB   PHE  30          2HB       PHE  30  -3.534  -0.658   5.043
  199   2HB   PHE  30          3HB       PHE  30  -5.015  -1.614   4.932
  200    HD1  PHE  30           HD2      PHE  30  -2.334  -0.118   2.864
  201    HD2  PHE  30           HD1      PHE  30  -5.106  -3.364   3.167
  202    HE1  PHE  30           HE2      PHE  30  -1.107  -1.273   1.057
  203    HE2  PHE  30           HE1      PHE  30  -4.039  -4.424   1.197
  204    HZ   PHE  30           HZ       PHE  30  -1.858  -3.480   0.365
  205    H    LYS  31           HN       LYS  31  -7.346   0.185   5.163
  206    HA   LYS  31           HA       LYS  31  -8.668  -1.459   3.155
  207   1HB   LYS  31          2HB       LYS  31 -10.602  -1.340   4.479
  208   2HB   LYS  31          3HB       LYS  31  -9.199  -1.532   5.552
  209   1HG   LYS  31          2HG       LYS  31  -9.202   1.033   5.736
  210   2HG   LYS  31          3HG       LYS  31 -10.738   0.986   4.894
  211   1HD   LYS  31          2HD       LYS  31 -11.642  -0.477   6.709
  212   2HD   LYS  31          3HD       LYS  31 -10.054  -0.416   7.496
  213   1HE   LYS  31          2HE       LYS  31 -11.601   1.211   8.575
  214   2HE   LYS  31          3HE       LYS  31 -10.219   2.018   7.828
  215   1HZ   LYS  31          3HNZ      LYS  31 -11.601   2.598   5.947
  216   2HZ   LYS  31          1HNZ      LYS  31 -12.907   1.895   6.629
  217   3HZ   LYS  31          2HNZ      LYS  31 -12.169   3.210   7.312
  218    H    ASP  32           HN       ASP  32  -8.381   1.971   3.842
  219    HA   ASP  32           HA       ASP  32 -10.586   2.786   2.110
  220   1HB   ASP  32          2HB       ASP  32  -8.567   4.289   3.838
  221   2HB   ASP  32          3HB       ASP  32  -9.836   5.070   2.916
  222    H    ILE  33           HN       ILE  33  -7.185   2.044   1.666
  223    HA   ILE  33           HA       ILE  33  -6.507   3.844  -0.287
  224    HB   ILE  33           HB       ILE  33  -5.927   0.923   0.013
  225   1HG1  ILE  33          2HG1      ILE  33  -4.600   3.504   0.872
  226   2HG1  ILE  33          3HG1      ILE  33  -5.189   2.274   1.907
  227   1HG2  ILE  33          1HG2      ILE  33  -5.425   1.679  -2.271
  228   2HG2  ILE  33          2HG2      ILE  33  -4.305   2.861  -1.540
  229   3HG2  ILE  33          3HG2      ILE  33  -4.060   1.103  -1.314
  230   1HD1  ILE  33          1HD1      ILE  33  -3.442   0.704   0.820
  231   2HD1  ILE  33          2HD1      ILE  33  -2.688   2.201   0.206
  232   3HD1  ILE  33          3HD1      ILE  33  -2.896   1.954   1.947
  233    HA   PRO  34           HA       PRO  34  -9.611   2.731  -3.392
  234   1HB   PRO  34          2HB       PRO  34  -7.956   3.668  -5.568
  235   2HB   PRO  34          3HB       PRO  34  -9.350   4.493  -4.834
  236   1HG   PRO  34          2HG       PRO  34  -6.573   5.198  -4.647
  237   2HG   PRO  34          3HG       PRO  34  -7.932   5.933  -3.756
  238   1HD   PRO  34          2HD       PRO  34  -5.914   3.989  -2.788
  239   2HD   PRO  34          3HD       PRO  34  -7.015   5.031  -1.862
  240    H    ASP  35           HN       ASP  35  -9.913   0.836  -4.666
  241    HA   ASP  35           HA       ASP  35  -7.850  -1.111  -4.723
  242   1HB   ASP  35          2HB       ASP  35 -10.720  -0.824  -5.510
  243   2HB   ASP  35          3HB       ASP  35  -9.780  -1.930  -6.477
  244    H    ASP  36           HN       ASP  36  -8.431   1.562  -6.866
  245    HA   ASP  36           HA       ASP  36  -7.099   0.364  -9.142
  246   1HB   ASP  36          2HB       ASP  36  -7.223   2.627 -10.043
  247   2HB   ASP  36          3HB       ASP  36  -8.799   2.102  -9.443
  248    H    TRP  37           HN       TRP  37  -6.013   1.594  -6.117
  249    HA   TRP  37           HA       TRP  37  -3.592   2.847  -7.059
  250   1HB   TRP  37          2HB       TRP  37  -4.531   3.403  -4.897
  251   2HB   TRP  37          3HB       TRP  37  -4.403   1.727  -4.384
  252    HD1  TRP  37           HD       TRP  37  -2.047   4.707  -5.022
  253    HE1  TRP  37           HNE      TRP  37   0.049   4.332  -3.582
  254    HE3  TRP  37           HE       TRP  37  -2.891  -0.072  -3.665
  255    HZ2  TRP  37           HZ1      TRP  37   1.190   2.202  -1.988
  256    HZ3  TRP  37           HZ2      TRP  37  -1.270  -1.328  -2.200
  257    HH2  TRP  37           HH       TRP  37   0.767  -0.176  -1.361
  258    H    VAL  38           HN       VAL  38  -1.470   2.093  -6.851
  259    HA   VAL  38           HA       VAL  38  -1.084  -0.853  -7.127
  260    HB   VAL  38           HB       VAL  38  -0.030   1.452  -8.815
  261   1HG1  VAL  38          3HG1      VAL  38   0.733  -1.491  -8.893
  262   2HG1  VAL  38          1HG1      VAL  38   1.109  -0.303 -10.163
  263   3HG1  VAL  38          2HG1      VAL  38   1.806  -0.110  -8.557
  264   1HG2  VAL  38          2HG2      VAL  38  -1.767  -0.973  -9.482
  265   2HG2  VAL  38          3HG2      VAL  38  -2.310   0.716  -9.422
  266   3HG2  VAL  38          1HG2      VAL  38  -1.158   0.210 -10.659
  267    H    CYS  39           HN       CYN  39   0.930  -1.641  -6.522
  268    HA   CYS  39           HA       CYN  39   1.998  -0.709  -4.135
  269   1HB   CYS  39          2HB       CYN  39   2.045  -3.011  -4.890
  270   2HB   CYS  39          3HB       CYN  39   3.086  -2.578  -6.252
  271    HA   PRO  40           HA       PRO  40   4.970   2.370  -5.606
  272   1HB   PRO  40          2HB       PRO  40   6.766   2.369  -3.524
  273   2HB   PRO  40          3HB       PRO  40   5.155   3.133  -3.430
  274   1HG   PRO  40          2HG       PRO  40   5.890   0.345  -2.506
  275   2HG   PRO  40          3HG       PRO  40   5.058   1.625  -1.565
  276   1HD   PRO  40          2HD       PRO  40   3.682  -0.304  -2.792
  277   2HD   PRO  40          3HD       PRO  40   3.093   1.378  -2.905
  278    H    LEU  41           HN       LEU  41   6.359   1.900  -7.184
  279    HA   LEU  41           HA       LEU  41   8.017   0.997  -8.416
  280   1HB   LEU  41          2HB       LEU  41   9.033   0.419  -5.634
  281   2HB   LEU  41          3HB       LEU  41   9.820  -0.408  -6.946
  282    HG   LEU  41           HG       LEU  41  10.885   1.693  -6.201
  283   1HD1  LEU  41          2HD1      LEU  41  11.388   0.662  -8.362
  284   2HD1  LEU  41          3HD1      LEU  41  10.088   1.589  -9.140
  285   3HD1  LEU  41          1HD1      LEU  41  11.492   2.429  -8.450
  286   1HD2  LEU  41          2HD2      LEU  41   8.842   3.069  -5.878
  287   2HD2  LEU  41          3HD2      LEU  41  10.048   3.849  -6.914
  288   3HD2  LEU  41          1HD2      LEU  41   8.609   3.121  -7.638
  289    H    CYS  42           HN       CYN  42   5.461  -0.612  -7.788
  290    HA   CYS  42           HA       CYN  42   6.411  -2.928  -9.307
  291   1HB   CYS  42          2HB       CYN  42   6.741  -4.039  -7.421
  292   2HB   CYS  42          3HB       CYN  42   5.714  -3.001  -6.458
  293    H    GLY  43           HN       GLY  43   4.156  -4.301  -9.638
  294   1HA   GLY  43          2HA       GLY  43   2.184  -2.343 -10.739
  295   2HA   GLY  43          3HA       GLY  43   3.180  -3.282 -11.854
  296    H    VAL  44           HN       VAL  44   0.927  -3.583  -9.103
  297    HA   VAL  44           HA       VAL  44  -0.347  -5.888 -10.412
  298    HB   VAL  44           HB       VAL  44   1.361  -6.910  -9.108
  299   1HG1  VAL  44          3HG1      VAL  44   1.531  -5.066  -7.285
  300   2HG1  VAL  44          1HG1      VAL  44   0.254  -5.995  -6.461
  301   3HG1  VAL  44          2HG1      VAL  44   1.788  -6.757  -6.849
  302   1HG2  VAL  44          2HG2      VAL  44  -0.785  -8.068  -9.325
  303   2HG2  VAL  44          3HG2      VAL  44   0.020  -8.466  -7.795
  304   3HG2  VAL  44          1HG2      VAL  44  -1.352  -7.341  -7.804
  305    H    GLY  45           HN       GLY  45  -0.660  -4.440  -7.122
  306   1HA   GLY  45          2HA       GLY  45  -2.684  -2.672  -7.237
  307   2HA   GLY  45          3HA       GLY  45  -3.533  -4.210  -7.502
  308    H    LYS  46           HN       LYS  46  -3.922  -2.696  -5.113
  309    HA   LYS  46           HA       LYS  46  -2.338  -3.694  -2.928
  310   1HB   LYS  46          2HB       LYS  46  -4.167  -2.956  -1.493
  311   2HB   LYS  46          3HB       LYS  46  -3.693  -1.713  -2.629
  312   1HG   LYS  46          2HG       LYS  46  -5.641  -2.304  -4.103
  313   2HG   LYS  46          3HG       LYS  46  -6.145  -3.510  -2.907
  314   1HD   LYS  46          2HD       LYS  46  -6.013  -0.499  -2.592
  315   2HD   LYS  46          3HD       LYS  46  -7.434  -1.540  -2.670
  316   1HE   LYS  46          2HE       LYS  46  -6.303  -2.723  -0.553
  317   2HE   LYS  46          3HE       LYS  46  -5.513  -1.173  -0.398
  318   1HZ   LYS  46          3HNZ      LYS  46  -7.850  -0.188  -0.617
  319   2HZ   LYS  46          1HNZ      LYS  46  -8.432  -1.697  -0.411
  320   3HZ   LYS  46          2HNZ      LYS  46  -7.510  -0.979   0.784
  321    H    ASP  47           HN       ASP  47  -4.612  -5.310  -4.890
  322    HA   ASP  47           HA       ASP  47  -6.256  -6.830  -4.560
  323   1HB   ASP  47          2HB       ASP  47  -3.569  -8.177  -4.082
  324   2HB   ASP  47          3HB       ASP  47  -5.052  -8.987  -4.620
  325    H    GLN  48           HN       GLN  48  -4.195  -8.402  -2.208
  326    HA   GLN  48           HA       GLN  48  -5.628  -7.318   0.004
  327   1HB   GLN  48          2HB       GLN  48  -6.969  -9.500  -1.010
  328   2HB   GLN  48          3HB       GLN  48  -5.915 -10.299   0.140
  329   1HG   GLN  48          2HG       GLN  48  -6.799  -8.200   1.687
  330   2HG   GLN  48          3HG       GLN  48  -8.141  -8.317   0.543
  331   1HE2  GLN  48          2HNE      GLN  48  -7.326 -11.392   3.206
  332   2HE2  GLN  48          1HNE      GLN  48  -6.035 -10.330   2.659
  333    H    PHE  49           HN       PHE  49  -3.285  -6.754  -0.322
  334    HA   PHE  49           HA       PHE  49  -1.075  -8.257   0.436
  335   1HB   PHE  49          2HB       PHE  49  -1.951  -5.465   1.181
  336   2HB   PHE  49          3HB       PHE  49  -0.381  -5.944   1.559
  337    HD1  PHE  49           HD1      PHE  49  -1.379  -7.420  -1.647
  338    HD2  PHE  49           HD2      PHE  49   0.477  -4.018   0.292
  339    HE1  PHE  49           HE1      PHE  49  -0.519  -6.647  -3.793
  340    HE2  PHE  49           HE2      PHE  49   1.207  -3.191  -1.933
  341    HZ   PHE  49           HZ       PHE  49   0.669  -4.501  -3.969
  342    H    GLU  50           HN       GLU  50   0.128  -8.387   2.522
  343    HA   GLU  50           HA       GLU  50  -1.765  -9.542   4.524
  344   1HB   GLU  50          2HB       GLU  50   1.208  -9.864   3.977
  345   2HB   GLU  50          3HB       GLU  50   0.462 -10.404   5.478
  346   1HG   GLU  50          2HG       GLU  50  -1.071 -11.867   4.175
  347   2HG   GLU  50          3HG       GLU  50  -0.332 -11.298   2.664
  348    H    GLU  51           HN       GLU  51  -1.588  -8.857   6.802
  349    HA   GLU  51           HA       GLU  51  -0.931  -6.047   7.079
  350   1HB   GLU  51          2HB       GLU  51  -2.946  -7.000   8.077
  351   2HB   GLU  51          3HB       GLU  51  -1.998  -8.255   8.905
  352   1HG   GLU  51          2HG       GLU  51  -0.922  -6.691  10.257
  353   2HG   GLU  51          3HG       GLU  51  -1.677  -5.288   9.479
  354    H    VAL  52           HN       VAL  52   0.797  -5.242   8.285
  355    HA   VAL  52           HA       VAL  52   2.995  -7.089   9.052
  356    HB   VAL  52           HB       VAL  52   2.825  -4.263   7.938
  357   1HG1  VAL  52          1HG1      VAL  52   5.177  -5.538   9.389
  358   2HG1  VAL  52          2HG1      VAL  52   5.244  -4.038   8.423
  359   3HG1  VAL  52          3HG1      VAL  52   4.250  -4.103   9.886
  360   1HG2  VAL  52          1HG2      VAL  52   3.034  -6.188   6.395
  361   2HG2  VAL  52          2HG2      VAL  52   4.348  -4.993   6.343
  362   3HG2  VAL  52          3HG2      VAL  52   4.601  -6.568   7.144
  363    H    GLU  53           HN       GLU  53   2.741  -7.445  11.193
  364    HA   GLU  53           HA       GLU  53   1.318  -5.775  12.965
  365   1HB   GLU  53          2HB       GLU  53   2.049  -7.402  14.604
  366   2HB   GLU  53          3HB       GLU  53   1.310  -8.140  13.186
  367   1HG   GLU  53          2HG       GLU  53   3.655  -8.722  12.360
  368   2HG   GLU  53          3HG       GLU  53   4.285  -8.088  13.879
  369    H    GLU  54           HN       GLU  54   2.771  -3.974  12.176
  370    HA   GLU  54           HA       GLU  54   4.695  -3.258  14.356
  371   1HB   GLU  54          2HB       GLU  54   4.146  -1.808  11.744
  372   2HB   GLU  54          3HB       GLU  54   5.140  -1.221  13.082
  373   1HG   GLU  54          2HG       GLU  54   6.257  -3.737  12.529
  374   2HG   GLU  54          3HG       GLU  54   5.869  -3.099  10.929
   
  No H/Q in entry =         374
  Start of MODEL   10
    1   1H    MET   1          2HN       MET   1  -5.560  -1.314   9.806
    2   2H    MET   1          3HN       MET   1  -6.332   0.108   9.351
    3   3H    MET   1          1HN       MET   1  -5.114  -0.508   8.476
    4    HA   MET   1           HA       MET   1  -4.843   0.515  11.227
    5   1HB   MET   1          2HB       MET   1  -3.091   2.054   9.946
    6   2HB   MET   1          3HB       MET   1  -3.984   1.563   8.530
    7   1HG   MET   1          2HG       MET   1  -6.049   2.475   9.807
    8   2HG   MET   1          3HG       MET   1  -4.904   3.079  11.001
    9   1HE   MET   1          2HE       MET   1  -6.955   5.030   9.744
   10   2HE   MET   1          3HE       MET   1  -5.656   5.566  10.845
   11   3HE   MET   1          1HE       MET   1  -5.926   6.414   9.308
   12    H    LYS   2           HN       LYS   2  -2.277   0.901  11.359
   13    HA   LYS   2           HA       LYS   2  -0.163   0.157  11.500
   14   1HB   LYS   2          2HB       LYS   2  -1.194  -2.639  11.099
   15   2HB   LYS   2          3HB       LYS   2   0.285  -2.115  11.926
   16   1HG   LYS   2          2HG       LYS   2  -1.122  -0.999  13.675
   17   2HG   LYS   2          3HG       LYS   2  -2.570  -1.708  12.870
   18   1HD   LYS   2          2HD       LYS   2  -1.123  -3.899  12.897
   19   2HD   LYS   2          3HD       LYS   2  -0.251  -3.102  14.215
   20   1HE   LYS   2          2HE       LYS   2  -3.284  -3.538  14.032
   21   2HE   LYS   2          3HE       LYS   2  -2.200  -4.698  14.800
   22   1HZ   LYS   2          1HNZ      LYS   2  -2.541  -1.887  15.631
   23   2HZ   LYS   2          2HNZ      LYS   2  -3.172  -3.196  16.417
   24   3HZ   LYS   2          3HNZ      LYS   2  -1.537  -2.974  16.349
   25    H    LYS   3           HN       LYS   3   1.492  -1.387  10.380
   26    HA   LYS   3           HA       LYS   3   1.531  -0.544   7.603
   27   1HB   LYS   3          2HB       LYS   3   3.428  -2.233   9.253
   28   2HB   LYS   3          3HB       LYS   3   3.752  -1.556   7.651
   29   1HG   LYS   3          2HG       LYS   3   3.295   0.728   8.515
   30   2HG   LYS   3          3HG       LYS   3   3.066   0.093  10.123
   31   1HD   LYS   3          2HD       LYS   3   5.453  -0.982   9.817
   32   2HD   LYS   3          3HD       LYS   3   5.639   0.207   8.519
   33   1HE   LYS   3          2HE       LYS   3   5.202   2.050  10.125
   34   2HE   LYS   3          3HE       LYS   3   4.809   0.887  11.399
   35   1HZ   LYS   3          1HNZ      LYS   3   7.056   0.081  11.311
   36   2HZ   LYS   3          2HNZ      LYS   3   7.469   1.181  10.178
   37   3HZ   LYS   3          3HNZ      LYS   3   7.010   1.669  11.688
   38    H    TYR   4           HN       TYR   4   2.215  -2.139   5.953
   39    HA   TYR   4           HA       TYR   4   0.831  -4.765   6.206
   40   1HB   TYR   4          2HB       TYR   4   0.096  -2.539   4.291
   41   2HB   TYR   4          3HB       TYR   4  -0.221  -4.210   3.886
   42    HD1  TYR   4           HD2      TYR   4  -1.159  -1.475   6.245
   43    HD2  TYR   4           HD1      TYR   4  -1.941  -5.424   4.831
   44    HE1  TYR   4           HE2      TYR   4  -3.291  -1.477   7.474
   45    HE2  TYR   4           HE1      TYR   4  -3.876  -5.617   6.424
   46    HH   TYR   4           HOH      TYR   4  -5.145  -4.463   8.013
   47    H    THR   5           HN       THR   5   1.721  -6.401   4.802
   48    HA   THR   5           HA       THR   5   4.150  -5.634   3.320
   49    HB   THR   5           HB       THR   5   2.780  -8.341   3.321
   50    HG1  THR   5           HG1      THR   5   4.422  -7.141   5.297
   51   1HG2  THR   5          2HG2      THR   5   5.710  -7.466   3.149
   52   2HG2  THR   5          3HG2      THR   5   5.122  -9.142   3.176
   53   3HG2  THR   5          1HG2      THR   5   4.726  -8.093   1.809
   54    H    CYS   6           HN       CYN   6   4.357  -5.645   1.041
   55    HA   CYS   6           HA       CYN   6   1.987  -5.416  -0.622
   56   1HB   CYS   6          2HB       CYN   6   4.107  -4.276  -1.052
   57   2HB   CYS   6          3HB       CYN   6   4.898  -5.836  -1.250
   58    H    THR   7           HN       THR   7   2.093  -6.962  -2.686
   59    HA   THR   7           HA       THR   7   1.029  -9.407  -1.624
   60    HB   THR   7           HB       THR   7   1.198  -8.285  -4.451
   61    HG1  THR   7           HG1      THR   7  -0.022  -6.982  -3.210
   62   1HG2  THR   7          1HG2      THR   7  -0.447 -10.601  -3.348
   63   2HG2  THR   7          2HG2      THR   7  -0.780  -9.757  -4.876
   64   3HG2  THR   7          3HG2      THR   7   0.728 -10.645  -4.685
   65    H    VAL   8           HN       VAL   8   3.238  -9.188  -4.486
   66    HA   VAL   8           HA       VAL   8   4.721 -11.599  -3.462
   67    HB   VAL   8           HB       VAL   8   3.804 -10.833  -6.250
   68   1HG1  VAL   8          2HG1      VAL   8   5.910 -12.910  -5.525
   69   2HG1  VAL   8          3HG1      VAL   8   5.003 -12.900  -7.050
   70   3HG1  VAL   8          1HG1      VAL   8   6.068 -11.555  -6.674
   71   1HG2  VAL   8          3HG2      VAL   8   2.290 -12.202  -4.747
   72   2HG2  VAL   8          1HG2      VAL   8   2.796 -13.059  -6.208
   73   3HG2  VAL   8          2HG2      VAL   8   3.564 -13.421  -4.649
   74    H    CYS   9           HN       CYN   9   4.964  -8.394  -3.592
   75    HA   CYS   9           HA       CYN   9   7.588  -7.995  -4.810
   76   1HB   CYS   9          2HB       CYN   9   5.487  -6.525  -4.739
   77   2HB   CYS   9          3HB       CYN   9   5.912  -6.283  -3.030
   78    H    GLY  10           HN       GLY  10   8.693  -6.275  -2.916
   79   1HA   GLY  10          2HA       GLY  10   8.969  -7.786  -0.341
   80   2HA   GLY  10          3HA       GLY  10  10.410  -7.387  -1.289
   81    H    TYR  11           HN       TYR  11   7.370  -5.577  -0.599
   82    HA   TYR  11           HA       TYR  11   8.914  -3.508   0.869
   83   1HB   TYR  11          2HB       TYR  11   7.131  -3.079  -1.552
   84   2HB   TYR  11          3HB       TYR  11   7.374  -1.821  -0.351
   85    HD1  TYR  11           HD2      TYR  11   9.192  -3.977  -2.796
   86    HD2  TYR  11           HD1      TYR  11   9.373  -0.515  -0.239
   87    HE1  TYR  11           HE2      TYR  11  11.367  -3.376  -3.782
   88    HE2  TYR  11           HE1      TYR  11  11.564   0.092  -1.230
   89    HH   TYR  11           HOH      TYR  11  13.128  -1.905  -3.746
   90    H    ILE  12           HN       ILE  12   7.588  -2.112   2.131
   91    HA   ILE  12           HA       ILE  12   5.102  -3.371   3.116
   92    HB   ILE  12           HB       ILE  12   7.546  -2.437   4.611
   93   1HG1  ILE  12          2HG1      ILE  12   5.513  -4.667   5.069
   94   2HG1  ILE  12          3HG1      ILE  12   6.948  -4.846   4.060
   95   1HG2  ILE  12          2HG2      ILE  12   4.722  -2.333   5.740
   96   2HG2  ILE  12          3HG2      ILE  12   6.196  -2.244   6.720
   97   3HG2  ILE  12          1HG2      ILE  12   5.837  -0.956   5.595
   98   1HD1  ILE  12          1HD1      ILE  12   8.409  -4.402   5.995
   99   2HD1  ILE  12          2HD1      ILE  12   6.983  -4.291   7.053
  100   3HD1  ILE  12          3HD1      ILE  12   7.357  -5.811   6.235
  101    H    TYR  13           HN       TYR  13   3.434  -2.092   3.132
  102    HA   TYR  13           HA       TYR  13   3.572   0.756   2.385
  103   1HB   TYR  13          2HB       TYR  13   1.829  -0.668   1.454
  104   2HB   TYR  13          3HB       TYR  13   1.356  -1.202   3.067
  105    HD1  TYR  13           HD2      TYR  13   0.148   0.353   4.629
  106    HD2  TYR  13           HD1      TYR  13   0.772   1.227   0.488
  107    HE1  TYR  13           HE2      TYR  13  -1.437   2.247   4.758
  108    HE2  TYR  13           HE1      TYR  13  -0.359   3.425   0.779
  109    HH   TYR  13           HOH      TYR  13  -2.261   4.217   3.693
  110    H    ASN  14           HN       ASN  14   3.229   2.408   3.879
  111    HA   ASN  14           HA       ASN  14   2.707   1.680   6.717
  112   1HB   ASN  14          2HB       ASN  14   5.121   2.302   6.335
  113   2HB   ASN  14          3HB       ASN  14   4.577   3.859   5.723
  114   1HD2  ASN  14          2HND      ASN  14   5.355   4.529   9.214
  115   2HD2  ASN  14          1HND      ASN  14   5.964   4.607   7.565
  116    HA   PRO  15           HA       PRO  15  -0.622   4.305   5.460
  117   1HB   PRO  15          2HB       PRO  15  -2.071   4.300   7.885
  118   2HB   PRO  15          3HB       PRO  15  -2.236   3.087   6.609
  119   1HG   PRO  15          2HG       PRO  15  -0.821   2.849   9.194
  120   2HG   PRO  15          3HG       PRO  15  -1.524   1.616   8.101
  121   1HD   PRO  15          2HD       PRO  15   1.211   2.245   8.417
  122   2HD   PRO  15          3HD       PRO  15   0.566   1.235   7.138
  123    H    GLU  16           HN       GLU  16   1.108   4.842   8.537
  124    HA   GLU  16           HA       GLU  16   0.170   7.481   8.941
  125   1HB   GLU  16          2HB       GLU  16   2.801   6.161   9.704
  126   2HB   GLU  16          3HB       GLU  16   2.177   7.690  10.301
  127   1HG   GLU  16          2HG       GLU  16   0.013   6.247  10.909
  128   2HG   GLU  16          3HG       GLU  16   1.131   4.876  10.796
  129    H    ASP  17           HN       ASP  17   2.532   6.145   6.752
  130    HA   ASP  17           HA       ASP  17   3.669   8.814   6.025
  131   1HB   ASP  17          2HB       ASP  17   4.222   5.973   5.137
  132   2HB   ASP  17          3HB       ASP  17   5.004   7.384   4.425
  133    H    GLY  18           HN       GLY  18   1.469   6.256   4.880
  134   1HA   GLY  18          2HA       GLY  18   0.278   5.986   3.033
  135   2HA   GLY  18          3HA       GLY  18   0.263   7.739   2.769
  136    H    ASP  19           HN       ASP  19   0.472   7.242   0.516
  137    HA   ASP  19           HA       ASP  19   3.261   7.280  -0.302
  138   1HB   ASP  19          2HB       ASP  19   1.953   5.768  -2.350
  139   2HB   ASP  19          3HB       ASP  19   3.432   5.409  -1.431
  140    HA   PRO  20           HA       PRO  20   0.189  10.424  -1.833
  141   1HB   PRO  20          2HB       PRO  20   1.874  12.625  -1.518
  142   2HB   PRO  20          3HB       PRO  20   0.677  12.041  -0.319
  143   1HG   PRO  20          2HG       PRO  20   3.645  11.504  -0.426
  144   2HG   PRO  20          3HG       PRO  20   2.644  11.873   1.008
  145   1HD   PRO  20          2HD       PRO  20   3.404   9.350   0.423
  146   2HD   PRO  20          3HD       PRO  20   1.768   9.657   1.057
  147    H    ASP  21           HN       ASP  21   3.627   9.792  -2.524
  148    HA   ASP  21           HA       ASP  21   3.870  11.167  -4.947
  149   1HB   ASP  21          2HB       ASP  21   5.156   8.606  -3.865
  150   2HB   ASP  21          3HB       ASP  21   5.708   9.488  -5.285
  151    H    ASN  22           HN       ASN  22   2.295   8.075  -4.111
  152    HA   ASN  22           HA       ASN  22   2.020   7.334  -6.968
  153   1HB   ASN  22          2HB       ASN  22   1.349   5.735  -4.470
  154   2HB   ASN  22          3HB       ASN  22   1.448   5.151  -6.119
  155   1HD2  ASN  22          2HND      ASN  22   4.911   5.796  -3.982
  156   2HD2  ASN  22          1HND      ASN  22   3.378   6.455  -3.432
  157    H    GLY  23           HN       GLY  23   0.355   8.567  -4.231
  158   1HA   GLY  23          2HA       GLY  23  -1.531   9.968  -5.019
  159   2HA   GLY  23          3HA       GLY  23  -2.261   8.513  -5.709
  160    H    VAL  24           HN       VAL  24  -0.670   7.910  -2.675
  161    HA   VAL  24           HA       VAL  24  -3.323   7.713  -1.326
  162    HB   VAL  24           HB       VAL  24  -0.754   6.192  -1.101
  163   1HG1  VAL  24          2HG1      VAL  24  -3.239   6.109   0.632
  164   2HG1  VAL  24          3HG1      VAL  24  -2.079   4.778   0.525
  165   3HG1  VAL  24          1HG1      VAL  24  -1.547   6.342   1.159
  166   1HG2  VAL  24          1HG2      VAL  24  -2.377   5.619  -2.964
  167   2HG2  VAL  24          2HG2      VAL  24  -2.210   4.301  -1.779
  168   3HG2  VAL  24          3HG2      VAL  24  -3.637   5.355  -1.750
  169    H    ASN  25           HN       ASN  25  -3.646   9.387   0.027
  170    HA   ASN  25           HA       ASN  25  -1.505  11.067   0.933
  171   1HB   ASN  25          2HB       ASN  25  -4.468  10.802   1.562
  172   2HB   ASN  25          3HB       ASN  25  -3.457  11.822   2.574
  173   1HD2  ASN  25          2HND      ASN  25  -3.811  12.942  -1.389
  174   2HD2  ASN  25          1HND      ASN  25  -3.774  11.238  -1.011
  175    HA   PRO  26           HA       PRO  26  -0.250   8.949   4.638
  176   1HB   PRO  26          2HB       PRO  26   0.036  11.078   6.441
  177   2HB   PRO  26          3HB       PRO  26   1.261  10.484   5.302
  178   1HG   PRO  26          2HG       PRO  26  -0.542  12.860   5.037
  179   2HG   PRO  26          3HG       PRO  26   1.136  12.617   4.441
  180   1HD   PRO  26          2HD       PRO  26  -1.127  12.479   2.841
  181   2HD   PRO  26          3HD       PRO  26   0.388  11.598   2.488
  182    H    GLY  27           HN       GLY  27  -1.131   8.146   6.413
  183   1HA   GLY  27          2HA       GLY  27  -2.662   7.653   8.060
  184   2HA   GLY  27          3HA       GLY  27  -3.505   9.186   7.763
  185    H    THR  28           HN       THR  28  -2.942   7.014   4.941
  186    HA   THR  28           HA       THR  28  -5.864   6.542   4.929
  187    HB   THR  28           HB       THR  28  -3.650   6.063   2.884
  188    HG1  THR  28           HG1      THR  28  -4.026   8.227   3.005
  189   1HG2  THR  28          1HG2      THR  28  -6.681   5.831   2.710
  190   2HG2  THR  28          2HG2      THR  28  -5.577   5.794   1.309
  191   3HG2  THR  28          3HG2      THR  28  -5.475   4.530   2.550
  192    H    ASP  29           HN       ASP  29  -6.593   4.715   5.731
  193    HA   ASP  29           HA       ASP  29  -4.936   2.515   6.538
  194   1HB   ASP  29          2HB       ASP  29  -7.271   3.152   7.335
  195   2HB   ASP  29          3HB       ASP  29  -7.885   2.464   5.852
  196    H    PHE  30           HN       PHE  30  -4.392   0.734   5.419
  197    HA   PHE  30           HA       PHE  30  -4.230   0.552   2.644
  198   1HB   PHE  30          2HB       PHE  30  -3.262  -0.874   4.607
  199   2HB   PHE  30          3HB       PHE  30  -4.660  -1.917   4.345
  200    HD1  PHE  30           HD2      PHE  30  -5.003  -2.712   1.801
  201    HD2  PHE  30           HD1      PHE  30  -1.349  -1.082   3.383
  202    HE1  PHE  30           HE2      PHE  30  -3.760  -3.531  -0.177
  203    HE2  PHE  30           HE1      PHE  30  -0.095  -2.060   1.465
  204    HZ   PHE  30           HZ       PHE  30  -1.311  -3.277  -0.269
  205    H    LYS  31           HN       LYS  31  -7.025  -0.216   4.791
  206    HA   LYS  31           HA       LYS  31  -8.340  -1.756   2.697
  207   1HB   LYS  31          2HB       LYS  31 -10.205  -1.858   4.124
  208   2HB   LYS  31          3HB       LYS  31  -8.741  -2.027   5.119
  209   1HG   LYS  31          2HG       LYS  31  -8.883   0.518   5.466
  210   2HG   LYS  31          3HG       LYS  31 -10.448   0.431   4.687
  211   1HD   LYS  31          2HD       LYS  31 -11.160  -1.214   6.454
  212   2HD   LYS  31          3HD       LYS  31  -9.543  -1.080   7.168
  213   1HE   LYS  31          2HE       LYS  31 -11.206   0.351   8.390
  214   2HE   LYS  31          3HE       LYS  31  -9.858   1.275   7.715
  215   1HZ   LYS  31          1HNZ      LYS  31 -12.506   1.090   6.438
  216   2HZ   LYS  31          2HNZ      LYS  31 -11.936   2.375   7.306
  217   3HZ   LYS  31          3HNZ      LYS  31 -11.247   1.974   5.905
  218    H    ASP  32           HN       ASP  32  -8.131   1.627   3.599
  219    HA   ASP  32           HA       ASP  32 -10.444   2.486   2.030
  220   1HB   ASP  32          2HB       ASP  32  -8.356   3.986   3.674
  221   2HB   ASP  32          3HB       ASP  32  -9.735   4.733   2.883
  222    H    ILE  33           HN       ILE  33  -7.007   1.908   1.469
  223    HA   ILE  33           HA       ILE  33  -6.429   3.778  -0.462
  224    HB   ILE  33           HB       ILE  33  -5.763   0.883  -0.192
  225   1HG1  ILE  33          2HG1      ILE  33  -4.461   3.463   0.650
  226   2HG1  ILE  33          3HG1      ILE  33  -5.001   2.210   1.682
  227   1HG2  ILE  33          1HG2      ILE  33  -5.332   1.639  -2.502
  228   2HG2  ILE  33          2HG2      ILE  33  -4.231   2.865  -1.805
  229   3HG2  ILE  33          3HG2      ILE  33  -3.916   1.120  -1.608
  230   1HD1  ILE  33          1HD1      ILE  33  -3.266   0.659   0.519
  231   2HD1  ILE  33          2HD1      ILE  33  -2.551   2.187  -0.075
  232   3HD1  ILE  33          3HD1      ILE  33  -2.716   1.876   1.666
  233    HA   PRO  34           HA       PRO  34  -9.490   2.524  -3.570
  234   1HB   PRO  34          2HB       PRO  34  -8.068   3.623  -5.791
  235   2HB   PRO  34          3HB       PRO  34  -9.373   4.379  -4.849
  236   1HG   PRO  34          2HG       PRO  34  -6.520   5.036  -4.867
  237   2HG   PRO  34          3HG       PRO  34  -7.833   5.859  -3.979
  238   1HD   PRO  34          2HD       PRO  34  -5.846   3.953  -2.973
  239   2HD   PRO  34          3HD       PRO  34  -6.965   4.966  -2.048
  240    H    ASP  35           HN       ASP  35  -9.645   0.643  -4.840
  241    HA   ASP  35           HA       ASP  35  -7.411  -1.108  -5.010
  242   1HB   ASP  35          2HB       ASP  35 -10.324  -1.048  -5.781
  243   2HB   ASP  35          3HB       ASP  35  -9.276  -2.166  -6.601
  244    H    ASP  36           HN       ASP  36  -8.262   1.539  -6.942
  245    HA   ASP  36           HA       ASP  36  -7.065   0.733  -9.427
  246   1HB   ASP  36          2HB       ASP  36  -8.528   2.916  -8.491
  247   2HB   ASP  36          3HB       ASP  36  -6.945   3.520  -9.021
  248    H    TRP  37           HN       TRP  37  -5.777   1.563  -6.340
  249    HA   TRP  37           HA       TRP  37  -3.391   2.913  -7.157
  250   1HB   TRP  37          2HB       TRP  37  -4.297   3.121  -4.914
  251   2HB   TRP  37          3HB       TRP  37  -4.181   1.391  -4.679
  252    HD1  TRP  37           HD       TRP  37  -1.828   4.438  -4.781
  253    HE1  TRP  37           HNE      TRP  37   0.112   3.893  -3.140
  254    HE3  TRP  37           HE       TRP  37  -2.724  -0.527  -4.117
  255    HZ2  TRP  37           HZ1      TRP  37   1.259   1.548  -1.955
  256    HZ3  TRP  37           HZ2      TRP  37  -1.144  -1.933  -2.780
  257    HH2  TRP  37           HH       TRP  37   0.826  -0.896  -1.680
  258    H    VAL  38           HN       VAL  38  -1.255   2.168  -6.927
  259    HA   VAL  38           HA       VAL  38  -0.682  -0.690  -7.479
  260    HB   VAL  38           HB       VAL  38   1.095   0.355  -9.069
  261   1HG1  VAL  38          3HG1      VAL  38  -0.702  -1.170  -9.780
  262   2HG1  VAL  38          1HG1      VAL  38  -1.850   0.183  -9.845
  263   3HG1  VAL  38          2HG1      VAL  38  -0.481   0.122 -10.973
  264   1HG2  VAL  38          1HG2      VAL  38   0.546   2.752  -8.532
  265   2HG2  VAL  38          2HG2      VAL  38   0.452   2.357 -10.258
  266   3HG2  VAL  38          3HG2      VAL  38  -1.034   2.525  -9.320
  267    H    CYS  39           HN       CYN  39   1.519  -1.342  -6.919
  268    HA   CYS  39           HA       CYN  39   2.204  -0.130  -4.381
  269   1HB   CYS  39          2HB       CYN  39   2.175  -2.481  -4.473
  270   2HB   CYS  39          3HB       CYN  39   3.162  -2.533  -5.924
  271    HA   PRO  40           HA       PRO  40   5.218   2.648  -6.103
  272   1HB   PRO  40          2HB       PRO  40   7.057   2.824  -4.029
  273   2HB   PRO  40          3HB       PRO  40   5.489   3.674  -4.090
  274   1HG   PRO  40          2HG       PRO  40   6.108   1.054  -2.715
  275   2HG   PRO  40          3HG       PRO  40   5.230   2.466  -2.045
  276   1HD   PRO  40          2HD       PRO  40   3.893   0.359  -3.013
  277   2HD   PRO  40          3HD       PRO  40   3.317   2.004  -3.410
  278    H    LEU  41           HN       LEU  41   6.255   1.782  -7.738
  279    HA   LEU  41           HA       LEU  41   7.972   0.979  -8.953
  280   1HB   LEU  41          2HB       LEU  41   9.299  -0.274  -6.537
  281   2HB   LEU  41          3HB       LEU  41  10.004   0.160  -8.086
  282    HG   LEU  41           HG       LEU  41   9.079   2.094  -5.912
  283   1HD1  LEU  41          2HD1      LEU  41  11.185   0.954  -5.428
  284   2HD1  LEU  41          3HD1      LEU  41  11.834   1.438  -7.010
  285   3HD1  LEU  41          1HD1      LEU  41  11.455   2.667  -5.786
  286   1HD2  LEU  41          2HD2      LEU  41  10.274   2.689  -8.661
  287   2HD2  LEU  41          3HD2      LEU  41   8.635   3.119  -8.123
  288   3HD2  LEU  41          1HD2      LEU  41  10.036   3.874  -7.359
  289    H    CYS  42           HN       CYN  42   5.474  -0.601  -7.867
  290    HA   CYS  42           HA       CYN  42   6.222  -3.173  -9.156
  291   1HB   CYS  42          2HB       CYN  42   6.785  -3.662  -7.013
  292   2HB   CYS  42          3HB       CYN  42   5.520  -2.659  -6.332
  293    H    GLY  43           HN       GLY  43   4.921  -2.948 -10.867
  294   1HA   GLY  43          2HA       GLY  43   2.283  -1.721 -10.734
  295   2HA   GLY  43          3HA       GLY  43   3.064  -2.465 -12.134
  296    H    VAL  44           HN       VAL  44   2.123  -3.703  -8.903
  297    HA   VAL  44           HA       VAL  44   0.631  -5.968 -10.190
  298    HB   VAL  44           HB       VAL  44   1.844  -5.600  -7.425
  299   1HG1  VAL  44          1HG1      VAL  44  -0.010  -7.807  -8.425
  300   2HG1  VAL  44          2HG1      VAL  44   1.009  -7.924  -6.975
  301   3HG1  VAL  44          3HG1      VAL  44  -0.285  -6.727  -7.040
  302   1HG2  VAL  44          1HG2      VAL  44   3.375  -6.305  -9.256
  303   2HG2  VAL  44          2HG2      VAL  44   3.123  -7.607  -8.087
  304   3HG2  VAL  44          3HG2      VAL  44   2.283  -7.645  -9.649
  305    H    GLY  45           HN       GLY  45   0.253  -4.118  -7.131
  306   1HA   GLY  45          2HA       GLY  45  -1.760  -2.507  -7.113
  307   2HA   GLY  45          3HA       GLY  45  -2.667  -3.902  -7.702
  308    H    LYS  46           HN       LYS  46  -3.879  -3.677  -5.751
  309    HA   LYS  46           HA       LYS  46  -2.638  -4.650  -3.228
  310   1HB   LYS  46          2HB       LYS  46  -5.550  -4.094  -3.806
  311   2HB   LYS  46          3HB       LYS  46  -4.716  -4.174  -2.233
  312   1HG   LYS  46          2HG       LYS  46  -3.668  -2.015  -2.675
  313   2HG   LYS  46          3HG       LYS  46  -4.382  -1.996  -4.314
  314   1HD   LYS  46          2HD       LYS  46  -5.840  -0.645  -3.112
  315   2HD   LYS  46          3HD       LYS  46  -6.655  -2.206  -3.232
  316   1HE   LYS  46          2HE       LYS  46  -5.812  -2.757  -0.901
  317   2HE   LYS  46          3HE       LYS  46  -5.180  -1.124  -0.824
  318   1HZ   LYS  46          3HNZ      LYS  46  -7.513  -0.348  -1.224
  319   2HZ   LYS  46          1HNZ      LYS  46  -8.028  -1.884  -1.139
  320   3HZ   LYS  46          2HNZ      LYS  46  -7.290  -1.149   0.188
  321    H    ASP  47           HN       ASP  47  -3.875  -6.560  -2.271
  322    HA   ASP  47           HA       ASP  47  -5.714  -8.106  -3.797
  323   1HB   ASP  47          2HB       ASP  47  -2.833  -8.974  -3.890
  324   2HB   ASP  47          3HB       ASP  47  -3.989 -10.239  -3.449
  325    H    GLN  48           HN       GLN  48  -3.246  -9.323  -1.640
  326    HA   GLN  48           HA       GLN  48  -5.318 -10.102   0.328
  327   1HB   GLN  48          2HB       GLN  48  -2.976 -11.330  -0.823
  328   2HB   GLN  48          3HB       GLN  48  -2.696 -11.199   0.909
  329   1HG   GLN  48          2HG       GLN  48  -5.234 -12.368  -0.325
  330   2HG   GLN  48          3HG       GLN  48  -3.802 -13.322   0.093
  331   1HE2  GLN  48          2HNE      GLN  48  -5.948 -13.758   3.009
  332   2HE2  GLN  48          1HNE      GLN  48  -5.882 -14.296   1.336
  333    H    PHE  49           HN       PHE  49  -2.084  -8.629   0.262
  334    HA   PHE  49           HA       PHE  49  -0.925  -7.366   1.680
  335   1HB   PHE  49          2HB       PHE  49  -2.050  -5.304   2.493
  336   2HB   PHE  49          3HB       PHE  49  -2.134  -5.653   0.785
  337    HD1  PHE  49           HD2      PHE  49  -4.248  -6.347  -0.301
  338    HD2  PHE  49           HD1      PHE  49  -4.148  -5.297   3.855
  339    HE1  PHE  49           HE2      PHE  49  -6.706  -6.026  -0.325
  340    HE2  PHE  49           HE1      PHE  49  -6.583  -4.895   3.827
  341    HZ   PHE  49           HZ       PHE  49  -7.877  -5.267   1.732
  342    H    GLU  50           HN       GLU  50  -0.077  -8.561   3.284
  343    HA   GLU  50           HA       GLU  50  -1.705  -9.509   5.533
  344   1HB   GLU  50          2HB       GLU  50   1.264  -9.605   4.865
  345   2HB   GLU  50          3HB       GLU  50   0.574 -10.313   6.310
  346   1HG   GLU  50          2HG       GLU  50  -0.795 -11.857   5.015
  347   2HG   GLU  50          3HG       GLU  50  -0.386 -11.052   3.494
  348    H    GLU  51           HN       GLU  51  -1.644  -8.537   7.624
  349    HA   GLU  51           HA       GLU  51  -0.852  -5.737   7.701
  350   1HB   GLU  51          2HB       GLU  51  -3.001  -6.484   8.663
  351   2HB   GLU  51          3HB       GLU  51  -2.160  -7.692   9.659
  352   1HG   GLU  51          2HG       GLU  51  -1.090  -6.089  10.920
  353   2HG   GLU  51          3HG       GLU  51  -1.664  -4.712   9.951
  354    H    VAL  52           HN       VAL  52   0.938  -4.975   8.765
  355    HA   VAL  52           HA       VAL  52   2.899  -6.893   9.892
  356    HB   VAL  52           HB       VAL  52   3.015  -4.180   8.510
  357   1HG1  VAL  52          3HG1      VAL  52   5.179  -5.552  10.149
  358   2HG1  VAL  52          1HG1      VAL  52   5.441  -4.167   9.054
  359   3HG1  VAL  52          2HG1      VAL  52   4.401  -3.983  10.471
  360   1HG2  VAL  52          2HG2      VAL  52   3.052  -6.160   7.079
  361   2HG2  VAL  52          3HG2      VAL  52   4.550  -5.212   7.050
  362   3HG2  VAL  52          1HG2      VAL  52   4.491  -6.754   7.946
  363    H    GLU  53           HN       GLU  53   2.551  -6.960  12.056
  364    HA   GLU  53           HA       GLU  53   1.190  -5.041  13.571
  365   1HB   GLU  53          2HB       GLU  53   1.872  -6.454  15.425
  366   2HB   GLU  53          3HB       GLU  53   1.127  -7.345  14.096
  367   1HG   GLU  53          2HG       GLU  53   3.464  -8.089  13.382
  368   2HG   GLU  53          3HG       GLU  53   4.091  -7.288  14.824
  369    H    GLU  54           HN       GLU  54   2.742  -3.401  12.561
  370    HA   GLU  54           HA       GLU  54   4.407  -2.314  14.773
  371   1HB   GLU  54          2HB       GLU  54   4.651  -1.661  11.814
  372   2HB   GLU  54          3HB       GLU  54   5.523  -0.891  13.149
  373   1HG   GLU  54          2HG       GLU  54   6.155  -3.556  13.528
  374   2HG   GLU  54          3HG       GLU  54   6.099  -3.459  11.770
   
  No H/Q in entry =         374
  Start of MODEL   11
    1   1H    MET   1          1HN       MET   1  -5.612  -0.879   9.518
    2   2H    MET   1          2HN       MET   1  -6.495   0.548   9.418
    3   3H    MET   1          3HN       MET   1  -5.357   0.209   8.351
    4    HA   MET   1           HA       MET   1  -4.953   0.738  11.239
    5   1HB   MET   1          2HB       MET   1  -3.094   2.346  10.194
    6   2HB   MET   1          3HB       MET   1  -4.033   2.158   8.732
    7   1HG   MET   1          2HG       MET   1  -5.981   2.987   9.955
    8   2HG   MET   1          3HG       MET   1  -5.068   3.091  11.457
    9   1HE   MET   1          2HE       MET   1  -3.341   4.905  12.092
   10   2HE   MET   1          3HE       MET   1  -2.279   4.457  10.734
   11   3HE   MET   1          1HE       MET   1  -2.744   6.149  10.977
   12    H    LYS   2           HN       LYS   2  -2.297   0.973  11.328
   13    HA   LYS   2           HA       LYS   2  -0.318  -0.026  11.458
   14   1HB   LYS   2          2HB       LYS   2  -1.606  -2.700  10.900
   15   2HB   LYS   2          3HB       LYS   2  -0.128  -2.327  11.811
   16   1HG   LYS   2          2HG       LYS   2  -1.703  -0.955  13.380
   17   2HG   LYS   2          3HG       LYS   2  -3.017  -1.857  12.568
   18   1HD   LYS   2          2HD       LYS   2  -1.300  -3.890  13.067
   19   2HD   LYS   2          3HD       LYS   2  -0.844  -2.807  14.397
   20   1HE   LYS   2          2HE       LYS   2  -3.296  -2.715  15.048
   21   2HE   LYS   2          3HE       LYS   2  -3.665  -3.780  13.670
   22   1HZ   LYS   2          3HNZ      LYS   2  -1.915  -4.552  15.894
   23   2HZ   LYS   2          1HNZ      LYS   2  -3.490  -5.013  15.719
   24   3HZ   LYS   2          2HNZ      LYS   2  -2.379  -5.470  14.586
   25    H    LYS   3           HN       LYS   3   1.285  -1.532  10.306
   26    HA   LYS   3           HA       LYS   3   1.364  -0.545   7.562
   27   1HB   LYS   3          2HB       LYS   3   3.344  -2.161   9.208
   28   2HB   LYS   3          3HB       LYS   3   3.640  -1.405   7.639
   29   1HG   LYS   3          2HG       LYS   3   3.058   0.810   8.607
   30   2HG   LYS   3          3HG       LYS   3   2.826   0.076  10.172
   31   1HD   LYS   3          2HD       LYS   3   5.259  -0.844   9.914
   32   2HD   LYS   3          3HD       LYS   3   5.418   0.355   8.614
   33   1HE   LYS   3          2HE       LYS   3   4.751   2.147  10.288
   34   2HE   LYS   3          3HE       LYS   3   4.640   0.896  11.533
   35   1HZ   LYS   3          3HNZ      LYS   3   6.957   0.444  11.237
   36   2HZ   LYS   3          1HNZ      LYS   3   7.109   1.610  10.095
   37   3HZ   LYS   3          2HNZ      LYS   3   6.731   2.002  11.653
   38    H    TYR   4           HN       TYR   4   2.141  -2.045   5.897
   39    HA   TYR   4           HA       TYR   4   1.011  -4.782   6.104
   40   1HB   TYR   4          2HB       TYR   4   0.025  -2.659   4.192
   41   2HB   TYR   4          3HB       TYR   4  -0.139  -4.353   3.812
   42    HD1  TYR   4           HD1      TYR   4  -1.328  -1.714   6.161
   43    HD2  TYR   4           HD2      TYR   4  -1.782  -5.711   4.707
   44    HE1  TYR   4           HE1      TYR   4  -3.363  -1.976   7.532
   45    HE2  TYR   4           HE2      TYR   4  -3.688  -6.078   6.304
   46    HH   TYR   4           HOH      TYR   4  -4.321  -4.568   8.848
   47    H    THR   5           HN       THR   5   2.125  -6.280   4.908
   48    HA   THR   5           HA       THR   5   4.326  -5.415   3.150
   49    HB   THR   5           HB       THR   5   3.144  -8.187   3.564
   50    HG1  THR   5           HG1      THR   5   5.186  -6.804   4.967
   51   1HG2  THR   5          2HG2      THR   5   5.898  -7.243   2.624
   52   2HG2  THR   5          3HG2      THR   5   5.469  -8.918   3.036
   53   3HG2  THR   5          1HG2      THR   5   4.688  -8.124   1.666
   54    H    CYS   6           HN       CYN   6   4.288  -5.176   0.908
   55    HA   CYS   6           HA       CYN   6   1.823  -5.409  -0.561
   56   1HB   CYS   6          2HB       CYN   6   3.412  -3.790  -1.264
   57   2HB   CYS   6          3HB       CYN   6   4.681  -5.004  -1.434
   58    H    THR   7           HN       THR   7   1.224  -6.869  -1.962
   59    HA   THR   7           HA       THR   7   0.919  -9.419  -1.505
   60    HB   THR   7           HB       THR   7   0.499  -9.713  -3.952
   61    HG1  THR   7           HG1      THR   7   1.728  -7.128  -4.091
   62   1HG2  THR   7          3HG2      THR   7  -1.134  -8.511  -2.453
   63   2HG2  THR   7          1HG2      THR   7  -0.456  -6.967  -3.010
   64   3HG2  THR   7          2HG2      THR   7  -1.223  -8.064  -4.165
   65    H    VAL   8           HN       VAL   8   3.087  -8.937  -4.240
   66    HA   VAL   8           HA       VAL   8   4.828 -11.217  -3.328
   67    HB   VAL   8           HB       VAL   8   4.861 -11.864  -5.772
   68   1HG1  VAL   8          1HG1      VAL   8   3.603 -13.118  -4.074
   69   2HG1  VAL   8          2HG1      VAL   8   2.185 -12.082  -4.337
   70   3HG1  VAL   8          3HG1      VAL   8   2.775 -13.132  -5.641
   71   1HG2  VAL   8          1HG2      VAL   8   3.874  -9.728  -6.710
   72   2HG2  VAL   8          2HG2      VAL   8   3.036 -11.198  -7.227
   73   3HG2  VAL   8          3HG2      VAL   8   2.320 -10.173  -5.978
   74    H    CYS   9           HN       CYN   9   5.654  -8.937  -2.578
   75    HA   CYS   9           HA       CYN   9   7.517  -7.793  -4.634
   76   1HB   CYS   9          2HB       CYN   9   5.399  -6.673  -4.623
   77   2HB   CYS   9          3HB       CYN   9   5.421  -6.553  -2.867
   78    H    GLY  10           HN       GLY  10   6.652  -6.841  -1.299
   79   1HA   GLY  10          2HA       GLY  10   8.268  -7.697   0.502
   80   2HA   GLY  10          3HA       GLY  10   9.546  -7.057  -0.542
   81    H    TYR  11           HN       TYR  11   7.865  -4.722  -1.459
   82    HA   TYR  11           HA       TYR  11   8.687  -2.881   0.556
   83   1HB   TYR  11          2HB       TYR  11   6.880  -2.660  -1.865
   84   2HB   TYR  11          3HB       TYR  11   6.941  -1.356  -0.696
   85    HD1  TYR  11           HD1      TYR  11   8.893   0.034  -0.361
   86    HD2  TYR  11           HD2      TYR  11   8.929  -3.184  -3.231
   87    HE1  TYR  11           HE1      TYR  11  10.968   0.945  -1.367
   88    HE2  TYR  11           HE2      TYR  11  10.981  -2.267  -4.240
   89    HH   TYR  11           HOH      TYR  11  12.558  -0.598  -4.170
   90    H    ILE  12           HN       ILE  12   7.637  -1.871   2.214
   91    HA   ILE  12           HA       ILE  12   5.086  -3.096   3.115
   92    HB   ILE  12           HB       ILE  12   7.507  -2.129   4.618
   93   1HG1  ILE  12          2HG1      ILE  12   5.631  -4.523   4.900
   94   2HG1  ILE  12          3HG1      ILE  12   7.073  -4.531   3.885
   95   1HG2  ILE  12          2HG2      ILE  12   4.669  -2.310   5.727
   96   2HG2  ILE  12          3HG2      ILE  12   6.127  -2.202   6.731
   97   3HG2  ILE  12          1HG2      ILE  12   5.692  -0.856   5.706
   98   1HD1  ILE  12          3HD1      ILE  12   8.505  -4.166   5.849
   99   2HD1  ILE  12          1HD1      ILE  12   7.078  -4.192   6.911
  100   3HD1  ILE  12          2HD1      ILE  12   7.521  -5.634   5.993
  101    H    TYR  13           HN       TYR  13   3.388  -1.884   2.961
  102    HA   TYR  13           HA       TYR  13   3.469   0.998   2.419
  103   1HB   TYR  13          2HB       TYR  13   1.744  -0.461   1.441
  104   2HB   TYR  13          3HB       TYR  13   1.268  -0.978   3.068
  105    HD1  TYR  13           HD2      TYR  13  -0.016   0.496   4.555
  106    HD2  TYR  13           HD1      TYR  13   0.891   1.601   0.517
  107    HE1  TYR  13           HE2      TYR  13  -1.611   2.380   4.688
  108    HE2  TYR  13           HE1      TYR  13  -0.258   3.794   0.861
  109    HH   TYR  13           HOH      TYR  13  -2.370   4.374   3.713
  110    H    ASN  14           HN       ASN  14   3.153   2.568   3.978
  111    HA   ASN  14           HA       ASN  14   2.563   1.740   6.777
  112   1HB   ASN  14          2HB       ASN  14   4.975   2.350   6.492
  113   2HB   ASN  14          3HB       ASN  14   4.477   3.924   5.879
  114   1HD2  ASN  14          2HND      ASN  14   5.160   4.525   9.410
  115   2HD2  ASN  14          1HND      ASN  14   5.830   4.603   7.789
  116    HA   PRO  15           HA       PRO  15  -0.744   4.386   5.522
  117   1HB   PRO  15          2HB       PRO  15  -2.242   4.354   7.903
  118   2HB   PRO  15          3HB       PRO  15  -2.358   3.140   6.620
  119   1HG   PRO  15          2HG       PRO  15  -0.926   2.957   9.229
  120   2HG   PRO  15          3HG       PRO  15  -1.662   1.675   8.220
  121   1HD   PRO  15          2HD       PRO  15   1.049   2.254   8.457
  122   2HD   PRO  15          3HD       PRO  15   0.389   1.283   7.151
  123    H    GLU  16           HN       GLU  16   0.941   4.886   8.618
  124    HA   GLU  16           HA       GLU  16  -0.015   7.525   9.044
  125   1HB   GLU  16          2HB       GLU  16   2.578   6.164   9.859
  126   2HB   GLU  16          3HB       GLU  16   1.967   7.699  10.461
  127   1HG   GLU  16          2HG       GLU  16  -0.214   6.387  11.060
  128   2HG   GLU  16          3HG       GLU  16   0.743   4.916  10.807
  129    H    ASP  17           HN       ASP  17   2.392   6.194   6.907
  130    HA   ASP  17           HA       ASP  17   3.542   8.860   6.202
  131   1HB   ASP  17          2HB       ASP  17   4.118   6.031   5.287
  132   2HB   ASP  17          3HB       ASP  17   4.956   7.460   4.683
  133    H    GLY  18           HN       GLY  18   1.350   6.329   5.042
  134   1HA   GLY  18          2HA       GLY  18   0.042   6.138   3.259
  135   2HA   GLY  18          3HA       GLY  18   0.217   7.868   2.905
  136    H    ASP  19           HN       ASP  19   0.396   7.311   0.679
  137    HA   ASP  19           HA       ASP  19   3.157   6.901  -0.188
  138   1HB   ASP  19          2HB       ASP  19   1.015   4.907  -0.691
  139   2HB   ASP  19          3HB       ASP  19   1.738   5.479  -2.176
  140    HA   PRO  20           HA       PRO  20   0.328  10.313  -1.677
  141   1HB   PRO  20          2HB       PRO  20   2.033  12.460  -1.238
  142   2HB   PRO  20          3HB       PRO  20   0.849  11.819  -0.059
  143   1HG   PRO  20          2HG       PRO  20   3.810  11.235  -0.245
  144   2HG   PRO  20          3HG       PRO  20   2.843  11.576   1.221
  145   1HD   PRO  20          2HD       PRO  20   3.514   9.048   0.523
  146   2HD   PRO  20          3HD       PRO  20   1.902   9.401   1.200
  147    H    ASP  21           HN       ASP  21   3.789   9.632  -2.366
  148    HA   ASP  21           HA       ASP  21   4.068  11.150  -4.699
  149   1HB   ASP  21          2HB       ASP  21   5.309   8.524  -3.738
  150   2HB   ASP  21          3HB       ASP  21   5.906   9.481  -5.095
  151    H    ASN  22           HN       ASN  22   2.473   8.125  -4.014
  152    HA   ASN  22           HA       ASN  22   2.106   7.417  -6.872
  153   1HB   ASN  22          2HB       ASN  22   1.348   5.917  -4.348
  154   2HB   ASN  22          3HB       ASN  22   1.345   5.266  -5.987
  155   1HD2  ASN  22          2HND      ASN  22   4.775   5.414  -3.759
  156   2HD2  ASN  22          1HND      ASN  22   3.364   6.263  -3.243
  157    H    GLY  23           HN       GLY  23   0.471   8.618  -4.087
  158   1HA   GLY  23          2HA       GLY  23  -1.285  10.206  -4.843
  159   2HA   GLY  23          3HA       GLY  23  -2.101   8.851  -5.630
  160    H    VAL  24           HN       VAL  24  -0.651   8.037  -2.566
  161    HA   VAL  24           HA       VAL  24  -3.370   7.925  -1.308
  162    HB   VAL  24           HB       VAL  24  -0.865   6.260  -1.070
  163   1HG1  VAL  24          2HG1      VAL  24  -3.418   6.176   0.556
  164   2HG1  VAL  24          3HG1      VAL  24  -2.264   4.833   0.454
  165   3HG1  VAL  24          1HG1      VAL  24  -1.749   6.377   1.158
  166   1HG2  VAL  24          2HG2      VAL  24  -2.370   5.828  -3.036
  167   2HG2  VAL  24          3HG2      VAL  24  -2.299   4.461  -1.908
  168   3HG2  VAL  24          1HG2      VAL  24  -3.711   5.540  -1.915
  169    H    ASN  25           HN       ASN  25  -3.643   9.539   0.096
  170    HA   ASN  25           HA       ASN  25  -1.495  11.164   1.064
  171   1HB   ASN  25          2HB       ASN  25  -4.466  10.931   1.668
  172   2HB   ASN  25          3HB       ASN  25  -3.441  11.938   2.678
  173   1HD2  ASN  25          2HND      ASN  25  -3.951  13.098  -1.249
  174   2HD2  ASN  25          1HND      ASN  25  -4.134  11.405  -0.858
  175    HA   PRO  26           HA       PRO  26  -0.353   8.999   4.803
  176   1HB   PRO  26          2HB       PRO  26  -0.049  11.089   6.622
  177   2HB   PRO  26          3HB       PRO  26   1.171  10.523   5.463
  178   1HG   PRO  26          2HG       PRO  26  -0.678  12.878   5.227
  179   2HG   PRO  26          3HG       PRO  26   1.030  12.708   4.697
  180   1HD   PRO  26          2HD       PRO  26  -1.121  12.547   2.979
  181   2HD   PRO  26          3HD       PRO  26   0.400  11.646   2.709
  182    H    GLY  27           HN       GLY  27  -1.254   8.245   6.628
  183   1HA   GLY  27          2HA       GLY  27  -2.854   7.738   8.183
  184   2HA   GLY  27          3HA       GLY  27  -3.679   9.276   7.864
  185    H    THR  28           HN       THR  28  -3.039   7.181   4.997
  186    HA   THR  28           HA       THR  28  -5.955   6.731   4.901
  187    HB   THR  28           HB       THR  28  -3.696   6.247   2.912
  188    HG1  THR  28           HG1      THR  28  -4.090   8.404   3.029
  189   1HG2  THR  28          1HG2      THR  28  -6.711   5.990   2.694
  190   2HG2  THR  28          2HG2      THR  28  -5.603   5.966   1.301
  191   3HG2  THR  28          3HG2      THR  28  -5.494   4.696   2.538
  192    H    ASP  29           HN       ASP  29  -6.710   4.929   5.724
  193    HA   ASP  29           HA       ASP  29  -5.091   2.741   6.611
  194   1HB   ASP  29          2HB       ASP  29  -7.494   3.406   7.284
  195   2HB   ASP  29          3HB       ASP  29  -8.016   2.585   5.836
  196    H    PHE  30           HN       PHE  30  -4.576   0.886   5.565
  197    HA   PHE  30           HA       PHE  30  -4.265   0.702   2.772
  198   1HB   PHE  30          2HB       PHE  30  -3.361  -0.727   4.784
  199   2HB   PHE  30          3HB       PHE  30  -4.760  -1.755   4.489
  200    HD1  PHE  30           HD1      PHE  30  -5.048  -2.554   1.921
  201    HD2  PHE  30           HD2      PHE  30  -1.411  -1.030   3.637
  202    HE1  PHE  30           HE1      PHE  30  -3.797  -3.142  -0.143
  203    HE2  PHE  30           HE2      PHE  30  -0.136  -1.950   1.694
  204    HZ   PHE  30           HZ       PHE  30  -1.327  -2.953  -0.160
  205    H    LYS  31           HN       LYS  31  -7.119  -0.023   4.830
  206    HA   LYS  31           HA       LYS  31  -8.381  -1.573   2.698
  207   1HB   LYS  31          2HB       LYS  31 -10.313  -1.665   4.022
  208   2HB   LYS  31          3HB       LYS  31  -8.893  -1.927   5.060
  209   1HG   LYS  31          2HG       LYS  31  -8.975   0.577   5.562
  210   2HG   LYS  31          3HG       LYS  31 -10.513   0.619   4.711
  211   1HD   LYS  31          2HD       LYS  31 -11.365  -1.122   6.288
  212   2HD   LYS  31          3HD       LYS  31  -9.799  -1.041   7.144
  213   1HE   LYS  31          2HE       LYS  31 -10.173   1.473   7.436
  214   2HE   LYS  31          3HE       LYS  31 -11.779   1.282   6.733
  215   1HZ   LYS  31          3HNZ      LYS  31 -12.310  -0.181   8.584
  216   2HZ   LYS  31          1HNZ      LYS  31 -10.792   0.033   9.209
  217   3HZ   LYS  31          2HNZ      LYS  31 -11.829   1.306   9.111
  218    H    ASP  32           HN       ASP  32  -8.276   1.808   3.711
  219    HA   ASP  32           HA       ASP  32 -10.502   2.701   2.102
  220   1HB   ASP  32          2HB       ASP  32  -8.282   4.254   3.502
  221   2HB   ASP  32          3HB       ASP  32  -9.747   4.937   2.803
  222    H    ILE  33           HN       ILE  33  -7.044   2.085   1.522
  223    HA   ILE  33           HA       ILE  33  -6.439   3.887  -0.442
  224    HB   ILE  33           HB       ILE  33  -5.801   0.980  -0.198
  225   1HG1  ILE  33          2HG1      ILE  33  -4.486   3.550   0.690
  226   2HG1  ILE  33          3HG1      ILE  33  -5.059   2.303   1.726
  227   1HG2  ILE  33          3HG2      ILE  33  -5.319   1.802  -2.466
  228   2HG2  ILE  33          1HG2      ILE  33  -4.221   2.995  -1.707
  229   3HG2  ILE  33          2HG2      ILE  33  -3.934   1.239  -1.535
  230   1HD1  ILE  33          1HD1      ILE  33  -3.314   0.739   0.614
  231   2HD1  ILE  33          2HD1      ILE  33  -2.583   2.249  -0.001
  232   3HD1  ILE  33          3HD1      ILE  33  -2.753   1.972   1.739
  233    HA   PRO  34           HA       PRO  34  -9.514   2.645  -3.509
  234   1HB   PRO  34          2HB       PRO  34  -8.220   3.782  -5.764
  235   2HB   PRO  34          3HB       PRO  34  -9.425   4.542  -4.703
  236   1HG   PRO  34          2HG       PRO  34  -6.530   5.074  -4.882
  237   2HG   PRO  34          3HG       PRO  34  -7.773   5.986  -3.982
  238   1HD   PRO  34          2HD       PRO  34  -5.842   4.057  -2.956
  239   2HD   PRO  34          3HD       PRO  34  -6.960   5.076  -2.038
  240    H    ASP  35           HN       ASP  35  -9.719   0.801  -4.812
  241    HA   ASP  35           HA       ASP  35  -7.518  -0.999  -5.104
  242   1HB   ASP  35          2HB       ASP  35 -10.458  -0.854  -5.808
  243   2HB   ASP  35          3HB       ASP  35  -9.431  -2.034  -6.570
  244    H    ASP  36           HN       ASP  36  -8.350   1.753  -6.884
  245    HA   ASP  36           HA       ASP  36  -7.249   0.975  -9.434
  246   1HB   ASP  36          2HB       ASP  36  -8.621   3.192  -8.357
  247   2HB   ASP  36          3HB       ASP  36  -7.098   3.737  -9.083
  248    H    TRP  37           HN       TRP  37  -5.929   1.801  -6.341
  249    HA   TRP  37           HA       TRP  37  -3.501   3.076  -7.295
  250   1HB   TRP  37          2HB       TRP  37  -4.378   3.549  -5.065
  251   2HB   TRP  37          3HB       TRP  37  -4.271   1.845  -4.649
  252    HD1  TRP  37           HD       TRP  37  -1.880   4.810  -5.215
  253    HE1  TRP  37           HNE      TRP  37   0.247   4.336  -3.859
  254    HE3  TRP  37           HE       TRP  37  -2.827   0.010  -3.921
  255    HZ2  TRP  37           HZ1      TRP  37   1.386   2.144  -2.343
  256    HZ3  TRP  37           HZ2      TRP  37  -1.195  -1.299  -2.521
  257    HH2  TRP  37           HH       TRP  37   0.898  -0.219  -1.728
  258    H    VAL  38           HN       VAL  38  -1.410   2.201  -7.129
  259    HA   VAL  38           HA       VAL  38  -1.134  -0.760  -7.272
  260    HB   VAL  38           HB       VAL  38  -0.105   1.263  -9.316
  261   1HG1  VAL  38          3HG1      VAL  38   0.403  -1.716  -9.042
  262   2HG1  VAL  38          1HG1      VAL  38   0.779  -0.778 -10.501
  263   3HG1  VAL  38          2HG1      VAL  38   1.631  -0.428  -9.000
  264   1HG2  VAL  38          1HG2      VAL  38  -2.058  -1.081  -9.532
  265   2HG2  VAL  38          2HG2      VAL  38  -2.469   0.639  -9.690
  266   3HG2  VAL  38          3HG2      VAL  38  -1.450  -0.133 -10.904
  267    H    CYS  39           HN       CYN  39   1.022  -1.492  -6.821
  268    HA   CYS  39           HA       CYN  39   2.138  -0.113  -4.582
  269   1HB   CYS  39          2HB       CYN  39   1.995  -2.469  -4.562
  270   2HB   CYS  39          3HB       CYN  39   2.802  -2.622  -6.121
  271    HA   PRO  40           HA       PRO  40   5.210   2.272  -6.831
  272   1HB   PRO  40          2HB       PRO  40   7.147   2.591  -4.878
  273   2HB   PRO  40          3HB       PRO  40   5.625   3.510  -4.947
  274   1HG   PRO  40          2HG       PRO  40   6.215   1.031  -3.322
  275   2HG   PRO  40          3HG       PRO  40   5.436   2.548  -2.771
  276   1HD   PRO  40          2HD       PRO  40   3.977   0.392  -3.426
  277   2HD   PRO  40          3HD       PRO  40   3.423   2.015  -3.925
  278    H    LEU  41           HN       LEU  41   6.314   1.242  -8.381
  279    HA   LEU  41           HA       LEU  41   8.055   0.259  -9.439
  280   1HB   LEU  41          2HB       LEU  41   9.432  -0.276  -6.790
  281   2HB   LEU  41          3HB       LEU  41  10.144  -0.053  -8.385
  282    HG   LEU  41           HG       LEU  41   8.834   2.069  -6.629
  283   1HD1  LEU  41          2HD1      LEU  41  11.066   1.358  -5.921
  284   2HD1  LEU  41          3HD1      LEU  41  11.705   1.686  -7.548
  285   3HD1  LEU  41          1HD1      LEU  41  11.088   3.017  -6.545
  286   1HD2  LEU  41          2HD2      LEU  41  10.058   2.331  -9.427
  287   2HD2  LEU  41          3HD2      LEU  41   8.353   2.606  -9.010
  288   3HD2  LEU  41          1HD2      LEU  41   9.596   3.692  -8.383
  289    H    CYS  42           HN       CYN  42   5.827  -1.271  -9.044
  290    HA   CYS  42           HA       CYN  42   6.805  -4.034  -8.898
  291   1HB   CYS  42          2HB       CYN  42   6.340  -3.321  -6.584
  292   2HB   CYS  42          3HB       CYN  42   4.752  -2.742  -7.102
  293    H    GLY  43           HN       GLY  43   4.583  -5.341  -9.258
  294   1HA   GLY  43          2HA       GLY  43   3.322  -4.267 -11.728
  295   2HA   GLY  43          3HA       GLY  43   3.168  -5.900 -11.050
  296    H    VAL  44           HN       VAL  44   0.828  -5.638 -11.307
  297    HA   VAL  44           HA       VAL  44  -0.746  -3.748  -9.913
  298    HB   VAL  44           HB       VAL  44  -2.481  -5.584  -9.859
  299   1HG1  VAL  44          2HG1      VAL  44  -2.355  -3.914 -11.650
  300   2HG1  VAL  44          3HG1      VAL  44  -1.207  -4.932 -12.547
  301   3HG1  VAL  44          1HG1      VAL  44  -2.873  -5.485 -12.277
  302   1HG2  VAL  44          1HG2      VAL  44  -0.961  -7.577  -9.877
  303   2HG2  VAL  44          2HG2      VAL  44  -2.152  -7.590 -11.181
  304   3HG2  VAL  44          3HG2      VAL  44  -0.474  -7.164 -11.535
  305    H    GLY  45           HN       GLY  45  -1.205  -3.435  -7.816
  306   1HA   GLY  45          2HA       GLY  45  -0.292  -5.396  -5.754
  307   2HA   GLY  45          3HA       GLY  45   0.085  -3.664  -5.650
  308    H    LYS  46           HN       LYS  46  -1.254  -4.287  -3.569
  309    HA   LYS  46           HA       LYS  46  -3.141  -4.223  -2.340
  310   1HB   LYS  46          2HB       LYS  46  -3.546  -2.095  -2.646
  311   2HB   LYS  46          3HB       LYS  46  -3.665  -2.175  -4.403
  312   1HG   LYS  46          2HG       LYS  46  -5.886  -2.571  -4.430
  313   2HG   LYS  46          3HG       LYS  46  -5.952  -3.400  -2.879
  314   1HD   LYS  46          2HD       LYS  46  -5.374  -0.437  -3.036
  315   2HD   LYS  46          3HD       LYS  46  -7.004  -1.089  -3.057
  316   1HE   LYS  46          2HE       LYS  46  -5.819  -2.506  -0.942
  317   2HE   LYS  46          3HE       LYS  46  -5.183  -0.905  -0.776
  318   1HZ   LYS  46          3HNZ      LYS  46  -7.608  -0.162  -0.990
  319   2HZ   LYS  46          1HNZ      LYS  46  -8.046  -1.721  -0.903
  320   3HZ   LYS  46          2HNZ      LYS  46  -7.235  -0.987   0.376
  321    H    ASP  47           HN       ASP  47  -3.168  -6.408  -2.623
  322    HA   ASP  47           HA       ASP  47  -5.867  -7.296  -3.161
  323   1HB   ASP  47          2HB       ASP  47  -5.120  -7.756  -5.367
  324   2HB   ASP  47          3HB       ASP  47  -3.581  -8.426  -4.815
  325    H    GLN  48           HN       GLN  48  -3.509  -9.835  -3.031
  326    HA   GLN  48           HA       GLN  48  -4.166 -10.480  -0.354
  327   1HB   GLN  48          2HB       GLN  48  -3.419 -11.995  -2.290
  328   2HB   GLN  48          3HB       GLN  48  -1.771 -11.498  -1.907
  329   1HG   GLN  48          2HG       GLN  48  -2.625 -12.221   0.588
  330   2HG   GLN  48          3HG       GLN  48  -3.714 -13.219  -0.380
  331   1HE2  GLN  48          2HNE      GLN  48  -0.349 -14.897   0.454
  332   2HE2  GLN  48          1HNE      GLN  48  -1.427 -13.946   1.453
  333    H    PHE  49           HN       PHE  49  -3.502  -8.079   0.350
  334    HA   PHE  49           HA       PHE  49  -0.657  -7.795   1.078
  335   1HB   PHE  49          2HB       PHE  49  -1.517  -5.794   2.371
  336   2HB   PHE  49          3HB       PHE  49  -1.703  -5.748   0.637
  337    HD1  PHE  49           HD2      PHE  49  -3.668  -6.482   3.781
  338    HD2  PHE  49           HD1      PHE  49  -3.869  -5.665  -0.425
  339    HE1  PHE  49           HE2      PHE  49  -5.992  -5.712   4.059
  340    HE2  PHE  49           HE1      PHE  49  -6.267  -5.112  -0.193
  341    HZ   PHE  49           HZ       PHE  49  -7.315  -5.030   2.064
  342    H    GLU  50           HN       GLU  50   0.197  -8.003   3.179
  343    HA   GLU  50           HA       GLU  50  -1.488  -9.466   5.195
  344   1HB   GLU  50          2HB       GLU  50   1.487  -9.664   4.550
  345   2HB   GLU  50          3HB       GLU  50   0.761 -10.272   6.024
  346   1HG   GLU  50          2HG       GLU  50  -0.821 -11.665   4.575
  347   2HG   GLU  50          3HG       GLU  50   0.140 -11.171   3.169
  348    H    GLU  51           HN       GLU  51  -1.346  -8.663   7.378
  349    HA   GLU  51           HA       GLU  51  -0.628  -5.852   7.541
  350   1HB   GLU  51          2HB       GLU  51  -2.739  -6.566   8.503
  351   2HB   GLU  51          3HB       GLU  51  -1.958  -7.854   9.428
  352   1HG   GLU  51          2HG       GLU  51  -0.857  -6.407  10.816
  353   2HG   GLU  51          3HG       GLU  51  -1.172  -4.955   9.835
  354    H    VAL  52           HN       VAL  52   1.060  -5.038   8.701
  355    HA   VAL  52           HA       VAL  52   3.164  -6.891   9.651
  356    HB   VAL  52           HB       VAL  52   3.073  -4.104   8.429
  357   1HG1  VAL  52          1HG1      VAL  52   5.381  -5.456   9.889
  358   2HG1  VAL  52          2HG1      VAL  52   5.523  -4.000   8.862
  359   3HG1  VAL  52          3HG1      VAL  52   4.551  -3.950  10.337
  360   1HG2  VAL  52          2HG2      VAL  52   3.157  -6.076   6.940
  361   2HG2  VAL  52          3HG2      VAL  52   4.534  -4.965   6.834
  362   3HG2  VAL  52          1HG2      VAL  52   4.710  -6.525   7.680
  363    H    GLU  53           HN       GLU  53   2.655  -7.251  11.755
  364    HA   GLU  53           HA       GLU  53   1.547  -5.303  13.527
  365   1HB   GLU  53          2HB       GLU  53   1.823  -7.071  15.146
  366   2HB   GLU  53          3HB       GLU  53   0.932  -7.585  13.711
  367   1HG   GLU  53          2HG       GLU  53   3.035  -8.760  12.914
  368   2HG   GLU  53          3HG       GLU  53   3.812  -8.302  14.428
  369    H    GLU  54           HN       GLU  54   3.400  -3.920  12.753
  370    HA   GLU  54           HA       GLU  54   5.622  -3.768  14.744
  371   1HB   GLU  54          2HB       GLU  54   4.580  -1.700  12.767
  372   2HB   GLU  54          3HB       GLU  54   5.896  -1.467  13.921
  373   1HG   GLU  54          2HG       GLU  54   6.595  -3.828  12.487
  374   2HG   GLU  54          3HG       GLU  54   5.996  -2.681  11.280
   
  No H/Q in entry =         374
  Start of MODEL   12
    1   1H    MET   1          1HN       MET   1  -5.451  -0.831   9.121
    2   2H    MET   1          2HN       MET   1  -6.436   0.530   9.104
    3   3H    MET   1          3HN       MET   1  -5.242   0.340   8.030
    4    HA   MET   1           HA       MET   1  -4.981   0.784  10.935
    5   1HB   MET   1          2HB       MET   1  -3.201   2.498  10.198
    6   2HB   MET   1          3HB       MET   1  -3.734   2.174   8.543
    7   1HG   MET   1          2HG       MET   1  -5.919   2.878   9.145
    8   2HG   MET   1          3HG       MET   1  -5.493   3.152  10.830
    9   1HE   MET   1          2HE       MET   1  -6.798   5.443  10.401
   10   2HE   MET   1          3HE       MET   1  -6.153   6.774   9.417
   11   3HE   MET   1          1HE       MET   1  -6.865   5.354   8.621
   12    H    LYS   2           HN       LYS   2  -2.324   1.018  11.111
   13    HA   LYS   2           HA       LYS   2  -0.310  -0.038  11.285
   14   1HB   LYS   2          2HB       LYS   2  -1.738  -2.623  10.739
   15   2HB   LYS   2          3HB       LYS   2  -0.251  -2.377  11.664
   16   1HG   LYS   2          2HG       LYS   2  -1.526  -1.188  13.435
   17   2HG   LYS   2          3HG       LYS   2  -3.039  -1.452  12.512
   18   1HD   LYS   2          2HD       LYS   2  -2.401  -3.877  12.368
   19   2HD   LYS   2          3HD       LYS   2  -1.181  -3.597  13.601
   20   1HE   LYS   2          2HE       LYS   2  -4.222  -3.177  13.764
   21   2HE   LYS   2          3HE       LYS   2  -3.350  -4.555  14.443
   22   1HZ   LYS   2          3HNZ      LYS   2  -2.986  -1.751  15.292
   23   2HZ   LYS   2          1HNZ      LYS   2  -3.845  -2.888  16.116
   24   3HZ   LYS   2          2HNZ      LYS   2  -2.219  -3.059  15.932
   25    H    LYS   3           HN       LYS   3   1.206  -1.722  10.167
   26    HA   LYS   3           HA       LYS   3   1.344  -0.649   7.446
   27   1HB   LYS   3          2HB       LYS   3   3.306  -2.279   9.087
   28   2HB   LYS   3          3HB       LYS   3   3.630  -1.472   7.549
   29   1HG   LYS   3          2HG       LYS   3   3.077   0.714   8.561
   30   2HG   LYS   3          3HG       LYS   3   2.698  -0.078  10.082
   31   1HD   LYS   3          2HD       LYS   3   4.991  -1.018  10.194
   32   2HD   LYS   3          3HD       LYS   3   5.465   0.006   8.826
   33   1HE   LYS   3          2HE       LYS   3   5.235   2.001  10.099
   34   2HE   LYS   3          3HE       LYS   3   4.072   1.276  11.220
   35   1HZ   LYS   3          2HNZ      LYS   3   6.906   0.524  11.221
   36   2HZ   LYS   3          3HNZ      LYS   3   6.184   1.597  12.256
   37   3HZ   LYS   3          1HNZ      LYS   3   5.718   0.052  12.252
   38    H    TYR   4           HN       TYR   4   2.106  -2.111   5.731
   39    HA   TYR   4           HA       TYR   4   1.075  -4.882   5.968
   40   1HB   TYR   4          2HB       TYR   4   0.021  -2.759   4.095
   41   2HB   TYR   4          3HB       TYR   4   0.009  -4.422   3.568
   42    HD1  TYR   4           HD2      TYR   4  -1.345  -2.176   6.260
   43    HD2  TYR   4           HD1      TYR   4  -1.659  -5.894   4.136
   44    HE1  TYR   4           HE2      TYR   4  -3.323  -2.767   7.586
   45    HE2  TYR   4           HE1      TYR   4  -3.629  -6.523   5.509
   46    HH   TYR   4           HOH      TYR   4  -5.005  -5.866   7.307
   47    H    THR   5           HN       THR   5   2.223  -6.398   4.800
   48    HA   THR   5           HA       THR   5   4.380  -5.554   2.963
   49    HB   THR   5           HB       THR   5   3.402  -8.394   3.408
   50    HG1  THR   5           HG1      THR   5   4.626  -8.467   5.242
   51   1HG2  THR   5          1HG2      THR   5   6.161  -7.183   2.913
   52   2HG2  THR   5          2HG2      THR   5   5.828  -8.905   3.185
   53   3HG2  THR   5          3HG2      THR   5   5.209  -8.111   1.732
   54    H    CYS   6           HN       CYN   6   4.464  -5.949   0.680
   55    HA   CYS   6           HA       CYN   6   1.924  -6.142  -0.750
   56   1HB   CYS   6          2HB       CYN   6   3.770  -4.615  -1.327
   57   2HB   CYS   6          3HB       CYN   6   4.781  -6.000  -1.736
   58    H    THR   7           HN       THR   7   3.186  -8.612   0.798
   59    HA   THR   7           HA       THR   7   3.214 -10.824   0.590
   60    HB   THR   7           HB       THR   7   1.672 -10.506  -2.030
   61    HG1  THR   7           HG1      THR   7   0.490  -9.488  -0.563
   62   1HG2  THR   7          3HG2      THR   7   1.849 -12.780  -0.022
   63   2HG2  THR   7          1HG2      THR   7   0.775 -12.702  -1.434
   64   3HG2  THR   7          2HG2      THR   7   2.525 -12.783  -1.668
   65    H    VAL   8           HN       VAL   8   3.638  -9.827  -2.849
   66    HA   VAL   8           HA       VAL   8   5.525 -12.011  -3.325
   67    HB   VAL   8           HB       VAL   8   4.561  -9.671  -5.030
   68   1HG1  VAL   8          1HG1      VAL   8   6.406 -11.979  -5.792
   69   2HG1  VAL   8          2HG1      VAL   8   5.609 -10.886  -6.945
   70   3HG1  VAL   8          3HG1      VAL   8   6.807 -10.247  -5.820
   71   1HG2  VAL   8          1HG2      VAL   8   3.991 -12.668  -5.129
   72   2HG2  VAL   8          2HG2      VAL   8   2.863 -11.416  -4.563
   73   3HG2  VAL   8          3HG2      VAL   8   3.364 -11.452  -6.260
   74    H    CYS   9           HN       CYN   9   5.791  -8.408  -3.514
   75    HA   CYS   9           HA       CYN   9   8.683  -8.635  -2.864
   76   1HB   CYS   9          2HB       CYN   9   8.722  -6.264  -3.588
   77   2HB   CYS   9          3HB       CYN   9   8.316  -7.427  -4.852
   78    H    GLY  10           HN       GLY  10   9.320  -6.677  -1.404
   79   1HA   GLY  10          2HA       GLY  10   7.874  -7.016   1.107
   80   2HA   GLY  10          3HA       GLY  10   9.264  -5.963   0.812
   81    H    TYR  11           HN       TYR  11   8.848  -4.105  -0.630
   82    HA   TYR  11           HA       TYR  11   8.163  -1.937  -0.125
   83   1HB   TYR  11          2HB       TYR  11   6.315  -3.181  -2.167
   84   2HB   TYR  11          3HB       TYR  11   6.270  -1.463  -1.797
   85    HD1  TYR  11           HD1      TYR  11   8.237   0.015  -2.141
   86    HD2  TYR  11           HD2      TYR  11   8.129  -4.041  -3.563
   87    HE1  TYR  11           HE1      TYR  11  10.119   0.504  -3.661
   88    HE2  TYR  11           HE2      TYR  11  10.017  -3.556  -5.100
   89    HH   TYR  11           HOH      TYR  11  11.467  -0.303  -5.341
   90    H    ILE  12           HN       ILE  12   7.683  -2.577   2.163
   91    HA   ILE  12           HA       ILE  12   5.058  -3.119   2.912
   92    HB   ILE  12           HB       ILE  12   7.486  -2.205   4.419
   93   1HG1  ILE  12          2HG1      ILE  12   5.578  -4.577   4.682
   94   2HG1  ILE  12          3HG1      ILE  12   6.968  -4.568   3.596
   95   1HG2  ILE  12          1HG2      ILE  12   4.683  -2.364   5.617
   96   2HG2  ILE  12          2HG2      ILE  12   6.177  -2.340   6.571
   97   3HG2  ILE  12          3HG2      ILE  12   5.745  -0.939   5.621
   98   1HD1  ILE  12          3HD1      ILE  12   8.493  -4.305   5.519
   99   2HD1  ILE  12          1HD1      ILE  12   7.102  -4.387   6.630
  100   3HD1  ILE  12          2HD1      ILE  12   7.501  -5.774   5.610
  101    H    TYR  13           HN       TYR  13   3.314  -1.967   2.769
  102    HA   TYR  13           HA       TYR  13   3.289   0.906   2.296
  103   1HB   TYR  13          2HB       TYR  13   1.585  -0.593   1.369
  104   2HB   TYR  13          3HB       TYR  13   1.122  -1.108   2.994
  105    HD1  TYR  13           HD1      TYR  13  -0.149   0.416   4.496
  106    HD2  TYR  13           HD2      TYR  13   0.706   1.440   0.433
  107    HE1  TYR  13           HE1      TYR  13  -1.613   2.402   4.658
  108    HE2  TYR  13           HE2      TYR  13  -0.231   3.733   0.809
  109    HH   TYR  13           HOH      TYR  13  -2.280   4.415   3.687
  110    H    ASN  14           HN       ASN  14   3.303   2.441   3.880
  111    HA   ASN  14           HA       ASN  14   2.677   1.647   6.685
  112   1HB   ASN  14          2HB       ASN  14   5.096   2.276   6.330
  113   2HB   ASN  14          3HB       ASN  14   4.556   3.844   5.747
  114   1HD2  ASN  14          2HND      ASN  14   5.316   4.486   9.233
  115   2HD2  ASN  14          1HND      ASN  14   5.922   4.583   7.580
  116    HA   PRO  15           HA       PRO  15  -0.606   4.388   5.486
  117   1HB   PRO  15          2HB       PRO  15  -2.072   4.356   7.881
  118   2HB   PRO  15          3HB       PRO  15  -2.229   3.136   6.606
  119   1HG   PRO  15          2HG       PRO  15  -0.744   2.940   9.182
  120   2HG   PRO  15          3HG       PRO  15  -1.535   1.671   8.201
  121   1HD   PRO  15          2HD       PRO  15   1.177   2.144   8.352
  122   2HD   PRO  15          3HD       PRO  15   0.441   1.236   7.029
  123    H    GLU  16           HN       GLU  16   1.175   4.750   8.548
  124    HA   GLU  16           HA       GLU  16   0.299   7.376   9.106
  125   1HB   GLU  16          2HB       GLU  16   2.936   5.988   9.723
  126   2HB   GLU  16          3HB       GLU  16   2.337   7.473  10.446
  127   1HG   GLU  16          2HG       GLU  16   0.221   6.087  11.106
  128   2HG   GLU  16          3HG       GLU  16   1.178   4.653  10.695
  129    H    ASP  17           HN       ASP  17   2.611   6.103   6.823
  130    HA   ASP  17           HA       ASP  17   3.749   8.790   6.149
  131   1HB   ASP  17          2HB       ASP  17   4.283   5.971   5.169
  132   2HB   ASP  17          3HB       ASP  17   5.080   7.406   4.516
  133    H    GLY  18           HN       GLY  18   1.506   6.282   5.000
  134   1HA   GLY  18          2HA       GLY  18   0.151   6.150   3.248
  135   2HA   GLY  18          3HA       GLY  18   0.332   7.890   2.941
  136    H    ASP  19           HN       ASP  19   0.430   7.384   0.694
  137    HA   ASP  19           HA       ASP  19   3.167   6.998  -0.269
  138   1HB   ASP  19          2HB       ASP  19   0.968   5.043  -0.794
  139   2HB   ASP  19          3HB       ASP  19   1.743   5.624  -2.252
  140    HA   PRO  20           HA       PRO  20   0.261  10.429  -1.565
  141   1HB   PRO  20          2HB       PRO  20   1.946  12.587  -1.126
  142   2HB   PRO  20          3HB       PRO  20   0.822  11.888   0.079
  143   1HG   PRO  20          2HG       PRO  20   3.781  11.355  -0.247
  144   2HG   PRO  20          3HG       PRO  20   2.874  11.644   1.268
  145   1HD   PRO  20          2HD       PRO  20   3.540   9.143   0.481
  146   2HD   PRO  20          3HD       PRO  20   1.948   9.460   1.222
  147    H    ASP  21           HN       ASP  21   3.730   9.907  -2.383
  148    HA   ASP  21           HA       ASP  21   3.868  11.440  -4.705
  149   1HB   ASP  21          2HB       ASP  21   5.207   8.822  -3.854
  150   2HB   ASP  21          3HB       ASP  21   5.736   9.838  -5.198
  151    H    ASN  22           HN       ASN  22   2.403   8.345  -4.027
  152    HA   ASN  22           HA       ASN  22   1.968   7.670  -6.880
  153   1HB   ASN  22          2HB       ASN  22   1.265   6.112  -4.377
  154   2HB   ASN  22          3HB       ASN  22   1.287   5.495  -6.025
  155   1HD2  ASN  22          2HND      ASN  22   4.702   5.681  -3.775
  156   2HD2  ASN  22          1HND      ASN  22   3.295   6.561  -3.295
  157    H    GLY  23           HN       GLY  23   0.375   8.808  -4.044
  158   1HA   GLY  23          2HA       GLY  23  -1.417  10.380  -4.739
  159   2HA   GLY  23          3HA       GLY  23  -2.232   9.027  -5.528
  160    H    VAL  24           HN       VAL  24  -0.703   8.217  -2.494
  161    HA   VAL  24           HA       VAL  24  -3.396   8.039  -1.184
  162    HB   VAL  24           HB       VAL  24  -0.878   6.383  -1.064
  163   1HG1  VAL  24          3HG1      VAL  24  -3.399   6.164   0.595
  164   2HG1  VAL  24          1HG1      VAL  24  -2.190   4.878   0.435
  165   3HG1  VAL  24          2HG1      VAL  24  -1.736   6.416   1.191
  166   1HG2  VAL  24          2HG2      VAL  24  -2.397   5.986  -3.017
  167   2HG2  VAL  24          3HG2      VAL  24  -2.334   4.597  -1.917
  168   3HG2  VAL  24          1HG2      VAL  24  -3.735   5.690  -1.891
  169    H    ASN  25           HN       ASN  25  -3.642   9.594   0.309
  170    HA   ASN  25           HA       ASN  25  -1.473  11.213   1.230
  171   1HB   ASN  25          2HB       ASN  25  -4.411  10.926   1.961
  172   2HB   ASN  25          3HB       ASN  25  -3.353  11.907   2.962
  173   1HD2  ASN  25          2HND      ASN  25  -4.070  13.197  -0.890
  174   2HD2  ASN  25          1HND      ASN  25  -4.247  11.495  -0.536
  175    HA   PRO  26           HA       PRO  26  -0.174   8.967   4.881
  176   1HB   PRO  26          2HB       PRO  26   0.198  11.012   6.728
  177   2HB   PRO  26          3HB       PRO  26   1.376  10.486   5.506
  178   1HG   PRO  26          2HG       PRO  26  -0.497  12.831   5.400
  179   2HG   PRO  26          3HG       PRO  26   1.197  12.685   4.813
  180   1HD   PRO  26          2HD       PRO  26  -1.013  12.551   3.158
  181   2HD   PRO  26          3HD       PRO  26   0.506  11.674   2.814
  182    H    GLY  27           HN       GLY  27  -1.016   8.206   6.718
  183   1HA   GLY  27          2HA       GLY  27  -2.590   7.574   8.221
  184   2HA   GLY  27          3HA       GLY  27  -3.409   9.141   8.049
  185    H    THR  28           HN       THR  28  -2.869   7.189   5.039
  186    HA   THR  28           HA       THR  28  -5.795   6.804   4.981
  187    HB   THR  28           HB       THR  28  -3.585   6.328   2.940
  188    HG1  THR  28           HG1      THR  28  -3.983   8.486   3.169
  189   1HG2  THR  28          3HG2      THR  28  -6.606   6.054   2.801
  190   2HG2  THR  28          1HG2      THR  28  -5.555   6.104   1.367
  191   3HG2  THR  28          2HG2      THR  28  -5.376   4.791   2.547
  192    H    ASP  29           HN       ASP  29  -6.600   4.994   5.728
  193    HA   ASP  29           HA       ASP  29  -5.084   2.729   6.584
  194   1HB   ASP  29          2HB       ASP  29  -7.488   3.451   7.208
  195   2HB   ASP  29          3HB       ASP  29  -7.983   2.734   5.693
  196    H    PHE  30           HN       PHE  30  -4.421   0.989   5.472
  197    HA   PHE  30           HA       PHE  30  -4.227   0.727   2.714
  198   1HB   PHE  30          2HB       PHE  30  -3.280  -0.700   4.700
  199   2HB   PHE  30          3HB       PHE  30  -4.739  -1.669   4.523
  200    HD1  PHE  30           HD2      PHE  30  -5.215  -2.582   2.052
  201    HD2  PHE  30           HD1      PHE  30  -1.398  -1.167   3.431
  202    HE1  PHE  30           HE2      PHE  30  -4.181  -3.275  -0.063
  203    HE2  PHE  30           HE1      PHE  30  -0.340  -2.003   1.337
  204    HZ   PHE  30           HZ       PHE  30  -1.755  -2.923  -0.455
  205    H    LYS  31           HN       LYS  31  -7.120   0.015   4.806
  206    HA   LYS  31           HA       LYS  31  -8.363  -1.470   2.612
  207   1HB   LYS  31          2HB       LYS  31 -10.324  -1.574   3.858
  208   2HB   LYS  31          3HB       LYS  31  -8.951  -1.854   4.950
  209   1HG   LYS  31          2HG       LYS  31  -9.057   0.622   5.505
  210   2HG   LYS  31          3HG       LYS  31 -10.534   0.714   4.574
  211   1HD   LYS  31          2HD       LYS  31 -11.570  -0.981   6.012
  212   2HD   LYS  31          3HD       LYS  31 -10.061  -1.088   6.961
  213   1HE   LYS  31          2HE       LYS  31 -10.227   1.335   7.537
  214   2HE   LYS  31          3HE       LYS  31 -11.686   1.495   6.554
  215   1HZ   LYS  31          3HNZ      LYS  31 -11.435  -0.163   8.969
  216   2HZ   LYS  31          1HNZ      LYS  31 -12.171   1.308   8.871
  217   3HZ   LYS  31          2HNZ      LYS  31 -12.804   0.021   8.060
  218    H    ASP  32           HN       ASP  32  -8.285   1.879   3.711
  219    HA   ASP  32           HA       ASP  32 -10.454   2.829   2.063
  220   1HB   ASP  32          2HB       ASP  32  -8.275   4.299   3.611
  221   2HB   ASP  32          3HB       ASP  32  -9.678   5.050   2.859
  222    H    ILE  33           HN       ILE  33  -6.997   2.200   1.511
  223    HA   ILE  33           HA       ILE  33  -6.374   4.012  -0.429
  224    HB   ILE  33           HB       ILE  33  -5.796   1.082  -0.259
  225   1HG1  ILE  33          2HG1      ILE  33  -4.415   3.606   0.667
  226   2HG1  ILE  33          3HG1      ILE  33  -4.999   2.363   1.700
  227   1HG2  ILE  33          2HG2      ILE  33  -5.334   2.001  -2.507
  228   2HG2  ILE  33          3HG2      ILE  33  -4.189   3.116  -1.712
  229   3HG2  ILE  33          1HG2      ILE  33  -3.969   1.343  -1.604
  230   1HD1  ILE  33          2HD1      ILE  33  -3.330   0.760   0.519
  231   2HD1  ILE  33          3HD1      ILE  33  -2.559   2.262  -0.072
  232   3HD1  ILE  33          1HD1      ILE  33  -2.714   1.948   1.662
  233    HA   PRO  34           HA       PRO  34  -9.561   2.929  -3.443
  234   1HB   PRO  34          2HB       PRO  34  -8.231   4.047  -5.709
  235   2HB   PRO  34          3HB       PRO  34  -9.439   4.817  -4.664
  236   1HG   PRO  34          2HG       PRO  34  -6.560   5.349  -4.813
  237   2HG   PRO  34          3HG       PRO  34  -7.798   6.215  -3.862
  238   1HD   PRO  34          2HD       PRO  34  -5.843   4.244  -2.930
  239   2HD   PRO  34          3HD       PRO  34  -6.935   5.242  -1.969
  240    H    ASP  35           HN       ASP  35  -9.889   1.113  -4.798
  241    HA   ASP  35           HA       ASP  35  -7.864  -0.806  -5.157
  242   1HB   ASP  35          2HB       ASP  35 -10.726  -0.345  -6.026
  243   2HB   ASP  35          3HB       ASP  35  -9.765  -1.622  -6.733
  244    H    ASP  36           HN       ASP  36  -8.525   2.049  -6.955
  245    HA   ASP  36           HA       ASP  36  -7.385   1.290  -9.456
  246   1HB   ASP  36          2HB       ASP  36  -8.506   3.601  -8.243
  247   2HB   ASP  36          3HB       ASP  36  -6.989   4.001  -9.049
  248    H    TRP  37           HN       TRP  37  -6.023   1.874  -6.320
  249    HA   TRP  37           HA       TRP  37  -3.501   2.966  -7.290
  250   1HB   TRP  37          2HB       TRP  37  -4.477   3.667  -5.143
  251   2HB   TRP  37          3HB       TRP  37  -4.393   2.005  -4.581
  252    HD1  TRP  37           HD       TRP  37  -1.987   4.902  -5.353
  253    HE1  TRP  37           HNE      TRP  37   0.132   4.528  -3.948
  254    HE3  TRP  37           HE       TRP  37  -2.970   0.221  -3.710
  255    HZ2  TRP  37           HZ1      TRP  37   1.260   2.431  -2.296
  256    HZ3  TRP  37           HZ2      TRP  37  -1.321  -1.018  -2.276
  257    HH2  TRP  37           HH       TRP  37   0.798   0.085  -1.592
  258    H    VAL  38           HN       VAL  38  -1.491   1.990  -7.094
  259    HA   VAL  38           HA       VAL  38  -1.392  -0.984  -7.158
  260    HB   VAL  38           HB       VAL  38   0.380  -0.502  -8.989
  261   1HG1  VAL  38          1HG1      VAL  38  -2.602  -0.164  -9.513
  262   2HG1  VAL  38          2HG1      VAL  38  -1.391  -0.400 -10.790
  263   3HG1  VAL  38          3HG1      VAL  38  -1.639  -1.659  -9.579
  264   1HG2  VAL  38          3HG2      VAL  38   0.402   2.000  -8.655
  265   2HG2  VAL  38          1HG2      VAL  38   0.135   1.478 -10.327
  266   3HG2  VAL  38          2HG2      VAL  38  -1.230   2.057  -9.365
  267    H    CYS  39           HN       CYN  39   0.717  -1.889  -6.710
  268    HA   CYS  39           HA       CYN  39   1.883  -0.694  -4.426
  269   1HB   CYS  39          2HB       CYN  39   1.888  -3.003  -4.554
  270   2HB   CYS  39          3HB       CYN  39   2.555  -3.029  -6.180
  271    HA   PRO  40           HA       PRO  40   4.695   2.122  -6.427
  272   1HB   PRO  40          2HB       PRO  40   6.418   2.720  -4.397
  273   2HB   PRO  40          3HB       PRO  40   4.710   3.239  -4.408
  274   1HG   PRO  40          2HG       PRO  40   5.863   0.814  -3.014
  275   2HG   PRO  40          3HG       PRO  40   4.807   2.083  -2.320
  276   1HD   PRO  40          2HD       PRO  40   3.792  -0.256  -3.217
  277   2HD   PRO  40          3HD       PRO  40   2.926   1.278  -3.517
  278    H    LEU  41           HN       LEU  41   5.514   0.666  -7.934
  279    HA   LEU  41           HA       LEU  41   7.372   0.120  -9.175
  280   1HB   LEU  41          2HB       LEU  41   9.067  -0.083  -6.665
  281   2HB   LEU  41          3HB       LEU  41   9.605  -0.103  -8.329
  282    HG   LEU  41           HG       LEU  41   8.303   2.286  -6.948
  283   1HD1  LEU  41          1HD1      LEU  41  11.194   1.722  -7.719
  284   2HD1  LEU  41          2HD1      LEU  41  10.574   3.244  -7.044
  285   3HD1  LEU  41          3HD1      LEU  41  10.533   1.765  -6.071
  286   1HD2  LEU  41          3HD2      LEU  41   9.562   1.969  -9.718
  287   2HD2  LEU  41          1HD2      LEU  41   7.852   2.323  -9.375
  288   3HD2  LEU  41          2HD2      LEU  41   9.094   3.519  -8.985
  289    H    CYS  42           HN       CYN  42   5.548  -1.561  -8.960
  290    HA   CYS  42           HA       CYN  42   6.828  -4.228  -8.677
  291   1HB   CYS  42          2HB       CYN  42   5.891  -3.778  -6.558
  292   2HB   CYS  42          3HB       CYN  42   4.421  -3.105  -7.284
  293    H    GLY  43           HN       GLY  43   3.376  -3.744  -8.996
  294   1HA   GLY  43          2HA       GLY  43   2.899  -3.153 -11.640
  295   2HA   GLY  43          3HA       GLY  43   3.402  -4.856 -11.691
  296    H    VAL  44           HN       VAL  44   2.364  -5.690  -9.158
  297    HA   VAL  44           HA       VAL  44  -0.360  -6.188  -9.998
  298    HB   VAL  44           HB       VAL  44   1.066  -6.951  -7.420
  299   1HG1  VAL  44          2HG1      VAL  44  -1.508  -7.976  -8.715
  300   2HG1  VAL  44          3HG1      VAL  44  -0.660  -8.792  -7.388
  301   3HG1  VAL  44          1HG1      VAL  44  -1.348  -7.192  -7.129
  302   1HG2  VAL  44          3HG2      VAL  44   0.680  -8.476 -10.042
  303   2HG2  VAL  44          1HG2      VAL  44   2.228  -7.888  -9.399
  304   3HG2  VAL  44          2HG2      VAL  44   1.351  -9.158  -8.548
  305    H    GLY  45           HN       GLY  45  -2.281  -5.583  -8.900
  306   1HA   GLY  45          2HA       GLY  45  -2.297  -2.866  -7.824
  307   2HA   GLY  45          3HA       GLY  45  -3.679  -3.923  -8.131
  308    H    LYS  46           HN       LYS  46  -3.877  -2.591  -5.813
  309    HA   LYS  46           HA       LYS  46  -2.884  -4.186  -3.579
  310   1HB   LYS  46          2HB       LYS  46  -4.365  -3.082  -2.217
  311   2HB   LYS  46          3HB       LYS  46  -3.640  -1.892  -3.287
  312   1HG   LYS  46          2HG       LYS  46  -5.753  -1.884  -4.644
  313   2HG   LYS  46          3HG       LYS  46  -6.493  -2.982  -3.463
  314   1HD   LYS  46          2HD       LYS  46  -5.581  -0.190  -2.891
  315   2HD   LYS  46          3HD       LYS  46  -7.235  -0.780  -3.067
  316   1HE   LYS  46          2HE       LYS  46  -6.247  -2.509  -1.109
  317   2HE   LYS  46          3HE       LYS  46  -5.398  -1.017  -0.756
  318   1HZ   LYS  46          3HNZ      LYS  46  -7.737   0.022  -0.917
  319   2HZ   LYS  46          1HNZ      LYS  46  -8.313  -1.491  -0.787
  320   3HZ   LYS  46          2HNZ      LYS  46  -7.348  -0.837   0.415
  321    H    ASP  47           HN       ASP  47  -3.283  -6.375  -3.767
  322    HA   ASP  47           HA       ASP  47  -6.156  -7.229  -3.727
  323   1HB   ASP  47          2HB       ASP  47  -3.974  -8.301  -5.568
  324   2HB   ASP  47          3HB       ASP  47  -5.285  -9.335  -4.981
  325    H    GLN  48           HN       GLN  48  -2.899  -8.641  -3.612
  326    HA   GLN  48           HA       GLN  48  -3.617 -10.085  -1.118
  327   1HB   GLN  48          2HB       GLN  48  -2.571 -11.024  -3.460
  328   2HB   GLN  48          3HB       GLN  48  -1.076 -10.625  -2.622
  329   1HG   GLN  48          2HG       GLN  48  -1.480 -12.854  -2.096
  330   2HG   GLN  48          3HG       GLN  48  -2.041 -12.015  -0.642
  331   1HE2  GLN  48          2HNE      GLN  48  -4.518 -14.630  -2.108
  332   2HE2  GLN  48          1HNE      GLN  48  -2.773 -14.718  -1.929
  333    H    PHE  49           HN       PHE  49  -3.167  -8.815   0.653
  334    HA   PHE  49           HA       PHE  49  -0.434  -7.737   0.918
  335   1HB   PHE  49          2HB       PHE  49  -1.540  -5.612   1.895
  336   2HB   PHE  49          3HB       PHE  49  -1.435  -5.781   0.166
  337    HD1  PHE  49           HD2      PHE  49  -3.823  -5.865   3.016
  338    HD2  PHE  49           HD1      PHE  49  -3.373  -6.106  -1.255
  339    HE1  PHE  49           HE2      PHE  49  -6.221  -5.338   2.742
  340    HE2  PHE  49           HE1      PHE  49  -5.811  -5.677  -1.525
  341    HZ   PHE  49           HZ       PHE  49  -7.223  -5.242   0.463
  342    H    GLU  50           HN       GLU  50   0.393  -8.105   2.913
  343    HA   GLU  50           HA       GLU  50  -1.357  -9.545   4.888
  344   1HB   GLU  50          2HB       GLU  50   1.660  -9.510   4.445
  345   2HB   GLU  50          3HB       GLU  50   0.841 -10.397   5.721
  346   1HG   GLU  50          2HG       GLU  50  -0.320 -11.793   4.048
  347   2HG   GLU  50          3HG       GLU  50   0.417 -10.863   2.727
  348    H    GLU  51           HN       GLU  51  -1.306  -8.753   7.163
  349    HA   GLU  51           HA       GLU  51  -0.585  -5.964   7.379
  350   1HB   GLU  51          2HB       GLU  51  -2.661  -6.772   8.352
  351   2HB   GLU  51          3HB       GLU  51  -1.805  -8.034   9.265
  352   1HG   GLU  51          2HG       GLU  51  -0.691  -6.481  10.577
  353   2HG   GLU  51          3HG       GLU  51  -1.270  -5.070   9.658
  354    H    VAL  52           HN       VAL  52   1.065  -5.121   8.592
  355    HA   VAL  52           HA       VAL  52   3.224  -6.872   9.628
  356    HB   VAL  52           HB       VAL  52   3.075  -4.176   8.225
  357   1HG1  VAL  52          1HG1      VAL  52   5.452  -5.376   9.687
  358   2HG1  VAL  52          2HG1      VAL  52   5.498  -3.948   8.619
  359   3HG1  VAL  52          3HG1      VAL  52   4.575  -3.884  10.124
  360   1HG2  VAL  52          1HG2      VAL  52   3.187  -6.167   6.823
  361   2HG2  VAL  52          2HG2      VAL  52   4.577  -5.076   6.687
  362   3HG2  VAL  52          3HG2      VAL  52   4.732  -6.606   7.593
  363    H    GLU  53           HN       GLU  53   2.764  -7.030  11.802
  364    HA   GLU  53           HA       GLU  53   1.344  -5.001  13.236
  365   1HB   GLU  53          2HB       GLU  53   1.487  -6.576  15.021
  366   2HB   GLU  53          3HB       GLU  53   0.831  -7.280  13.540
  367   1HG   GLU  53          2HG       GLU  53   3.062  -8.410  13.157
  368   2HG   GLU  53          3HG       GLU  53   3.636  -7.738  14.682
  369    H    GLU  54           HN       GLU  54   3.350  -3.622  12.520
  370    HA   GLU  54           HA       GLU  54   4.725  -2.883  14.990
  371   1HB   GLU  54          2HB       GLU  54   7.012  -2.936  13.954
  372   2HB   GLU  54          3HB       GLU  54   6.340  -4.535  14.301
  373   1HG   GLU  54          2HG       GLU  54   5.789  -4.897  11.975
  374   2HG   GLU  54          3HG       GLU  54   6.230  -3.221  11.562
   
  No H/Q in entry =         374
  Start of MODEL   13
    1   1H    MET   1          1HN       MET   1  -6.108  -0.678   9.662
    2   2H    MET   1          2HN       MET   1  -6.806   0.842   9.549
    3   3H    MET   1          3HN       MET   1  -5.796   0.316   8.427
    4    HA   MET   1           HA       MET   1  -5.102   0.881  11.254
    5   1HB   MET   1          2HB       MET   1  -3.274   2.365  10.161
    6   2HB   MET   1          3HB       MET   1  -4.134   2.096   8.656
    7   1HG   MET   1          2HG       MET   1  -6.171   2.972   9.854
    8   2HG   MET   1          3HG       MET   1  -5.165   3.421  11.213
    9   1HE   MET   1          2HE       MET   1  -2.616   4.767  10.219
   10   2HE   MET   1          3HE       MET   1  -3.132   6.443   9.930
   11   3HE   MET   1          1HE       MET   1  -3.726   5.571  11.355
   12    H    LYS   2           HN       LYS   2  -2.591   0.803  11.319
   13    HA   LYS   2           HA       LYS   2  -0.675  -0.346  11.409
   14   1HB   LYS   2          2HB       LYS   2  -2.171  -2.817  10.537
   15   2HB   LYS   2          3HB       LYS   2  -0.658  -2.701  11.450
   16   1HG   LYS   2          2HG       LYS   2  -2.023  -1.533  13.302
   17   2HG   LYS   2          3HG       LYS   2  -3.475  -2.061  12.385
   18   1HD   LYS   2          2HD       LYS   2  -2.197  -4.330  12.259
   19   2HD   LYS   2          3HD       LYS   2  -1.272  -3.737  13.625
   20   1HE   LYS   2          2HE       LYS   2  -4.339  -4.024  13.492
   21   2HE   LYS   2          3HE       LYS   2  -3.270  -5.279  14.114
   22   1HZ   LYS   2          1HNZ      LYS   2  -3.470  -2.568  15.241
   23   2HZ   LYS   2          2HNZ      LYS   2  -4.152  -3.929  15.880
   24   3HZ   LYS   2          3HNZ      LYS   2  -2.513  -3.787  15.800
   25    H    LYS   3           HN       LYS   3   0.896  -1.748  10.146
   26    HA   LYS   3           HA       LYS   3   1.051  -0.628   7.453
   27   1HB   LYS   3          2HB       LYS   3   2.962  -2.348   9.078
   28   2HB   LYS   3          3HB       LYS   3   3.330  -1.509   7.565
   29   1HG   LYS   3          2HG       LYS   3   2.763   0.654   8.628
   30   2HG   LYS   3          3HG       LYS   3   2.393  -0.158  10.126
   31   1HD   LYS   3          2HD       LYS   3   4.807  -1.056  10.117
   32   2HD   LYS   3          3HD       LYS   3   5.126   0.163   8.866
   33   1HE   LYS   3          2HE       LYS   3   4.297   1.948  10.443
   34   2HE   LYS   3          3HE       LYS   3   3.933   0.708  11.649
   35   1HZ   LYS   3          2HNZ      LYS   3   6.262   0.183  11.744
   36   2HZ   LYS   3          3HNZ      LYS   3   6.631   1.331  10.655
   37   3HZ   LYS   3          1HNZ      LYS   3   6.003   1.751  12.122
   38    H    TYR   4           HN       TYR   4   1.741  -2.094   5.715
   39    HA   TYR   4           HA       TYR   4   0.697  -4.846   5.938
   40   1HB   TYR   4          2HB       TYR   4  -0.390  -2.939   3.791
   41   2HB   TYR   4          3HB       TYR   4  -0.362  -4.660   3.654
   42    HD1  TYR   4           HD2      TYR   4  -1.575  -2.195   6.283
   43    HD2  TYR   4           HD1      TYR   4  -2.342  -5.702   3.943
   44    HE1  TYR   4           HE2      TYR   4  -3.396  -2.837   7.827
   45    HE2  TYR   4           HE1      TYR   4  -4.308  -6.231   5.354
   46    HH   TYR   4           HOH      TYR   4  -4.701  -4.918   8.478
   47    H    THR   5           HN       THR   5   1.763  -6.331   4.644
   48    HA   THR   5           HA       THR   5   4.107  -5.200   3.144
   49    HB   THR   5           HB       THR   5   4.598  -6.929   4.814
   50    HG1  THR   5           HG1      THR   5   6.130  -6.880   3.379
   51   1HG2  THR   5          2HG2      THR   5   3.085  -8.793   2.934
   52   2HG2  THR   5          3HG2      THR   5   4.123  -9.283   4.282
   53   3HG2  THR   5          1HG2      THR   5   2.644  -8.368   4.609
   54    H    CYS   6           HN       CYN   6   4.668  -6.186   1.108
   55    HA   CYS   6           HA       CYN   6   2.372  -6.287  -0.759
   56   1HB   CYS   6          2HB       CYN   6   4.215  -4.769  -1.260
   57   2HB   CYS   6          3HB       CYN   6   5.370  -6.099  -1.185
   58    H    THR   7           HN       THR   7   4.830  -8.060  -2.090
   59    HA   THR   7           HA       THR   7   4.267 -10.622  -0.830
   60    HB   THR   7           HB       THR   7   2.185 -10.161  -2.099
   61    HG1  THR   7           HG1      THR   7   2.823 -12.262  -1.766
   62   1HG2  THR   7          3HG2      THR   7   3.204  -8.903  -4.037
   63   2HG2  THR   7          1HG2      THR   7   3.817 -10.468  -4.640
   64   3HG2  THR   7          2HG2      THR   7   2.078 -10.194  -4.481
   65    H    VAL   8           HN       VAL   8   5.572  -8.946  -3.737
   66    HA   VAL   8           HA       VAL   8   7.777 -10.966  -3.813
   67    HB   VAL   8           HB       VAL   8   6.736 -11.041  -5.834
   68   1HG1  VAL   8          3HG1      VAL   8   5.301  -9.033  -5.816
   69   2HG1  VAL   8          1HG1      VAL   8   6.709  -8.010  -6.160
   70   3HG1  VAL   8          2HG1      VAL   8   6.181  -9.221  -7.326
   71   1HG2  VAL   8          2HG2      VAL   8   9.233 -10.796  -5.913
   72   2HG2  VAL   8          3HG2      VAL   8   8.409 -10.341  -7.416
   73   3HG2  VAL   8          1HG2      VAL   8   9.015  -9.082  -6.331
   74    H    CYS   9           HN       CYN   9   7.466  -7.419  -4.469
   75    HA   CYS   9           HA       CYN   9  10.270  -6.982  -4.062
   76   1HB   CYS   9          2HB       CYN   9   9.471  -4.572  -4.114
   77   2HB   CYS   9          3HB       CYN   9   9.093  -5.568  -5.530
   78    H    GLY  10           HN       GLY  10   7.387  -6.569  -2.065
   79   1HA   GLY  10          2HA       GLY  10   7.240  -6.735   0.273
   80   2HA   GLY  10          3HA       GLY  10   9.002  -6.749   0.402
   81    H    TYR  11           HN       TYR  11   7.237  -4.293  -1.500
   82    HA   TYR  11           HA       TYR  11   8.167  -2.104   0.156
   83   1HB   TYR  11          2HB       TYR  11   6.258  -2.366  -2.163
   84   2HB   TYR  11          3HB       TYR  11   6.249  -0.912  -1.176
   85    HD1  TYR  11           HD1      TYR  11   8.313   0.465  -0.854
   86    HD2  TYR  11           HD2      TYR  11   7.992  -2.588  -3.865
   87    HE1  TYR  11           HE1      TYR  11  10.384   1.296  -1.917
   88    HE2  TYR  11           HE2      TYR  11  10.127  -1.837  -4.867
   89    HH   TYR  11           HOH      TYR  11  11.970   0.930  -3.531
   90    H    ILE  12           HN       ILE  12   7.611  -2.834   2.223
   91    HA   ILE  12           HA       ILE  12   4.999  -3.190   3.183
   92    HB   ILE  12           HB       ILE  12   7.526  -2.178   4.483
   93   1HG1  ILE  12          2HG1      ILE  12   5.810  -4.673   4.897
   94   2HG1  ILE  12          3HG1      ILE  12   7.125  -4.593   3.726
   95   1HG2  ILE  12          2HG2      ILE  12   4.794  -2.499   5.812
   96   2HG2  ILE  12          3HG2      ILE  12   6.324  -2.378   6.701
   97   3HG2  ILE  12          1HG2      ILE  12   5.770  -1.016   5.755
   98   1HD1  ILE  12          1HD1      ILE  12   8.748  -4.148   5.523
   99   2HD1  ILE  12          2HD1      ILE  12   7.452  -4.306   6.735
  100   3HD1  ILE  12          3HD1      ILE  12   7.893  -5.690   5.726
  101    H    TYR  13           HN       TYR  13   3.316  -1.968   2.917
  102    HA   TYR  13           HA       TYR  13   3.444   0.916   2.424
  103   1HB   TYR  13          2HB       TYR  13   1.776  -0.426   1.280
  104   2HB   TYR  13          3HB       TYR  13   1.191  -1.089   2.808
  105    HD1  TYR  13           HD2      TYR  13  -0.098   0.293   4.373
  106    HD2  TYR  13           HD1      TYR  13   0.809   1.599   0.436
  107    HE1  TYR  13           HE2      TYR  13  -1.572   2.269   4.695
  108    HE2  TYR  13           HE1      TYR  13  -0.326   3.788   0.873
  109    HH   TYR  13           HOH      TYR  13  -2.364   4.327   3.774
  110    H    ASN  14           HN       ASN  14   3.208   2.446   4.002
  111    HA   ASN  14           HA       ASN  14   2.465   1.602   6.763
  112   1HB   ASN  14          2HB       ASN  14   4.908   2.140   6.542
  113   2HB   ASN  14          3HB       ASN  14   4.474   3.727   5.923
  114   1HD2  ASN  14          2HND      ASN  14   5.126   4.338   9.445
  115   2HD2  ASN  14          1HND      ASN  14   5.794   4.398   7.820
  116    HA   PRO  15           HA       PRO  15  -0.734   4.354   5.485
  117   1HB   PRO  15          2HB       PRO  15  -2.278   4.383   7.839
  118   2HB   PRO  15          3HB       PRO  15  -2.369   3.147   6.582
  119   1HG   PRO  15          2HG       PRO  15  -0.878   3.101   9.201
  120   2HG   PRO  15          3HG       PRO  15  -1.713   1.758   8.376
  121   1HD   PRO  15          2HD       PRO  15   0.970   2.103   8.407
  122   2HD   PRO  15          3HD       PRO  15   0.174   1.261   7.072
  123    H    GLU  16           HN       GLU  16   0.938   4.832   8.582
  124    HA   GLU  16           HA       GLU  16   0.070   7.504   8.984
  125   1HB   GLU  16          2HB       GLU  16   2.621   6.076   9.812
  126   2HB   GLU  16          3HB       GLU  16   2.034   7.623  10.417
  127   1HG   GLU  16          2HG       GLU  16  -0.169   6.362  11.017
  128   2HG   GLU  16          3HG       GLU  16   0.736   4.866  10.732
  129    H    ASP  17           HN       ASP  17   2.454   6.068   6.879
  130    HA   ASP  17           HA       ASP  17   3.681   8.689   6.136
  131   1HB   ASP  17          2HB       ASP  17   4.186   5.833   5.270
  132   2HB   ASP  17          3HB       ASP  17   5.063   7.230   4.649
  133    H    GLY  18           HN       GLY  18   1.420   6.215   5.016
  134   1HA   GLY  18          2HA       GLY  18   0.107   6.013   3.236
  135   2HA   GLY  18          3HA       GLY  18   0.338   7.719   2.818
  136    H    ASP  19           HN       ASP  19   0.547   7.135   0.620
  137    HA   ASP  19           HA       ASP  19   3.293   6.596  -0.187
  138   1HB   ASP  19          2HB       ASP  19   1.159   4.612  -0.615
  139   2HB   ASP  19          3HB       ASP  19   1.814   5.137  -2.142
  140    HA   PRO  20           HA       PRO  20   0.554  10.040  -1.780
  141   1HB   PRO  20          2HB       PRO  20   2.324  12.149  -1.421
  142   2HB   PRO  20          3HB       PRO  20   1.144  11.570  -0.206
  143   1HG   PRO  20          2HG       PRO  20   4.081  10.888  -0.431
  144   2HG   PRO  20          3HG       PRO  20   3.160  11.313   1.042
  145   1HD   PRO  20          2HD       PRO  20   3.717   8.743   0.436
  146   2HD   PRO  20          3HD       PRO  20   2.119   9.180   1.100
  147    H    ASP  21           HN       ASP  21   4.039   9.405  -2.433
  148    HA   ASP  21           HA       ASP  21   4.379  10.726  -4.818
  149   1HB   ASP  21          2HB       ASP  21   5.448   8.017  -3.877
  150   2HB   ASP  21          3HB       ASP  21   6.177   9.048  -5.111
  151    H    ASN  22           HN       ASN  22   2.636   7.804  -4.089
  152    HA   ASN  22           HA       ASN  22   2.294   6.998  -6.924
  153   1HB   ASN  22          2HB       ASN  22   1.406   5.653  -4.363
  154   2HB   ASN  22          3HB       ASN  22   1.444   4.912  -5.965
  155   1HD2  ASN  22          2HND      ASN  22   4.694   5.047  -3.469
  156   2HD2  ASN  22          1HND      ASN  22   3.338   6.070  -3.210
  157    H    GLY  23           HN       GLY  23   0.636   8.249  -4.163
  158   1HA   GLY  23          2HA       GLY  23  -1.093   9.859  -4.997
  159   2HA   GLY  23          3HA       GLY  23  -1.923   8.475  -5.715
  160    H    VAL  24           HN       VAL  24  -0.488   7.740  -2.621
  161    HA   VAL  24           HA       VAL  24  -3.214   7.798  -1.370
  162    HB   VAL  24           HB       VAL  24  -0.799   6.020  -1.012
  163   1HG1  VAL  24          2HG1      VAL  24  -3.383   6.213   0.564
  164   2HG1  VAL  24          3HG1      VAL  24  -2.356   4.770   0.554
  165   3HG1  VAL  24          1HG1      VAL  24  -1.713   6.299   1.191
  166   1HG2  VAL  24          3HG2      VAL  24  -2.355   5.607  -2.973
  167   2HG2  VAL  24          1HG2      VAL  24  -2.309   4.274  -1.799
  168   3HG2  VAL  24          2HG2      VAL  24  -3.683   5.401  -1.822
  169    H    ASN  25           HN       ASN  25  -3.445   9.449  -0.004
  170    HA   ASN  25           HA       ASN  25  -1.242  11.046   0.889
  171   1HB   ASN  25          2HB       ASN  25  -4.215  10.919   1.522
  172   2HB   ASN  25          3HB       ASN  25  -3.153  11.922   2.497
  173   1HD2  ASN  25          2HND      ASN  25  -3.541  12.973  -1.480
  174   2HD2  ASN  25          1HND      ASN  25  -3.633  11.278  -1.064
  175    HA   PRO  26           HA       PRO  26  -0.141   8.967   4.692
  176   1HB   PRO  26          2HB       PRO  26   0.207  11.135   6.429
  177   2HB   PRO  26          3HB       PRO  26   1.420  10.442   5.335
  178   1HG   PRO  26          2HG       PRO  26  -0.290  12.881   4.943
  179   2HG   PRO  26          3HG       PRO  26   1.402  12.581   4.421
  180   1HD   PRO  26          2HD       PRO  26  -0.766  12.458   2.723
  181   2HD   PRO  26          3HD       PRO  26   0.707  11.471   2.491
  182    H    GLY  27           HN       GLY  27  -1.104   8.249   6.496
  183   1HA   GLY  27          2HA       GLY  27  -2.694   7.893   8.085
  184   2HA   GLY  27          3HA       GLY  27  -3.464   9.446   7.715
  185    H    THR  28           HN       THR  28  -2.927   7.207   4.924
  186    HA   THR  28           HA       THR  28  -5.857   6.890   4.862
  187    HB   THR  28           HB       THR  28  -3.663   6.185   2.876
  188    HG1  THR  28           HG1      THR  28  -3.917   8.383   2.950
  189   1HG2  THR  28          1HG2      THR  28  -6.707   6.129   2.729
  190   2HG2  THR  28          2HG2      THR  28  -5.628   5.973   1.320
  191   3HG2  THR  28          3HG2      THR  28  -5.583   4.754   2.610
  192    H    ASP  29           HN       ASP  29  -6.646   5.203   5.835
  193    HA   ASP  29           HA       ASP  29  -5.219   2.941   6.790
  194   1HB   ASP  29          2HB       ASP  29  -7.575   3.789   7.395
  195   2HB   ASP  29          3HB       ASP  29  -8.127   3.001   5.934
  196    H    PHE  30           HN       PHE  30  -4.716   1.059   5.825
  197    HA   PHE  30           HA       PHE  30  -4.469   0.640   3.078
  198   1HB   PHE  30          2HB       PHE  30  -3.658  -0.733   5.187
  199   2HB   PHE  30          3HB       PHE  30  -5.127  -1.673   4.935
  200    HD1  PHE  30           HD1      PHE  30  -1.986  -0.470   3.542
  201    HD2  PHE  30           HD2      PHE  30  -5.299  -3.086   2.809
  202    HE1  PHE  30           HE1      PHE  30  -0.840  -1.307   1.502
  203    HE2  PHE  30           HE2      PHE  30  -4.157  -3.948   0.782
  204    HZ   PHE  30           HZ       PHE  30  -1.837  -3.119   0.240
  205    H    LYS  31           HN       LYS  31  -7.373   0.202   5.187
  206    HA   LYS  31           HA       LYS  31  -8.688  -1.421   3.158
  207   1HB   LYS  31          2HB       LYS  31 -10.637  -1.301   4.449
  208   2HB   LYS  31          3HB       LYS  31  -9.253  -1.513   5.542
  209   1HG   LYS  31          2HG       LYS  31  -9.240   1.027   5.788
  210   2HG   LYS  31          3HG       LYS  31 -10.742   1.036   4.881
  211   1HD   LYS  31          2HD       LYS  31 -11.761  -0.445   6.609
  212   2HD   LYS  31          3HD       LYS  31 -10.214  -0.454   7.471
  213   1HE   LYS  31          2HE       LYS  31 -11.796   1.179   8.511
  214   2HE   LYS  31          3HE       LYS  31 -10.329   1.953   7.903
  215   1HZ   LYS  31          2HNZ      LYS  31 -11.555   2.668   5.946
  216   2HZ   LYS  31          3HNZ      LYS  31 -12.923   1.985   6.503
  217   3HZ   LYS  31          1HNZ      LYS  31 -12.204   3.244   7.296
  218    H    ASP  32           HN       ASP  32  -8.384   2.007   3.854
  219    HA   ASP  32           HA       ASP  32 -10.553   2.839   2.085
  220   1HB   ASP  32          2HB       ASP  32  -8.529   4.350   3.798
  221   2HB   ASP  32          3HB       ASP  32  -9.812   5.114   2.873
  222    H    ILE  33           HN       ILE  33  -7.145   2.062   1.688
  223    HA   ILE  33           HA       ILE  33  -6.386   3.844  -0.223
  224    HB   ILE  33           HB       ILE  33  -5.896   0.926   0.037
  225   1HG1  ILE  33          2HG1      ILE  33  -4.487   3.435   0.939
  226   2HG1  ILE  33          3HG1      ILE  33  -5.152   2.227   1.961
  227   1HG2  ILE  33          1HG2      ILE  33  -5.317   1.723  -2.241
  228   2HG2  ILE  33          2HG2      ILE  33  -4.183   2.850  -1.448
  229   3HG2  ILE  33          3HG2      ILE  33  -4.001   1.079  -1.257
  230   1HD1  ILE  33          3HD1      ILE  33  -3.464   0.568   0.914
  231   2HD1  ILE  33          1HD1      ILE  33  -2.633   2.025   0.301
  232   3HD1  ILE  33          2HD1      ILE  33  -2.857   1.782   2.040
  233    HA   PRO  34           HA       PRO  34  -9.430   2.988  -3.511
  234   1HB   PRO  34          2HB       PRO  34  -7.246   3.713  -5.399
  235   2HB   PRO  34          3HB       PRO  34  -8.849   4.470  -5.211
  236   1HG   PRO  34          2HG       PRO  34  -6.564   5.719  -4.352
  237   2HG   PRO  34          3HG       PRO  34  -8.130   5.865  -3.502
  238   1HD   PRO  34          2HD       PRO  34  -5.781   4.097  -2.725
  239   2HD   PRO  34          3HD       PRO  34  -6.886   5.077  -1.738
  240    H    ASP  35           HN       ASP  35  -9.848   1.098  -4.773
  241    HA   ASP  35           HA       ASP  35  -7.886  -1.039  -4.630
  242   1HB   ASP  35          2HB       ASP  35 -10.765  -0.757  -5.117
  243   2HB   ASP  35          3HB       ASP  35 -10.001  -1.777  -6.320
  244    H    ASP  36           HN       ASP  36  -8.499   1.495  -6.871
  245    HA   ASP  36           HA       ASP  36  -7.172   0.250  -9.131
  246   1HB   ASP  36          2HB       ASP  36  -7.311   2.627  -9.979
  247   2HB   ASP  36          3HB       ASP  36  -8.873   1.916  -9.548
  248    H    TRP  37           HN       TRP  37  -6.064   1.467  -6.104
  249    HA   TRP  37           HA       TRP  37  -3.637   2.706  -7.118
  250   1HB   TRP  37          2HB       TRP  37  -4.563   3.307  -4.931
  251   2HB   TRP  37          3HB       TRP  37  -4.390   1.638  -4.404
  252    HD1  TRP  37           HD       TRP  37  -2.077   4.595  -5.254
  253    HE1  TRP  37           HNE      TRP  37   0.092   4.262  -3.920
  254    HE3  TRP  37           HE       TRP  37  -2.890  -0.091  -3.606
  255    HZ2  TRP  37           HZ1      TRP  37   1.310   2.204  -2.270
  256    HZ3  TRP  37           HZ2      TRP  37  -1.235  -1.266  -2.104
  257    HH2  TRP  37           HH       TRP  37   0.866  -0.108  -1.457
  258    H    VAL  38           HN       VAL  38  -1.537   1.836  -6.976
  259    HA   VAL  38           HA       VAL  38  -1.261  -1.110  -7.035
  260    HB   VAL  38           HB       VAL  38   0.415  -0.557  -8.920
  261   1HG1  VAL  38          3HG1      VAL  38  -1.643  -1.840  -9.289
  262   2HG1  VAL  38          1HG1      VAL  38  -2.581  -0.341  -9.446
  263   3HG1  VAL  38          2HG1      VAL  38  -1.342  -0.751 -10.652
  264   1HG2  VAL  38          3HG2      VAL  38   0.286   1.948  -8.652
  265   2HG2  VAL  38          1HG2      VAL  38  -0.012   1.374 -10.302
  266   3HG2  VAL  38          2HG2      VAL  38  -1.372   1.888  -9.295
  267    H    CYS  39           HN       CYN  39   0.820  -1.878  -6.605
  268    HA   CYS  39           HA       CYN  39   1.962  -0.476  -4.386
  269   1HB   CYS  39          2HB       CYN  39   1.700  -2.727  -4.198
  270   2HB   CYS  39          3HB       CYN  39   2.398  -3.105  -5.766
  271    HA   PRO  40           HA       PRO  40   4.979   1.971  -6.454
  272   1HB   PRO  40          2HB       PRO  40   7.020   2.094  -4.535
  273   2HB   PRO  40          3HB       PRO  40   5.537   3.076  -4.528
  274   1HG   PRO  40          2HG       PRO  40   6.063   0.505  -3.069
  275   2HG   PRO  40          3HG       PRO  40   5.300   1.994  -2.428
  276   1HD   PRO  40          2HD       PRO  40   3.815  -0.105  -3.174
  277   2HD   PRO  40          3HD       PRO  40   3.286   1.541  -3.634
  278    H    LEU  41           HN       LEU  41   6.336   1.443  -8.035
  279    HA   LEU  41           HA       LEU  41   7.743   0.287  -9.378
  280   1HB   LEU  41          2HB       LEU  41   9.286  -0.404  -6.852
  281   2HB   LEU  41          3HB       LEU  41   9.893  -0.346  -8.506
  282    HG   LEU  41           HG       LEU  41   9.030   2.003  -6.774
  283   1HD1  LEU  41          2HD1      LEU  41  11.276   1.024  -6.361
  284   2HD1  LEU  41          3HD1      LEU  41  11.691   1.257  -8.066
  285   3HD1  LEU  41          1HD1      LEU  41  11.385   2.662  -7.025
  286   1HD2  LEU  41          3HD2      LEU  41   9.859   1.985  -9.714
  287   2HD2  LEU  41          1HD2      LEU  41   8.298   2.529  -9.055
  288   3HD2  LEU  41          2HD2      LEU  41   9.769   3.437  -8.693
  289    H    CYS  42           HN       CYN  42   5.417  -1.141  -8.471
  290    HA   CYS  42           HA       CYN  42   6.383  -3.932  -8.863
  291   1HB   CYS  42          2HB       CYN  42   5.684  -3.216  -6.501
  292   2HB   CYS  42          3HB       CYN  42   4.049  -3.081  -7.177
  293    H    GLY  43           HN       GLY  43   4.054  -5.147  -9.324
  294   1HA   GLY  43          2HA       GLY  43   2.608  -3.617 -11.467
  295   2HA   GLY  43          3HA       GLY  43   3.444  -5.128 -11.854
  296    H    VAL  44           HN       VAL  44   1.522  -4.152  -8.955
  297    HA   VAL  44           HA       VAL  44  -0.743  -5.764  -9.731
  298    HB   VAL  44           HB       VAL  44   0.737  -7.524  -8.923
  299   1HG1  VAL  44          2HG1      VAL  44   2.205  -6.242  -7.449
  300   2HG1  VAL  44          3HG1      VAL  44   0.883  -5.996  -6.289
  301   3HG1  VAL  44          1HG1      VAL  44   1.517  -7.626  -6.595
  302   1HG2  VAL  44          2HG2      VAL  44  -1.715  -7.678  -8.442
  303   2HG2  VAL  44          3HG2      VAL  44  -0.682  -8.591  -7.330
  304   3HG2  VAL  44          1HG2      VAL  44  -1.390  -7.060  -6.805
  305    H    GLY  45           HN       GLY  45  -2.502  -5.530  -8.131
  306   1HA   GLY  45          2HA       GLY  45  -2.649  -2.774  -7.182
  307   2HA   GLY  45          3HA       GLY  45  -3.922  -3.990  -7.222
  308    H    LYS  46           HN       LYS  46  -3.907  -2.640  -4.997
  309    HA   LYS  46           HA       LYS  46  -2.389  -3.702  -2.806
  310   1HB   LYS  46          2HB       LYS  46  -4.237  -2.911  -1.416
  311   2HB   LYS  46          3HB       LYS  46  -3.726  -1.678  -2.545
  312   1HG   LYS  46          2HG       LYS  46  -5.661  -2.261  -4.060
  313   2HG   LYS  46          3HG       LYS  46  -6.194  -3.463  -2.876
  314   1HD   LYS  46          2HD       LYS  46  -6.028  -0.457  -2.535
  315   2HD   LYS  46          3HD       LYS  46  -7.457  -1.483  -2.620
  316   1HE   LYS  46          2HE       LYS  46  -6.359  -2.683  -0.495
  317   2HE   LYS  46          3HE       LYS  46  -5.531  -1.156  -0.353
  318   1HZ   LYS  46          3HNZ      LYS  46  -7.850  -0.118  -0.595
  319   2HZ   LYS  46          1HNZ      LYS  46  -8.469  -1.611  -0.386
  320   3HZ   LYS  46          2HNZ      LYS  46  -7.545  -0.904   0.817
  321    H    ASP  47           HN       ASP  47  -4.746  -5.219  -4.795
  322    HA   ASP  47           HA       ASP  47  -6.464  -6.655  -4.435
  323   1HB   ASP  47          2HB       ASP  47  -3.809  -8.095  -4.068
  324   2HB   ASP  47          3HB       ASP  47  -5.338  -8.868  -4.538
  325    H    GLN  48           HN       GLN  48  -4.459  -8.355  -2.154
  326    HA   GLN  48           HA       GLN  48  -5.746  -7.256   0.194
  327   1HB   GLN  48          2HB       GLN  48  -6.485  -9.993  -0.772
  328   2HB   GLN  48          3HB       GLN  48  -6.133  -9.850   0.945
  329   1HG   GLN  48          2HG       GLN  48  -7.995  -7.740  -0.049
  330   2HG   GLN  48          3HG       GLN  48  -8.581  -9.391  -0.188
  331   1HE2  GLN  48          2HNE      GLN  48  -8.073  -7.741   3.538
  332   2HE2  GLN  48          1HNE      GLN  48  -7.352  -6.954   2.145
  333    H    PHE  49           HN       PHE  49  -3.478  -6.593  -0.243
  334    HA   PHE  49           HA       PHE  49  -1.174  -8.034   0.437
  335   1HB   PHE  49          2HB       PHE  49  -2.169  -5.239   1.036
  336   2HB   PHE  49          3HB       PHE  49  -0.635  -5.644   1.581
  337    HD1  PHE  49           HD2      PHE  49  -1.635  -7.104  -1.708
  338    HD2  PHE  49           HD1      PHE  49   0.528  -3.969   0.353
  339    HE1  PHE  49           HE2      PHE  49  -0.339  -6.654  -3.731
  340    HE2  PHE  49           HE1      PHE  49   1.778  -3.498  -1.731
  341    HZ   PHE  49           HZ       PHE  49   1.421  -4.921  -3.732
  342    H    GLU  50           HN       GLU  50   0.028  -8.107   2.619
  343    HA   GLU  50           HA       GLU  50  -1.932  -9.331   4.532
  344   1HB   GLU  50          2HB       GLU  50   1.023  -9.791   3.983
  345   2HB   GLU  50          3HB       GLU  50   0.248 -10.306   5.479
  346   1HG   GLU  50          2HG       GLU  50  -1.399 -11.631   4.109
  347   2HG   GLU  50          3HG       GLU  50  -0.484 -11.187   2.654
  348    H    GLU  51           HN       GLU  51  -1.741  -8.749   6.841
  349    HA   GLU  51           HA       GLU  51  -1.022  -5.974   7.186
  350   1HB   GLU  51          2HB       GLU  51  -3.064  -6.878   8.114
  351   2HB   GLU  51          3HB       GLU  51  -2.180  -8.153   8.976
  352   1HG   GLU  51          2HG       GLU  51  -1.199  -6.730  10.428
  353   2HG   GLU  51          3HG       GLU  51  -1.530  -5.246   9.505
  354    H    VAL  52           HN       VAL  52   0.660  -5.210   8.510
  355    HA   VAL  52           HA       VAL  52   2.835  -7.098   9.215
  356    HB   VAL  52           HB       VAL  52   2.702  -4.248   8.152
  357   1HG1  VAL  52          3HG1      VAL  52   5.040  -5.521   9.635
  358   2HG1  VAL  52          1HG1      VAL  52   5.112  -4.022   8.669
  359   3HG1  VAL  52          2HG1      VAL  52   4.105  -4.086  10.123
  360   1HG2  VAL  52          1HG2      VAL  52   2.937  -6.188   6.632
  361   2HG2  VAL  52          2HG2      VAL  52   4.252  -4.990   6.579
  362   3HG2  VAL  52          3HG2      VAL  52   4.494  -6.556   7.399
  363    H    GLU  53           HN       GLU  53   2.557  -7.574  11.312
  364    HA   GLU  53           HA       GLU  53   1.189  -5.928  13.167
  365   1HB   GLU  53          2HB       GLU  53   1.754  -7.706  14.699
  366   2HB   GLU  53          3HB       GLU  53   0.992  -8.289  13.219
  367   1HG   GLU  53          2HG       GLU  53   3.291  -9.019  12.407
  368   2HG   GLU  53          3HG       GLU  53   3.942  -8.528  13.970
  369    H    GLU  54           HN       GLU  54   2.804  -4.211  12.487
  370    HA   GLU  54           HA       GLU  54   4.833  -3.789  14.655
  371   1HB   GLU  54          2HB       GLU  54   4.083  -2.009  12.307
  372   2HB   GLU  54          3HB       GLU  54   5.195  -1.600  13.619
  373   1HG   GLU  54          2HG       GLU  54   6.148  -4.083  12.580
  374   2HG   GLU  54          3HG       GLU  54   5.745  -3.094  11.173
   
  No H/Q in entry =         374
  Start of MODEL   14
    1   1H    MET   1          1HN       MET   1  -6.150  -0.722   9.379
    2   2H    MET   1          2HN       MET   1  -6.943   0.752   9.305
    3   3H    MET   1          3HN       MET   1  -5.886   0.317   8.177
    4    HA   MET   1           HA       MET   1  -5.273   0.851  11.027
    5   1HB   MET   1          2HB       MET   1  -3.506   2.438  10.068
    6   2HB   MET   1          3HB       MET   1  -4.245   2.164   8.491
    7   1HG   MET   1          2HG       MET   1  -6.335   2.984   9.405
    8   2HG   MET   1          3HG       MET   1  -5.628   3.285  10.981
    9   1HE   MET   1          2HE       MET   1  -2.962   4.716  10.680
   10   2HE   MET   1          3HE       MET   1  -3.444   6.416  10.494
   11   3HE   MET   1          1HE       MET   1  -4.301   5.380  11.651
   12    H    LYS   2           HN       LYS   2  -2.733   0.919  11.078
   13    HA   LYS   2           HA       LYS   2  -0.831  -0.223  11.281
   14   1HB   LYS   2          2HB       LYS   2  -2.294  -2.692  10.379
   15   2HB   LYS   2          3HB       LYS   2  -0.789  -2.596  11.298
   16   1HG   LYS   2          2HG       LYS   2  -1.984  -1.528  13.193
   17   2HG   LYS   2          3HG       LYS   2  -3.534  -1.680  12.306
   18   1HD   LYS   2          2HD       LYS   2  -3.109  -4.044  11.925
   19   2HD   LYS   2          3HD       LYS   2  -1.648  -3.983  12.911
   20   1HE   LYS   2          2HE       LYS   2  -4.557  -3.513  13.804
   21   2HE   LYS   2          3HE       LYS   2  -3.622  -4.990  14.074
   22   1HZ   LYS   2          2HNZ      LYS   2  -2.104  -3.739  15.431
   23   2HZ   LYS   2          3HNZ      LYS   2  -2.946  -2.347  15.187
   24   3HZ   LYS   2          1HNZ      LYS   2  -3.637  -3.592  16.014
   25    H    LYS   3           HN       LYS   3   0.858  -1.508  10.132
   26    HA   LYS   3           HA       LYS   3   1.049  -0.525   7.370
   27   1HB   LYS   3          2HB       LYS   3   2.987  -2.019   9.174
   28   2HB   LYS   3          3HB       LYS   3   3.339  -1.380   7.563
   29   1HG   LYS   3          2HG       LYS   3   2.741   0.904   8.369
   30   2HG   LYS   3          3HG       LYS   3   2.344   0.261   9.920
   31   1HD   LYS   3          2HD       LYS   3   4.466   1.244  10.151
   32   2HD   LYS   3          3HD       LYS   3   4.650  -0.512  10.286
   33   1HE   LYS   3          2HE       LYS   3   5.454  -0.577   7.913
   34   2HE   LYS   3          3HE       LYS   3   5.244   1.176   7.817
   35   1HZ   LYS   3          3HNZ      LYS   3   6.854   1.408   9.571
   36   2HZ   LYS   3          1HNZ      LYS   3   7.099  -0.222   9.605
   37   3HZ   LYS   3          2HNZ      LYS   3   7.498   0.647   8.260
   38    H    TYR   4           HN       TYR   4   1.856  -2.012   5.700
   39    HA   TYR   4           HA       TYR   4   1.038  -4.817   6.041
   40   1HB   TYR   4          2HB       TYR   4  -0.237  -2.999   3.940
   41   2HB   TYR   4          3HB       TYR   4  -0.119  -4.716   3.753
   42    HD1  TYR   4           HD1      TYR   4  -1.501  -2.279   6.294
   43    HD2  TYR   4           HD2      TYR   4  -1.941  -5.985   4.187
   44    HE1  TYR   4           HE1      TYR   4  -3.377  -2.924   7.778
   45    HE2  TYR   4           HE2      TYR   4  -3.956  -6.522   5.510
   46    HH   TYR   4           HOH      TYR   4  -5.157  -5.926   7.488
   47    H    THR   5           HN       THR   5   2.061  -6.242   4.626
   48    HA   THR   5           HA       THR   5   4.231  -5.041   2.933
   49    HB   THR   5           HB       THR   5   4.980  -6.555   4.685
   50    HG1  THR   5           HG1      THR   5   6.271  -7.785   3.236
   51   1HG2  THR   5          3HG2      THR   5   3.522  -8.730   3.140
   52   2HG2  THR   5          1HG2      THR   5   4.659  -8.974   4.477
   53   3HG2  THR   5          2HG2      THR   5   3.131  -8.138   4.780
   54    H    CYS   6           HN       CYN   6   4.572  -5.502   0.824
   55    HA   CYS   6           HA       CYN   6   2.282  -6.321  -0.791
   56   1HB   CYS   6          2HB       CYN   6   3.593  -4.339  -1.389
   57   2HB   CYS   6          3HB       CYN   6   5.035  -5.335  -1.560
   58    H    THR   7           HN       THR   7   1.964  -8.296  -1.419
   59    HA   THR   7           HA       THR   7   3.156 -10.544  -0.683
   60    HB   THR   7           HB       THR   7   1.683 -10.008  -3.305
   61    HG1  THR   7           HG1      THR   7   0.738 -10.426  -0.670
   62   1HG2  THR   7          3HG2      THR   7   1.843 -12.510  -1.562
   63   2HG2  THR   7          1HG2      THR   7   0.680 -12.251  -2.881
   64   3HG2  THR   7          2HG2      THR   7   2.413 -12.335  -3.239
   65    H    VAL   8           HN       VAL   8   3.608  -9.570  -4.161
   66    HA   VAL   8           HA       VAL   8   5.918 -11.458  -4.184
   67    HB   VAL   8           HB       VAL   8   3.994 -12.016  -5.528
   68   1HG1  VAL   8          3HG1      VAL   8   3.128  -9.789  -6.155
   69   2HG1  VAL   8          1HG1      VAL   8   4.523  -9.541  -7.222
   70   3HG1  VAL   8          2HG1      VAL   8   3.371 -10.841  -7.551
   71   1HG2  VAL   8          1HG2      VAL   8   6.265 -12.746  -6.180
   72   2HG2  VAL   8          2HG2      VAL   8   5.137 -12.622  -7.538
   73   3HG2  VAL   8          3HG2      VAL   8   6.371 -11.379  -7.307
   74    H    CYS   9           HN       CYN   9   6.578  -9.206  -2.965
   75    HA   CYS   9           HA       CYN   9   8.186  -7.566  -4.859
   76   1HB   CYS   9          2HB       CYN   9   5.778  -6.894  -4.973
   77   2HB   CYS   9          3HB       CYN   9   5.865  -6.630  -3.227
   78    H    GLY  10           HN       GLY  10   6.729  -7.458  -1.518
   79   1HA   GLY  10          2HA       GLY  10   7.928  -7.703   0.466
   80   2HA   GLY  10          3HA       GLY  10   9.460  -7.367  -0.341
   81    H    TYR  11           HN       TYR  11   7.674  -4.933  -1.630
   82    HA   TYR  11           HA       TYR  11   8.617  -2.942   0.208
   83   1HB   TYR  11          2HB       TYR  11   6.781  -2.960  -2.178
   84   2HB   TYR  11          3HB       TYR  11   6.595  -1.636  -1.048
   85    HD1  TYR  11           HD1      TYR  11   8.803  -0.448  -0.224
   86    HD2  TYR  11           HD2      TYR  11   8.271  -2.495  -3.981
   87    HE1  TYR  11           HE1      TYR  11  10.501   1.021  -1.275
   88    HE2  TYR  11           HE2      TYR  11   9.959  -1.046  -5.014
   89    HH   TYR  11           HOH      TYR  11  11.280   0.814  -4.750
   90    H    ILE  12           HN       ILE  12   7.554  -1.774   1.823
   91    HA   ILE  12           HA       ILE  12   5.056  -3.010   2.871
   92    HB   ILE  12           HB       ILE  12   7.561  -2.096   4.252
   93   1HG1  ILE  12          2HG1      ILE  12   5.617  -4.377   4.759
   94   2HG1  ILE  12          3HG1      ILE  12   6.920  -4.508   3.576
   95   1HG2  ILE  12          3HG2      ILE  12   4.772  -2.152   5.505
   96   2HG2  ILE  12          1HG2      ILE  12   6.290  -2.119   6.419
   97   3HG2  ILE  12          2HG2      ILE  12   5.859  -0.750   5.405
   98   1HD1  ILE  12          2HD1      ILE  12   7.326  -4.072   6.564
   99   2HD1  ILE  12          3HD1      ILE  12   7.554  -5.572   5.659
  100   3HD1  ILE  12          1HD1      ILE  12   8.604  -4.181   5.327
  101    H    TYR  13           HN       TYR  13   3.354  -1.825   2.870
  102    HA   TYR  13           HA       TYR  13   3.451   1.065   2.232
  103   1HB   TYR  13          2HB       TYR  13   1.783  -0.259   1.072
  104   2HB   TYR  13          3HB       TYR  13   1.254  -0.982   2.592
  105    HD1  TYR  13           HD2      TYR  13   1.116   2.069   0.508
  106    HD2  TYR  13           HD1      TYR  13  -0.258   0.129   4.020
  107    HE1  TYR  13           HE2      TYR  13  -0.179   4.118   1.097
  108    HE2  TYR  13           HE1      TYR  13  -1.704   2.121   4.585
  109    HH   TYR  13           HOH      TYR  13  -2.482   4.334   3.806
  110    H    ASN  14           HN       ASN  14   2.913   2.614   3.749
  111    HA   ASN  14           HA       ASN  14   2.316   1.752   6.534
  112   1HB   ASN  14          2HB       ASN  14   4.708   2.518   6.223
  113   2HB   ASN  14          3HB       ASN  14   4.106   4.050   5.652
  114   1HD2  ASN  14          2HND      ASN  14   4.808   4.415   9.309
  115   2HD2  ASN  14          1HND      ASN  14   5.573   4.579   7.746
  116    HA   PRO  15           HA       PRO  15  -0.979   4.501   5.495
  117   1HB   PRO  15          2HB       PRO  15  -2.469   4.350   7.840
  118   2HB   PRO  15          3HB       PRO  15  -2.539   3.137   6.545
  119   1HG   PRO  15          2HG       PRO  15  -1.004   3.032   9.135
  120   2HG   PRO  15          3HG       PRO  15  -1.829   1.717   8.256
  121   1HD   PRO  15          2HD       PRO  15   0.858   2.150   8.246
  122   2HD   PRO  15          3HD       PRO  15   0.051   1.305   6.913
  123    H    GLU  16           HN       GLU  16   0.817   4.794   8.602
  124    HA   GLU  16           HA       GLU  16  -0.199   7.410   9.133
  125   1HB   GLU  16          2HB       GLU  16   2.380   6.035   9.968
  126   2HB   GLU  16          3HB       GLU  16   1.781   7.574  10.562
  127   1HG   GLU  16          2HG       GLU  16  -0.464   6.011  10.934
  128   2HG   GLU  16          3HG       GLU  16   0.806   4.797  11.146
  129    H    ASP  17           HN       ASP  17   2.239   6.181   6.985
  130    HA   ASP  17           HA       ASP  17   3.346   8.894   6.381
  131   1HB   ASP  17          2HB       ASP  17   4.034   6.129   5.386
  132   2HB   ASP  17          3HB       ASP  17   4.829   7.605   4.859
  133    H    GLY  18           HN       GLY  18   1.212   6.352   5.133
  134   1HA   GLY  18          2HA       GLY  18  -0.051   6.141   3.328
  135   2HA   GLY  18          3HA       GLY  18   0.130   7.855   2.949
  136    H    ASP  19           HN       ASP  19   0.405   7.223   0.738
  137    HA   ASP  19           HA       ASP  19   3.194   6.820   0.013
  138   1HB   ASP  19          2HB       ASP  19   1.189   4.725  -0.509
  139   2HB   ASP  19          3HB       ASP  19   1.876   5.307  -1.998
  140    HA   PRO  20           HA       PRO  20   0.414  10.154  -1.698
  141   1HB   PRO  20          2HB       PRO  20   2.124  12.306  -1.296
  142   2HB   PRO  20          3HB       PRO  20   0.886  11.729  -0.137
  143   1HG   PRO  20          2HG       PRO  20   3.846  11.121  -0.176
  144   2HG   PRO  20          3HG       PRO  20   2.821  11.520   1.234
  145   1HD   PRO  20          2HD       PRO  20   3.512   8.968   0.662
  146   2HD   PRO  20          3HD       PRO  20   1.873   9.350   1.258
  147    H    ASP  21           HN       ASP  21   3.922   9.533  -2.221
  148    HA   ASP  21           HA       ASP  21   4.320  10.861  -4.605
  149   1HB   ASP  21          2HB       ASP  21   5.397   8.201  -3.536
  150   2HB   ASP  21          3HB       ASP  21   6.119   9.136  -4.848
  151    H    ASN  22           HN       ASN  22   2.621   7.897  -3.887
  152    HA   ASN  22           HA       ASN  22   2.359   7.089  -6.731
  153   1HB   ASN  22          2HB       ASN  22   1.433   5.711  -4.199
  154   2HB   ASN  22          3HB       ASN  22   1.482   5.014  -5.813
  155   1HD2  ASN  22          2HND      ASN  22   4.776   5.131  -3.361
  156   2HD2  ASN  22          1HND      ASN  22   3.430   6.171  -3.072
  157    H    GLY  23           HN       GLY  23   0.617   8.328  -4.021
  158   1HA   GLY  23          2HA       GLY  23  -1.101   9.927  -4.900
  159   2HA   GLY  23          3HA       GLY  23  -1.899   8.539  -5.649
  160    H    VAL  24           HN       VAL  24  -0.536   7.900  -2.485
  161    HA   VAL  24           HA       VAL  24  -3.298   7.878  -1.311
  162    HB   VAL  24           HB       VAL  24  -0.859   6.128  -0.994
  163   1HG1  VAL  24          3HG1      VAL  24  -3.373   6.257   0.685
  164   2HG1  VAL  24          1HG1      VAL  24  -2.324   4.830   0.605
  165   3HG1  VAL  24          2HG1      VAL  24  -1.682   6.353   1.248
  166   1HG2  VAL  24          2HG2      VAL  24  -2.532   5.741  -2.888
  167   2HG2  VAL  24          3HG2      VAL  24  -2.405   4.383  -1.743
  168   3HG2  VAL  24          1HG2      VAL  24  -3.784   5.499  -1.667
  169    H    ASN  25           HN       ASN  25  -3.586   9.500   0.056
  170    HA   ASN  25           HA       ASN  25  -1.441  11.111   1.057
  171   1HB   ASN  25          2HB       ASN  25  -4.434  10.935   1.565
  172   2HB   ASN  25          3HB       ASN  25  -3.434  11.929   2.611
  173   1HD2  ASN  25          2HND      ASN  25  -3.727  13.059  -1.349
  174   2HD2  ASN  25          1HND      ASN  25  -3.915  11.368  -0.952
  175    HA   PRO  26           HA       PRO  26  -0.433   9.021   4.860
  176   1HB   PRO  26          2HB       PRO  26  -0.184  11.146   6.654
  177   2HB   PRO  26          3HB       PRO  26   1.070  10.549   5.552
  178   1HG   PRO  26          2HG       PRO  26  -0.756  12.911   5.209
  179   2HG   PRO  26          3HG       PRO  26   0.959  12.722   4.711
  180   1HD   PRO  26          2HD       PRO  26  -1.153  12.539   2.965
  181   2HD   PRO  26          3HD       PRO  26   0.372  11.635   2.739
  182    H    GLY  27           HN       GLY  27  -1.397   8.264   6.641
  183   1HA   GLY  27          2HA       GLY  27  -3.022   7.779   8.160
  184   2HA   GLY  27          3HA       GLY  27  -3.824   9.328   7.835
  185    H    THR  28           HN       THR  28  -3.157   7.197   4.983
  186    HA   THR  28           HA       THR  28  -6.071   6.818   4.818
  187    HB   THR  28           HB       THR  28  -3.787   6.200   2.909
  188    HG1  THR  28           HG1      THR  28  -4.115   8.390   3.000
  189   1HG2  THR  28          1HG2      THR  28  -6.822   6.062   2.639
  190   2HG2  THR  28          2HG2      THR  28  -5.686   5.962   1.268
  191   3HG2  THR  28          3HG2      THR  28  -5.657   4.721   2.537
  192    H    ASP  29           HN       ASP  29  -6.861   5.093   5.722
  193    HA   ASP  29           HA       ASP  29  -5.427   2.831   6.664
  194   1HB   ASP  29          2HB       ASP  29  -7.808   3.626   7.223
  195   2HB   ASP  29          3HB       ASP  29  -8.312   2.882   5.724
  196    H    PHE  30           HN       PHE  30  -4.820   1.016   5.672
  197    HA   PHE  30           HA       PHE  30  -4.478   0.577   2.963
  198   1HB   PHE  30          2HB       PHE  30  -3.836  -0.804   5.133
  199   2HB   PHE  30          3HB       PHE  30  -5.309  -1.710   4.810
  200    HD1  PHE  30           HD2      PHE  30  -5.477  -2.914   2.458
  201    HD2  PHE  30           HD1      PHE  30  -1.915  -1.046   3.945
  202    HE1  PHE  30           HE2      PHE  30  -4.161  -3.890   0.590
  203    HE2  PHE  30           HE1      PHE  30  -0.679  -1.761   1.907
  204    HZ   PHE  30           HZ       PHE  30  -1.702  -3.351   0.444
  205    H    LYS  31           HN       LYS  31  -7.471   0.084   4.942
  206    HA   LYS  31           HA       LYS  31  -8.677  -1.536   2.834
  207   1HB   LYS  31          2HB       LYS  31 -10.637  -1.532   4.134
  208   2HB   LYS  31          3HB       LYS  31  -9.243  -1.709   5.223
  209   1HG   LYS  31          2HG       LYS  31  -9.346   0.877   5.446
  210   2HG   LYS  31          3HG       LYS  31 -10.878   0.755   4.618
  211   1HD   LYS  31          2HD       LYS  31 -11.634  -0.821   6.454
  212   2HD   LYS  31          3HD       LYS  31 -10.045  -0.612   7.207
  213   1HE   LYS  31          2HE       LYS  31 -11.744   0.857   8.305
  214   2HE   LYS  31          3HE       LYS  31 -10.429   1.786   7.575
  215   1HZ   LYS  31          2HNZ      LYS  31 -13.041   1.421   6.285
  216   2HZ   LYS  31          3HNZ      LYS  31 -12.528   2.774   7.085
  217   3HZ   LYS  31          1HNZ      LYS  31 -11.792   2.318   5.721
  218    H    ASP  32           HN       ASP  32  -8.487   1.873   3.656
  219    HA   ASP  32           HA       ASP  32 -10.660   2.740   1.912
  220   1HB   ASP  32          2HB       ASP  32  -8.627   4.221   3.644
  221   2HB   ASP  32          3HB       ASP  32  -9.905   5.000   2.729
  222    H    ILE  33           HN       ILE  33  -7.211   2.041   1.563
  223    HA   ILE  33           HA       ILE  33  -6.455   3.838  -0.327
  224    HB   ILE  33           HB       ILE  33  -5.914   0.918  -0.095
  225   1HG1  ILE  33          2HG1      ILE  33  -4.568   3.443   0.878
  226   2HG1  ILE  33          3HG1      ILE  33  -5.203   2.204   1.878
  227   1HG2  ILE  33          3HG2      ILE  33  -5.314   1.720  -2.331
  228   2HG2  ILE  33          1HG2      ILE  33  -4.226   2.891  -1.529
  229   3HG2  ILE  33          2HG2      ILE  33  -3.991   1.127  -1.333
  230   1HD1  ILE  33          1HD1      ILE  33  -3.460   0.613   0.844
  231   2HD1  ILE  33          2HD1      ILE  33  -2.673   2.102   0.236
  232   3HD1  ILE  33          3HD1      ILE  33  -2.914   1.858   1.971
  233    HA   PRO  34           HA       PRO  34  -9.381   2.898  -3.703
  234   1HB   PRO  34          2HB       PRO  34  -7.260   3.729  -5.592
  235   2HB   PRO  34          3HB       PRO  34  -8.851   4.477  -5.310
  236   1HG   PRO  34          2HG       PRO  34  -6.448   5.621  -4.519
  237   2HG   PRO  34          3HG       PRO  34  -8.013   5.902  -3.703
  238   1HD   PRO  34          2HD       PRO  34  -5.763   4.093  -2.815
  239   2HD   PRO  34          3HD       PRO  34  -6.905   5.072  -1.871
  240    H    ASP  35           HN       ASP  35  -9.689   0.961  -4.997
  241    HA   ASP  35           HA       ASP  35  -7.684  -1.083  -4.971
  242   1HB   ASP  35          2HB       ASP  35 -10.461  -0.624  -6.124
  243   2HB   ASP  35          3HB       ASP  35  -9.478  -1.960  -6.644
  244    H    ASP  36           HN       ASP  36  -8.243   1.665  -7.051
  245    HA   ASP  36           HA       ASP  36  -6.772   0.567  -9.320
  246   1HB   ASP  36          2HB       ASP  36  -7.091   2.921 -10.135
  247   2HB   ASP  36          3HB       ASP  36  -8.598   2.073  -9.763
  248    H    TRP  37           HN       TRP  37  -5.836   1.660  -6.228
  249    HA   TRP  37           HA       TRP  37  -3.459   3.141  -7.046
  250   1HB   TRP  37          2HB       TRP  37  -4.435   3.464  -4.845
  251   2HB   TRP  37          3HB       TRP  37  -4.266   1.745  -4.496
  252    HD1  TRP  37           HD       TRP  37  -1.923   4.754  -4.993
  253    HE1  TRP  37           HNE      TRP  37   0.159   4.354  -3.532
  254    HE3  TRP  37           HE       TRP  37  -2.853  -0.006  -3.591
  255    HZ2  TRP  37           HZ1      TRP  37   1.288   2.204  -1.955
  256    HZ3  TRP  37           HZ2      TRP  37  -1.270  -1.259  -2.092
  257    HH2  TRP  37           HH       TRP  37   0.795  -0.145  -1.278
  258    H    VAL  38           HN       VAL  38  -1.300   2.300  -6.661
  259    HA   VAL  38           HA       VAL  38  -0.891  -0.608  -6.766
  260    HB   VAL  38           HB       VAL  38   0.951   0.083  -8.540
  261   1HG1  VAL  38          2HG1      VAL  38  -0.774  -1.630  -8.898
  262   2HG1  VAL  38          3HG1      VAL  38  -1.964  -0.377  -9.308
  263   3HG1  VAL  38          1HG1      VAL  38  -0.555  -0.653 -10.357
  264   1HG2  VAL  38          1HG2      VAL  38   0.328   2.509  -8.581
  265   2HG2  VAL  38          2HG2      VAL  38   0.271   1.723 -10.170
  266   3HG2  VAL  38          3HG2      VAL  38  -1.235   2.059  -9.306
  267    H    CYS  39           HN       CYN  39   1.295  -1.191  -6.062
  268    HA   CYS  39           HA       CYN  39   2.283   0.745  -4.101
  269   1HB   CYS  39          2HB       CYN  39   3.143  -1.076  -2.959
  270   2HB   CYS  39          3HB       CYN  39   1.671  -1.703  -3.657
  271    HA   PRO  40           HA       PRO  40   5.510   2.146  -6.427
  272   1HB   PRO  40          2HB       PRO  40   7.786   2.285  -4.907
  273   2HB   PRO  40          3HB       PRO  40   6.309   3.231  -4.585
  274   1HG   PRO  40          2HG       PRO  40   7.158   0.641  -3.289
  275   2HG   PRO  40          3HG       PRO  40   6.565   2.125  -2.486
  276   1HD   PRO  40          2HD       PRO  40   4.993  -0.019  -3.026
  277   2HD   PRO  40          3HD       PRO  40   4.328   1.646  -3.097
  278    H    LEU  41           HN       LEU  41   6.359   1.273  -8.194
  279    HA   LEU  41           HA       LEU  41   7.666   0.125  -9.626
  280   1HB   LEU  41          2HB       LEU  41   9.371  -0.863  -7.329
  281   2HB   LEU  41          3HB       LEU  41   9.826  -0.594  -9.008
  282    HG   LEU  41           HG       LEU  41   9.239   1.506  -6.881
  283   1HD1  LEU  41          1HD1      LEU  41  11.436   0.329  -6.785
  284   2HD1  LEU  41          2HD1      LEU  41  11.769   0.851  -8.446
  285   3HD1  LEU  41          3HD1      LEU  41  11.600   2.058  -7.154
  286   1HD2  LEU  41          1HD2      LEU  41   9.925   1.885  -9.842
  287   2HD2  LEU  41          2HD2      LEU  41   8.411   2.374  -9.052
  288   3HD2  LEU  41          3HD2      LEU  41   9.927   3.176  -8.621
  289    H    CYS  42           HN       CYN  42   5.329  -1.175  -8.944
  290    HA   CYS  42           HA       CYN  42   6.109  -4.038  -9.125
  291   1HB   CYS  42          2HB       CYN  42   5.484  -3.211  -6.787
  292   2HB   CYS  42          3HB       CYN  42   3.842  -2.996  -7.436
  293    H    GLY  43           HN       GLY  43   3.828  -5.197  -9.526
  294   1HA   GLY  43          2HA       GLY  43   2.613  -3.883 -11.940
  295   2HA   GLY  43          3HA       GLY  43   2.702  -5.620 -11.635
  296    H    VAL  44           HN       VAL  44   1.320  -6.556  -9.990
  297    HA   VAL  44           HA       VAL  44  -1.204  -5.079  -9.692
  298    HB   VAL  44           HB       VAL  44  -1.180  -7.394 -10.504
  299   1HG1  VAL  44          3HG1      VAL  44   0.603  -8.313  -8.915
  300   2HG1  VAL  44          1HG1      VAL  44  -0.662  -8.331  -7.663
  301   3HG1  VAL  44          2HG1      VAL  44  -0.862  -9.288  -9.127
  302   1HG2  VAL  44          1HG2      VAL  44  -2.704  -6.831  -7.935
  303   2HG2  VAL  44          2HG2      VAL  44  -3.192  -6.394  -9.584
  304   3HG2  VAL  44          3HG2      VAL  44  -3.110  -8.100  -9.110
  305    H    GLY  45           HN       GLY  45  -1.118  -3.582  -8.123
  306   1HA   GLY  45          2HA       GLY  45   0.070  -4.280  -5.468
  307   2HA   GLY  45          3HA       GLY  45  -0.073  -2.650  -6.125
  308    H    LYS  46           HN       LYS  46  -1.241  -3.933  -3.678
  309    HA   LYS  46           HA       LYS  46  -3.079  -4.114  -2.465
  310   1HB   LYS  46          2HB       LYS  46  -3.676  -1.973  -2.516
  311   2HB   LYS  46          3HB       LYS  46  -3.870  -1.895  -4.277
  312   1HG   LYS  46          2HG       LYS  46  -5.998  -2.703  -4.277
  313   2HG   LYS  46          3HG       LYS  46  -5.883  -3.508  -2.708
  314   1HD   LYS  46          2HD       LYS  46  -5.761  -0.496  -2.952
  315   2HD   LYS  46          3HD       LYS  46  -7.273  -1.399  -2.921
  316   1HE   LYS  46          2HE       LYS  46  -6.055  -2.570  -0.772
  317   2HE   LYS  46          3HE       LYS  46  -5.349  -0.989  -0.703
  318   1HZ   LYS  46          3HNZ      LYS  46  -7.740  -0.143  -0.912
  319   2HZ   LYS  46          1HNZ      LYS  46  -8.246  -1.677  -0.726
  320   3HZ   LYS  46          2HNZ      LYS  46  -7.389  -0.920   0.494
  321    H    ASP  47           HN       ASP  47  -3.563  -6.162  -2.527
  322    HA   ASP  47           HA       ASP  47  -6.137  -6.758  -3.820
  323   1HB   ASP  47          2HB       ASP  47  -3.632  -8.430  -4.218
  324   2HB   ASP  47          3HB       ASP  47  -5.149  -9.274  -3.866
  325    H    GLN  48           HN       GLN  48  -3.785  -8.655  -2.024
  326    HA   GLN  48           HA       GLN  48  -5.322  -8.429   0.505
  327   1HB   GLN  48          2HB       GLN  48  -6.173 -10.271  -1.008
  328   2HB   GLN  48          3HB       GLN  48  -4.626 -11.089  -0.838
  329   1HG   GLN  48          2HG       GLN  48  -6.134 -10.258   1.663
  330   2HG   GLN  48          3HG       GLN  48  -6.826 -11.546   0.680
  331   1HE2  GLN  48          2HNE      GLN  48  -4.310 -12.808   3.325
  332   2HE2  GLN  48          1HNE      GLN  48  -5.380 -11.424   3.460
  333    H    PHE  49           HN       PHE  49  -3.203  -7.063   0.268
  334    HA   PHE  49           HA       PHE  49  -0.618  -8.178   0.720
  335   1HB   PHE  49          2HB       PHE  49  -1.979  -5.530   1.403
  336   2HB   PHE  49          3HB       PHE  49  -0.371  -5.787   1.878
  337    HD1  PHE  49           HD1      PHE  49  -1.299  -7.210  -1.439
  338    HD2  PHE  49           HD2      PHE  49   0.675  -4.057   0.766
  339    HE1  PHE  49           HE1      PHE  49  -0.267  -6.371  -3.508
  340    HE2  PHE  49           HE2      PHE  49   1.517  -3.120  -1.356
  341    HZ   PHE  49           HZ       PHE  49   1.120  -4.307  -3.464
  342    H    GLU  50           HN       GLU  50   0.561  -8.364   2.815
  343    HA   GLU  50           HA       GLU  50  -1.240  -9.579   4.871
  344   1HB   GLU  50          2HB       GLU  50   1.726  -9.771   4.257
  345   2HB   GLU  50          3HB       GLU  50   1.099 -10.182   5.858
  346   1HG   GLU  50          2HG       GLU  50  -0.424 -11.834   4.807
  347   2HG   GLU  50          3HG       GLU  50   0.287 -11.468   3.223
  348    H    GLU  51           HN       GLU  51  -1.014  -8.867   7.146
  349    HA   GLU  51           HA       GLU  51  -0.621  -5.991   7.347
  350   1HB   GLU  51          2HB       GLU  51  -2.572  -6.997   8.336
  351   2HB   GLU  51          3HB       GLU  51  -1.604  -8.217   9.182
  352   1HG   GLU  51          2HG       GLU  51  -0.594  -6.597  10.554
  353   2HG   GLU  51          3HG       GLU  51  -1.404  -5.235   9.762
  354    H    VAL  52           HN       VAL  52   0.971  -5.016   8.652
  355    HA   VAL  52           HA       VAL  52   3.276  -6.654   9.557
  356    HB   VAL  52           HB       VAL  52   2.961  -3.925   8.271
  357   1HG1  VAL  52          2HG1      VAL  52   5.320  -4.927   9.923
  358   2HG1  VAL  52          3HG1      VAL  52   5.344  -3.494   8.863
  359   3HG1  VAL  52          1HG1      VAL  52   4.304  -3.517  10.291
  360   1HG2  VAL  52          2HG2      VAL  52   3.391  -5.836   6.825
  361   2HG2  VAL  52          3HG2      VAL  52   4.694  -4.630   6.851
  362   3HG2  VAL  52          1HG2      VAL  52   4.892  -6.173   7.724
  363    H    GLU  53           HN       GLU  53   2.933  -6.978  11.667
  364    HA   GLU  53           HA       GLU  53   1.435  -5.355  13.410
  365   1HB   GLU  53          2HB       GLU  53   2.273  -6.924  15.079
  366   2HB   GLU  53          3HB       GLU  53   1.589  -7.718  13.660
  367   1HG   GLU  53          2HG       GLU  53   3.998  -8.096  12.842
  368   2HG   GLU  53          3HG       GLU  53   4.546  -7.440  14.369
  369    H    GLU  54           HN       GLU  54   2.643  -3.415  12.734
  370    HA   GLU  54           HA       GLU  54   5.041  -2.625  14.200
  371   1HB   GLU  54          2HB       GLU  54   4.231  -0.317  13.925
  372   2HB   GLU  54          3HB       GLU  54   4.385  -1.203  12.406
  373   1HG   GLU  54          2HG       GLU  54   1.959  -1.489  12.254
  374   2HG   GLU  54          3HG       GLU  54   1.748  -0.821  13.883
   
  No H/Q in entry =         374
  Start of MODEL   15
    1   1H    MET   1          1HN       MET   1  -0.982   3.446  12.539
    2   2H    MET   1          2HN       MET   1  -1.311   3.862  11.048
    3   3H    MET   1          3HN       MET   1  -2.352   4.306  12.246
    4    HA   MET   1           HA       MET   1  -3.038   2.011  12.534
    5   1HB   MET   1          2HB       MET   1  -3.860   3.603  10.475
    6   2HB   MET   1          3HB       MET   1  -3.067   2.385   9.543
    7   1HG   MET   1          2HG       MET   1  -4.915   1.299  11.505
    8   2HG   MET   1          3HG       MET   1  -5.639   2.225  10.188
    9   1HE   MET   1          2HE       MET   1  -6.993  -0.022   9.834
   10   2HE   MET   1          3HE       MET   1  -6.271  -1.519   9.198
   11   3HE   MET   1          1HE       MET   1  -6.008  -1.049  10.896
   12    H    LYS   2           HN       LYS   2  -2.958  -0.236  11.321
   13    HA   LYS   2           HA       LYS   2  -0.238  -1.101  11.531
   14   1HB   LYS   2          2HB       LYS   2  -2.758  -2.456  10.489
   15   2HB   LYS   2          3HB       LYS   2  -1.169  -3.210  10.557
   16   1HG   LYS   2          2HG       LYS   2  -1.635  -2.039  13.160
   17   2HG   LYS   2          3HG       LYS   2  -3.121  -2.858  12.652
   18   1HD   LYS   2          2HD       LYS   2  -1.442  -4.807  11.930
   19   2HD   LYS   2          3HD       LYS   2  -0.281  -3.979  12.959
   20   1HE   LYS   2          2HE       LYS   2  -3.061  -4.918  13.815
   21   2HE   LYS   2          3HE       LYS   2  -1.634  -5.951  13.876
   22   1HZ   LYS   2          3HNZ      LYS   2  -0.558  -4.312  15.317
   23   2HZ   LYS   2          1HNZ      LYS   2  -1.922  -3.425  15.368
   24   3HZ   LYS   2          2HNZ      LYS   2  -1.905  -4.945  16.012
   25    H    LYS   3           HN       LYS   3   1.189  -1.665  10.031
   26    HA   LYS   3           HA       LYS   3   1.060  -0.534   7.345
   27   1HB   LYS   3          2HB       LYS   3   3.075  -2.175   8.873
   28   2HB   LYS   3          3HB       LYS   3   3.384  -1.408   7.298
   29   1HG   LYS   3          2HG       LYS   3   2.931   0.803   8.318
   30   2HG   LYS   3          3HG       LYS   3   2.607   0.054   9.866
   31   1HD   LYS   3          2HD       LYS   3   4.904  -0.989   9.789
   32   2HD   LYS   3          3HD       LYS   3   5.292   0.072   8.422
   33   1HE   LYS   3          2HE       LYS   3   4.988   2.072   9.822
   34   2HE   LYS   3          3HE       LYS   3   4.215   1.115  11.089
   35   1HZ   LYS   3          2HNZ      LYS   3   6.531  -0.097  10.994
   36   2HZ   LYS   3          3HNZ      LYS   3   7.020   1.492  10.724
   37   3HZ   LYS   3          1HNZ      LYS   3   6.088   0.981  12.034
   38    H    TYR   4           HN       TYR   4   1.931  -2.080   5.603
   39    HA   TYR   4           HA       TYR   4   0.857  -4.790   5.881
   40   1HB   TYR   4          2HB       TYR   4  -0.223  -2.964   3.662
   41   2HB   TYR   4          3HB       TYR   4  -0.308  -4.697   3.677
   42    HD1  TYR   4           HD2      TYR   4  -1.361  -1.837   5.943
   43    HD2  TYR   4           HD1      TYR   4  -2.182  -5.789   4.413
   44    HE1  TYR   4           HE2      TYR   4  -3.396  -1.960   7.318
   45    HE2  TYR   4           HE1      TYR   4  -4.219  -5.890   5.773
   46    HH   TYR   4           HOH      TYR   4  -5.327  -4.907   7.599
   47    H    THR   5           HN       THR   5   2.118  -6.322   4.803
   48    HA   THR   5           HA       THR   5   4.427  -5.377   3.219
   49    HB   THR   5           HB       THR   5   3.621  -8.262   3.738
   50    HG1  THR   5           HG1      THR   5   5.132  -6.516   5.373
   51   1HG2  THR   5          3HG2      THR   5   6.332  -6.902   3.292
   52   2HG2  THR   5          1HG2      THR   5   6.082  -8.617   3.678
   53   3HG2  THR   5          2HG2      THR   5   5.504  -7.966   2.144
   54    H    CYS   6           HN       CYN   6   4.743  -5.729   1.037
   55    HA   CYS   6           HA       CYN   6   2.523  -6.357  -0.740
   56   1HB   CYS   6          2HB       CYN   6   4.451  -4.741  -1.113
   57   2HB   CYS   6          3HB       CYN   6   5.484  -6.153  -1.325
   58    H    THR   7           HN       THR   7   3.481  -8.037  -2.603
   59    HA   THR   7           HA       THR   7   3.280 -10.624  -1.210
   60    HB   THR   7           HB       THR   7   3.212  -9.914  -4.169
   61    HG1  THR   7           HG1      THR   7   1.545  -9.169  -2.565
   62   1HG2  THR   7          1HG2      THR   7   2.383 -12.472  -2.715
   63   2HG2  THR   7          2HG2      THR   7   2.085 -12.106  -4.423
   64   3HG2  THR   7          3HG2      THR   7   3.741 -12.348  -3.852
   65    H    VAL   8           HN       VAL   8   5.159 -10.538  -4.191
   66    HA   VAL   8           HA       VAL   8   7.398 -11.799  -2.767
   67    HB   VAL   8           HB       VAL   8   6.415 -12.766  -4.803
   68   1HG1  VAL   8          1HG1      VAL   8   5.916 -10.687  -6.093
   69   2HG1  VAL   8          2HG1      VAL   8   7.659 -10.426  -6.316
   70   3HG1  VAL   8          3HG1      VAL   8   6.876 -11.851  -7.012
   71   1HG2  VAL   8          1HG2      VAL   8   8.738 -13.271  -4.117
   72   2HG2  VAL   8          2HG2      VAL   8   8.506 -13.368  -5.870
   73   3HG2  VAL   8          3HG2      VAL   8   9.328 -11.963  -5.165
   74    H    CYS   9           HN       CYN   9   6.597  -8.844  -4.338
   75    HA   CYS   9           HA       CYN   9   8.804  -7.405  -4.969
   76   1HB   CYS   9          2HB       CYN   9   6.407  -6.850  -5.107
   77   2HB   CYS   9          3HB       CYN   9   6.385  -6.696  -3.346
   78    H    GLY  10           HN       GLY  10   7.408  -7.562  -1.645
   79   1HA   GLY  10          2HA       GLY  10   8.684  -7.848   0.316
   80   2HA   GLY  10          3HA       GLY  10  10.127  -7.221  -0.476
   81    H    TYR  11           HN       TYR  11   8.051  -4.928  -1.504
   82    HA   TYR  11           HA       TYR  11   8.815  -3.073   0.538
   83   1HB   TYR  11          2HB       TYR  11   6.870  -2.939  -1.785
   84   2HB   TYR  11          3HB       TYR  11   6.926  -1.637  -0.610
   85    HD1  TYR  11           HD2      TYR  11   9.484  -0.891   0.051
   86    HD2  TYR  11           HD1      TYR  11   8.028  -2.270  -3.758
   87    HE1  TYR  11           HE2      TYR  11  11.443   0.126  -1.073
   88    HE2  TYR  11           HE1      TYR  11  10.045  -1.382  -4.858
   89    HH   TYR  11           HOH      TYR  11  12.001  -0.205  -4.586
   90    H    ILE  12           HN       ILE  12   7.384  -1.749   1.840
   91    HA   ILE  12           HA       ILE  12   5.019  -3.169   2.923
   92    HB   ILE  12           HB       ILE  12   7.386  -1.988   4.395
   93   1HG1  ILE  12          2HG1      ILE  12   5.669  -4.460   4.880
   94   2HG1  ILE  12          3HG1      ILE  12   7.114  -4.466   3.862
   95   1HG2  ILE  12          2HG2      ILE  12   4.557  -2.266   5.493
   96   2HG2  ILE  12          3HG2      ILE  12   5.997  -1.992   6.494
   97   3HG2  ILE  12          1HG2      ILE  12   5.491  -0.756   5.366
   98   1HD1  ILE  12          2HD1      ILE  12   8.485  -3.775   5.813
   99   2HD1  ILE  12          3HD1      ILE  12   7.045  -3.907   6.854
  100   3HD1  ILE  12          1HD1      ILE  12   7.673  -5.338   6.028
  101    H    TYR  13           HN       TYR  13   3.268  -1.944   2.787
  102    HA   TYR  13           HA       TYR  13   3.431   0.938   2.141
  103   1HB   TYR  13          2HB       TYR  13   1.700  -0.308   1.017
  104   2HB   TYR  13          3HB       TYR  13   1.148  -1.029   2.529
  105    HD1  TYR  13           HD2      TYR  13   1.214   2.083   0.527
  106    HD2  TYR  13           HD1      TYR  13  -0.419   0.088   3.905
  107    HE1  TYR  13           HE2      TYR  13   0.037   4.182   1.158
  108    HE2  TYR  13           HE1      TYR  13  -1.706   2.152   4.529
  109    HH   TYR  13           HOH      TYR  13  -2.376   4.367   3.799
  110    H    ASN  14           HN       ASN  14   3.160   2.508   3.687
  111    HA   ASN  14           HA       ASN  14   2.512   1.688   6.471
  112   1HB   ASN  14          2HB       ASN  14   4.877   2.359   6.269
  113   2HB   ASN  14          3HB       ASN  14   4.381   3.900   5.572
  114   1HD2  ASN  14          2HND      ASN  14   4.966   4.602   9.137
  115   2HD2  ASN  14          1HND      ASN  14   5.744   4.589   7.575
  116    HA   PRO  15           HA       PRO  15  -0.848   4.423   5.416
  117   1HB   PRO  15          2HB       PRO  15  -2.162   4.341   7.929
  118   2HB   PRO  15          3HB       PRO  15  -2.482   3.178   6.648
  119   1HG   PRO  15          2HG       PRO  15  -0.810   2.869   9.060
  120   2HG   PRO  15          3HG       PRO  15  -1.638   1.615   8.076
  121   1HD   PRO  15          2HD       PRO  15   1.054   2.106   8.151
  122   2HD   PRO  15          3HD       PRO  15   0.256   1.254   6.827
  123    H    GLU  16           HN       GLU  16   0.951   4.698   8.443
  124    HA   GLU  16           HA       GLU  16  -0.039   7.300   9.055
  125   1HB   GLU  16          2HB       GLU  16   2.505   5.873   9.904
  126   2HB   GLU  16          3HB       GLU  16   1.798   7.315  10.617
  127   1HG   GLU  16          2HG       GLU  16  -0.395   5.890  10.850
  128   2HG   GLU  16          3HG       GLU  16   0.635   4.481  10.471
  129    H    ASP  17           HN       ASP  17   2.376   6.121   6.917
  130    HA   ASP  17           HA       ASP  17   3.519   8.832   6.340
  131   1HB   ASP  17          2HB       ASP  17   4.172   6.069   5.283
  132   2HB   ASP  17          3HB       ASP  17   4.961   7.553   4.774
  133    H    GLY  18           HN       GLY  18   1.377   6.319   5.044
  134   1HA   GLY  18          2HA       GLY  18   0.133   6.137   3.227
  135   2HA   GLY  18          3HA       GLY  18   0.252   7.867   2.913
  136    H    ASP  19           HN       ASP  19   0.495   7.294   0.686
  137    HA   ASP  19           HA       ASP  19   3.286   6.969  -0.149
  138   1HB   ASP  19          2HB       ASP  19   1.187   4.938  -0.705
  139   2HB   ASP  19          3HB       ASP  19   1.940   5.536  -2.163
  140    HA   PRO  20           HA       PRO  20   0.408  10.357  -1.602
  141   1HB   PRO  20          2HB       PRO  20   2.088  12.518  -1.156
  142   2HB   PRO  20          3HB       PRO  20   0.932  11.846   0.035
  143   1HG   PRO  20          2HG       PRO  20   3.896  11.291  -0.214
  144   2HG   PRO  20          3HG       PRO  20   2.960  11.621   1.274
  145   1HD   PRO  20          2HD       PRO  20   3.623   9.101   0.562
  146   2HD   PRO  20          3HD       PRO  20   2.013   9.446   1.252
  147    H    ASP  21           HN       ASP  21   3.910   9.845  -2.289
  148    HA   ASP  21           HA       ASP  21   4.169  11.300  -4.619
  149   1HB   ASP  21          2HB       ASP  21   5.368   8.618  -3.766
  150   2HB   ASP  21          3HB       ASP  21   6.016   9.681  -5.016
  151    H    ASN  22           HN       ASN  22   2.527   8.300  -3.977
  152    HA   ASN  22           HA       ASN  22   2.206   7.604  -6.844
  153   1HB   ASN  22          2HB       ASN  22   1.525   5.968  -4.380
  154   2HB   ASN  22          3HB       ASN  22   1.682   5.393  -6.037
  155   1HD2  ASN  22          2HND      ASN  22   4.958   5.815  -3.624
  156   2HD2  ASN  22          1HND      ASN  22   3.438   6.487  -3.156
  157    H    GLY  23           HN       GLY  23   0.526   8.712  -4.044
  158   1HA   GLY  23          2HA       GLY  23  -1.318  10.204  -4.843
  159   2HA   GLY  23          3HA       GLY  23  -2.072   8.773  -5.556
  160    H    VAL  24           HN       VAL  24  -0.576   8.004  -2.546
  161    HA   VAL  24           HA       VAL  24  -3.278   7.898  -1.246
  162    HB   VAL  24           HB       VAL  24  -0.752   6.268  -0.988
  163   1HG1  VAL  24          1HG1      VAL  24  -3.344   6.091   0.575
  164   2HG1  VAL  24          2HG1      VAL  24  -2.121   4.808   0.505
  165   3HG1  VAL  24          3HG1      VAL  24  -1.705   6.373   1.225
  166   1HG2  VAL  24          3HG2      VAL  24  -2.179   5.806  -2.988
  167   2HG2  VAL  24          1HG2      VAL  24  -2.164   4.447  -1.849
  168   3HG2  VAL  24          2HG2      VAL  24  -3.566   5.538  -1.920
  169    H    ASN  25           HN       ASN  25  -3.552   9.547   0.141
  170    HA   ASN  25           HA       ASN  25  -1.376  11.158   1.080
  171   1HB   ASN  25          2HB       ASN  25  -4.353  10.991   1.664
  172   2HB   ASN  25          3HB       ASN  25  -3.322  11.984   2.682
  173   1HD2  ASN  25          1HND      ASN  25  -3.729  11.400  -0.898
  174   2HD2  ASN  25          2HND      ASN  25  -3.632  13.101  -1.285
  175    HA   PRO  26           HA       PRO  26  -0.251   9.055   4.841
  176   1HB   PRO  26          2HB       PRO  26  -0.001  11.192   6.644
  177   2HB   PRO  26          3HB       PRO  26   1.254  10.568   5.558
  178   1HG   PRO  26          2HG       PRO  26  -0.512  12.965   5.206
  179   2HG   PRO  26          3HG       PRO  26   1.181  12.707   4.668
  180   1HD   PRO  26          2HD       PRO  26  -1.006  12.581   2.986
  181   2HD   PRO  26          3HD       PRO  26   0.498  11.657   2.709
  182    H    GLY  27           HN       GLY  27  -1.183   8.249   6.626
  183   1HA   GLY  27          2HA       GLY  27  -2.763   7.799   8.219
  184   2HA   GLY  27          3HA       GLY  27  -3.569   9.343   7.895
  185    H    THR  28           HN       THR  28  -2.989   7.232   5.022
  186    HA   THR  28           HA       THR  28  -5.904   6.832   4.962
  187    HB   THR  28           HB       THR  28  -3.691   6.237   2.956
  188    HG1  THR  28           HG1      THR  28  -3.983   8.428   3.086
  189   1HG2  THR  28          1HG2      THR  28  -6.722   6.181   2.782
  190   2HG2  THR  28          2HG2      THR  28  -5.628   6.046   1.383
  191   3HG2  THR  28          3HG2      THR  28  -5.609   4.799   2.649
  192    H    ASP  29           HN       ASP  29  -6.619   5.183   5.968
  193    HA   ASP  29           HA       ASP  29  -5.298   2.806   6.803
  194   1HB   ASP  29          2HB       ASP  29  -7.564   3.665   7.493
  195   2HB   ASP  29          3HB       ASP  29  -8.188   3.141   5.949
  196    H    PHE  30           HN       PHE  30  -4.800   1.036   5.681
  197    HA   PHE  30           HA       PHE  30  -4.537   0.880   2.908
  198   1HB   PHE  30          2HB       PHE  30  -3.696  -0.621   4.899
  199   2HB   PHE  30          3HB       PHE  30  -5.162  -1.563   4.637
  200    HD1  PHE  30           HD1      PHE  30  -2.401   0.070   2.776
  201    HD2  PHE  30           HD2      PHE  30  -5.020  -3.315   2.912
  202    HE1  PHE  30           HE1      PHE  30  -1.119  -0.944   0.917
  203    HE2  PHE  30           HE2      PHE  30  -3.843  -4.282   0.960
  204    HZ   PHE  30           HZ       PHE  30  -1.785  -3.111   0.064
  205    H    LYS  31           HN       LYS  31  -7.510   0.324   4.852
  206    HA   LYS  31           HA       LYS  31  -8.732  -1.185   2.663
  207   1HB   LYS  31          2HB       LYS  31 -10.755  -1.091   3.874
  208   2HB   LYS  31          3HB       LYS  31  -9.408  -1.457   4.969
  209   1HG   LYS  31          2HG       LYS  31  -9.352   1.123   5.384
  210   2HG   LYS  31          3HG       LYS  31 -10.895   1.155   4.601
  211   1HD   LYS  31          2HD       LYS  31 -11.672  -0.590   6.319
  212   2HD   LYS  31          3HD       LYS  31 -10.038  -0.485   7.017
  213   1HE   LYS  31          2HE       LYS  31 -10.788   2.193   6.948
  214   2HE   LYS  31          3HE       LYS  31 -12.344   1.425   7.270
  215   1HZ   LYS  31          1HNZ      LYS  31 -11.181   0.360   9.181
  216   2HZ   LYS  31          2HNZ      LYS  31  -9.807   1.177   8.746
  217   3HZ   LYS  31          3HNZ      LYS  31 -11.116   2.018   9.250
  218    H    ASP  32           HN       ASP  32  -8.699   2.219   3.726
  219    HA   ASP  32           HA       ASP  32 -10.643   3.193   1.872
  220   1HB   ASP  32          2HB       ASP  32  -8.517   4.532   3.602
  221   2HB   ASP  32          3HB       ASP  32  -9.630   5.423   2.561
  222    H    ILE  33           HN       ILE  33  -7.214   2.378   1.506
  223    HA   ILE  33           HA       ILE  33  -6.435   4.151  -0.417
  224    HB   ILE  33           HB       ILE  33  -5.924   1.204  -0.170
  225   1HG1  ILE  33          2HG1      ILE  33  -4.574   3.736   0.812
  226   2HG1  ILE  33          3HG1      ILE  33  -5.226   2.499   1.813
  227   1HG2  ILE  33          2HG2      ILE  33  -5.318   1.996  -2.396
  228   2HG2  ILE  33          3HG2      ILE  33  -4.209   3.154  -1.598
  229   3HG2  ILE  33          1HG2      ILE  33  -4.005   1.389  -1.385
  230   1HD1  ILE  33          2HD1      ILE  33  -3.467   0.930   0.761
  231   2HD1  ILE  33          3HD1      ILE  33  -2.677   2.420   0.180
  232   3HD1  ILE  33          1HD1      ILE  33  -2.929   2.169   1.912
  233    HA   PRO  34           HA       PRO  34  -9.498   3.257  -3.566
  234   1HB   PRO  34          2HB       PRO  34  -7.881   4.159  -5.751
  235   2HB   PRO  34          3HB       PRO  34  -9.140   5.078  -4.903
  236   1HG   PRO  34          2HG       PRO  34  -6.265   5.437  -4.823
  237   2HG   PRO  34          3HG       PRO  34  -7.507   6.373  -3.948
  238   1HD   PRO  34          2HD       PRO  34  -5.720   4.288  -2.908
  239   2HD   PRO  34          3HD       PRO  34  -6.782   5.386  -2.017
  240    H    ASP  35           HN       ASP  35  -9.897   1.462  -4.916
  241    HA   ASP  35           HA       ASP  35  -7.876  -0.571  -4.990
  242   1HB   ASP  35          2HB       ASP  35 -10.716  -0.430  -5.360
  243   2HB   ASP  35          3HB       ASP  35 -10.038  -1.102  -6.844
  244    H    ASP  36           HN       ASP  36  -8.341   2.147  -7.038
  245    HA   ASP  36           HA       ASP  36  -7.068   0.973  -9.360
  246   1HB   ASP  36          2HB       ASP  36  -7.063   3.250 -10.184
  247   2HB   ASP  36          3HB       ASP  36  -8.669   2.822  -9.593
  248    H    TRP  37           HN       TRP  37  -5.949   1.957  -6.251
  249    HA   TRP  37           HA       TRP  37  -3.366   2.951  -7.166
  250   1HB   TRP  37          2HB       TRP  37  -4.340   3.682  -5.020
  251   2HB   TRP  37          3HB       TRP  37  -4.351   2.012  -4.475
  252    HD1  TRP  37           HD       TRP  37  -1.755   4.745  -5.262
  253    HE1  TRP  37           HNE      TRP  37   0.390   4.204  -3.953
  254    HE3  TRP  37           HE       TRP  37  -3.087   0.223  -3.455
  255    HZ2  TRP  37           HZ1      TRP  37   1.393   2.044  -2.279
  256    HZ3  TRP  37           HZ2      TRP  37  -1.509  -1.133  -2.035
  257    HH2  TRP  37           HH       TRP  37   0.724  -0.213  -1.454
  258    H    VAL  38           HN       VAL  38  -1.398   1.808  -6.848
  259    HA   VAL  38           HA       VAL  38  -1.477  -1.130  -6.652
  260    HB   VAL  38           HB       VAL  38  -1.877  -0.498  -9.036
  261   1HG1  VAL  38          3HG1      VAL  38  -0.582   1.619  -9.107
  262   2HG1  VAL  38          1HG1      VAL  38   0.929   0.691  -8.974
  263   3HG1  VAL  38          2HG1      VAL  38  -0.116   0.495 -10.392
  264   1HG2  VAL  38          1HG2      VAL  38  -0.773  -2.626  -8.487
  265   2HG2  VAL  38          2HG2      VAL  38  -0.280  -1.972 -10.053
  266   3HG2  VAL  38          3HG2      VAL  38   0.821  -1.849  -8.674
  267    H    CYS  39           HN       CYN  39   0.800  -1.955  -6.527
  268    HA   CYS  39           HA       CYN  39   2.287  -0.791  -4.514
  269   1HB   CYS  39          2HB       CYN  39   2.349  -3.139  -5.649
  270   2HB   CYS  39          3HB       CYN  39   3.523  -2.414  -6.747
  271    HA   PRO  40           HA       PRO  40   4.005   2.767  -6.436
  272   1HB   PRO  40          2HB       PRO  40   6.388   3.198  -5.090
  273   2HB   PRO  40          3HB       PRO  40   4.774   3.464  -4.382
  274   1HG   PRO  40          2HG       PRO  40   6.446   0.974  -4.077
  275   2HG   PRO  40          3HG       PRO  40   5.677   1.963  -2.795
  276   1HD   PRO  40          2HD       PRO  40   4.416  -0.190  -3.676
  277   2HD   PRO  40          3HD       PRO  40   3.476   1.308  -3.510
  278    H    LEU  41           HN       LEU  41   6.203  -0.049  -6.243
  279    HA   LEU  41           HA       LEU  41   7.320   0.665  -8.922
  280   1HB   LEU  41          2HB       LEU  41   8.954  -0.174  -6.504
  281   2HB   LEU  41          3HB       LEU  41   9.598   0.170  -8.114
  282    HG   LEU  41           HG       LEU  41   8.245   2.229  -6.318
  283   1HD1  LEU  41          1HD1      LEU  41  11.199   1.673  -6.744
  284   2HD1  LEU  41          2HD1      LEU  41  10.522   3.085  -5.902
  285   3HD1  LEU  41          3HD1      LEU  41  10.269   1.461  -5.244
  286   1HD2  LEU  41          3HD2      LEU  41   8.465   2.555  -8.977
  287   2HD2  LEU  41          1HD2      LEU  41   8.839   3.869  -7.857
  288   3HD2  LEU  41          2HD2      LEU  41  10.150   2.906  -8.565
  289    H    CYS  42           HN       CYN  42   5.249  -1.174  -8.496
  290    HA   CYS  42           HA       CYN  42   6.355  -3.617  -9.493
  291   1HB   CYS  42          2HB       CYN  42   6.970  -4.369  -7.464
  292   2HB   CYS  42          3HB       CYN  42   5.921  -3.274  -6.597
  293    H    GLY  43           HN       GLY  43   4.278  -5.216  -9.440
  294   1HA   GLY  43          2HA       GLY  43   1.890  -3.610 -10.287
  295   2HA   GLY  43          3HA       GLY  43   2.663  -4.742 -11.404
  296    H    VAL  44           HN       VAL  44   1.503  -4.639  -7.984
  297    HA   VAL  44           HA       VAL  44  -0.058  -7.102  -8.526
  298    HB   VAL  44           HB       VAL  44   2.035  -7.610  -7.216
  299   1HG1  VAL  44          3HG1      VAL  44   2.083  -5.533  -5.810
  300   2HG1  VAL  44          1HG1      VAL  44   0.642  -6.125  -4.951
  301   3HG1  VAL  44          2HG1      VAL  44   2.150  -7.042  -4.879
  302   1HG2  VAL  44          3HG2      VAL  44   0.047  -9.071  -7.145
  303   2HG2  VAL  44          1HG2      VAL  44   0.908  -9.046  -5.598
  304   3HG2  VAL  44          2HG2      VAL  44  -0.601  -8.132  -5.778
  305    H    GLY  45           HN       GLY  45  -2.103  -7.092  -7.638
  306   1HA   GLY  45          2HA       GLY  45  -3.352  -4.557  -7.289
  307   2HA   GLY  45          3HA       GLY  45  -4.074  -6.146  -6.965
  308    H    LYS  46           HN       LYS  46  -4.181  -3.549  -5.397
  309    HA   LYS  46           HA       LYS  46  -2.619  -3.791  -3.075
  310   1HB   LYS  46          2HB       LYS  46  -4.041  -2.228  -2.048
  311   2HB   LYS  46          3HB       LYS  46  -3.762  -1.780  -3.736
  312   1HG   LYS  46          2HG       LYS  46  -5.966  -2.291  -4.412
  313   2HG   LYS  46          3HG       LYS  46  -6.324  -3.201  -2.931
  314   1HD   LYS  46          2HD       LYS  46  -5.878  -0.219  -3.028
  315   2HD   LYS  46          3HD       LYS  46  -7.426  -1.076  -2.981
  316   1HE   LYS  46          2HE       LYS  46  -6.203  -2.311  -0.884
  317   2HE   LYS  46          3HE       LYS  46  -5.421  -0.761  -0.799
  318   1HZ   LYS  46          2HNZ      LYS  46  -7.799   0.184  -0.902
  319   2HZ   LYS  46          3HNZ      LYS  46  -8.344  -1.345  -0.720
  320   3HZ   LYS  46          1HNZ      LYS  46  -7.419  -0.640   0.465
  321    H    ASP  47           HN       ASP  47  -5.721  -5.284  -3.898
  322    HA   ASP  47           HA       ASP  47  -6.207  -6.433  -1.297
  323   1HB   ASP  47          2HB       ASP  47  -8.024  -5.904  -2.904
  324   2HB   ASP  47          3HB       ASP  47  -7.385  -7.123  -4.023
  325    H    GLN  48           HN       GLN  48  -4.008  -7.173  -1.120
  326    HA   GLN  48           HA       GLN  48  -3.670  -9.995  -1.521
  327   1HB   GLN  48          2HB       GLN  48  -3.039  -8.820  -3.860
  328   2HB   GLN  48          3HB       GLN  48  -1.574  -8.365  -2.999
  329   1HG   GLN  48          2HG       GLN  48  -1.057 -10.413  -4.080
  330   2HG   GLN  48          3HG       GLN  48  -1.320 -10.865  -2.394
  331   1HE2  GLN  48          2HNE      GLN  48  -4.147 -11.898  -5.253
  332   2HE2  GLN  48          1HNE      GLN  48  -3.121 -10.497  -5.511
  333    H    PHE  49           HN       PHE  49  -2.271  -6.814  -0.837
  334    HA   PHE  49           HA       PHE  49   0.112  -7.591   0.423
  335   1HB   PHE  49          2HB       PHE  49  -1.726  -5.215   0.752
  336   2HB   PHE  49          3HB       PHE  49  -0.235  -5.249   1.571
  337    HD1  PHE  49           HD2      PHE  49  -1.328  -5.643  -2.065
  338    HD2  PHE  49           HD1      PHE  49   1.563  -4.091   0.763
  339    HE1  PHE  49           HE2      PHE  49  -0.300  -4.301  -3.837
  340    HE2  PHE  49           HE1      PHE  49   2.662  -2.865  -1.084
  341    HZ   PHE  49           HZ       PHE  49   1.720  -2.939  -3.362
  342    H    GLU  50           HN       GLU  50   0.618  -8.032   2.618
  343    HA   GLU  50           HA       GLU  50  -1.663  -9.129   4.234
  344   1HB   GLU  50          2HB       GLU  50   1.339  -9.694   4.141
  345   2HB   GLU  50          3HB       GLU  50   0.309 -10.226   5.462
  346   1HG   GLU  50          2HG       GLU  50  -1.147 -11.442   3.806
  347   2HG   GLU  50          3HG       GLU  50  -0.027 -10.967   2.515
  348    H    GLU  51           HN       GLU  51  -1.716  -8.597   6.610
  349    HA   GLU  51           HA       GLU  51  -0.983  -5.846   7.078
  350   1HB   GLU  51          2HB       GLU  51  -3.108  -6.741   7.858
  351   2HB   GLU  51          3HB       GLU  51  -2.306  -8.077   8.692
  352   1HG   GLU  51          2HG       GLU  51  -1.335  -6.685  10.253
  353   2HG   GLU  51          3HG       GLU  51  -1.829  -5.177   9.435
  354    H    VAL  52           HN       VAL  52   0.670  -5.046   8.381
  355    HA   VAL  52           HA       VAL  52   2.751  -6.944   9.286
  356    HB   VAL  52           HB       VAL  52   2.681  -4.114   8.222
  357   1HG1  VAL  52          3HG1      VAL  52   4.867  -5.330   9.975
  358   2HG1  VAL  52          1HG1      VAL  52   5.070  -3.891   8.943
  359   3HG1  VAL  52          2HG1      VAL  52   3.928  -3.852  10.287
  360   1HG2  VAL  52          2HG2      VAL  52   3.050  -6.065   6.793
  361   2HG2  VAL  52          3HG2      VAL  52   4.406  -4.916   6.813
  362   3HG2  VAL  52          1HG2      VAL  52   4.520  -6.446   7.719
  363    H    GLU  53           HN       GLU  53   2.242  -7.520  11.276
  364    HA   GLU  53           HA       GLU  53   0.777  -6.020  13.146
  365   1HB   GLU  53          2HB       GLU  53   1.303  -7.875  14.615
  366   2HB   GLU  53          3HB       GLU  53   0.617  -8.367  13.066
  367   1HG   GLU  53          2HG       GLU  53   2.976  -8.982  12.315
  368   2HG   GLU  53          3HG       GLU  53   3.537  -8.574  13.927
  369    H    GLU  54           HN       GLU  54   2.249  -4.172  12.779
  370    HA   GLU  54           HA       GLU  54   4.200  -3.704  14.929
  371   1HB   GLU  54          2HB       GLU  54   2.219  -1.708  13.863
  372   2HB   GLU  54          3HB       GLU  54   3.707  -1.385  14.744
  373   1HG   GLU  54          2HG       GLU  54   4.159  -2.891  12.214
  374   2HG   GLU  54          3HG       GLU  54   3.332  -1.354  11.997
   
  No H/Q in entry =         374
  Start of MODEL   16
    1   1H    MET   1          1HN       MET   1  -0.859   3.327  11.690
    2   2H    MET   1          2HN       MET   1  -1.915   4.278  10.905
    3   3H    MET   1          3HN       MET   1  -1.826   4.210  12.565
    4    HA   MET   1           HA       MET   1  -3.148   2.253  12.543
    5   1HB   MET   1          2HB       MET   1  -4.067   3.627  10.434
    6   2HB   MET   1          3HB       MET   1  -3.228   2.422   9.519
    7   1HG   MET   1          2HG       MET   1  -5.008   1.335  11.547
    8   2HG   MET   1          3HG       MET   1  -5.780   2.145  10.181
    9   1HE   MET   1          3HE       MET   1  -7.024  -0.228   9.981
   10   2HE   MET   1          1HE       MET   1  -6.201  -1.709   9.442
   11   3HE   MET   1          2HE       MET   1  -5.958  -1.107  11.099
   12    H    LYS   2           HN       LYS   2  -3.063  -0.162  11.453
   13    HA   LYS   2           HA       LYS   2  -0.323  -0.926  11.729
   14   1HB   LYS   2          2HB       LYS   2  -2.731  -2.446  10.634
   15   2HB   LYS   2          3HB       LYS   2  -1.107  -3.103  10.846
   16   1HG   LYS   2          2HG       LYS   2  -1.658  -1.934  13.356
   17   2HG   LYS   2          3HG       LYS   2  -3.216  -2.595  12.830
   18   1HD   LYS   2          2HD       LYS   2  -1.633  -4.700  12.156
   19   2HD   LYS   2          3HD       LYS   2  -0.534  -4.002  13.321
   20   1HE   LYS   2          2HE       LYS   2  -3.452  -4.829  13.798
   21   2HE   LYS   2          3HE       LYS   2  -2.054  -5.858  14.103
   22   1HZ   LYS   2          3HNZ      LYS   2  -1.259  -4.193  15.686
   23   2HZ   LYS   2          1HNZ      LYS   2  -2.644  -3.319  15.470
   24   3HZ   LYS   2          2HNZ      LYS   2  -2.713  -4.832  16.118
   25    H    LYS   3           HN       LYS   3   1.176  -1.443  10.285
   26    HA   LYS   3           HA       LYS   3   1.073  -0.482   7.550
   27   1HB   LYS   3          2HB       LYS   3   3.036  -2.132   9.158
   28   2HB   LYS   3          3HB       LYS   3   3.378  -1.462   7.545
   29   1HG   LYS   3          2HG       LYS   3   2.956   0.806   8.384
   30   2HG   LYS   3          3HG       LYS   3   2.557   0.208   9.974
   31   1HD   LYS   3          2HD       LYS   3   4.780  -0.772  10.251
   32   2HD   LYS   3          3HD       LYS   3   5.306  -0.060   8.707
   33   1HE   LYS   3          2HE       LYS   3   5.244   2.141   9.559
   34   2HE   LYS   3          3HE       LYS   3   3.995   1.753  10.755
   35   1HZ   LYS   3          2HNZ      LYS   3   6.768   0.840  11.021
   36   2HZ   LYS   3          3HNZ      LYS   3   6.088   2.146  11.787
   37   3HZ   LYS   3          1HNZ      LYS   3   5.496   0.652  12.069
   38    H    TYR   4           HN       TYR   4   1.863  -2.058   5.802
   39    HA   TYR   4           HA       TYR   4   0.876  -4.779   6.169
   40   1HB   TYR   4          2HB       TYR   4  -0.244  -3.170   3.802
   41   2HB   TYR   4          3HB       TYR   4  -0.310  -4.881   4.053
   42    HD1  TYR   4           HD2      TYR   4  -1.339  -1.831   6.082
   43    HD2  TYR   4           HD1      TYR   4  -2.362  -5.745   4.590
   44    HE1  TYR   4           HE2      TYR   4  -3.315  -1.889   7.561
   45    HE2  TYR   4           HE1      TYR   4  -4.318  -5.798   6.097
   46    HH   TYR   4           HOH      TYR   4  -4.740  -4.478   8.623
   47    H    THR   5           HN       THR   5   2.131  -6.261   5.075
   48    HA   THR   5           HA       THR   5   4.381  -5.154   3.465
   49    HB   THR   5           HB       THR   5   4.895  -6.760   5.257
   50    HG1  THR   5           HG1      THR   5   6.093  -8.156   3.697
   51   1HG2  THR   5          2HG2      THR   5   2.914  -8.263   5.069
   52   2HG2  THR   5          3HG2      THR   5   3.507  -8.831   3.493
   53   3HG2  THR   5          1HG2      THR   5   4.442  -9.143   4.967
   54    H    CYS   6           HN       CYN   6   4.957  -6.113   1.460
   55    HA   CYS   6           HA       CYN   6   2.705  -6.494  -0.403
   56   1HB   CYS   6          2HB       CYN   6   4.742  -5.067  -0.895
   57   2HB   CYS   6          3HB       CYN   6   5.692  -6.558  -0.909
   58    H    THR   7           HN       THR   7   3.102  -8.385  -1.988
   59    HA   THR   7           HA       THR   7   4.118 -10.832  -0.593
   60    HB   THR   7           HB       THR   7   1.647 -10.584  -0.385
   61    HG1  THR   7           HG1      THR   7   1.327 -12.681  -0.709
   62   1HG2  THR   7          1HG2      THR   7   1.192  -9.561  -2.629
   63   2HG2  THR   7          2HG2      THR   7   1.584 -11.123  -3.385
   64   3HG2  THR   7          3HG2      THR   7   0.202 -10.992  -2.284
   65    H    VAL   8           HN       VAL   8   5.016  -8.839  -2.810
   66    HA   VAL   8           HA       VAL   8   5.867 -10.949  -4.746
   67    HB   VAL   8           HB       VAL   8   4.744  -8.201  -5.385
   68   1HG1  VAL   8          1HG1      VAL   8   6.090 -10.239  -7.218
   69   2HG1  VAL   8          2HG1      VAL   8   5.173  -8.819  -7.768
   70   3HG1  VAL   8          3HG1      VAL   8   6.667  -8.594  -6.858
   71   1HG2  VAL   8          3HG2      VAL   8   3.847 -11.035  -6.076
   72   2HG2  VAL   8          1HG2      VAL   8   2.999  -9.875  -5.027
   73   3HG2  VAL   8          2HG2      VAL   8   3.143  -9.557  -6.750
   74    H    CYS   9           HN       CYN   9   6.463  -7.458  -3.908
   75    HA   CYS   9           HA       CYN   9   9.377  -8.012  -4.164
   76   1HB   CYS   9          2HB       CYN   9   9.503  -5.509  -4.053
   77   2HB   CYS   9          3HB       CYN   9   8.731  -6.215  -5.479
   78    H    GLY  10           HN       GLY  10   7.952  -5.621  -2.088
   79   1HA   GLY  10          2HA       GLY  10   7.694  -6.806   0.387
   80   2HA   GLY  10          3HA       GLY  10   9.434  -6.483   0.264
   81    H    TYR  11           HN       TYR  11   6.957  -4.409  -1.286
   82    HA   TYR  11           HA       TYR  11   8.271  -2.121  -0.089
   83   1HB   TYR  11          2HB       TYR  11   7.369  -2.552  -2.509
   84   2HB   TYR  11          3HB       TYR  11   5.834  -2.001  -1.891
   85    HD1  TYR  11           HD2      TYR  11   6.065   0.367  -0.469
   86    HD2  TYR  11           HD1      TYR  11   8.726  -1.039  -3.566
   87    HE1  TYR  11           HE2      TYR  11   6.850   2.679  -0.854
   88    HE2  TYR  11           HE1      TYR  11   9.509   1.269  -3.937
   89    HH   TYR  11           HOH      TYR  11   9.293   3.481  -3.342
   90    H    ILE  12           HN       ILE  12   7.619  -2.856   2.139
   91    HA   ILE  12           HA       ILE  12   5.093  -3.045   3.139
   92    HB   ILE  12           HB       ILE  12   7.610  -1.961   4.367
   93   1HG1  ILE  12          2HG1      ILE  12   5.765  -4.276   5.104
   94   2HG1  ILE  12          3HG1      ILE  12   7.017  -4.417   3.866
   95   1HG2  ILE  12          2HG2      ILE  12   4.888  -1.970   5.758
   96   2HG2  ILE  12          3HG2      ILE  12   6.433  -1.878   6.615
   97   3HG2  ILE  12          1HG2      ILE  12   5.956  -0.566   5.565
   98   1HD1  ILE  12          3HD1      ILE  12   8.757  -3.908   5.538
   99   2HD1  ILE  12          1HD1      ILE  12   7.512  -3.839   6.811
  100   3HD1  ILE  12          2HD1      ILE  12   7.806  -5.351   5.941
  101    H    TYR  13           HN       TYR  13   3.321  -1.953   2.944
  102    HA   TYR  13           HA       TYR  13   3.282   0.904   2.290
  103   1HB   TYR  13          2HB       TYR  13   1.588  -0.581   1.346
  104   2HB   TYR  13          3HB       TYR  13   1.122  -1.119   2.969
  105    HD1  TYR  13           HD2      TYR  13  -0.152   0.373   4.484
  106    HD2  TYR  13           HD1      TYR  13   0.767   1.529   0.463
  107    HE1  TYR  13           HE2      TYR  13  -1.617   2.356   4.711
  108    HE2  TYR  13           HE1      TYR  13  -0.258   3.768   0.876
  109    HH   TYR  13           HOH      TYR  13  -2.348   4.386   3.738
  110    H    ASN  14           HN       ASN  14   3.023   2.487   3.783
  111    HA   ASN  14           HA       ASN  14   2.464   1.733   6.599
  112   1HB   ASN  14          2HB       ASN  14   4.805   2.261   6.390
  113   2HB   ASN  14          3HB       ASN  14   4.422   3.769   5.542
  114   1HD2  ASN  14          2HND      ASN  14   4.990   5.181   8.638
  115   2HD2  ASN  14          1HND      ASN  14   5.909   4.342   7.490
  116    HA   PRO  15           HA       PRO  15  -0.874   4.483   5.460
  117   1HB   PRO  15          2HB       PRO  15  -2.234   4.414   7.937
  118   2HB   PRO  15          3HB       PRO  15  -2.496   3.205   6.690
  119   1HG   PRO  15          2HG       PRO  15  -0.851   3.018   9.134
  120   2HG   PRO  15          3HG       PRO  15  -1.661   1.708   8.206
  121   1HD   PRO  15          2HD       PRO  15   1.040   2.250   8.258
  122   2HD   PRO  15          3HD       PRO  15   0.248   1.327   6.969
  123    H    GLU  16           HN       GLU  16   0.844   4.745   8.534
  124    HA   GLU  16           HA       GLU  16  -0.024   7.364   9.195
  125   1HB   GLU  16          2HB       GLU  16   2.480   5.778   9.871
  126   2HB   GLU  16          3HB       GLU  16   1.995   7.242  10.662
  127   1HG   GLU  16          2HG       GLU  16  -0.396   5.779  10.680
  128   2HG   GLU  16          3HG       GLU  16   0.795   4.461  10.734
  129    H    ASP  17           HN       ASP  17   2.332   6.169   6.968
  130    HA   ASP  17           HA       ASP  17   3.391   8.922   6.421
  131   1HB   ASP  17          2HB       ASP  17   4.391   6.146   5.770
  132   2HB   ASP  17          3HB       ASP  17   5.073   7.623   5.091
  133    H    GLY  18           HN       GLY  18   1.345   6.369   5.129
  134   1HA   GLY  18          2HA       GLY  18   0.106   6.168   3.291
  135   2HA   GLY  18          3HA       GLY  18   0.289   7.893   2.970
  136    H    ASP  19           HN       ASP  19   0.472   7.305   0.749
  137    HA   ASP  19           HA       ASP  19   3.244   6.913  -0.102
  138   1HB   ASP  19          2HB       ASP  19   1.068   4.929  -0.642
  139   2HB   ASP  19          3HB       ASP  19   1.926   5.446  -2.074
  140    HA   PRO  20           HA       PRO  20   0.403  10.284  -1.670
  141   1HB   PRO  20          2HB       PRO  20   2.095  12.440  -1.244
  142   2HB   PRO  20          3HB       PRO  20   0.887  11.824  -0.074
  143   1HG   PRO  20          2HG       PRO  20   3.853  11.255  -0.185
  144   2HG   PRO  20          3HG       PRO  20   2.850  11.606   1.254
  145   1HD   PRO  20          2HD       PRO  20   3.569   9.076   0.592
  146   2HD   PRO  20          3HD       PRO  20   1.949   9.416   1.257
  147    H    ASP  21           HN       ASP  21   3.891   9.633  -2.252
  148    HA   ASP  21           HA       ASP  21   4.250  11.057  -4.607
  149   1HB   ASP  21          2HB       ASP  21   5.388   8.398  -3.597
  150   2HB   ASP  21          3HB       ASP  21   6.071   9.360  -4.910
  151    H    ASN  22           HN       ASN  22   2.567   8.092  -3.906
  152    HA   ASN  22           HA       ASN  22   2.288   7.293  -6.751
  153   1HB   ASN  22          2HB       ASN  22   1.513   5.891  -4.175
  154   2HB   ASN  22          3HB       ASN  22   1.518   5.170  -5.785
  155   1HD2  ASN  22          2HND      ASN  22   4.946   5.343  -3.596
  156   2HD2  ASN  22          1HND      ASN  22   3.544   6.222  -3.060
  157    H    GLY  23           HN       GLY  23   0.568   8.527  -4.034
  158   1HA   GLY  23          2HA       GLY  23  -1.208  10.060  -4.856
  159   2HA   GLY  23          3HA       GLY  23  -1.973   8.672  -5.637
  160    H    VAL  24           HN       VAL  24  -0.556   8.094  -2.477
  161    HA   VAL  24           HA       VAL  24  -3.297   7.913  -1.263
  162    HB   VAL  24           HB       VAL  24  -0.790   6.256  -1.011
  163   1HG1  VAL  24          2HG1      VAL  24  -3.339   6.189   0.617
  164   2HG1  VAL  24          3HG1      VAL  24  -2.223   4.818   0.489
  165   3HG1  VAL  24          1HG1      VAL  24  -1.658   6.340   1.202
  166   1HG2  VAL  24          1HG2      VAL  24  -2.260   5.798  -2.987
  167   2HG2  VAL  24          2HG2      VAL  24  -2.215   4.442  -1.846
  168   3HG2  VAL  24          3HG2      VAL  24  -3.623   5.527  -1.886
  169    H    ASN  25           HN       ASN  25  -3.571   9.559   0.101
  170    HA   ASN  25           HA       ASN  25  -1.422  11.165   1.087
  171   1HB   ASN  25          2HB       ASN  25  -4.401  10.960   1.648
  172   2HB   ASN  25          3HB       ASN  25  -3.392  11.938   2.700
  173   1HD2  ASN  25          2HND      ASN  25  -3.691  13.145  -1.241
  174   2HD2  ASN  25          1HND      ASN  25  -3.799  11.437  -0.886
  175    HA   PRO  26           HA       PRO  26  -0.319   9.021   4.839
  176   1HB   PRO  26          2HB       PRO  26   0.017  11.099   6.651
  177   2HB   PRO  26          3HB       PRO  26   1.215  10.542   5.464
  178   1HG   PRO  26          2HG       PRO  26  -0.664  12.890   5.273
  179   2HG   PRO  26          3HG       PRO  26   1.039  12.763   4.726
  180   1HD   PRO  26          2HD       PRO  26  -1.113  12.576   3.027
  181   2HD   PRO  26          3HD       PRO  26   0.420  11.704   2.737
  182    H    GLY  27           HN       GLY  27  -1.233   8.284   6.662
  183   1HA   GLY  27          2HA       GLY  27  -2.833   7.830   8.236
  184   2HA   GLY  27          3HA       GLY  27  -3.663   9.354   7.870
  185    H    THR  28           HN       THR  28  -3.022   7.206   5.038
  186    HA   THR  28           HA       THR  28  -5.928   6.727   4.976
  187    HB   THR  28           HB       THR  28  -3.692   6.248   2.963
  188    HG1  THR  28           HG1      THR  28  -4.024   8.406   3.074
  189   1HG2  THR  28          2HG2      THR  28  -6.714   6.079   2.760
  190   2HG2  THR  28          3HG2      THR  28  -5.603   6.016   1.370
  191   3HG2  THR  28          1HG2      THR  28  -5.547   4.742   2.608
  192    H    ASP  29           HN       ASP  29  -6.604   5.010   5.920
  193    HA   ASP  29           HA       ASP  29  -5.152   2.690   6.733
  194   1HB   ASP  29          2HB       ASP  29  -7.426   3.469   7.493
  195   2HB   ASP  29          3HB       ASP  29  -8.074   2.935   5.962
  196    H    PHE  30           HN       PHE  30  -4.621   0.931   5.613
  197    HA   PHE  30           HA       PHE  30  -4.410   0.676   2.861
  198   1HB   PHE  30          2HB       PHE  30  -3.602  -0.791   4.889
  199   2HB   PHE  30          3HB       PHE  30  -5.057  -1.735   4.594
  200    HD1  PHE  30           HD2      PHE  30  -5.331  -2.757   2.182
  201    HD2  PHE  30           HD1      PHE  30  -1.685  -1.001   3.630
  202    HE1  PHE  30           HE2      PHE  30  -4.124  -3.561   0.166
  203    HE2  PHE  30           HE1      PHE  30  -0.526  -1.688   1.531
  204    HZ   PHE  30           HZ       PHE  30  -1.694  -2.968  -0.119
  205    H    LYS  31           HN       LYS  31  -7.373   0.121   4.877
  206    HA   LYS  31           HA       LYS  31  -8.624  -1.389   2.704
  207   1HB   LYS  31          2HB       LYS  31 -10.578  -1.419   3.984
  208   2HB   LYS  31          3HB       LYS  31  -9.191  -1.695   5.061
  209   1HG   LYS  31          2HG       LYS  31  -9.251   0.849   5.490
  210   2HG   LYS  31          3HG       LYS  31 -10.777   0.859   4.652
  211   1HD   LYS  31          2HD       LYS  31 -11.616  -0.848   6.297
  212   2HD   LYS  31          3HD       LYS  31 -10.022  -0.758   7.107
  213   1HE   LYS  31          2HE       LYS  31 -10.357   1.727   7.423
  214   2HE   LYS  31          3HE       LYS  31 -11.967   1.594   6.720
  215   1HZ   LYS  31          1HNZ      LYS  31 -11.016   0.255   9.162
  216   2HZ   LYS  31          2HNZ      LYS  31 -11.975   1.592   9.114
  217   3HZ   LYS  31          3HNZ      LYS  31 -12.556   0.151   8.554
  218    H    ASP  32           HN       ASP  32  -8.545   1.978   3.828
  219    HA   ASP  32           HA       ASP  32 -10.566   3.010   2.089
  220   1HB   ASP  32          2HB       ASP  32  -8.353   4.320   3.734
  221   2HB   ASP  32          3HB       ASP  32  -9.536   5.209   2.780
  222    H    ILE  33           HN       ILE  33  -7.123   2.201   1.600
  223    HA   ILE  33           HA       ILE  33  -6.425   3.939  -0.376
  224    HB   ILE  33           HB       ILE  33  -5.883   1.004  -0.150
  225   1HG1  ILE  33          2HG1      ILE  33  -4.500   3.535   0.778
  226   2HG1  ILE  33          3HG1      ILE  33  -5.129   2.330   1.828
  227   1HG2  ILE  33          1HG2      ILE  33  -5.354   1.879  -2.393
  228   2HG2  ILE  33          2HG2      ILE  33  -4.243   3.024  -1.587
  229   3HG2  ILE  33          3HG2      ILE  33  -4.009   1.256  -1.437
  230   1HD1  ILE  33          3HD1      ILE  33  -3.436   0.688   0.719
  231   2HD1  ILE  33          1HD1      ILE  33  -2.642   2.174   0.122
  232   3HD1  ILE  33          2HD1      ILE  33  -2.844   1.898   1.858
  233    HA   PRO  34           HA       PRO  34  -9.578   2.890  -3.417
  234   1HB   PRO  34          2HB       PRO  34  -8.203   3.955  -5.675
  235   2HB   PRO  34          3HB       PRO  34  -9.380   4.787  -4.636
  236   1HG   PRO  34          2HG       PRO  34  -6.482   5.188  -4.785
  237   2HG   PRO  34          3HG       PRO  34  -7.691   6.129  -3.871
  238   1HD   PRO  34          2HD       PRO  34  -5.833   4.103  -2.879
  239   2HD   PRO  34          3HD       PRO  34  -6.895   5.163  -1.950
  240    H    ASP  35           HN       ASP  35  -9.920   1.111  -4.765
  241    HA   ASP  35           HA       ASP  35  -7.983  -0.923  -5.044
  242   1HB   ASP  35          2HB       ASP  35 -10.791  -0.401  -5.773
  243   2HB   ASP  35          3HB       ASP  35  -9.938  -1.198  -7.077
  244    H    ASP  36           HN       ASP  36  -8.500   1.970  -6.882
  245    HA   ASP  36           HA       ASP  36  -7.312   1.168  -9.352
  246   1HB   ASP  36          2HB       ASP  36  -8.596   3.450  -8.259
  247   2HB   ASP  36          3HB       ASP  36  -7.091   3.917  -9.056
  248    H    TRP  37           HN       TRP  37  -5.987   1.831  -6.234
  249    HA   TRP  37           HA       TRP  37  -3.488   3.008  -7.187
  250   1HB   TRP  37          2HB       TRP  37  -4.459   3.614  -5.006
  251   2HB   TRP  37          3HB       TRP  37  -4.367   1.931  -4.509
  252    HD1  TRP  37           HD       TRP  37  -1.930   4.802  -5.338
  253    HE1  TRP  37           HNE      TRP  37   0.280   4.342  -4.106
  254    HE3  TRP  37           HE       TRP  37  -3.037   0.276  -3.441
  255    HZ2  TRP  37           HZ1      TRP  37   1.439   2.215  -2.487
  256    HZ3  TRP  37           HZ2      TRP  37  -1.367  -1.028  -2.071
  257    HH2  TRP  37           HH       TRP  37   0.872  -0.051  -1.616
  258    H    VAL  38           HN       VAL  38  -1.402   1.928  -6.832
  259    HA   VAL  38           HA       VAL  38  -1.432  -1.015  -7.219
  260    HB   VAL  38           HB       VAL  38  -0.449   1.136  -9.154
  261   1HG1  VAL  38          3HG1      VAL  38   0.150  -1.845  -9.174
  262   2HG1  VAL  38          1HG1      VAL  38   0.397  -0.746 -10.550
  263   3HG1  VAL  38          2HG1      VAL  38   1.325  -0.507  -9.070
  264   1HG2  VAL  38          3HG2      VAL  38  -2.391  -1.197  -9.471
  265   2HG2  VAL  38          1HG2      VAL  38  -2.811   0.529  -9.471
  266   3HG2  VAL  38          2HG2      VAL  38  -1.848  -0.137 -10.788
  267    H    CYS  39           HN       CYN  39   0.576  -1.986  -6.748
  268    HA   CYS  39           HA       CYN  39   2.132  -0.588  -4.797
  269   1HB   CYS  39          2HB       CYN  39   1.651  -2.864  -4.555
  270   2HB   CYS  39          3HB       CYN  39   2.390  -3.287  -6.104
  271    HA   PRO  40           HA       PRO  40   4.996   1.211  -7.780
  272   1HB   PRO  40          2HB       PRO  40   6.920   2.196  -6.031
  273   2HB   PRO  40          3HB       PRO  40   5.337   2.934  -6.334
  274   1HG   PRO  40          2HG       PRO  40   6.123   1.047  -4.108
  275   2HG   PRO  40          3HG       PRO  40   5.251   2.602  -3.949
  276   1HD   PRO  40          2HD       PRO  40   3.999   0.203  -3.958
  277   2HD   PRO  40          3HD       PRO  40   3.250   1.614  -4.775
  278    H    LEU  41           HN       LEU  41   6.748   0.488  -8.900
  279    HA   LEU  41           HA       LEU  41   8.329  -0.943  -9.664
  280   1HB   LEU  41          2HB       LEU  41   9.239  -1.152  -6.767
  281   2HB   LEU  41          3HB       LEU  41  10.194  -1.492  -8.208
  282    HG   LEU  41           HG       LEU  41   9.119   1.250  -7.402
  283   1HD1  LEU  41          2HD1      LEU  41  10.939   0.408  -5.960
  284   2HD1  LEU  41          3HD1      LEU  41  11.945   0.111  -7.394
  285   3HD1  LEU  41          1HD1      LEU  41  11.477   1.769  -6.959
  286   1HD2  LEU  41          2HD2      LEU  41  10.893   0.394  -9.738
  287   2HD2  LEU  41          3HD2      LEU  41   9.271   1.115  -9.852
  288   3HD2  LEU  41          1HD2      LEU  41  10.619   2.074  -9.234
  289    H    CYS  42           HN       CYN  42   5.767  -2.023  -8.926
  290    HA   CYS  42           HA       CYN  42   6.443  -4.916  -8.718
  291   1HB   CYS  42          2HB       CYN  42   6.028  -3.924  -6.489
  292   2HB   CYS  42          3HB       CYN  42   4.453  -3.374  -7.063
  293    H    GLY  43           HN       GLY  43   3.667  -2.566  -8.904
  294   1HA   GLY  43          2HA       GLY  43   2.148  -2.299 -10.628
  295   2HA   GLY  43          3HA       GLY  43   3.033  -3.456 -11.613
  296    H    VAL  44           HN       VAL  44   1.986  -4.308  -8.350
  297    HA   VAL  44           HA       VAL  44  -0.139  -6.087  -9.461
  298    HB   VAL  44           HB       VAL  44   1.683  -6.447  -7.055
  299   1HG1  VAL  44          1HG1      VAL  44  -0.572  -8.231  -8.063
  300   2HG1  VAL  44          2HG1      VAL  44   0.650  -8.696  -6.863
  301   3HG1  VAL  44          3HG1      VAL  44  -0.479  -7.401  -6.486
  302   1HG2  VAL  44          1HG2      VAL  44   1.453  -7.774  -9.800
  303   2HG2  VAL  44          2HG2      VAL  44   2.860  -6.928  -9.120
  304   3HG2  VAL  44          3HG2      VAL  44   2.361  -8.489  -8.468
  305    H    GLY  45           HN       GLY  45  -1.970  -6.427  -8.116
  306   1HA   GLY  45          2HA       GLY  45  -3.198  -3.947  -7.403
  307   2HA   GLY  45          3HA       GLY  45  -3.887  -5.573  -7.248
  308    H    LYS  46           HN       LYS  46  -4.135  -3.391  -5.378
  309    HA   LYS  46           HA       LYS  46  -2.343  -3.659  -3.200
  310   1HB   LYS  46          2HB       LYS  46  -3.934  -2.286  -1.993
  311   2HB   LYS  46          3HB       LYS  46  -3.602  -1.700  -3.624
  312   1HG   LYS  46          2HG       LYS  46  -5.723  -2.217  -4.470
  313   2HG   LYS  46          3HG       LYS  46  -6.125  -3.295  -3.128
  314   1HD   LYS  46          2HD       LYS  46  -5.918  -0.298  -2.940
  315   2HD   LYS  46          3HD       LYS  46  -7.378  -1.307  -3.001
  316   1HE   LYS  46          2HE       LYS  46  -6.161  -2.558  -0.960
  317   2HE   LYS  46          3HE       LYS  46  -5.435  -0.985  -0.738
  318   1HZ   LYS  46          2HNZ      LYS  46  -7.868  -0.161  -0.869
  319   2HZ   LYS  46          3HNZ      LYS  46  -8.272  -1.754  -0.663
  320   3HZ   LYS  46          1HNZ      LYS  46  -7.381  -0.946   0.490
  321    H    ASP  47           HN       ASP  47  -5.486  -5.205  -3.821
  322    HA   ASP  47           HA       ASP  47  -5.716  -6.287  -1.150
  323   1HB   ASP  47          2HB       ASP  47  -7.390  -6.297  -3.642
  324   2HB   ASP  47          3HB       ASP  47  -7.647  -7.567  -2.445
  325    H    GLN  48           HN       GLN  48  -3.769  -7.172  -1.062
  326    HA   GLN  48           HA       GLN  48  -3.354  -9.976  -1.419
  327   1HB   GLN  48          2HB       GLN  48  -2.610  -8.204  -3.663
  328   2HB   GLN  48          3HB       GLN  48  -1.200  -9.038  -3.019
  329   1HG   GLN  48          2HG       GLN  48  -2.154 -11.196  -3.330
  330   2HG   GLN  48          3HG       GLN  48  -3.763 -10.543  -3.662
  331   1HE2  GLN  48          2HNE      GLN  48  -2.258 -11.546  -6.909
  332   2HE2  GLN  48          1HNE      GLN  48  -2.609 -12.385  -5.405
  333    H    PHE  49           HN       PHE  49  -2.148  -6.697  -0.800
  334    HA   PHE  49           HA       PHE  49   0.148  -7.335   0.694
  335   1HB   PHE  49          2HB       PHE  49  -1.895  -5.116   0.707
  336   2HB   PHE  49          3HB       PHE  49  -0.740  -5.069   1.922
  337    HD1  PHE  49           HD2      PHE  49  -0.688  -5.482  -1.834
  338    HD2  PHE  49           HD1      PHE  49   1.260  -3.997   1.731
  339    HE1  PHE  49           HE2      PHE  49   1.179  -4.625  -3.190
  340    HE2  PHE  49           HE1      PHE  49   3.049  -3.038   0.341
  341    HZ   PHE  49           HZ       PHE  49   3.043  -3.381  -2.091
  342    H    GLU  50           HN       GLU  50   0.479  -7.738   2.867
  343    HA   GLU  50           HA       GLU  50  -1.848  -8.879   4.410
  344   1HB   GLU  50          2HB       GLU  50   1.073  -9.714   4.157
  345   2HB   GLU  50          3HB       GLU  50   0.110 -10.131   5.558
  346   1HG   GLU  50          2HG       GLU  50  -1.624 -11.118   3.915
  347   2HG   GLU  50          3HG       GLU  50  -0.401 -10.917   2.649
  348    H    GLU  51           HN       GLU  51  -1.895  -8.406   6.715
  349    HA   GLU  51           HA       GLU  51  -1.024  -5.752   7.297
  350   1HB   GLU  51          2HB       GLU  51  -3.125  -6.625   8.093
  351   2HB   GLU  51          3HB       GLU  51  -2.338  -8.001   8.879
  352   1HG   GLU  51          2HG       GLU  51  -1.344  -6.744  10.470
  353   2HG   GLU  51          3HG       GLU  51  -1.595  -5.176   9.681
  354    H    VAL  52           HN       VAL  52   0.695  -5.023   8.534
  355    HA   VAL  52           HA       VAL  52   2.738  -7.001   9.303
  356    HB   VAL  52           HB       VAL  52   2.732  -4.126   8.381
  357   1HG1  VAL  52          2HG1      VAL  52   4.857  -5.355  10.206
  358   2HG1  VAL  52          3HG1      VAL  52   5.070  -3.880   9.232
  359   3HG1  VAL  52          1HG1      VAL  52   3.878  -3.908  10.537
  360   1HG2  VAL  52          3HG2      VAL  52   3.236  -6.136   6.963
  361   2HG2  VAL  52          1HG2      VAL  52   4.499  -4.882   7.009
  362   3HG2  VAL  52          2HG2      VAL  52   4.694  -6.390   7.933
  363    H    GLU  53           HN       GLU  53   2.349  -7.743  11.233
  364    HA   GLU  53           HA       GLU  53   1.019  -6.393  13.317
  365   1HB   GLU  53          2HB       GLU  53   1.660  -8.374  14.592
  366   2HB   GLU  53          3HB       GLU  53   0.994  -8.794  13.014
  367   1HG   GLU  53          2HG       GLU  53   3.470  -9.010  12.230
  368   2HG   GLU  53          3HG       GLU  53   3.861  -8.904  13.938
  369    H    GLU  54           HN       GLU  54   2.156  -4.450  13.268
  370    HA   GLU  54           HA       GLU  54   4.786  -3.985  14.279
  371   1HB   GLU  54          2HB       GLU  54   2.360  -2.260  14.915
  372   2HB   GLU  54          3HB       GLU  54   4.064  -1.795  14.866
  373   1HG   GLU  54          2HG       GLU  54   4.005  -2.496  12.370
  374   2HG   GLU  54          3HG       GLU  54   2.234  -2.479  12.528
   
  No H/Q in entry =         374
  Start of MODEL   17
    1   1H    MET   1          1HN       MET   1  -5.279  -1.169   9.938
    2   2H    MET   1          2HN       MET   1  -6.200   0.227   9.691
    3   3H    MET   1          3HN       MET   1  -5.036  -0.182   8.677
    4    HA   MET   1           HA       MET   1  -4.538   0.609  11.462
    5   1HB   MET   1          2HB       MET   1  -2.916   2.257  10.235
    6   2HB   MET   1          3HB       MET   1  -3.785   1.808   8.782
    7   1HG   MET   1          2HG       MET   1  -5.860   2.550   9.908
    8   2HG   MET   1          3HG       MET   1  -4.943   3.073  11.311
    9   1HE   MET   1          2HE       MET   1  -3.482   5.195  11.477
   10   2HE   MET   1          3HE       MET   1  -2.383   4.554  10.233
   11   3HE   MET   1          1HE       MET   1  -3.021   6.203  10.093
   12    H    LYS   2           HN       LYS   2  -2.060   0.919  11.514
   13    HA   LYS   2           HA       LYS   2   0.061   0.096  11.555
   14   1HB   LYS   2          2HB       LYS   2  -1.086  -2.619  10.995
   15   2HB   LYS   2          3HB       LYS   2   0.386  -2.213  11.897
   16   1HG   LYS   2          2HG       LYS   2  -1.075  -1.179  13.677
   17   2HG   LYS   2          3HG       LYS   2  -2.496  -1.800  12.767
   18   1HD   LYS   2          2HD       LYS   2  -1.061  -4.015  12.701
   19   2HD   LYS   2          3HD       LYS   2  -0.275  -3.336  14.122
   20   1HE   LYS   2          2HE       LYS   2  -3.305  -3.747  13.730
   21   2HE   LYS   2          3HE       LYS   2  -2.264  -4.963  14.461
   22   1HZ   LYS   2          3HNZ      LYS   2  -2.635  -2.235  15.510
   23   2HZ   LYS   2          1HNZ      LYS   2  -3.335  -3.599  16.124
   24   3HZ   LYS   2          2HNZ      LYS   2  -1.696  -3.406  16.184
   25    H    LYS   3           HN       LYS   3   1.634  -1.465  10.342
   26    HA   LYS   3           HA       LYS   3   1.639  -0.504   7.591
   27   1HB   LYS   3          2HB       LYS   3   3.519  -2.251   9.180
   28   2HB   LYS   3          3HB       LYS   3   3.855  -1.557   7.583
   29   1HG   LYS   3          2HG       LYS   3   3.488   0.715   8.468
   30   2HG   LYS   3          3HG       LYS   3   3.152   0.090  10.063
   31   1HD   LYS   3          2HD       LYS   3   5.436  -1.187   9.877
   32   2HD   LYS   3          3HD       LYS   3   5.842   0.047   8.678
   33   1HE   LYS   3          2HE       LYS   3   5.536   1.814  10.362
   34   2HE   LYS   3          3HE       LYS   3   4.787   0.671  11.496
   35   1HZ   LYS   3          2HNZ      LYS   3   6.901  -0.528  11.582
   36   2HZ   LYS   3          3HNZ      LYS   3   7.610   0.608  10.690
   37   3HZ   LYS   3          1HNZ      LYS   3   6.993   0.998  12.171
   38    H    TYR   4           HN       TYR   4   2.270  -2.089   5.874
   39    HA   TYR   4           HA       TYR   4   0.991  -4.743   6.209
   40   1HB   TYR   4          2HB       TYR   4   0.175  -2.867   3.953
   41   2HB   TYR   4          3HB       TYR   4  -0.175  -4.561   4.024
   42    HD1  TYR   4           HD1      TYR   4  -0.800  -1.370   5.912
   43    HD2  TYR   4           HD2      TYR   4  -2.088  -5.320   4.973
   44    HE1  TYR   4           HE1      TYR   4  -2.888  -0.968   7.183
   45    HE2  TYR   4           HE2      TYR   4  -4.012  -5.071   6.602
   46    HH   TYR   4           HOH      TYR   4  -5.143  -1.676   7.128
   47    H    THR   5           HN       THR   5   1.857  -6.364   4.985
   48    HA   THR   5           HA       THR   5   4.346  -5.809   3.517
   49    HB   THR   5           HB       THR   5   2.840  -8.398   4.058
   50    HG1  THR   5           HG1      THR   5   5.150  -7.232   5.228
   51   1HG2  THR   5          1HG2      THR   5   5.609  -7.930   2.864
   52   2HG2  THR   5          2HG2      THR   5   5.035  -9.477   3.526
   53   3HG2  THR   5          3HG2      THR   5   4.228  -8.778   2.124
   54    H    CYS   6           HN       CYN   6   4.642  -6.040   1.353
   55    HA   CYS   6           HA       CYN   6   2.363  -5.681  -0.438
   56   1HB   CYS   6          2HB       CYN   6   4.537  -4.445  -0.551
   57   2HB   CYS   6          3HB       CYN   6   5.323  -5.980  -0.985
   58    H    THR   7           HN       THR   7   1.572  -7.311  -1.796
   59    HA   THR   7           HA       THR   7   1.443  -9.796  -0.933
   60    HB   THR   7           HB       THR   7   1.278  -9.004  -3.871
   61    HG1  THR   7           HG1      THR   7  -0.844  -8.354  -3.190
   62   1HG2  THR   7          2HG2      THR   7   0.887 -11.430  -3.371
   63   2HG2  THR   7          3HG2      THR   7  -0.359 -10.961  -2.190
   64   3HG2  THR   7          1HG2      THR   7  -0.579 -10.610  -3.914
   65    H    VAL   8           HN       VAL   8   3.651  -8.956  -3.704
   66    HA   VAL   8           HA       VAL   8   5.394 -11.195  -2.970
   67    HB   VAL   8           HB       VAL   8   3.507 -12.276  -4.120
   68   1HG1  VAL   8          2HG1      VAL   8   2.814 -10.482  -5.653
   69   2HG1  VAL   8          3HG1      VAL   8   4.298 -10.706  -6.602
   70   3HG1  VAL   8          1HG1      VAL   8   3.100 -12.010  -6.500
   71   1HG2  VAL   8          2HG2      VAL   8   5.812 -13.225  -4.227
   72   2HG2  VAL   8          3HG2      VAL   8   4.711 -13.723  -5.522
   73   3HG2  VAL   8          1HG2      VAL   8   5.972 -12.536  -5.857
   74    H    CYS   9           HN       CYN   9   5.697  -8.381  -3.070
   75    HA   CYS   9           HA       CYN   9   7.765  -8.127  -5.226
   76   1HB   CYS   9          2HB       CYN   9   6.419  -5.786  -3.953
   77   2HB   CYS   9          3HB       CYN   9   7.221  -5.939  -5.520
   78    H    GLY  10           HN       GLY  10   6.915  -6.556  -2.127
   79   1HA   GLY  10          2HA       GLY  10   8.246  -7.052  -0.116
   80   2HA   GLY  10          3HA       GLY  10   9.707  -7.026  -1.106
   81    H    TYR  11           HN       TYR  11   6.856  -4.839  -0.672
   82    HA   TYR  11           HA       TYR  11   8.670  -2.597   0.060
   83   1HB   TYR  11          2HB       TYR  11   8.112  -2.641  -2.404
   84   2HB   TYR  11          3HB       TYR  11   6.420  -2.452  -1.988
   85    HD1  TYR  11           HD2      TYR  11   9.721  -0.844  -2.188
   86    HD2  TYR  11           HD1      TYR  11   5.595  -0.271  -1.069
   87    HE1  TYR  11           HE2      TYR  11  10.076   1.610  -2.111
   88    HE2  TYR  11           HE1      TYR  11   5.955   2.170  -0.976
   89    HH   TYR  11           HOH      TYR  11   7.444   3.886  -1.285
   90    H    ILE  12           HN       ILE  12   7.957  -2.865   2.263
   91    HA   ILE  12           HA       ILE  12   5.272  -3.260   2.974
   92    HB   ILE  12           HB       ILE  12   7.694  -2.270   4.462
   93   1HG1  ILE  12          2HG1      ILE  12   5.750  -4.585   4.898
   94   2HG1  ILE  12          3HG1      ILE  12   7.176  -4.694   3.861
   95   1HG2  ILE  12          1HG2      ILE  12   4.874  -2.311   5.622
   96   2HG2  ILE  12          2HG2      ILE  12   6.355  -2.189   6.587
   97   3HG2  ILE  12          3HG2      ILE  12   5.933  -0.888   5.501
   98   1HD1  ILE  12          1HD1      ILE  12   8.633  -4.211   5.813
   99   2HD1  ILE  12          2HD1      ILE  12   7.199  -4.221   6.870
  100   3HD1  ILE  12          3HD1      ILE  12   7.663  -5.687   6.000
  101    H    TYR  13           HN       TYR  13   3.532  -2.049   3.114
  102    HA   TYR  13           HA       TYR  13   3.601   0.816   2.376
  103   1HB   TYR  13          2HB       TYR  13   1.877  -0.613   1.419
  104   2HB   TYR  13          3HB       TYR  13   1.381  -1.146   3.028
  105    HD1  TYR  13           HD1      TYR  13   0.169   0.394   4.567
  106    HD2  TYR  13           HD2      TYR  13   0.754   1.257   0.437
  107    HE1  TYR  13           HE1      TYR  13  -1.423   2.279   4.702
  108    HE2  TYR  13           HE2      TYR  13  -0.314   3.513   0.743
  109    HH   TYR  13           HOH      TYR  13  -2.258   4.250   3.684
  110    H    ASN  14           HN       ASN  14   3.331   2.448   3.886
  111    HA   ASN  14           HA       ASN  14   2.764   1.710   6.719
  112   1HB   ASN  14          2HB       ASN  14   5.171   2.351   6.348
  113   2HB   ASN  14          3HB       ASN  14   4.618   3.915   5.760
  114   1HD2  ASN  14          2HND      ASN  14   5.401   4.464   9.292
  115   2HD2  ASN  14          1HND      ASN  14   6.001   4.621   7.643
  116    HA   PRO  15           HA       PRO  15  -0.575   4.338   5.456
  117   1HB   PRO  15          2HB       PRO  15  -2.064   4.280   7.857
  118   2HB   PRO  15          3HB       PRO  15  -2.172   3.075   6.573
  119   1HG   PRO  15          2HG       PRO  15  -0.780   2.860   9.175
  120   2HG   PRO  15          3HG       PRO  15  -1.477   1.628   8.079
  121   1HD   PRO  15          2HD       PRO  15   1.260   2.276   8.420
  122   2HD   PRO  15          3HD       PRO  15   0.659   1.264   7.136
  123    H    GLU  16           HN       GLU  16   1.175   4.824   8.515
  124    HA   GLU  16           HA       GLU  16   0.233   7.449   9.004
  125   1HB   GLU  16          2HB       GLU  16   2.881   6.119   9.686
  126   2HB   GLU  16          3HB       GLU  16   2.253   7.620  10.350
  127   1HG   GLU  16          2HG       GLU  16   0.113   6.160  10.947
  128   2HG   GLU  16          3HG       GLU  16   1.205   4.782  10.723
  129    H    ASP  17           HN       ASP  17   2.576   6.165   6.760
  130    HA   ASP  17           HA       ASP  17   3.650   8.855   6.025
  131   1HB   ASP  17          2HB       ASP  17   4.263   6.028   5.126
  132   2HB   ASP  17          3HB       ASP  17   4.994   7.464   4.406
  133    H    GLY  18           HN       GLY  18   1.455   6.282   4.927
  134   1HA   GLY  18          2HA       GLY  18   0.084   6.097   3.197
  135   2HA   GLY  18          3HA       GLY  18   0.202   7.840   2.877
  136    H    ASP  19           HN       ASP  19   0.325   7.434   0.635
  137    HA   ASP  19           HA       ASP  19   3.040   7.066  -0.373
  138   1HB   ASP  19          2HB       ASP  19   0.926   5.038  -0.814
  139   2HB   ASP  19          3HB       ASP  19   1.537   5.671  -2.327
  140    HA   PRO  20           HA       PRO  20   0.043  10.459  -1.571
  141   1HB   PRO  20          2HB       PRO  20   1.708  12.641  -1.179
  142   2HB   PRO  20          3HB       PRO  20   0.643  11.910   0.061
  143   1HG   PRO  20          2HG       PRO  20   3.595  11.423  -0.388
  144   2HG   PRO  20          3HG       PRO  20   2.750  11.698   1.164
  145   1HD   PRO  20          2HD       PRO  20   3.406   9.207   0.349
  146   2HD   PRO  20          3HD       PRO  20   1.835   9.509   1.142
  147    H    ASP  21           HN       ASP  21   3.498  10.055  -2.516
  148    HA   ASP  21           HA       ASP  21   3.526  11.565  -4.828
  149   1HB   ASP  21          2HB       ASP  21   4.895   8.908  -4.174
  150   2HB   ASP  21          3HB       ASP  21   5.425  10.089  -5.377
  151    H    ASN  22           HN       ASN  22   2.101   8.452  -4.133
  152    HA   ASN  22           HA       ASN  22   1.540   7.808  -6.969
  153   1HB   ASN  22          2HB       ASN  22   0.880   6.216  -4.460
  154   2HB   ASN  22          3HB       ASN  22   0.872   5.641  -6.117
  155   1HD2  ASN  22          2HND      ASN  22   4.353   5.793  -3.963
  156   2HD2  ASN  22          1HND      ASN  22   2.981   6.726  -3.460
  157    H    GLY  23           HN       GLY  23   0.083   8.958  -4.066
  158   1HA   GLY  23          2HA       GLY  23  -1.762  10.518  -4.705
  159   2HA   GLY  23          3HA       GLY  23  -2.608   9.117  -5.380
  160    H    VAL  24           HN       VAL  24  -0.974   8.025  -2.657
  161    HA   VAL  24           HA       VAL  24  -3.550   7.930  -1.180
  162    HB   VAL  24           HB       VAL  24  -0.962   6.378  -1.005
  163   1HG1  VAL  24          2HG1      VAL  24  -3.532   6.090   0.580
  164   2HG1  VAL  24          3HG1      VAL  24  -2.263   4.853   0.493
  165   3HG1  VAL  24          1HG1      VAL  24  -1.905   6.426   1.226
  166   1HG2  VAL  24          2HG2      VAL  24  -2.377   5.883  -2.999
  167   2HG2  VAL  24          3HG2      VAL  24  -2.322   4.517  -1.870
  168   3HG2  VAL  24          1HG2      VAL  24  -3.756   5.567  -1.929
  169    H    ASN  25           HN       ASN  25  -3.830   9.526   0.275
  170    HA   ASN  25           HA       ASN  25  -1.689  11.208   1.163
  171   1HB   ASN  25          2HB       ASN  25  -4.611  10.846   1.921
  172   2HB   ASN  25          3HB       ASN  25  -3.569  11.857   2.912
  173   1HD2  ASN  25          2HND      ASN  25  -4.196  13.118  -0.973
  174   2HD2  ASN  25          1HND      ASN  25  -4.113  11.399  -0.679
  175    HA   PRO  26           HA       PRO  26  -0.300   8.966   4.794
  176   1HB   PRO  26          2HB       PRO  26   0.039  11.033   6.634
  177   2HB   PRO  26          3HB       PRO  26   1.223  10.501   5.422
  178   1HG   PRO  26          2HG       PRO  26  -0.647  12.845   5.302
  179   2HG   PRO  26          3HG       PRO  26   1.031  12.683   4.679
  180   1HD   PRO  26          2HD       PRO  26  -1.224  12.538   3.086
  181   2HD   PRO  26          3HD       PRO  26   0.301  11.685   2.705
  182    H    GLY  27           HN       GLY  27  -1.133   8.180   6.641
  183   1HA   GLY  27          2HA       GLY  27  -2.666   7.633   8.236
  184   2HA   GLY  27          3HA       GLY  27  -3.541   9.150   7.954
  185    H    THR  28           HN       THR  28  -2.956   7.017   5.078
  186    HA   THR  28           HA       THR  28  -5.875   6.517   5.103
  187    HB   THR  28           HB       THR  28  -3.699   6.111   2.994
  188    HG1  THR  28           HG1      THR  28  -4.064   8.282   3.198
  189   1HG2  THR  28          1HG2      THR  28  -6.727   5.959   2.887
  190   2HG2  THR  28          2HG2      THR  28  -5.666   5.903   1.463
  191   3HG2  THR  28          3HG2      THR  28  -5.575   4.612   2.680
  192    H    ASP  29           HN       ASP  29  -6.549   4.633   5.879
  193    HA   ASP  29           HA       ASP  29  -4.725   2.514   6.597
  194   1HB   ASP  29          2HB       ASP  29  -7.077   3.045   7.508
  195   2HB   ASP  29          3HB       ASP  29  -7.692   2.226   6.103
  196    H    PHE  30           HN       PHE  30  -4.385   0.664   5.474
  197    HA   PHE  30           HA       PHE  30  -4.273   0.602   2.662
  198   1HB   PHE  30          2HB       PHE  30  -3.225  -0.830   4.540
  199   2HB   PHE  30          3HB       PHE  30  -4.606  -1.916   4.317
  200    HD1  PHE  30           HD1      PHE  30  -5.001  -2.624   1.762
  201    HD2  PHE  30           HD2      PHE  30  -1.309  -1.081   3.352
  202    HE1  PHE  30           HE1      PHE  30  -3.764  -3.457  -0.230
  203    HE2  PHE  30           HE2      PHE  30  -0.078  -2.067   1.433
  204    HZ   PHE  30           HZ       PHE  30  -1.322  -3.314  -0.267
  205    H    LYS  31           HN       LYS  31  -6.980  -0.199   4.821
  206    HA   LYS  31           HA       LYS  31  -8.432  -1.638   2.751
  207   1HB   LYS  31          2HB       LYS  31 -10.291  -1.682   4.181
  208   2HB   LYS  31          3HB       LYS  31  -8.829  -2.051   5.119
  209   1HG   LYS  31          2HG       LYS  31  -8.753   0.363   5.798
  210   2HG   LYS  31          3HG       LYS  31 -10.297   0.614   4.968
  211   1HD   LYS  31          2HD       LYS  31 -11.317  -1.133   6.359
  212   2HD   LYS  31          3HD       LYS  31  -9.805  -1.311   7.268
  213   1HE   LYS  31          2HE       LYS  31 -10.845   1.513   7.010
  214   2HE   LYS  31          3HE       LYS  31 -11.896   0.439   7.931
  215   1HZ   LYS  31          1HNZ      LYS  31  -9.025   0.859   8.506
  216   2HZ   LYS  31          2HNZ      LYS  31 -10.264   1.624   9.263
  217   3HZ   LYS  31          3HNZ      LYS  31 -10.087  -0.010   9.403
  218    H    ASP  32           HN       ASP  32  -8.112   1.721   3.754
  219    HA   ASP  32           HA       ASP  32 -10.447   2.670   2.310
  220   1HB   ASP  32          2HB       ASP  32  -8.147   4.208   3.579
  221   2HB   ASP  32          3HB       ASP  32  -9.708   4.860   3.076
  222    H    ILE  33           HN       ILE  33  -7.036   2.004   1.554
  223    HA   ILE  33           HA       ILE  33  -6.475   3.916  -0.313
  224    HB   ILE  33           HB       ILE  33  -5.800   1.022  -0.165
  225   1HG1  ILE  33          2HG1      ILE  33  -4.502   3.572   0.768
  226   2HG1  ILE  33          3HG1      ILE  33  -5.058   2.285   1.758
  227   1HG2  ILE  33          2HG2      ILE  33  -5.366   1.916  -2.441
  228   2HG2  ILE  33          3HG2      ILE  33  -4.274   3.099  -1.669
  229   3HG2  ILE  33          1HG2      ILE  33  -3.949   1.346  -1.572
  230   1HD1  ILE  33          2HD1      ILE  33  -3.306   0.775   0.553
  231   2HD1  ILE  33          3HD1      ILE  33  -2.592   2.323   0.019
  232   3HD1  ILE  33          1HD1      ILE  33  -2.761   1.952   1.746
  233    HA   PRO  34           HA       PRO  34  -9.561   2.848  -3.484
  234   1HB   PRO  34          2HB       PRO  34  -7.793   3.882  -5.569
  235   2HB   PRO  34          3HB       PRO  34  -9.320   4.573  -4.977
  236   1HG   PRO  34          2HG       PRO  34  -6.708   5.604  -4.568
  237   2HG   PRO  34          3HG       PRO  34  -8.159   6.052  -3.627
  238   1HD   PRO  34          2HD       PRO  34  -5.929   4.199  -2.849
  239   2HD   PRO  34          3HD       PRO  34  -7.018   5.162  -1.841
  240    H    ASP  35           HN       ASP  35  -9.765   0.888  -4.692
  241    HA   ASP  35           HA       ASP  35  -7.439  -0.793  -4.764
  242   1HB   ASP  35          2HB       ASP  35 -10.393  -1.043  -5.089
  243   2HB   ASP  35          3HB       ASP  35  -9.420  -2.125  -6.049
  244    H    ASP  36           HN       ASP  36  -8.333   1.638  -6.879
  245    HA   ASP  36           HA       ASP  36  -7.097   0.450  -9.223
  246   1HB   ASP  36          2HB       ASP  36  -7.230   2.746 -10.077
  247   2HB   ASP  36          3HB       ASP  36  -8.797   2.188  -9.480
  248    H    TRP  37           HN       TRP  37  -5.901   1.609  -6.198
  249    HA   TRP  37           HA       TRP  37  -3.532   2.887  -7.148
  250   1HB   TRP  37          2HB       TRP  37  -4.369   3.249  -4.901
  251   2HB   TRP  37          3HB       TRP  37  -4.217   1.536  -4.544
  252    HD1  TRP  37           HD       TRP  37  -1.948   4.616  -4.968
  253    HE1  TRP  37           HNE      TRP  37   0.240   4.145  -3.709
  254    HE3  TRP  37           HE       TRP  37  -2.662  -0.306  -4.030
  255    HZ2  TRP  37           HZ1      TRP  37   1.500   1.886  -2.380
  256    HZ3  TRP  37           HZ2      TRP  37  -0.952  -1.638  -2.753
  257    HH2  TRP  37           HH       TRP  37   1.103  -0.529  -1.906
  258    H    VAL  38           HN       VAL  38  -1.456   2.157  -7.165
  259    HA   VAL  38           HA       VAL  38  -0.942  -0.759  -7.657
  260    HB   VAL  38           HB       VAL  38   0.015   1.656  -9.244
  261   1HG1  VAL  38          1HG1      VAL  38   1.703  -0.218  -9.204
  262   2HG1  VAL  38          2HG1      VAL  38   0.445  -1.287  -9.871
  263   3HG1  VAL  38          3HG1      VAL  38   1.020   0.100 -10.802
  264   1HG2  VAL  38          2HG2      VAL  38  -1.991  -0.550  -9.899
  265   2HG2  VAL  38          3HG2      VAL  38  -2.321   1.190  -9.770
  266   3HG2  VAL  38          1HG2      VAL  38  -1.329   0.583 -11.096
  267    H    CYS  39           HN       CYN  39   1.249  -1.516  -6.931
  268    HA   CYS  39           HA       CYN  39   2.402   0.353  -4.983
  269   1HB   CYS  39          2HB       CYN  39   3.891  -1.535  -4.393
  270   2HB   CYS  39          3HB       CYN  39   2.177  -1.653  -4.015
  271    HA   PRO  40           HA       PRO  40   5.272   1.691  -8.069
  272   1HB   PRO  40          2HB       PRO  40   6.902   3.343  -6.628
  273   2HB   PRO  40          3HB       PRO  40   5.184   3.699  -6.932
  274   1HG   PRO  40          2HG       PRO  40   6.402   2.392  -4.474
  275   2HG   PRO  40          3HG       PRO  40   5.286   3.786  -4.519
  276   1HD   PRO  40          2HD       PRO  40   4.404   1.240  -4.094
  277   2HD   PRO  40          3HD       PRO  40   3.449   2.409  -5.062
  278    H    LEU  41           HN       LEU  41   7.165   0.977  -8.959
  279    HA   LEU  41           HA       LEU  41   8.968  -0.273  -9.328
  280   1HB   LEU  41          2HB       LEU  41   9.925   1.439  -7.779
  281   2HB   LEU  41          3HB       LEU  41   9.735   0.307  -6.438
  282    HG   LEU  41           HG       LEU  41  11.409  -1.199  -7.409
  283   1HD1  LEU  41          3HD1      LEU  41  11.506   0.783  -9.725
  284   2HD1  LEU  41          1HD1      LEU  41  12.711  -0.485  -9.420
  285   3HD1  LEU  41          2HD1      LEU  41  11.052  -0.938  -9.810
  286   1HD2  LEU  41          2HD2      LEU  41  12.128   0.672  -5.984
  287   2HD2  LEU  41          3HD2      LEU  41  13.352   0.244  -7.191
  288   3HD2  LEU  41          1HD2      LEU  41  12.345   1.689  -7.425
  289    H    CYS  42           HN       CYN  42   6.543  -1.538  -8.458
  290    HA   CYS  42           HA       CYN  42   7.577  -4.174  -7.480
  291   1HB   CYS  42          2HB       CYN  42   5.075  -2.596  -6.954
  292   2HB   CYS  42          3HB       CYN  42   5.150  -4.350  -6.755
  293    H    GLY  43           HN       GLY  43   4.291  -3.674  -8.560
  294   1HA   GLY  43          2HA       GLY  43   3.996  -4.370 -11.156
  295   2HA   GLY  43          3HA       GLY  43   4.694  -5.846 -10.454
  296    H    VAL  44           HN       VAL  44   1.813  -4.214 -10.966
  297    HA   VAL  44           HA       VAL  44  -0.303  -4.607 -10.452
  298    HB   VAL  44           HB       VAL  44   0.673  -7.092  -9.891
  299   1HG1  VAL  44          2HG1      VAL  44   0.718  -6.497  -7.337
  300   2HG1  VAL  44          3HG1      VAL  44  -1.045  -6.632  -7.442
  301   3HG1  VAL  44          1HG1      VAL  44  -0.036  -7.999  -7.884
  302   1HG2  VAL  44          2HG2      VAL  44  -1.342  -6.608 -11.119
  303   2HG2  VAL  44          3HG2      VAL  44  -1.659  -7.819  -9.868
  304   3HG2  VAL  44          1HG2      VAL  44  -2.192  -6.144  -9.630
  305    H    GLY  45           HN       GLY  45  -1.648  -4.826  -8.022
  306   1HA   GLY  45          2HA       GLY  45  -0.509  -2.610  -6.361
  307   2HA   GLY  45          3HA       GLY  45  -2.162  -2.564  -7.014
  308    H    LYS  46           HN       LYS  46  -3.572  -3.108  -5.519
  309    HA   LYS  46           HA       LYS  46  -2.778  -4.679  -3.156
  310   1HB   LYS  46          2HB       LYS  46  -5.545  -3.721  -3.821
  311   2HB   LYS  46          3HB       LYS  46  -4.802  -4.008  -2.226
  312   1HG   LYS  46          2HG       LYS  46  -3.520  -1.906  -2.481
  313   2HG   LYS  46          3HG       LYS  46  -4.190  -1.745  -4.135
  314   1HD   LYS  46          2HD       LYS  46  -5.567  -0.339  -2.907
  315   2HD   LYS  46          3HD       LYS  46  -6.467  -1.822  -3.218
  316   1HE   LYS  46          2HE       LYS  46  -5.831  -2.611  -0.878
  317   2HE   LYS  46          3HE       LYS  46  -5.226  -0.996  -0.599
  318   1HZ   LYS  46          2HNZ      LYS  46  -7.487  -0.150  -1.150
  319   2HZ   LYS  46          3HNZ      LYS  46  -8.015  -1.640  -1.434
  320   3HZ   LYS  46          1HNZ      LYS  46  -7.523  -1.181   0.117
  321    H    ASP  47           HN       ASP  47  -4.275  -6.457  -2.467
  322    HA   ASP  47           HA       ASP  47  -6.086  -7.686  -4.342
  323   1HB   ASP  47          2HB       ASP  47  -4.850  -9.946  -4.238
  324   2HB   ASP  47          3HB       ASP  47  -4.269  -8.725  -5.371
  325    H    GLN  48           HN       GLN  48  -4.123  -9.072  -1.760
  326    HA   GLN  48           HA       GLN  48  -6.481  -9.273   0.042
  327   1HB   GLN  48          2HB       GLN  48  -5.089 -11.344  -1.197
  328   2HB   GLN  48          3HB       GLN  48  -4.207 -11.184   0.320
  329   1HG   GLN  48          2HG       GLN  48  -5.874 -12.757   0.784
  330   2HG   GLN  48          3HG       GLN  48  -6.535 -11.274   1.479
  331   1HE2  GLN  48          2HNE      GLN  48  -9.338 -11.289  -0.754
  332   2HE2  GLN  48          1HNE      GLN  48  -8.523 -10.457   0.558
  333    H    PHE  49           HN       PHE  49  -2.979  -8.798  -0.255
  334    HA   PHE  49           HA       PHE  49  -1.352  -8.051   1.048
  335   1HB   PHE  49          2HB       PHE  49  -1.771  -5.991   2.444
  336   2HB   PHE  49          3HB       PHE  49  -2.257  -5.909   0.776
  337    HD1  PHE  49           HD2      PHE  49  -3.688  -6.580   4.198
  338    HD2  PHE  49           HD1      PHE  49  -4.588  -5.657   0.122
  339    HE1  PHE  49           HE2      PHE  49  -5.880  -5.697   4.907
  340    HE2  PHE  49           HE1      PHE  49  -6.852  -4.904   0.798
  341    HZ   PHE  49           HZ       PHE  49  -7.471  -4.836   3.207
  342    H    GLU  50           HN       GLU  50  -0.542  -7.602   3.431
  343    HA   GLU  50           HA       GLU  50  -1.956  -9.290   5.418
  344   1HB   GLU  50          2HB       GLU  50   1.019  -9.484   4.739
  345   2HB   GLU  50          3HB       GLU  50   0.235 -10.212   6.133
  346   1HG   GLU  50          2HG       GLU  50  -1.244 -11.505   4.510
  347   2HG   GLU  50          3HG       GLU  50  -0.223 -10.895   3.196
  348    H    GLU  51           HN       GLU  51  -1.808  -8.322   7.491
  349    HA   GLU  51           HA       GLU  51  -0.827  -5.589   7.595
  350   1HB   GLU  51          2HB       GLU  51  -2.970  -6.161   8.638
  351   2HB   GLU  51          3HB       GLU  51  -2.208  -7.480   9.562
  352   1HG   GLU  51          2HG       GLU  51  -0.914  -6.013  10.784
  353   2HG   GLU  51          3HG       GLU  51  -1.407  -4.571   9.901
  354    H    VAL  52           HN       VAL  52   1.003  -4.950   8.678
  355    HA   VAL  52           HA       VAL  52   2.984  -6.989   9.547
  356    HB   VAL  52           HB       VAL  52   3.067  -4.184   8.390
  357   1HG1  VAL  52          3HG1      VAL  52   5.264  -5.568   9.973
  358   2HG1  VAL  52          1HG1      VAL  52   5.507  -4.157   8.910
  359   3HG1  VAL  52          2HG1      VAL  52   4.478  -4.009  10.339
  360   1HG2  VAL  52          3HG2      VAL  52   3.158  -6.198   6.954
  361   2HG2  VAL  52          1HG2      VAL  52   4.564  -5.112   6.842
  362   3HG2  VAL  52          2HG2      VAL  52   4.685  -6.646   7.745
  363    H    GLU  53           HN       GLU  53   2.689  -7.346  11.665
  364    HA   GLU  53           HA       GLU  53   1.436  -5.563  13.436
  365   1HB   GLU  53          2HB       GLU  53   2.038  -7.251  15.080
  366   2HB   GLU  53          3HB       GLU  53   1.180  -7.887  13.674
  367   1HG   GLU  53          2HG       GLU  53   3.389  -8.785  12.799
  368   2HG   GLU  53          3HG       GLU  53   4.158  -8.194  14.276
  369    H    GLU  54           HN       GLU  54   3.220  -3.996  12.546
  370    HA   GLU  54           HA       GLU  54   4.839  -3.260  14.927
  371   1HB   GLU  54          2HB       GLU  54   5.104  -2.075  12.135
  372   2HB   GLU  54          3HB       GLU  54   6.068  -1.726  13.583
  373   1HG   GLU  54          2HG       GLU  54   6.670  -4.276  13.469
  374   2HG   GLU  54          3HG       GLU  54   6.140  -4.189  11.809
   
  No H/Q in entry =         374
  Start of MODEL   18
    1   1H    MET   1          1HN       MET   1  -5.981  -0.868   9.421
    2   2H    MET   1          2HN       MET   1  -6.840   0.572   9.200
    3   3H    MET   1          3HN       MET   1  -5.752   0.109   8.133
    4    HA   MET   1           HA       MET   1  -5.216   0.949  10.915
    5   1HB   MET   1          2HB       MET   1  -3.416   2.383   9.605
    6   2HB   MET   1          3HB       MET   1  -4.365   1.967   8.199
    7   1HG   MET   1          2HG       MET   1  -6.329   3.008   9.485
    8   2HG   MET   1          3HG       MET   1  -5.176   3.431  10.748
    9   1HE   MET   1          1HE       MET   1  -5.553   5.935  10.859
   10   2HE   MET   1          2HE       MET   1  -5.712   6.990   9.441
   11   3HE   MET   1          3HE       MET   1  -6.927   5.723   9.740
   12    H    LYS   2           HN       LYS   2  -2.610   1.153  10.919
   13    HA   LYS   2           HA       LYS   2  -0.677   0.163  11.227
   14   1HB   LYS   2          2HB       LYS   2  -1.948  -2.543  10.775
   15   2HB   LYS   2          3HB       LYS   2  -0.466  -2.135  11.659
   16   1HG   LYS   2          2HG       LYS   2  -2.100  -0.604  13.090
   17   2HG   LYS   2          3HG       LYS   2  -3.350  -1.700  12.427
   18   1HD   LYS   2          2HD       LYS   2  -1.727  -3.602  13.153
   19   2HD   LYS   2          3HD       LYS   2  -0.880  -2.334  14.073
   20   1HE   LYS   2          2HE       LYS   2  -3.193  -1.802  15.115
   21   2HE   LYS   2          3HE       LYS   2  -3.769  -3.291  14.330
   22   1HZ   LYS   2          1HNZ      LYS   2  -1.543  -3.137  16.266
   23   2HZ   LYS   2          2HNZ      LYS   2  -3.069  -3.665  16.617
   24   3HZ   LYS   2          3HNZ      LYS   2  -2.123  -4.509  15.559
   25    H    LYS   3           HN       LYS   3   1.067  -1.199  10.220
   26    HA   LYS   3           HA       LYS   3   1.205  -0.574   7.396
   27   1HB   LYS   3          2HB       LYS   3   3.073  -2.021   9.307
   28   2HB   LYS   3          3HB       LYS   3   3.457  -1.596   7.628
   29   1HG   LYS   3          2HG       LYS   3   3.048   0.786   8.140
   30   2HG   LYS   3          3HG       LYS   3   2.576   0.406   9.749
   31   1HD   LYS   3          2HD       LYS   3   4.745   1.230   9.904
   32   2HD   LYS   3          3HD       LYS   3   4.810  -0.502  10.272
   33   1HE   LYS   3          2HE       LYS   3   5.757  -0.987   8.078
   34   2HE   LYS   3          3HE       LYS   3   5.475   0.674   7.534
   35   1HZ   LYS   3          2HNZ      LYS   3   7.015   1.430   9.195
   36   2HZ   LYS   3          3HNZ      LYS   3   7.320  -0.116   9.676
   37   3HZ   LYS   3          1HNZ      LYS   3   7.744   0.378   8.158
   38    H    TYR   4           HN       TYR   4   1.851  -2.165   5.855
   39    HA   TYR   4           HA       TYR   4   0.758  -4.872   6.240
   40   1HB   TYR   4          2HB       TYR   4  -0.370  -2.806   4.345
   41   2HB   TYR   4          3HB       TYR   4  -0.332  -4.470   3.813
   42    HD1  TYR   4           HD1      TYR   4  -1.627  -2.355   6.641
   43    HD2  TYR   4           HD2      TYR   4  -2.028  -5.940   4.329
   44    HE1  TYR   4           HE1      TYR   4  -3.337  -3.156   8.190
   45    HE2  TYR   4           HE2      TYR   4  -3.932  -6.654   5.765
   46    HH   TYR   4           HOH      TYR   4  -4.540  -5.192   8.847
   47    H    THR   5           HN       THR   5   1.845  -6.444   5.058
   48    HA   THR   5           HA       THR   5   4.144  -5.679   3.444
   49    HB   THR   5           HB       THR   5   2.941  -8.443   3.810
   50    HG1  THR   5           HG1      THR   5   4.136  -8.528   5.712
   51   1HG2  THR   5          1HG2      THR   5   5.808  -7.452   3.404
   52   2HG2  THR   5          2HG2      THR   5   5.351  -9.126   3.789
   53   3HG2  THR   5          3HG2      THR   5   4.830  -8.414   2.271
   54    H    CYS   6           HN       CYN   6   4.472  -6.309   1.240
   55    HA   CYS   6           HA       CYN   6   2.066  -6.329  -0.518
   56   1HB   CYS   6          2HB       CYN   6   3.879  -4.602  -0.735
   57   2HB   CYS   6          3HB       CYN   6   4.983  -5.897  -1.211
   58    H    THR   7           HN       THR   7   5.054  -8.089   0.276
   59    HA   THR   7           HA       THR   7   5.508 -10.242   0.383
   60    HB   THR   7           HB       THR   7   2.572 -10.738  -0.270
   61    HG1  THR   7           HG1      THR   7   2.731 -11.046   2.115
   62   1HG2  THR   7          2HG2      THR   7   4.713 -12.550   0.929
   63   2HG2  THR   7          3HG2      THR   7   2.977 -12.905   0.838
   64   3HG2  THR   7          1HG2      THR   7   3.924 -12.774  -0.649
   65    H    VAL   8           HN       VAL   8   3.438  -9.926  -2.564
   66    HA   VAL   8           HA       VAL   8   5.293 -11.734  -4.018
   67    HB   VAL   8           HB       VAL   8   3.765 -11.389  -5.920
   68   1HG1  VAL   8          2HG1      VAL   8   3.430 -13.225  -4.304
   69   2HG1  VAL   8          3HG1      VAL   8   2.362 -12.185  -3.336
   70   3HG1  VAL   8          1HG1      VAL   8   1.898 -12.650  -4.983
   71   1HG2  VAL   8          2HG2      VAL   8   2.919  -9.081  -5.356
   72   2HG2  VAL   8          3HG2      VAL   8   1.634 -10.253  -5.669
   73   3HG2  VAL   8          1HG2      VAL   8   2.003  -9.779  -4.007
   74    H    CYS   9           HN       CYN   9   6.767  -9.726  -3.063
   75    HA   CYS   9           HA       CYN   9   7.776  -7.932  -5.038
   76   1HB   CYS   9          2HB       CYN   9   5.588  -6.981  -5.109
   77   2HB   CYS   9          3HB       CYN   9   5.428  -7.084  -3.354
   78    H    GLY  10           HN       GLY  10   7.006  -6.455  -2.037
   79   1HA   GLY  10          2HA       GLY  10   8.186  -7.059   0.144
   80   2HA   GLY  10          3HA       GLY  10   9.651  -7.194  -0.836
   81    H    TYR  11           HN       TYR  11   6.936  -4.879  -0.354
   82    HA   TYR  11           HA       TYR  11   8.905  -2.618  -0.292
   83   1HB   TYR  11          2HB       TYR  11   7.451  -2.403  -2.180
   84   2HB   TYR  11          3HB       TYR  11   6.019  -2.735  -1.212
   85    HD1  TYR  11           HD2      TYR  11   8.900  -0.321  -1.442
   86    HD2  TYR  11           HD1      TYR  11   4.768  -0.898  -0.346
   87    HE1  TYR  11           HE2      TYR  11   8.676   2.105  -0.972
   88    HE2  TYR  11           HE1      TYR  11   4.558   1.526   0.124
   89    HH   TYR  11           HOH      TYR  11   5.569   3.649  -0.369
   90    H    ILE  12           HN       ILE  12   5.713  -3.509   0.975
   91    HA   ILE  12           HA       ILE  12   4.757  -3.418   2.956
   92    HB   ILE  12           HB       ILE  12   7.351  -2.428   4.150
   93   1HG1  ILE  12          2HG1      ILE  12   5.585  -4.767   4.917
   94   2HG1  ILE  12          3HG1      ILE  12   6.727  -4.915   3.566
   95   1HG2  ILE  12          3HG2      ILE  12   4.615  -2.569   5.471
   96   2HG2  ILE  12          1HG2      ILE  12   6.154  -2.487   6.342
   97   3HG2  ILE  12          2HG2      ILE  12   5.660  -1.140   5.330
   98   1HD1  ILE  12          1HD1      ILE  12   8.597  -4.354   5.090
   99   2HD1  ILE  12          2HD1      ILE  12   7.458  -4.294   6.457
  100   3HD1  ILE  12          3HD1      ILE  12   7.712  -5.810   5.583
  101    H    TYR  13           HN       TYR  13   3.086  -2.175   2.890
  102    HA   TYR  13           HA       TYR  13   3.171   0.670   2.154
  103   1HB   TYR  13          2HB       TYR  13   1.358  -0.783   1.367
  104   2HB   TYR  13          3HB       TYR  13   0.960  -1.230   3.032
  105    HD1  TYR  13           HD1      TYR  13  -0.265   0.339   4.508
  106    HD2  TYR  13           HD2      TYR  13   0.523   1.260   0.412
  107    HE1  TYR  13           HE1      TYR  13  -1.679   2.366   4.668
  108    HE2  TYR  13           HE2      TYR  13  -0.348   3.585   0.760
  109    HH   TYR  13           HOH      TYR  13  -2.367   4.399   3.624
  110    H    ASN  14           HN       ASN  14   2.890   2.349   3.641
  111    HA   ASN  14           HA       ASN  14   2.384   1.637   6.460
  112   1HB   ASN  14          2HB       ASN  14   4.797   2.210   6.088
  113   2HB   ASN  14          3HB       ASN  14   4.300   3.774   5.480
  114   1HD2  ASN  14          2HND      ASN  14   5.120   4.156   9.120
  115   2HD2  ASN  14          1HND      ASN  14   5.826   4.255   7.523
  116    HA   PRO  15           HA       PRO  15  -0.834   4.459   5.432
  117   1HB   PRO  15          2HB       PRO  15  -2.229   4.389   7.869
  118   2HB   PRO  15          3HB       PRO  15  -2.464   3.220   6.553
  119   1HG   PRO  15          2HG       PRO  15  -0.968   2.869   9.097
  120   2HG   PRO  15          3HG       PRO  15  -1.773   1.675   8.034
  121   1HD   PRO  15          2HD       PRO  15   0.981   2.162   8.226
  122   2HD   PRO  15          3HD       PRO  15   0.228   1.257   6.913
  123    H    GLU  16           HN       GLU  16   0.971   4.759   8.527
  124    HA   GLU  16           HA       GLU  16   0.085   7.424   9.014
  125   1HB   GLU  16          2HB       GLU  16   2.603   5.927   9.823
  126   2HB   GLU  16          3HB       GLU  16   2.125   7.513  10.405
  127   1HG   GLU  16          2HG       GLU  16  -0.208   5.989  10.789
  128   2HG   GLU  16          3HG       GLU  16   1.082   4.836  11.160
  129    H    ASP  17           HN       ASP  17   2.440   6.055   6.852
  130    HA   ASP  17           HA       ASP  17   3.694   8.689   6.195
  131   1HB   ASP  17          2HB       ASP  17   4.106   5.878   5.152
  132   2HB   ASP  17          3HB       ASP  17   5.002   7.287   4.596
  133    H    GLY  18           HN       GLY  18   1.390   6.259   5.013
  134   1HA   GLY  18          2HA       GLY  18   0.054   6.133   3.246
  135   2HA   GLY  18          3HA       GLY  18   0.311   7.849   2.886
  136    H    ASP  19           HN       ASP  19   0.506   7.232   0.672
  137    HA   ASP  19           HA       ASP  19   3.279   6.718  -0.140
  138   1HB   ASP  19          2HB       ASP  19   0.961   4.946  -0.939
  139   2HB   ASP  19          3HB       ASP  19   2.123   5.370  -2.178
  140    HA   PRO  20           HA       PRO  20   0.515  10.270  -1.449
  141   1HB   PRO  20          2HB       PRO  20   2.278  12.363  -0.984
  142   2HB   PRO  20          3HB       PRO  20   1.129  11.690   0.212
  143   1HG   PRO  20          2HG       PRO  20   4.065  11.049  -0.123
  144   2HG   PRO  20          3HG       PRO  20   3.172  11.355   1.395
  145   1HD   PRO  20          2HD       PRO  20   3.729   8.839   0.597
  146   2HD   PRO  20          3HD       PRO  20   2.139   9.226   1.314
  147    H    ASP  21           HN       ASP  21   4.019   9.847  -2.214
  148    HA   ASP  21           HA       ASP  21   4.269  11.254  -4.531
  149   1HB   ASP  21          2HB       ASP  21   5.354   8.489  -3.800
  150   2HB   ASP  21          3HB       ASP  21   6.047   9.595  -4.988
  151    H    ASN  22           HN       ASN  22   2.519   8.286  -3.930
  152    HA   ASN  22           HA       ASN  22   2.157   7.655  -6.798
  153   1HB   ASN  22          2HB       ASN  22   1.444   6.016  -4.336
  154   2HB   ASN  22          3HB       ASN  22   1.568   5.448  -5.994
  155   1HD2  ASN  22          2HND      ASN  22   4.925   5.867  -3.666
  156   2HD2  ASN  22          1HND      ASN  22   3.395   6.551  -3.159
  157    H    GLY  23           HN       GLY  23   0.580   9.083  -4.122
  158   1HA   GLY  23          2HA       GLY  23  -1.299  10.407  -4.847
  159   2HA   GLY  23          3HA       GLY  23  -2.077   8.959  -5.503
  160    H    VAL  24           HN       VAL  24  -0.577   8.003  -2.656
  161    HA   VAL  24           HA       VAL  24  -3.238   8.007  -1.293
  162    HB   VAL  24           HB       VAL  24  -0.764   6.308  -1.017
  163   1HG1  VAL  24          3HG1      VAL  24  -3.412   6.196   0.453
  164   2HG1  VAL  24          1HG1      VAL  24  -2.241   4.866   0.410
  165   3HG1  VAL  24          2HG1      VAL  24  -1.788   6.405   1.164
  166   1HG2  VAL  24          2HG2      VAL  24  -2.112   5.896  -3.068
  167   2HG2  VAL  24          3HG2      VAL  24  -2.202   4.532  -1.938
  168   3HG2  VAL  24          1HG2      VAL  24  -3.559   5.672  -2.067
  169    H    ASN  25           HN       ASN  25  -3.473   9.636   0.135
  170    HA   ASN  25           HA       ASN  25  -1.252  11.162   1.095
  171   1HB   ASN  25          2HB       ASN  25  -4.232  11.061   1.706
  172   2HB   ASN  25          3HB       ASN  25  -3.166  12.022   2.718
  173   1HD2  ASN  25          2HND      ASN  25  -3.535  13.206  -1.222
  174   2HD2  ASN  25          1HND      ASN  25  -3.657  11.500  -0.868
  175    HA   PRO  26           HA       PRO  26  -0.202   8.988   4.845
  176   1HB   PRO  26          2HB       PRO  26   0.139  11.082   6.662
  177   2HB   PRO  26          3HB       PRO  26   1.361  10.462   5.531
  178   1HG   PRO  26          2HG       PRO  26  -0.392  12.880   5.235
  179   2HG   PRO  26          3HG       PRO  26   1.316  12.634   4.733
  180   1HD   PRO  26          2HD       PRO  26  -0.807  12.541   2.981
  181   2HD   PRO  26          3HD       PRO  26   0.676  11.568   2.754
  182    H    GLY  27           HN       GLY  27  -1.152   8.255   6.620
  183   1HA   GLY  27          2HA       GLY  27  -2.786   7.724   8.110
  184   2HA   GLY  27          3HA       GLY  27  -3.557   9.303   7.857
  185    H    THR  28           HN       THR  28  -2.967   7.198   4.952
  186    HA   THR  28           HA       THR  28  -5.900   6.891   4.810
  187    HB   THR  28           HB       THR  28  -3.658   6.331   2.822
  188    HG1  THR  28           HG1      THR  28  -3.973   8.515   3.030
  189   1HG2  THR  28          3HG2      THR  28  -6.700   6.173   2.650
  190   2HG2  THR  28          1HG2      THR  28  -5.627   6.190   1.229
  191   3HG2  THR  28          2HG2      THR  28  -5.509   4.872   2.412
  192    H    ASP  29           HN       ASP  29  -6.741   5.066   5.539
  193    HA   ASP  29           HA       ASP  29  -5.197   2.832   6.398
  194   1HB   ASP  29          2HB       ASP  29  -7.587   3.566   7.062
  195   2HB   ASP  29          3HB       ASP  29  -8.118   2.785   5.591
  196    H    PHE  30           HN       PHE  30  -4.720   0.970   5.386
  197    HA   PHE  30           HA       PHE  30  -4.390   0.660   2.623
  198   1HB   PHE  30          2HB       PHE  30  -3.602  -0.769   4.679
  199   2HB   PHE  30          3HB       PHE  30  -5.088  -1.680   4.435
  200    HD1  PHE  30           HD2      PHE  30  -5.451  -2.701   2.005
  201    HD2  PHE  30           HD1      PHE  30  -1.692  -1.174   3.449
  202    HE1  PHE  30           HE2      PHE  30  -4.308  -3.577  -0.007
  203    HE2  PHE  30           HE1      PHE  30  -0.547  -2.137   1.464
  204    HZ   PHE  30           HZ       PHE  30  -1.861  -3.174  -0.313
  205    H    LYS  31           HN       LYS  31  -7.315   0.110   4.651
  206    HA   LYS  31           HA       LYS  31  -8.645  -1.354   2.515
  207   1HB   LYS  31          2HB       LYS  31 -10.596  -1.327   3.807
  208   2HB   LYS  31          3HB       LYS  31  -9.214  -1.646   4.877
  209   1HG   LYS  31          2HG       LYS  31  -9.177   0.828   5.385
  210   2HG   LYS  31          3HG       LYS  31 -10.664   0.979   4.448
  211   1HD   LYS  31          2HD       LYS  31 -11.772  -0.630   5.972
  212   2HD   LYS  31          3HD       LYS  31 -10.259  -0.770   6.884
  213   1HE   LYS  31          2HE       LYS  31 -11.802   0.809   8.038
  214   2HE   LYS  31          3HE       LYS  31 -10.322   1.614   7.504
  215   1HZ   LYS  31          2HNZ      LYS  31 -11.539   2.500   5.604
  216   2HZ   LYS  31          3HNZ      LYS  31 -12.917   1.799   6.109
  217   3HZ   LYS  31          1HNZ      LYS  31 -12.167   2.979   6.995
  218    H    ASP  32           HN       ASP  32  -8.325   2.005   3.455
  219    HA   ASP  32           HA       ASP  32 -10.505   2.968   1.754
  220   1HB   ASP  32          2HB       ASP  32  -8.543   4.328   3.652
  221   2HB   ASP  32          3HB       ASP  32  -9.804   5.171   2.768
  222    H    ILE  33           HN       ILE  33  -7.101   2.230   1.330
  223    HA   ILE  33           HA       ILE  33  -6.286   4.163  -0.422
  224    HB   ILE  33           HB       ILE  33  -5.931   1.221  -0.325
  225   1HG1  ILE  33          2HG1      ILE  33  -4.390   3.599   0.683
  226   2HG1  ILE  33          3HG1      ILE  33  -5.070   2.344   1.626
  227   1HG2  ILE  33          2HG2      ILE  33  -5.352   2.034  -2.580
  228   2HG2  ILE  33          3HG2      ILE  33  -4.148   3.104  -1.801
  229   3HG2  ILE  33          1HG2      ILE  33  -4.034   1.324  -1.658
  230   1HD1  ILE  33          1HD1      ILE  33  -3.466   0.699   0.445
  231   2HD1  ILE  33          2HD1      ILE  33  -2.598   2.167  -0.095
  232   3HD1  ILE  33          3HD1      ILE  33  -2.801   1.816   1.630
  233    HA   PRO  34           HA       PRO  34  -9.391   3.638  -3.737
  234   1HB   PRO  34          2HB       PRO  34  -7.203   4.358  -5.614
  235   2HB   PRO  34          3HB       PRO  34  -8.753   5.190  -5.358
  236   1HG   PRO  34          2HG       PRO  34  -6.360   6.242  -4.484
  237   2HG   PRO  34          3HG       PRO  34  -7.903   6.470  -3.606
  238   1HD   PRO  34          2HD       PRO  34  -5.679   4.509  -2.930
  239   2HD   PRO  34          3HD       PRO  34  -6.705   5.508  -1.884
  240    H    ASP  35           HN       ASP  35  -9.860   1.774  -5.063
  241    HA   ASP  35           HA       ASP  35  -7.827  -0.300  -4.904
  242   1HB   ASP  35          2HB       ASP  35 -10.721  -0.188  -5.131
  243   2HB   ASP  35          3HB       ASP  35 -10.043  -1.210  -6.382
  244    H    ASP  36           HN       ASP  36  -8.470   2.149  -7.131
  245    HA   ASP  36           HA       ASP  36  -7.208   0.888  -9.427
  246   1HB   ASP  36          2HB       ASP  36  -7.286   3.273 -10.242
  247   2HB   ASP  36          3HB       ASP  36  -8.871   2.626  -9.790
  248    H    TRP  37           HN       TRP  37  -6.058   2.009  -6.379
  249    HA   TRP  37           HA       TRP  37  -3.574   3.173  -7.305
  250   1HB   TRP  37          2HB       TRP  37  -4.464   3.593  -5.059
  251   2HB   TRP  37          3HB       TRP  37  -4.404   1.861  -4.721
  252    HD1  TRP  37           HD       TRP  37  -1.890   4.732  -5.235
  253    HE1  TRP  37           HNE      TRP  37   0.190   4.176  -3.842
  254    HE3  TRP  37           HE       TRP  37  -3.128  -0.021  -3.880
  255    HZ2  TRP  37           HZ1      TRP  37   1.141   1.957  -2.216
  256    HZ3  TRP  37           HZ2      TRP  37  -1.559  -1.384  -2.483
  257    HH2  TRP  37           HH       TRP  37   0.548  -0.393  -1.638
  258    H    VAL  38           HN       VAL  38  -1.499   2.123  -6.993
  259    HA   VAL  38           HA       VAL  38  -1.442  -0.812  -7.367
  260    HB   VAL  38           HB       VAL  38  -1.637   0.339  -9.582
  261   1HG1  VAL  38          2HG1      VAL  38  -0.413   2.439  -9.048
  262   2HG1  VAL  38          3HG1      VAL  38   1.106   1.519  -8.954
  263   3HG1  VAL  38          1HG1      VAL  38   0.224   1.628 -10.486
  264   1HG2  VAL  38          1HG2      VAL  38  -0.541  -1.834  -9.378
  265   2HG2  VAL  38          2HG2      VAL  38   0.151  -0.862 -10.686
  266   3HG2  VAL  38          3HG2      VAL  38   1.035  -1.024  -9.155
  267    H    CYS  39           HN       CYN  39   0.716  -1.726  -6.935
  268    HA   CYS  39           HA       CYN  39   1.912  -0.636  -4.639
  269   1HB   CYS  39          2HB       CYN  39   2.056  -2.985  -5.261
  270   2HB   CYS  39          3HB       CYN  39   2.966  -2.547  -6.713
  271    HA   PRO  40           HA       PRO  40   4.137   2.727  -6.417
  272   1HB   PRO  40          2HB       PRO  40   6.282   3.024  -4.657
  273   2HB   PRO  40          3HB       PRO  40   4.604   3.524  -4.325
  274   1HG   PRO  40          2HG       PRO  40   5.901   0.970  -3.444
  275   2HG   PRO  40          3HG       PRO  40   4.889   2.136  -2.519
  276   1HD   PRO  40          2HD       PRO  40   3.792  -0.085  -3.508
  277   2HD   PRO  40          3HD       PRO  40   2.917   1.463  -3.620
  278    H    LEU  41           HN       LEU  41   5.908  -0.329  -5.875
  279    HA   LEU  41           HA       LEU  41   7.295   0.157  -8.396
  280   1HB   LEU  41          2HB       LEU  41   8.695   1.296  -6.605
  281   2HB   LEU  41          3HB       LEU  41   8.949  -0.291  -5.884
  282    HG   LEU  41           HG       LEU  41  10.121  -1.015  -7.969
  283   1HD1  LEU  41          2HD1      LEU  41   9.710   1.889  -8.851
  284   2HD1  LEU  41          3HD1      LEU  41  10.821   0.741  -9.618
  285   3HD1  LEU  41          1HD1      LEU  41   9.086   0.450  -9.687
  286   1HD2  LEU  41          2HD2      LEU  41  11.400  -0.036  -6.089
  287   2HD2  LEU  41          3HD2      LEU  41  12.137   0.336  -7.653
  288   3HD2  LEU  41          1HD2      LEU  41  11.203   1.579  -6.800
  289    H    CYS  42           HN       CYN  42   5.323  -1.652  -8.016
  290    HA   CYS  42           HA       CYN  42   6.966  -3.798  -9.040
  291   1HB   CYS  42          2HB       CYN  42   6.297  -5.626  -7.923
  292   2HB   CYS  42          3HB       CYN  42   6.534  -4.434  -6.656
  293    H    GLY  43           HN       GLY  43   3.472  -3.374  -8.350
  294   1HA   GLY  43          2HA       GLY  43   2.392  -2.339 -10.569
  295   2HA   GLY  43          3HA       GLY  43   2.852  -3.944 -11.160
  296    H    VAL  44           HN       VAL  44   0.976  -4.992 -11.288
  297    HA   VAL  44           HA       VAL  44  -0.832  -6.156 -10.775
  298    HB   VAL  44           HB       VAL  44   0.369  -6.240  -7.978
  299   1HG1  VAL  44          1HG1      VAL  44  -1.644  -8.056  -9.387
  300   2HG1  VAL  44          2HG1      VAL  44  -0.838  -8.418  -7.850
  301   3HG1  VAL  44          3HG1      VAL  44  -1.956  -7.057  -7.951
  302   1HG2  VAL  44          2HG2      VAL  44   0.736  -8.031 -10.422
  303   2HG2  VAL  44          3HG2      VAL  44   1.976  -6.985  -9.696
  304   3HG2  VAL  44          1HG2      VAL  44   1.356  -8.370  -8.794
  305    H    GLY  45           HN       GLY  45  -0.792  -4.427  -7.601
  306   1HA   GLY  45          2HA       GLY  45  -2.777  -2.594  -7.783
  307   2HA   GLY  45          3HA       GLY  45  -3.695  -4.102  -7.913
  308    H    LYS  46           HN       LYS  46  -4.692  -4.172  -5.951
  309    HA   LYS  46           HA       LYS  46  -3.027  -4.283  -3.449
  310   1HB   LYS  46          2HB       LYS  46  -5.967  -3.649  -3.860
  311   2HB   LYS  46          3HB       LYS  46  -5.107  -3.768  -2.306
  312   1HG   LYS  46          2HG       LYS  46  -3.882  -1.778  -2.756
  313   2HG   LYS  46          3HG       LYS  46  -4.482  -1.737  -4.443
  314   1HD   LYS  46          2HD       LYS  46  -5.852  -0.176  -3.279
  315   2HD   LYS  46          3HD       LYS  46  -6.806  -1.632  -3.563
  316   1HE   LYS  46          2HE       LYS  46  -6.284  -2.355  -1.167
  317   2HE   LYS  46          3HE       LYS  46  -5.561  -0.786  -0.939
  318   1HZ   LYS  46          3HNZ      LYS  46  -8.372  -1.239  -1.817
  319   2HZ   LYS  46          1HNZ      LYS  46  -7.904  -0.818  -0.257
  320   3HZ   LYS  46          2HNZ      LYS  46  -7.737   0.217  -1.506
  321    H    ASP  47           HN       ASP  47  -2.525  -6.648  -3.721
  322    HA   ASP  47           HA       ASP  47  -4.742  -8.241  -2.778
  323   1HB   ASP  47          2HB       ASP  47  -4.315 -10.071  -4.337
  324   2HB   ASP  47          3HB       ASP  47  -4.844  -8.629  -5.204
  325    H    GLN  48           HN       GLN  48  -3.769 -10.355  -2.208
  326    HA   GLN  48           HA       GLN  48  -2.703 -11.233  -0.310
  327   1HB   GLN  48          2HB       GLN  48  -0.814 -11.081  -2.651
  328   2HB   GLN  48          3HB       GLN  48  -0.223 -11.761  -1.135
  329   1HG   GLN  48          2HG       GLN  48  -1.034 -13.502  -2.614
  330   2HG   GLN  48          3HG       GLN  48  -1.894 -13.467  -1.076
  331   1HE2  GLN  48          2HNE      GLN  48  -5.064 -12.726  -2.559
  332   2HE2  GLN  48          1HNE      GLN  48  -4.154 -12.678  -1.058
  333    H    PHE  49           HN       PHE  49  -3.075  -8.679   0.413
  334    HA   PHE  49           HA       PHE  49  -0.497  -7.717   1.450
  335   1HB   PHE  49          2HB       PHE  49  -1.834  -5.713   2.147
  336   2HB   PHE  49          3HB       PHE  49  -1.654  -6.001   0.442
  337    HD1  PHE  49           HD2      PHE  49  -4.122  -6.064   3.228
  338    HD2  PHE  49           HD1      PHE  49  -3.500  -6.478  -1.008
  339    HE1  PHE  49           HE2      PHE  49  -6.552  -5.860   2.862
  340    HE2  PHE  49           HE1      PHE  49  -5.966  -6.384  -1.368
  341    HZ   PHE  49           HZ       PHE  49  -7.485  -6.035   0.558
  342    H    GLU  50           HN       GLU  50   0.196  -8.453   3.324
  343    HA   GLU  50           HA       GLU  50  -1.652  -9.610   5.368
  344   1HB   GLU  50          2HB       GLU  50   1.353  -9.737   4.849
  345   2HB   GLU  50          3HB       GLU  50   0.596 -10.435   6.269
  346   1HG   GLU  50          2HG       GLU  50  -0.647 -12.025   4.919
  347   2HG   GLU  50          3HG       GLU  50  -0.245 -11.173   3.417
  348    H    GLU  51           HN       GLU  51  -1.424  -8.781   7.691
  349    HA   GLU  51           HA       GLU  51  -0.809  -5.954   7.720
  350   1HB   GLU  51          2HB       GLU  51  -2.825  -6.814   8.763
  351   2HB   GLU  51          3HB       GLU  51  -1.903  -7.942   9.760
  352   1HG   GLU  51          2HG       GLU  51  -0.951  -6.336  11.024
  353   2HG   GLU  51          3HG       GLU  51  -1.299  -4.980   9.928
  354    H    VAL  52           HN       VAL  52   0.889  -4.989   8.868
  355    HA   VAL  52           HA       VAL  52   3.083  -6.702   9.877
  356    HB   VAL  52           HB       VAL  52   2.861  -3.979   8.546
  357   1HG1  VAL  52          1HG1      VAL  52   5.237  -5.131  10.061
  358   2HG1  VAL  52          2HG1      VAL  52   5.296  -3.716   8.976
  359   3HG1  VAL  52          3HG1      VAL  52   4.341  -3.645  10.463
  360   1HG2  VAL  52          3HG2      VAL  52   3.047  -5.922   7.105
  361   2HG2  VAL  52          1HG2      VAL  52   4.432  -4.819   7.005
  362   3HG2  VAL  52          2HG2      VAL  52   4.584  -6.361   7.889
  363    H    GLU  53           HN       GLU  53   2.729  -6.940  12.026
  364    HA   GLU  53           HA       GLU  53   1.347  -5.124  13.695
  365   1HB   GLU  53          2HB       GLU  53   2.016  -6.681  15.430
  366   2HB   GLU  53          3HB       GLU  53   1.278  -7.482  14.046
  367   1HG   GLU  53          2HG       GLU  53   3.641  -8.114  13.280
  368   2HG   GLU  53          3HG       GLU  53   4.239  -7.431  14.778
  369    H    GLU  54           HN       GLU  54   2.710  -3.343  12.930
  370    HA   GLU  54           HA       GLU  54   5.042  -2.622  14.567
  371   1HB   GLU  54          2HB       GLU  54   4.415  -0.297  14.063
  372   2HB   GLU  54          3HB       GLU  54   4.647  -1.280  12.611
  373   1HG   GLU  54          2HG       GLU  54   2.216  -1.466  12.293
  374   2HG   GLU  54          3HG       GLU  54   1.928  -0.641  13.835
   
  No H/Q in entry =         374
  Start of MODEL   19
    1   1H    MET   1          1HN       MET   1  -5.214  -0.693   8.676
    2   2H    MET   1          2HN       MET   1  -6.309   0.570   8.667
    3   3H    MET   1          3HN       MET   1  -4.948   0.619   7.742
    4    HA   MET   1           HA       MET   1  -5.228   0.832  10.625
    5   1HB   MET   1          2HB       MET   1  -3.436   2.667  10.362
    6   2HB   MET   1          3HB       MET   1  -3.601   2.406   8.625
    7   1HG   MET   1          2HG       MET   1  -5.687   3.022   8.591
    8   2HG   MET   1          3HG       MET   1  -6.076   2.792  10.264
    9   1HE   MET   1          3HE       MET   1  -4.530   4.199  12.155
   10   2HE   MET   1          1HE       MET   1  -5.148   5.870  12.149
   11   3HE   MET   1          2HE       MET   1  -6.276   4.509  11.989
   12    H    LYS   2           HN       LYS   2  -2.349   1.174  10.965
   13    HA   LYS   2           HA       LYS   2  -0.417   0.088  11.259
   14   1HB   LYS   2          2HB       LYS   2  -1.832  -2.538  10.801
   15   2HB   LYS   2          3HB       LYS   2  -0.373  -2.207  11.748
   16   1HG   LYS   2          2HG       LYS   2  -1.847  -0.752  13.255
   17   2HG   LYS   2          3HG       LYS   2  -3.250  -1.479  12.394
   18   1HD   LYS   2          2HD       LYS   2  -1.978  -3.716  12.804
   19   2HD   LYS   2          3HD       LYS   2  -1.137  -2.835  14.074
   20   1HE   LYS   2          2HE       LYS   2  -4.174  -3.254  13.766
   21   2HE   LYS   2          3HE       LYS   2  -3.142  -4.155  14.880
   22   1HZ   LYS   2          1HNZ      LYS   2  -3.607  -1.248  14.990
   23   2HZ   LYS   2          2HNZ      LYS   2  -4.281  -2.367  15.993
   24   3HZ   LYS   2          3HNZ      LYS   2  -2.654  -2.108  16.023
   25    H    LYS   3           HN       LYS   3   1.160  -1.526  10.229
   26    HA   LYS   3           HA       LYS   3   1.281  -0.702   7.420
   27   1HB   LYS   3          2HB       LYS   3   3.246  -2.172   9.208
   28   2HB   LYS   3          3HB       LYS   3   3.560  -1.555   7.583
   29   1HG   LYS   3          2HG       LYS   3   3.041   0.748   8.331
   30   2HG   LYS   3          3HG       LYS   3   2.636   0.164   9.926
   31   1HD   LYS   3          2HD       LYS   3   4.764   1.015  10.217
   32   2HD   LYS   3          3HD       LYS   3   4.853  -0.757  10.251
   33   1HE   LYS   3          2HE       LYS   3   5.804  -0.823   8.019
   34   2HE   LYS   3          3HE       LYS   3   5.744   0.949   7.911
   35   1HZ   LYS   3          2HNZ      LYS   3   7.186  -0.537  10.013
   36   2HZ   LYS   3          3HNZ      LYS   3   7.915   0.053   8.650
   37   3HZ   LYS   3          1HNZ      LYS   3   7.237   1.065   9.763
   38    H    TYR   4           HN       TYR   4   1.994  -2.298   5.822
   39    HA   TYR   4           HA       TYR   4   1.047  -5.062   6.257
   40   1HB   TYR   4          2HB       TYR   4  -0.146  -3.042   4.360
   41   2HB   TYR   4          3HB       TYR   4  -0.176  -4.749   3.925
   42    HD1  TYR   4           HD2      TYR   4  -1.457  -2.323   6.429
   43    HD2  TYR   4           HD1      TYR   4  -1.803  -6.199   4.651
   44    HE1  TYR   4           HE2      TYR   4  -3.450  -2.765   7.789
   45    HE2  TYR   4           HE1      TYR   4  -3.827  -6.665   6.005
   46    HH   TYR   4           HOH      TYR   4  -5.231  -5.849   7.699
   47    H    THR   5           HN       THR   5   1.851  -6.602   4.738
   48    HA   THR   5           HA       THR   5   4.121  -5.785   3.090
   49    HB   THR   5           HB       THR   5   2.794  -8.510   3.076
   50    HG1  THR   5           HG1      THR   5   4.377  -7.327   5.111
   51   1HG2  THR   5          1HG2      THR   5   5.711  -7.585   2.977
   52   2HG2  THR   5          2HG2      THR   5   5.160  -9.271   3.025
   53   3HG2  THR   5          3HG2      THR   5   4.774  -8.266   1.626
   54    H    CYS   6           HN       CYN   6   4.326  -6.209   0.789
   55    HA   CYS   6           HA       CYN   6   2.003  -5.716  -0.912
   56   1HB   CYS   6          2HB       CYN   6   4.153  -4.804  -1.524
   57   2HB   CYS   6          3HB       CYN   6   4.917  -6.389  -1.397
   58    H    THR   7           HN       THR   7   1.621  -7.301  -2.720
   59    HA   THR   7           HA       THR   7   0.745  -9.835  -2.046
   60    HB   THR   7           HB       THR   7   1.933  -8.931  -4.702
   61    HG1  THR   7           HG1      THR   7  -0.535  -8.261  -3.500
   62   1HG2  THR   7          1HG2      THR   7   1.097 -11.278  -4.662
   63   2HG2  THR   7          2HG2      THR   7  -0.491 -10.684  -4.121
   64   3HG2  THR   7          3HG2      THR   7   0.131 -10.227  -5.716
   65    H    VAL   8           HN       VAL   8   3.987  -8.774  -3.108
   66    HA   VAL   8           HA       VAL   8   5.205 -11.257  -2.271
   67    HB   VAL   8           HB       VAL   8   4.217 -12.171  -4.242
   68   1HG1  VAL   8          3HG1      VAL   8   5.537  -9.953  -5.858
   69   2HG1  VAL   8          1HG1      VAL   8   4.694 -11.372  -6.513
   70   3HG1  VAL   8          2HG1      VAL   8   3.794 -10.170  -5.585
   71   1HG2  VAL   8          1HG2      VAL   8   6.546 -12.865  -3.678
   72   2HG2  VAL   8          2HG2      VAL   8   6.104 -13.075  -5.380
   73   3HG2  VAL   8          3HG2      VAL   8   7.143 -11.722  -4.904
   74    H    CYS   9           HN       CYN   9   5.633  -8.021  -3.828
   75    HA   CYS   9           HA       CYN   9   8.522  -8.434  -3.815
   76   1HB   CYS   9          2HB       CYN   9   8.742  -6.417  -4.845
   77   2HB   CYS   9          3HB       CYN   9   7.215  -7.031  -5.491
   78    H    GLY  10           HN       GLY  10   9.807  -6.503  -2.735
   79   1HA   GLY  10          2HA       GLY  10   9.262  -6.822   0.167
   80   2HA   GLY  10          3HA       GLY  10  10.751  -6.266  -0.600
   81    H    TYR  11           HN       TYR  11   7.327  -5.124  -0.888
   82    HA   TYR  11           HA       TYR  11   8.264  -2.421   0.025
   83   1HB   TYR  11          2HB       TYR  11   7.713  -2.970  -2.527
   84   2HB   TYR  11          3HB       TYR  11   6.088  -2.559  -2.021
   85    HD1  TYR  11           HD2      TYR  11   6.130  -0.269  -0.397
   86    HD2  TYR  11           HD1      TYR  11   9.032  -1.337  -3.411
   87    HE1  TYR  11           HE2      TYR  11   6.836   2.095  -0.562
   88    HE2  TYR  11           HE1      TYR  11   9.768   1.009  -3.526
   89    HH   TYR  11           HOH      TYR  11   8.076   3.625  -1.774
   90    H    ILE  12           HN       ILE  12   7.604  -2.819   2.136
   91    HA   ILE  12           HA       ILE  12   4.882  -3.510   2.759
   92    HB   ILE  12           HB       ILE  12   7.280  -2.535   4.291
   93   1HG1  ILE  12          2HG1      ILE  12   5.353  -4.832   4.820
   94   2HG1  ILE  12          3HG1      ILE  12   6.670  -4.967   3.652
   95   1HG2  ILE  12          3HG2      ILE  12   4.462  -2.547   5.455
   96   2HG2  ILE  12          1HG2      ILE  12   5.950  -2.498   6.408
   97   3HG2  ILE  12          2HG2      ILE  12   5.562  -1.157   5.343
   98   1HD1  ILE  12          3HD1      ILE  12   8.332  -4.533   5.403
   99   2HD1  ILE  12          1HD1      ILE  12   7.044  -4.411   6.624
  100   3HD1  ILE  12          2HD1      ILE  12   7.319  -5.940   5.780
  101    H    TYR  13           HN       TYR  13   3.116  -2.245   2.841
  102    HA   TYR  13           HA       TYR  13   3.311   0.621   2.160
  103   1HB   TYR  13          2HB       TYR  13   1.496  -0.647   1.131
  104   2HB   TYR  13          3HB       TYR  13   0.948  -1.207   2.713
  105    HD1  TYR  13           HD1      TYR  13   1.739   2.086   1.022
  106    HD2  TYR  13           HD2      TYR  13  -1.050  -0.146   3.386
  107    HE1  TYR  13           HE1      TYR  13   0.489   4.160   1.500
  108    HE2  TYR  13           HE2      TYR  13  -2.168   1.983   4.091
  109    HH   TYR  13           HOH      TYR  13  -2.337   4.359   3.688
  110    H    ASN  14           HN       ASN  14   3.049   2.249   3.654
  111    HA   ASN  14           HA       ASN  14   2.508   1.517   6.484
  112   1HB   ASN  14          2HB       ASN  14   4.922   2.093   6.092
  113   2HB   ASN  14          3HB       ASN  14   4.421   3.663   5.487
  114   1HD2  ASN  14          2HND      ASN  14   5.247   4.226   9.035
  115   2HD2  ASN  14          1HND      ASN  14   5.919   4.255   7.417
  116    HA   PRO  15           HA       PRO  15  -0.704   4.358   5.425
  117   1HB   PRO  15          2HB       PRO  15  -2.127   4.267   7.875
  118   2HB   PRO  15          3HB       PRO  15  -2.359   3.157   6.505
  119   1HG   PRO  15          2HG       PRO  15  -0.925   2.674   9.049
  120   2HG   PRO  15          3HG       PRO  15  -1.736   1.555   7.909
  121   1HD   PRO  15          2HD       PRO  15   1.042   2.025   8.196
  122   2HD   PRO  15          3HD       PRO  15   0.328   1.126   6.853
  123    H    GLU  16           HN       GLU  16   1.157   4.624   8.472
  124    HA   GLU  16           HA       GLU  16   0.287   7.267   9.049
  125   1HB   GLU  16          2HB       GLU  16   2.884   5.834   9.721
  126   2HB   GLU  16          3HB       GLU  16   2.301   7.342  10.407
  127   1HG   GLU  16          2HG       GLU  16   0.105   5.931  10.950
  128   2HG   GLU  16          3HG       GLU  16   1.179   4.535  10.744
  129    H    ASP  17           HN       ASP  17   2.587   5.960   6.792
  130    HA   ASP  17           HA       ASP  17   3.798   8.619   6.151
  131   1HB   ASP  17          2HB       ASP  17   4.264   5.817   5.099
  132   2HB   ASP  17          3HB       ASP  17   5.127   7.249   4.541
  133    H    GLY  18           HN       GLY  18   1.501   6.181   4.954
  134   1HA   GLY  18          2HA       GLY  18   0.194   6.068   3.189
  135   2HA   GLY  18          3HA       GLY  18   0.373   7.794   2.876
  136    H    ASP  19           HN       ASP  19   0.573   7.326   0.644
  137    HA   ASP  19           HA       ASP  19   3.311   6.905  -0.251
  138   1HB   ASP  19          2HB       ASP  19   1.234   4.863  -0.706
  139   2HB   ASP  19          3HB       ASP  19   1.797   5.501  -2.235
  140    HA   PRO  20           HA       PRO  20   0.428  10.334  -1.617
  141   1HB   PRO  20          2HB       PRO  20   2.162  12.468  -1.228
  142   2HB   PRO  20          3HB       PRO  20   1.018  11.825  -0.010
  143   1HG   PRO  20          2HG       PRO  20   3.964  11.222  -0.314
  144   2HG   PRO  20          3HG       PRO  20   3.059  11.558   1.192
  145   1HD   PRO  20          2HD       PRO  20   3.681   9.032   0.458
  146   2HD   PRO  20          3HD       PRO  20   2.089   9.392   1.183
  147    H    ASP  21           HN       ASP  21   3.900   9.798  -2.397
  148    HA   ASP  21           HA       ASP  21   4.149  11.208  -4.734
  149   1HB   ASP  21          2HB       ASP  21   5.247   8.469  -3.921
  150   2HB   ASP  21          3HB       ASP  21   5.924   9.519  -5.169
  151    H    ASN  22           HN       ASN  22   2.425   8.232  -4.068
  152    HA   ASN  22           HA       ASN  22   2.022   7.589  -6.937
  153   1HB   ASN  22          2HB       ASN  22   1.404   5.929  -4.465
  154   2HB   ASN  22          3HB       ASN  22   1.485   5.372  -6.133
  155   1HD2  ASN  22          2HND      ASN  22   4.877   5.759  -3.869
  156   2HD2  ASN  22          1HND      ASN  22   3.391   6.460  -3.336
  157    H    GLY  23           HN       GLY  23   0.453   8.778  -4.119
  158   1HA   GLY  23          2HA       GLY  23  -1.409  10.235  -4.812
  159   2HA   GLY  23          3HA       GLY  23  -2.192   8.834  -5.546
  160    H    VAL  24           HN       VAL  24  -0.581   8.090  -2.557
  161    HA   VAL  24           HA       VAL  24  -3.242   7.925  -1.176
  162    HB   VAL  24           HB       VAL  24  -0.693   6.318  -1.007
  163   1HG1  VAL  24          1HG1      VAL  24  -3.217   6.152   0.653
  164   2HG1  VAL  24          2HG1      VAL  24  -2.006   4.855   0.554
  165   3HG1  VAL  24          3HG1      VAL  24  -1.557   6.425   1.245
  166   1HG2  VAL  24          2HG2      VAL  24  -2.168   5.810  -2.951
  167   2HG2  VAL  24          3HG2      VAL  24  -2.140   4.472  -1.791
  168   3HG2  VAL  24          1HG2      VAL  24  -3.533   5.574  -1.844
  169    H    ASN  25           HN       ASN  25  -3.471   9.599   0.201
  170    HA   ASN  25           HA       ASN  25  -1.273  11.189   1.129
  171   1HB   ASN  25          2HB       ASN  25  -4.233  11.000   1.791
  172   2HB   ASN  25          3HB       ASN  25  -3.172  11.964   2.806
  173   1HD2  ASN  25          2HND      ASN  25  -3.681  13.198  -1.100
  174   2HD2  ASN  25          1HND      ASN  25  -3.865  11.499  -0.736
  175    HA   PRO  26           HA       PRO  26  -0.091   8.948   4.807
  176   1HB   PRO  26          2HB       PRO  26   0.313  11.010   6.645
  177   2HB   PRO  26          3HB       PRO  26   1.493  10.406   5.466
  178   1HG   PRO  26          2HG       PRO  26  -0.239  12.846   5.289
  179   2HG   PRO  26          3HG       PRO  26   1.435  12.578   4.689
  180   1HD   PRO  26          2HD       PRO  26  -0.821  12.545   3.075
  181   2HD   PRO  26          3HD       PRO  26   0.663  11.618   2.708
  182    H    GLY  27           HN       GLY  27  -0.981   8.184   6.633
  183   1HA   GLY  27          2HA       GLY  27  -2.568   7.677   8.189
  184   2HA   GLY  27          3HA       GLY  27  -3.345   9.253   7.943
  185    H    THR  28           HN       THR  28  -2.836   7.195   5.012
  186    HA   THR  28           HA       THR  28  -5.772   6.921   4.925
  187    HB   THR  28           HB       THR  28  -3.524   6.376   2.937
  188    HG1  THR  28           HG1      THR  28  -3.883   8.553   3.145
  189   1HG2  THR  28          2HG2      THR  28  -6.544   6.221   2.656
  190   2HG2  THR  28          3HG2      THR  28  -5.417   6.196   1.282
  191   3HG2  THR  28          1HG2      THR  28  -5.364   4.897   2.489
  192    H    ASP  29           HN       ASP  29  -6.686   5.119   5.592
  193    HA   ASP  29           HA       ASP  29  -5.193   2.779   6.369
  194   1HB   ASP  29          2HB       ASP  29  -7.530   3.572   7.131
  195   2HB   ASP  29          3HB       ASP  29  -8.124   2.933   5.620
  196    H    PHE  30           HN       PHE  30  -4.670   1.055   5.178
  197    HA   PHE  30           HA       PHE  30  -4.573   0.832   2.444
  198   1HB   PHE  30          2HB       PHE  30  -3.772  -0.669   4.445
  199   2HB   PHE  30          3HB       PHE  30  -5.247  -1.584   4.150
  200    HD1  PHE  30           HD2      PHE  30  -5.185  -1.376   1.039
  201    HD2  PHE  30           HD1      PHE  30  -2.140  -2.203   3.935
  202    HE1  PHE  30           HE2      PHE  30  -3.859  -2.511  -0.691
  203    HE2  PHE  30           HE1      PHE  30  -0.831  -3.418   2.169
  204    HZ   PHE  30           HZ       PHE  30  -1.758  -3.549  -0.125
  205    H    LYS  31           HN       LYS  31  -7.453   0.203   4.600
  206    HA   LYS  31           HA       LYS  31  -8.900  -1.109   2.429
  207   1HB   LYS  31          2HB       LYS  31 -10.780  -1.114   3.848
  208   2HB   LYS  31          3HB       LYS  31  -9.338  -1.508   4.811
  209   1HG   LYS  31          2HG       LYS  31  -9.236   1.029   5.319
  210   2HG   LYS  31          3HG       LYS  31 -10.808   1.143   4.606
  211   1HD   LYS  31          2HD       LYS  31 -11.601  -0.585   6.279
  212   2HD   LYS  31          3HD       LYS  31  -9.949  -0.636   6.928
  213   1HE   LYS  31          2HE       LYS  31 -10.748   2.147   6.850
  214   2HE   LYS  31          3HE       LYS  31 -12.113   1.262   7.532
  215   1HZ   LYS  31          1HNZ      LYS  31 -10.563   0.358   9.173
  216   2HZ   LYS  31          2HNZ      LYS  31  -9.323   1.202   8.491
  217   3HZ   LYS  31          3HNZ      LYS  31 -10.559   2.011   9.194
  218    H    ASP  32           HN       ASP  32  -8.419   2.205   3.513
  219    HA   ASP  32           HA       ASP  32 -10.630   3.363   2.023
  220   1HB   ASP  32          2HB       ASP  32  -8.245   4.669   3.405
  221   2HB   ASP  32          3HB       ASP  32  -9.662   5.493   2.767
  222    H    ILE  33           HN       ILE  33  -7.237   2.423   1.357
  223    HA   ILE  33           HA       ILE  33  -6.558   4.302  -0.549
  224    HB   ILE  33           HB       ILE  33  -6.033   1.367  -0.345
  225   1HG1  ILE  33          2HG1      ILE  33  -4.618   3.862   0.566
  226   2HG1  ILE  33          3HG1      ILE  33  -5.173   2.598   1.567
  227   1HG2  ILE  33          2HG2      ILE  33  -5.589   2.128  -2.610
  228   2HG2  ILE  33          3HG2      ILE  33  -4.411   3.291  -1.927
  229   3HG2  ILE  33          1HG2      ILE  33  -4.187   1.528  -1.751
  230   1HD1  ILE  33          2HD1      ILE  33  -3.501   1.037   0.417
  231   2HD1  ILE  33          3HD1      ILE  33  -2.770   2.522  -0.261
  232   3HD1  ILE  33          1HD1      ILE  33  -2.875   2.300   1.487
  233    HA   PRO  34           HA       PRO  34  -9.695   3.273  -3.635
  234   1HB   PRO  34          2HB       PRO  34  -8.189   4.225  -5.872
  235   2HB   PRO  34          3HB       PRO  34  -9.444   5.077  -4.949
  236   1HG   PRO  34          2HG       PRO  34  -6.547   5.540  -4.959
  237   2HG   PRO  34          3HG       PRO  34  -7.799   6.469  -4.086
  238   1HD   PRO  34          2HD       PRO  34  -5.955   4.461  -3.049
  239   2HD   PRO  34          3HD       PRO  34  -7.012   5.541  -2.135
  240    H    ASP  35           HN       ASP  35  -9.979   1.356  -4.849
  241    HA   ASP  35           HA       ASP  35  -7.761  -0.458  -4.979
  242   1HB   ASP  35          2HB       ASP  35 -10.728  -0.462  -5.534
  243   2HB   ASP  35          3HB       ASP  35  -9.713  -1.684  -6.244
  244    H    ASP  36           HN       ASP  36  -8.524   2.093  -6.927
  245    HA   ASP  36           HA       ASP  36  -7.443   1.184  -9.425
  246   1HB   ASP  36          2HB       ASP  36  -8.563   3.552  -8.362
  247   2HB   ASP  36          3HB       ASP  36  -6.996   3.913  -9.100
  248    H    TRP  37           HN       TRP  37  -6.079   1.923  -6.319
  249    HA   TRP  37           HA       TRP  37  -3.539   2.942  -7.248
  250   1HB   TRP  37          2HB       TRP  37  -4.446   3.529  -5.048
  251   2HB   TRP  37          3HB       TRP  37  -4.461   1.829  -4.604
  252    HD1  TRP  37           HD       TRP  37  -1.900   4.647  -5.158
  253    HE1  TRP  37           HNE      TRP  37   0.223   4.054  -3.854
  254    HE3  TRP  37           HE       TRP  37  -3.164  -0.082  -3.778
  255    HZ2  TRP  37           HZ1      TRP  37   1.238   1.786  -2.339
  256    HZ3  TRP  37           HZ2      TRP  37  -1.568  -1.479  -2.429
  257    HH2  TRP  37           HH       TRP  37   0.610  -0.541  -1.707
  258    H    VAL  38           HN       VAL  38  -1.490   1.886  -6.976
  259    HA   VAL  38           HA       VAL  38  -1.426  -1.053  -7.189
  260    HB   VAL  38           HB       VAL  38  -0.630   0.996  -9.303
  261   1HG1  VAL  38          3HG1      VAL  38   0.222  -1.920  -9.256
  262   2HG1  VAL  38          1HG1      VAL  38   0.405  -0.800 -10.611
  263   3HG1  VAL  38          2HG1      VAL  38   1.295  -0.505  -9.119
  264   1HG2  VAL  38          3HG2      VAL  38  -2.334  -1.535  -9.400
  265   2HG2  VAL  38          1HG2      VAL  38  -2.933   0.133  -9.489
  266   3HG2  VAL  38          2HG2      VAL  38  -1.944  -0.513 -10.797
  267    H    CYS  39           HN       CYN  39   0.640  -1.864  -6.746
  268    HA   CYS  39           HA       CYN  39   2.078  -0.704  -4.688
  269   1HB   CYS  39          2HB       CYN  39   1.942  -3.094  -5.473
  270   2HB   CYS  39          3HB       CYN  39   3.134  -2.690  -6.718
  271    HA   PRO  40           HA       PRO  40   4.064   2.612  -6.658
  272   1HB   PRO  40          2HB       PRO  40   6.349   3.056  -5.114
  273   2HB   PRO  40          3HB       PRO  40   4.681   3.444  -4.622
  274   1HG   PRO  40          2HG       PRO  40   6.205   0.956  -3.919
  275   2HG   PRO  40          3HG       PRO  40   5.272   2.051  -2.843
  276   1HD   PRO  40          2HD       PRO  40   4.154  -0.186  -3.734
  277   2HD   PRO  40          3HD       PRO  40   3.201   1.321  -3.768
  278    H    LEU  41           HN       LEU  41   6.577   0.126  -5.925
  279    HA   LEU  41           HA       LEU  41   7.801   0.622  -8.625
  280   1HB   LEU  41          2HB       LEU  41   9.206   0.325  -5.942
  281   2HB   LEU  41          3HB       LEU  41  10.014   0.346  -7.514
  282    HG   LEU  41           HG       LEU  41   8.393   2.671  -6.385
  283   1HD1  LEU  41          1HD1      LEU  41  11.362   2.033  -6.367
  284   2HD1  LEU  41          2HD1      LEU  41  10.762   3.701  -6.253
  285   3HD1  LEU  41          3HD1      LEU  41  10.313   2.528  -5.020
  286   1HD2  LEU  41          3HD2      LEU  41  10.233   2.477  -8.818
  287   2HD2  LEU  41          1HD2      LEU  41   8.471   2.713  -8.864
  288   3HD2  LEU  41          2HD2      LEU  41   9.503   3.969  -8.191
  289    H    CYS  42           HN       CYN  42   6.085  -1.219  -8.707
  290    HA   CYS  42           HA       CYN  42   7.499  -3.786  -8.830
  291   1HB   CYS  42          2HB       CYN  42   7.104  -3.946  -6.578
  292   2HB   CYS  42          3HB       CYN  42   5.624  -2.995  -6.658
  293    H    GLY  43           HN       GLY  43   4.113  -2.661  -8.475
  294   1HA   GLY  43          2HA       GLY  43   2.682  -2.163 -10.313
  295   2HA   GLY  43          3HA       GLY  43   3.634  -3.187 -11.379
  296    H    VAL  44           HN       VAL  44   2.045  -3.731  -8.169
  297    HA   VAL  44           HA       VAL  44   0.201  -5.664  -9.468
  298    HB   VAL  44           HB       VAL  44   0.205  -7.052  -7.473
  299   1HG1  VAL  44          2HG1      VAL  44   1.703  -7.626  -9.354
  300   2HG1  VAL  44          3HG1      VAL  44   3.026  -6.733  -8.575
  301   3HG1  VAL  44          1HG1      VAL  44   2.344  -8.169  -7.792
  302   1HG2  VAL  44          1HG2      VAL  44   2.455  -5.272  -6.458
  303   2HG2  VAL  44          2HG2      VAL  44   0.853  -5.485  -5.726
  304   3HG2  VAL  44          3HG2      VAL  44   1.995  -6.830  -5.765
  305    H    GLY  45           HN       GLY  45  -1.866  -5.751  -8.478
  306   1HA   GLY  45          2HA       GLY  45  -2.782  -3.175  -7.405
  307   2HA   GLY  45          3HA       GLY  45  -3.758  -4.592  -7.826
  308    H    LYS  46           HN       LYS  46  -4.664  -3.719  -5.659
  309    HA   LYS  46           HA       LYS  46  -3.205  -4.419  -3.219
  310   1HB   LYS  46          2HB       LYS  46  -6.115  -3.691  -3.672
  311   2HB   LYS  46          3HB       LYS  46  -5.218  -3.723  -2.138
  312   1HG   LYS  46          2HG       LYS  46  -3.934  -1.809  -2.806
  313   2HG   LYS  46          3HG       LYS  46  -4.618  -1.847  -4.448
  314   1HD   LYS  46          2HD       LYS  46  -5.902  -0.177  -3.309
  315   2HD   LYS  46          3HD       LYS  46  -6.893  -1.640  -3.459
  316   1HE   LYS  46          2HE       LYS  46  -6.123  -2.182  -1.022
  317   2HE   LYS  46          3HE       LYS  46  -5.516  -0.544  -1.028
  318   1HZ   LYS  46          2HNZ      LYS  46  -8.354  -1.199  -1.658
  319   2HZ   LYS  46          3HNZ      LYS  46  -7.798  -0.662  -0.146
  320   3HZ   LYS  46          1HNZ      LYS  46  -7.764   0.274  -1.474
  321    H    ASP  47           HN       ASP  47  -2.807  -6.798  -3.674
  322    HA   ASP  47           HA       ASP  47  -5.108  -8.381  -2.771
  323   1HB   ASP  47          2HB       ASP  47  -3.705  -8.693  -5.416
  324   2HB   ASP  47          3HB       ASP  47  -3.943 -10.166  -4.469
  325    H    GLN  48           HN       GLN  48  -4.525 -10.124  -1.725
  326    HA   GLN  48           HA       GLN  48  -3.448 -11.263  -0.049
  327   1HB   GLN  48          2HB       GLN  48  -2.700 -12.221  -2.328
  328   2HB   GLN  48          3HB       GLN  48  -1.167 -11.396  -2.046
  329   1HG   GLN  48          2HG       GLN  48  -0.805 -13.594  -1.285
  330   2HG   GLN  48          3HG       GLN  48  -1.069 -12.690   0.204
  331   1HE2  GLN  48          2HNE      GLN  48  -3.787 -15.525  -1.035
  332   2HE2  GLN  48          1HNE      GLN  48  -2.528 -14.965  -2.126
  333    H    PHE  49           HN       PHE  49  -3.311  -8.834   0.877
  334    HA   PHE  49           HA       PHE  49  -0.472  -8.157   1.484
  335   1HB   PHE  49          2HB       PHE  49  -1.533  -6.006   2.297
  336   2HB   PHE  49          3HB       PHE  49  -1.419  -6.304   0.580
  337    HD1  PHE  49           HD2      PHE  49  -3.394  -6.766  -0.806
  338    HD2  PHE  49           HD1      PHE  49  -3.779  -5.839   3.375
  339    HE1  PHE  49           HE2      PHE  49  -5.873  -6.606  -1.052
  340    HE2  PHE  49           HE1      PHE  49  -6.207  -5.517   3.092
  341    HZ   PHE  49           HZ       PHE  49  -7.267  -5.938   0.877
  342    H    GLU  50           HN       GLU  50   0.301  -8.932   3.316
  343    HA   GLU  50           HA       GLU  50  -1.411  -9.860   5.530
  344   1HB   GLU  50          2HB       GLU  50   1.572  -9.905   4.895
  345   2HB   GLU  50          3HB       GLU  50   0.924 -10.498   6.416
  346   1HG   GLU  50          2HG       GLU  50  -0.282 -12.269   5.350
  347   2HG   GLU  50          3HG       GLU  50  -0.133 -11.536   3.744
  348    H    GLU  51           HN       GLU  51  -1.236  -8.908   7.725
  349    HA   GLU  51           HA       GLU  51  -0.636  -6.054   7.695
  350   1HB   GLU  51          2HB       GLU  51  -2.725  -6.790   8.668
  351   2HB   GLU  51          3HB       GLU  51  -1.911  -7.997   9.672
  352   1HG   GLU  51          2HG       GLU  51  -0.884  -6.405  10.986
  353   2HG   GLU  51          3HG       GLU  51  -1.362  -5.022   9.977
  354    H    VAL  52           HN       VAL  52   1.001  -5.098   8.881
  355    HA   VAL  52           HA       VAL  52   3.170  -6.789   9.964
  356    HB   VAL  52           HB       VAL  52   3.019  -4.136   8.488
  357   1HG1  VAL  52          1HG1      VAL  52   5.327  -5.328  10.072
  358   2HG1  VAL  52          2HG1      VAL  52   5.485  -3.986   8.903
  359   3HG1  VAL  52          3HG1      VAL  52   4.527  -3.772  10.372
  360   1HG2  VAL  52          2HG2      VAL  52   3.133  -6.178   7.133
  361   2HG2  VAL  52          3HG2      VAL  52   4.523  -5.087   6.982
  362   3HG2  VAL  52          1HG2      VAL  52   4.671  -6.592   7.931
  363    H    GLU  53           HN       GLU  53   2.592  -6.964  12.061
  364    HA   GLU  53           HA       GLU  53   1.441  -4.918  13.652
  365   1HB   GLU  53          2HB       GLU  53   1.654  -6.588  15.404
  366   2HB   GLU  53          3HB       GLU  53   0.922  -7.237  13.939
  367   1HG   GLU  53          2HG       GLU  53   3.271  -8.203  13.388
  368   2HG   GLU  53          3HG       GLU  53   3.727  -7.697  14.998
  369    H    GLU  54           HN       GLU  54   3.014  -3.323  13.167
  370    HA   GLU  54           HA       GLU  54   5.387  -2.990  14.879
  371   1HB   GLU  54          2HB       GLU  54   3.323  -0.921  14.128
  372   2HB   GLU  54          3HB       GLU  54   4.905  -0.610  14.840
  373   1HG   GLU  54          2HG       GLU  54   4.579  -1.954  12.123
  374   2HG   GLU  54          3HG       GLU  54   4.584  -0.195  12.375
   
  No H/Q in entry =         374
  Start of MODEL   20
    1   1H    MET   1          1HN       MET   1  -2.000   2.592  12.706
    2   2H    MET   1          2HN       MET   1  -2.198   3.537  11.405
    3   3H    MET   1          3HN       MET   1  -3.410   3.476  12.542
    4    HA   MET   1           HA       MET   1  -3.995   1.330  11.995
    5   1HB   MET   1          2HB       MET   1  -4.377   3.216  10.139
    6   2HB   MET   1          3HB       MET   1  -3.169   2.341   9.274
    7   1HG   MET   1          2HG       MET   1  -5.327   0.671  10.298
    8   2HG   MET   1          3HG       MET   1  -5.751   1.818   9.037
    9   1HE   MET   1          1HE       MET   1  -6.554  -0.806   8.372
   10   2HE   MET   1          2HE       MET   1  -5.472  -1.847   7.426
   11   3HE   MET   1          3HE       MET   1  -5.357  -1.812   9.200
   12    H    LYS   2           HN       LYS   2  -3.306  -0.723  10.501
   13    HA   LYS   2           HA       LYS   2  -0.536  -1.264  11.329
   14   1HB   LYS   2          2HB       LYS   2  -2.704  -3.019  10.112
   15   2HB   LYS   2          3HB       LYS   2  -1.050  -3.531  10.435
   16   1HG   LYS   2          2HG       LYS   2  -1.973  -2.319  12.860
   17   2HG   LYS   2          3HG       LYS   2  -3.281  -3.369  12.255
   18   1HD   LYS   2          2HD       LYS   2  -1.497  -5.174  11.905
   19   2HD   LYS   2          3HD       LYS   2  -0.360  -4.150  12.759
   20   1HE   LYS   2          2HE       LYS   2  -3.044  -5.112  13.879
   21   2HE   LYS   2          3HE       LYS   2  -1.532  -6.006  14.056
   22   1HZ   LYS   2          1HNZ      LYS   2  -0.563  -4.058  15.128
   23   2HZ   LYS   2          2HNZ      LYS   2  -1.979  -3.275  15.076
   24   3HZ   LYS   2          3HNZ      LYS   2  -1.836  -4.650  15.990
   25    H    LYS   3           HN       LYS   3   1.057  -2.019   9.945
   26    HA   LYS   3           HA       LYS   3   1.121  -0.865   7.255
   27   1HB   LYS   3          2HB       LYS   3   3.081  -2.471   8.919
   28   2HB   LYS   3          3HB       LYS   3   3.455  -1.682   7.368
   29   1HG   LYS   3          2HG       LYS   3   2.802   0.502   8.369
   30   2HG   LYS   3          3HG       LYS   3   2.469  -0.285   9.891
   31   1HD   LYS   3          2HD       LYS   3   4.928  -1.043   9.899
   32   2HD   LYS   3          3HD       LYS   3   5.162   0.112   8.568
   33   1HE   LYS   3          2HE       LYS   3   4.149   1.914  10.088
   34   2HE   LYS   3          3HE       LYS   3   4.058   0.703  11.373
   35   1HZ   LYS   3          3HNZ      LYS   3   6.405   0.479  11.291
   36   2HZ   LYS   3          1HNZ      LYS   3   6.550   1.632  10.115
   37   3HZ   LYS   3          2HNZ      LYS   3   5.987   2.021  11.623
   38    H    TYR   4           HN       TYR   4   1.954  -2.367   5.530
   39    HA   TYR   4           HA       TYR   4   0.883  -5.108   5.750
   40   1HB   TYR   4          2HB       TYR   4  -0.291  -3.125   3.725
   41   2HB   TYR   4          3HB       TYR   4  -0.299  -4.836   3.496
   42    HD1  TYR   4           HD1      TYR   4  -1.432  -2.372   6.154
   43    HD2  TYR   4           HD2      TYR   4  -2.134  -6.042   4.040
   44    HE1  TYR   4           HE1      TYR   4  -3.319  -2.881   7.654
   45    HE2  TYR   4           HE2      TYR   4  -4.173  -6.431   5.374
   46    HH   TYR   4           HOH      TYR   4  -4.687  -5.074   8.342
   47    H    THR   5           HN       THR   5   1.881  -6.679   4.387
   48    HA   THR   5           HA       THR   5   4.297  -5.708   2.959
   49    HB   THR   5           HB       THR   5   3.402  -8.594   3.198
   50    HG1  THR   5           HG1      THR   5   4.724  -6.998   5.130
   51   1HG2  THR   5          2HG2      THR   5   5.389  -8.090   1.775
   52   2HG2  THR   5          3HG2      THR   5   6.158  -7.262   3.150
   53   3HG2  THR   5          1HG2      THR   5   5.826  -9.004   3.225
   54    H    CYS   6           HN       CYN   6   4.618  -5.885   0.684
   55    HA   CYS   6           HA       CYN   6   2.282  -6.063  -1.005
   56   1HB   CYS   6          2HB       CYN   6   4.144  -4.665  -1.640
   57   2HB   CYS   6          3HB       CYN   6   5.225  -6.056  -1.584
   58    H    THR   7           HN       THR   7   1.747  -7.673  -2.453
   59    HA   THR   7           HA       THR   7   1.728 -10.329  -1.782
   60    HB   THR   7           HB       THR   7   1.850  -9.069  -4.562
   61    HG1  THR   7           HG1      THR   7  -0.436  -9.070  -4.283
   62   1HG2  THR   7          2HG2      THR   7   0.639 -11.711  -3.625
   63   2HG2  THR   7          3HG2      THR   7   0.378 -10.982  -5.227
   64   3HG2  THR   7          1HG2      THR   7   1.994 -11.515  -4.756
   65    H    VAL   8           HN       VAL   8   4.336  -8.566  -3.437
   66    HA   VAL   8           HA       VAL   8   6.063 -10.981  -3.183
   67    HB   VAL   8           HB       VAL   8   7.141 -10.415  -5.356
   68   1HG1  VAL   8          3HG1      VAL   8   5.658 -12.338  -5.136
   69   2HG1  VAL   8          1HG1      VAL   8   4.239 -11.319  -5.460
   70   3HG1  VAL   8          2HG1      VAL   8   5.451 -11.579  -6.724
   71   1HG2  VAL   8          2HG2      VAL   8   4.623  -8.757  -5.856
   72   2HG2  VAL   8          3HG2      VAL   8   6.284  -8.137  -5.729
   73   3HG2  VAL   8          1HG2      VAL   8   5.842  -9.205  -7.061
   74    H    CYS   9           HN       CYN   9   5.985  -7.362  -3.472
   75    HA   CYS   9           HA       CYN   9   8.806  -7.244  -3.103
   76   1HB   CYS   9          2HB       CYN   9   6.907  -4.959  -2.610
   77   2HB   CYS   9          3HB       CYN   9   8.581  -4.943  -3.181
   78    H    GLY  10           HN       GLY  10   9.925  -6.096  -1.377
   79   1HA   GLY  10          2HA       GLY  10   8.831  -6.655   1.350
   80   2HA   GLY  10          3HA       GLY  10  10.515  -6.374   0.908
   81    H    TYR  11           HN       TYR  11   8.401  -4.134  -0.678
   82    HA   TYR  11           HA       TYR  11   9.668  -1.932   0.557
   83   1HB   TYR  11          2HB       TYR  11   6.989  -1.964  -0.877
   84   2HB   TYR  11          3HB       TYR  11   7.984  -0.546  -0.570
   85    HD1  TYR  11           HD1      TYR  11  10.628  -1.005  -1.431
   86    HD2  TYR  11           HD2      TYR  11   6.958  -2.480  -3.151
   87    HE1  TYR  11           HE1      TYR  11  11.758  -1.303  -3.622
   88    HE2  TYR  11           HE2      TYR  11   8.104  -2.837  -5.291
   89    HH   TYR  11           HOH      TYR  11   9.963  -2.423  -6.510
   90    H    ILE  12           HN       ILE  12   6.512  -3.387   1.164
   91    HA   ILE  12           HA       ILE  12   5.070  -3.347   2.826
   92    HB   ILE  12           HB       ILE  12   7.467  -2.431   4.396
   93   1HG1  ILE  12          2HG1      ILE  12   5.539  -4.759   4.704
   94   2HG1  ILE  12          3HG1      ILE  12   6.918  -4.806   3.601
   95   1HG2  ILE  12          3HG2      ILE  12   4.630  -2.515   5.488
   96   2HG2  ILE  12          1HG2      ILE  12   6.099  -2.479   6.481
   97   3HG2  ILE  12          2HG2      ILE  12   5.713  -1.104   5.471
   98   1HD1  ILE  12          1HD1      ILE  12   7.142  -4.441   6.616
   99   2HD1  ILE  12          2HD1      ILE  12   7.462  -5.915   5.691
  100   3HD1  ILE  12          3HD1      ILE  12   8.485  -4.486   5.449
  101    H    TYR  13           HN       TYR  13   3.291  -2.229   2.631
  102    HA   TYR  13           HA       TYR  13   3.315   0.660   2.120
  103   1HB   TYR  13          2HB       TYR  13   1.595  -0.669   1.048
  104   2HB   TYR  13          3HB       TYR  13   1.080  -1.343   2.596
  105    HD1  TYR  13           HD2      TYR  13   1.341   1.850   0.666
  106    HD2  TYR  13           HD1      TYR  13  -0.670  -0.274   3.770
  107    HE1  TYR  13           HE2      TYR  13   0.042   3.892   1.191
  108    HE2  TYR  13           HE1      TYR  13  -1.904   1.823   4.422
  109    HH   TYR  13           HOH      TYR  13  -2.438   4.141   3.747
  110    H    ASN  14           HN       ASN  14   3.107   2.207   3.671
  111    HA   ASN  14           HA       ASN  14   2.523   1.386   6.472
  112   1HB   ASN  14          2HB       ASN  14   4.911   2.022   6.229
  113   2HB   ASN  14          3HB       ASN  14   4.424   3.542   5.510
  114   1HD2  ASN  14          2HND      ASN  14   5.045   4.328   9.035
  115   2HD2  ASN  14          1HND      ASN  14   5.746   4.366   7.440
  116    HA   PRO  15           HA       PRO  15  -0.829   4.105   5.389
  117   1HB   PRO  15          2HB       PRO  15  -2.126   4.093   7.946
  118   2HB   PRO  15          3HB       PRO  15  -2.451   2.992   6.603
  119   1HG   PRO  15          2HG       PRO  15  -0.815   2.543   9.051
  120   2HG   PRO  15          3HG       PRO  15  -1.658   1.356   8.004
  121   1HD   PRO  15          2HD       PRO  15   1.043   1.815   8.120
  122   2HD   PRO  15          3HD       PRO  15   0.239   0.971   6.784
  123    H    GLU  16           HN       GLU  16   1.015   4.561   8.393
  124    HA   GLU  16           HA       GLU  16   0.169   7.237   8.817
  125   1HB   GLU  16          2HB       GLU  16   2.737   5.807   9.580
  126   2HB   GLU  16          3HB       GLU  16   2.174   7.362  10.181
  127   1HG   GLU  16          2HG       GLU  16  -0.043   6.070  10.807
  128   2HG   GLU  16          3HG       GLU  16   0.927   4.601  10.593
  129    H    ASP  17           HN       ASP  17   2.458   5.838   6.606
  130    HA   ASP  17           HA       ASP  17   3.649   8.496   5.880
  131   1HB   ASP  17          2HB       ASP  17   4.308   5.639   5.175
  132   2HB   ASP  17          3HB       ASP  17   4.961   6.992   4.264
  133    H    GLY  18           HN       GLY  18   1.416   5.998   4.770
  134   1HA   GLY  18          2HA       GLY  18   0.094   5.794   2.992
  135   2HA   GLY  18          3HA       GLY  18   0.266   7.512   2.627
  136    H    ASP  19           HN       ASP  19   0.501   7.073   0.402
  137    HA   ASP  19           HA       ASP  19   3.208   6.518  -0.483
  138   1HB   ASP  19          2HB       ASP  19   1.145   4.479  -0.801
  139   2HB   ASP  19          3HB       ASP  19   1.634   5.043  -2.375
  140    HA   PRO  20           HA       PRO  20   0.403   9.946  -2.003
  141   1HB   PRO  20          2HB       PRO  20   2.187  12.062  -1.723
  142   2HB   PRO  20          3HB       PRO  20   1.037  11.494  -0.473
  143   1HG   PRO  20          2HG       PRO  20   3.968  10.813  -0.769
  144   2HG   PRO  20          3HG       PRO  20   3.082  11.236   0.724
  145   1HD   PRO  20          2HD       PRO  20   3.636   8.670   0.107
  146   2HD   PRO  20          3HD       PRO  20   2.052   9.100   0.814
  147    H    ASP  21           HN       ASP  21   3.868   9.370  -2.816
  148    HA   ASP  21           HA       ASP  21   4.080  10.662  -5.225
  149   1HB   ASP  21          2HB       ASP  21   5.189   7.981  -4.253
  150   2HB   ASP  21          3HB       ASP  21   5.822   8.902  -5.620
  151    H    ASN  22           HN       ASN  22   2.326   7.779  -4.420
  152    HA   ASN  22           HA       ASN  22   1.886   6.975  -7.245
  153   1HB   ASN  22          2HB       ASN  22   1.008   5.515  -4.755
  154   2HB   ASN  22          3HB       ASN  22   1.159   4.856  -6.379
  155   1HD2  ASN  22          2HND      ASN  22   4.217   4.986  -3.642
  156   2HD2  ASN  22          1HND      ASN  22   2.943   6.117  -3.599
  157    H    GLY  23           HN       GLY  23   0.372   8.151  -4.367
  158   1HA   GLY  23          2HA       GLY  23  -1.359   9.814  -5.086
  159   2HA   GLY  23          3HA       GLY  23  -2.250   8.455  -5.782
  160    H    VAL  24           HN       VAL  24  -0.673   7.655  -2.765
  161    HA   VAL  24           HA       VAL  24  -3.334   7.756  -1.377
  162    HB   VAL  24           HB       VAL  24  -0.921   5.959  -1.169
  163   1HG1  VAL  24          1HG1      VAL  24  -3.364   6.087   0.629
  164   2HG1  VAL  24          2HG1      VAL  24  -2.234   4.720   0.560
  165   3HG1  VAL  24          3HG1      VAL  24  -1.670   6.294   1.137
  166   1HG2  VAL  24          1HG2      VAL  24  -2.729   5.591  -2.956
  167   2HG2  VAL  24          2HG2      VAL  24  -2.517   4.245  -1.812
  168   3HG2  VAL  24          3HG2      VAL  24  -3.887   5.365  -1.645
  169    H    ASN  25           HN       ASN  25  -3.500   9.405  -0.011
  170    HA   ASN  25           HA       ASN  25  -1.245  10.981   0.830
  171   1HB   ASN  25          2HB       ASN  25  -4.204  10.904   1.509
  172   2HB   ASN  25          3HB       ASN  25  -3.105  11.877   2.478
  173   1HD2  ASN  25          2HND      ASN  25  -3.473  12.937  -1.501
  174   2HD2  ASN  25          1HND      ASN  25  -3.517  11.242  -1.084
  175    HA   PRO  26           HA       PRO  26  -0.094   8.786   4.538
  176   1HB   PRO  26          2HB       PRO  26   0.372  10.919   6.308
  177   2HB   PRO  26          3HB       PRO  26   1.530  10.192   5.180
  178   1HG   PRO  26          2HG       PRO  26  -0.057  12.717   4.878
  179   2HG   PRO  26          3HG       PRO  26   1.574  12.324   4.245
  180   1HD   PRO  26          2HD       PRO  26  -0.718  12.348   2.708
  181   2HD   PRO  26          3HD       PRO  26   0.711  11.336   2.340
  182    H    GLY  27           HN       GLY  27  -1.018   8.036   6.367
  183   1HA   GLY  27          2HA       GLY  27  -2.563   7.727   8.032
  184   2HA   GLY  27          3HA       GLY  27  -3.291   9.307   7.690
  185    H    THR  28           HN       THR  28  -2.911   7.035   4.913
  186    HA   THR  28           HA       THR  28  -5.856   6.798   4.921
  187    HB   THR  28           HB       THR  28  -3.685   6.090   2.893
  188    HG1  THR  28           HG1      THR  28  -3.930   8.284   2.966
  189   1HG2  THR  28          3HG2      THR  28  -6.731   6.004   2.752
  190   2HG2  THR  28          1HG2      THR  28  -5.662   5.918   1.329
  191   3HG2  THR  28          2HG2      THR  28  -5.572   4.666   2.578
  192    H    ASP  29           HN       ASP  29  -6.719   5.091   5.782
  193    HA   ASP  29           HA       ASP  29  -5.346   2.767   6.690
  194   1HB   ASP  29          2HB       ASP  29  -7.664   3.585   7.315
  195   2HB   ASP  29          3HB       ASP  29  -8.233   2.955   5.788
  196    H    PHE  30           HN       PHE  30  -4.871   0.953   5.637
  197    HA   PHE  30           HA       PHE  30  -4.505   0.807   2.828
  198   1HB   PHE  30          2HB       PHE  30  -3.541  -0.586   4.822
  199   2HB   PHE  30          3HB       PHE  30  -5.032  -1.518   4.768
  200    HD1  PHE  30           HD1      PHE  30  -2.558  -0.107   2.326
  201    HD2  PHE  30           HD2      PHE  30  -4.890  -3.539   3.477
  202    HE1  PHE  30           HE1      PHE  30  -1.420  -1.433   0.592
  203    HE2  PHE  30           HE2      PHE  30  -3.615  -4.915   1.906
  204    HZ   PHE  30           HZ       PHE  30  -1.906  -3.813   0.411
  205    H    LYS  31           HN       LYS  31  -7.426   0.138   4.806
  206    HA   LYS  31           HA       LYS  31  -8.618  -1.483   2.691
  207   1HB   LYS  31          2HB       LYS  31 -10.571  -1.505   3.973
  208   2HB   LYS  31          3HB       LYS  31  -9.188  -1.672   5.072
  209   1HG   LYS  31          2HG       LYS  31  -9.347   0.907   5.332
  210   2HG   LYS  31          3HG       LYS  31 -10.868   0.768   4.495
  211   1HD   LYS  31          2HD       LYS  31 -11.664  -0.806   6.277
  212   2HD   LYS  31          3HD       LYS  31 -10.061  -0.712   7.030
  213   1HE   LYS  31          2HE       LYS  31 -11.717   0.752   8.215
  214   2HE   LYS  31          3HE       LYS  31 -10.325   1.634   7.590
  215   1HZ   LYS  31          3HNZ      LYS  31 -11.632   2.361   5.718
  216   2HZ   LYS  31          1HNZ      LYS  31 -12.952   1.586   6.280
  217   3HZ   LYS  31          2HNZ      LYS  31 -12.276   2.844   7.113
  218    H    ASP  32           HN       ASP  32  -8.481   1.914   3.616
  219    HA   ASP  32           HA       ASP  32 -10.658   2.800   1.904
  220   1HB   ASP  32          2HB       ASP  32  -8.594   4.243   3.632
  221   2HB   ASP  32          3HB       ASP  32  -9.863   5.062   2.744
  222    H    ILE  33           HN       ILE  33  -7.252   2.117   1.433
  223    HA   ILE  33           HA       ILE  33  -6.599   3.932  -0.527
  224    HB   ILE  33           HB       ILE  33  -6.004   1.008  -0.227
  225   1HG1  ILE  33          2HG1      ILE  33  -4.699   3.597   0.658
  226   2HG1  ILE  33          3HG1      ILE  33  -5.255   2.332   1.680
  227   1HG2  ILE  33          1HG2      ILE  33  -5.507   1.724  -2.496
  228   2HG2  ILE  33          2HG2      ILE  33  -4.376   2.917  -1.792
  229   3HG2  ILE  33          3HG2      ILE  33  -4.146   1.163  -1.526
  230   1HD1  ILE  33          2HD1      ILE  33  -3.484   0.832   0.550
  231   2HD1  ILE  33          3HD1      ILE  33  -2.771   2.347  -0.060
  232   3HD1  ILE  33          1HD1      ILE  33  -2.945   2.087   1.680
  233    HA   PRO  34           HA       PRO  34  -9.679   2.758  -3.608
  234   1HB   PRO  34          2HB       PRO  34  -8.289   3.823  -5.844
  235   2HB   PRO  34          3HB       PRO  34  -9.485   4.653  -4.828
  236   1HG   PRO  34          2HG       PRO  34  -6.564   5.032  -4.934
  237   2HG   PRO  34          3HG       PRO  34  -7.783   6.041  -4.110
  238   1HD   PRO  34          2HD       PRO  34  -5.982   4.084  -2.955
  239   2HD   PRO  34          3HD       PRO  34  -7.124   5.129  -2.102
  240    H    ASP  35           HN       ASP  35  -9.897   0.948  -4.952
  241    HA   ASP  35           HA       ASP  35  -7.795  -0.958  -5.021
  242   1HB   ASP  35          2HB       ASP  35 -10.631  -0.716  -5.843
  243   2HB   ASP  35          3HB       ASP  35  -9.700  -1.524  -7.078
  244    H    ASP  36           HN       ASP  36  -8.382   1.809  -6.957
  245    HA   ASP  36           HA       ASP  36  -7.134   0.980  -9.406
  246   1HB   ASP  36          2HB       ASP  36  -8.543   3.227  -8.423
  247   2HB   ASP  36          3HB       ASP  36  -7.013   3.748  -9.142
  248    H    TRP  37           HN       TRP  37  -5.936   1.784  -6.276
  249    HA   TRP  37           HA       TRP  37  -3.492   3.103  -7.095
  250   1HB   TRP  37          2HB       TRP  37  -4.443   3.490  -4.909
  251   2HB   TRP  37          3HB       TRP  37  -4.380   1.769  -4.543
  252    HD1  TRP  37           HD       TRP  37  -1.889   4.677  -5.004
  253    HE1  TRP  37           HNE      TRP  37   0.185   4.156  -3.562
  254    HE3  TRP  37           HE       TRP  37  -3.034  -0.049  -3.658
  255    HZ2  TRP  37           HZ1      TRP  37   1.233   1.925  -2.052
  256    HZ3  TRP  37           HZ2      TRP  37  -1.464  -1.423  -2.246
  257    HH2  TRP  37           HH       TRP  37   0.656  -0.415  -1.432
  258    H    VAL  38           HN       VAL  38  -1.333   2.208  -6.667
  259    HA   VAL  38           HA       VAL  38  -1.030  -0.646  -7.348
  260    HB   VAL  38           HB       VAL  38   0.612   0.169  -9.045
  261   1HG1  VAL  38          3HG1      VAL  38  -1.742  -0.569  -9.610
  262   2HG1  VAL  38          1HG1      VAL  38  -2.233   1.131  -9.603
  263   3HG1  VAL  38          2HG1      VAL  38  -1.043   0.566 -10.786
  264   1HG2  VAL  38          3HG2      VAL  38   0.936   2.504  -8.241
  265   2HG2  VAL  38          1HG2      VAL  38   0.485   2.425  -9.950
  266   3HG2  VAL  38          2HG2      VAL  38  -0.723   2.895  -8.747
  267    H    CYS  39           HN       CYN  39   1.052  -1.452  -6.876
  268    HA   CYS  39           HA       CYN  39   2.169  -0.411  -4.441
  269   1HB   CYS  39          2HB       CYN  39   1.870  -2.718  -4.780
  270   2HB   CYS  39          3HB       CYN  39   2.781  -2.732  -6.281
  271    HA   PRO  40           HA       PRO  40   5.144   2.207  -6.540
  272   1HB   PRO  40          2HB       PRO  40   7.063   2.514  -4.572
  273   2HB   PRO  40          3HB       PRO  40   5.480   3.334  -4.544
  274   1HG   PRO  40          2HG       PRO  40   6.256   0.775  -3.131
  275   2HG   PRO  40          3HG       PRO  40   5.398   2.192  -2.451
  276   1HD   PRO  40          2HD       PRO  40   4.063  -0.004  -3.273
  277   2HD   PRO  40          3HD       PRO  40   3.395   1.626  -3.594
  278    H    LEU  41           HN       LEU  41   6.679   1.630  -8.006
  279    HA   LEU  41           HA       LEU  41   8.302   0.455  -9.104
  280   1HB   LEU  41          2HB       LEU  41   9.368  -0.109  -6.318
  281   2HB   LEU  41          3HB       LEU  41  10.284  -0.181  -7.827
  282    HG   LEU  41           HG       LEU  41   9.095   2.311  -6.520
  283   1HD1  LEU  41          2HD1      LEU  41  11.020   1.326  -5.328
  284   2HD1  LEU  41          3HD1      LEU  41  11.970   1.344  -6.827
  285   3HD1  LEU  41          1HD1      LEU  41  11.452   2.871  -6.081
  286   1HD2  LEU  41          1HD2      LEU  41  10.791   2.004  -9.043
  287   2HD2  LEU  41          2HD2      LEU  41   9.124   2.620  -8.955
  288   3HD2  LEU  41          3HD2      LEU  41  10.444   3.545  -8.229
  289    H    CYS  42           HN       CYN  42   6.036  -0.914  -9.042
  290    HA   CYS  42           HA       CYN  42   6.694  -3.715  -9.178
  291   1HB   CYS  42          2HB       CYN  42   6.312  -3.382  -6.768
  292   2HB   CYS  42          3HB       CYN  42   4.792  -2.572  -7.131
  293    H    GLY  43           HN       GLY  43   4.169  -4.641  -9.580
  294   1HA   GLY  43          2HA       GLY  43   3.192  -3.119 -11.916
  295   2HA   GLY  43          3HA       GLY  43   2.723  -4.748 -11.421
  296    H    VAL  44           HN       VAL  44   0.934  -5.021  -9.996
  297    HA   VAL  44           HA       VAL  44  -0.386  -2.650  -8.889
  298    HB   VAL  44           HB       VAL  44  -2.487  -3.030  -9.920
  299   1HG1  VAL  44          2HG1      VAL  44  -0.806  -1.775 -11.344
  300   2HG1  VAL  44          3HG1      VAL  44  -0.542  -3.277 -12.248
  301   3HG1  VAL  44          1HG1      VAL  44  -2.143  -2.516 -12.233
  302   1HG2  VAL  44          1HG2      VAL  44  -1.325  -5.493 -11.284
  303   2HG2  VAL  44          2HG2      VAL  44  -2.601  -5.463 -10.046
  304   3HG2  VAL  44          3HG2      VAL  44  -2.910  -4.775 -11.638
  305    H    GLY  45           HN       GLY  45  -2.054  -3.273  -7.334
  306   1HA   GLY  45          2HA       GLY  45  -3.164  -5.495  -6.531
  307   2HA   GLY  45          3HA       GLY  45  -1.504  -5.882  -6.032
  308    H    LYS  46           HN       LYS  46  -3.916  -5.400  -4.344
  309    HA   LYS  46           HA       LYS  46  -2.526  -4.061  -2.293
  310   1HB   LYS  46          2HB       LYS  46  -3.968  -2.254  -1.823
  311   2HB   LYS  46          3HB       LYS  46  -3.521  -2.108  -3.519
  312   1HG   LYS  46          2HG       LYS  46  -5.620  -2.491  -4.336
  313   2HG   LYS  46          3HG       LYS  46  -6.126  -3.501  -2.986
  314   1HD   LYS  46          2HD       LYS  46  -5.973  -0.497  -2.993
  315   2HD   LYS  46          3HD       LYS  46  -7.395  -1.557  -2.982
  316   1HE   LYS  46          2HE       LYS  46  -6.161  -2.548  -0.789
  317   2HE   LYS  46          3HE       LYS  46  -5.490  -0.953  -0.743
  318   1HZ   LYS  46          2HNZ      LYS  46  -7.912  -0.163  -0.911
  319   2HZ   LYS  46          3HNZ      LYS  46  -8.348  -1.727  -0.621
  320   3HZ   LYS  46          1HNZ      LYS  46  -7.449  -0.889   0.487
  321    H    ASP  47           HN       ASP  47  -4.291  -3.947  -0.382
  322    HA   ASP  47           HA       ASP  47  -5.790  -4.829   0.976
  323   1HB   ASP  47          2HB       ASP  47  -7.253  -4.488  -1.133
  324   2HB   ASP  47          3HB       ASP  47  -7.225  -6.241  -1.282
  325    H    GLN  48           HN       GLN  48  -5.311  -7.383  -1.432
  326    HA   GLN  48           HA       GLN  48  -5.268  -9.640   0.262
  327   1HB   GLN  48          2HB       GLN  48  -5.643  -9.685  -2.123
  328   2HB   GLN  48          3HB       GLN  48  -4.000  -9.119  -2.467
  329   1HG   GLN  48          2HG       GLN  48  -3.004 -11.141  -1.777
  330   2HG   GLN  48          3HG       GLN  48  -4.439 -11.663  -0.877
  331   1HE2  GLN  48          2HNE      GLN  48  -4.291 -13.700  -3.974
  332   2HE2  GLN  48          1HNE      GLN  48  -3.210 -13.436  -2.613
  333    H    PHE  49           HN       PHE  49  -2.837  -7.246  -0.275
  334    HA   PHE  49           HA       PHE  49  -0.371  -8.398   0.413
  335   1HB   PHE  49          2HB       PHE  49  -1.756  -5.826   1.184
  336   2HB   PHE  49          3HB       PHE  49  -0.138  -6.005   1.545
  337    HD1  PHE  49           HD1      PHE  49  -1.017  -7.488  -1.738
  338    HD2  PHE  49           HD2      PHE  49   0.509  -4.006   0.328
  339    HE1  PHE  49           HE1      PHE  49  -0.226  -6.568  -3.854
  340    HE2  PHE  49           HE2      PHE  49   1.324  -3.119  -1.840
  341    HZ   PHE  49           HZ       PHE  49   0.999  -4.449  -3.913
  342    H    GLU  50           HN       GLU  50   0.642  -8.953   2.487
  343    HA   GLU  50           HA       GLU  50  -1.313  -9.894   4.451
  344   1HB   GLU  50          2HB       GLU  50   1.732  -9.794   4.566
  345   2HB   GLU  50          3HB       GLU  50   0.676 -10.633   5.694
  346   1HG   GLU  50          2HG       GLU  50   1.061 -12.420   4.308
  347   2HG   GLU  50          3HG       GLU  50  -0.191 -11.669   3.307
  348    H    GLU  51           HN       GLU  51  -1.284  -9.168   6.794
  349    HA   GLU  51           HA       GLU  51  -0.844  -6.276   7.013
  350   1HB   GLU  51          2HB       GLU  51  -2.934  -7.213   7.857
  351   2HB   GLU  51          3HB       GLU  51  -2.054  -8.427   8.818
  352   1HG   GLU  51          2HG       GLU  51  -1.136  -6.877  10.223
  353   2HG   GLU  51          3HG       GLU  51  -1.577  -5.471   9.217
  354    H    VAL  52           HN       VAL  52   0.888  -5.430   8.136
  355    HA   VAL  52           HA       VAL  52   2.945  -7.242   9.221
  356    HB   VAL  52           HB       VAL  52   2.858  -4.411   8.105
  357   1HG1  VAL  52          2HG1      VAL  52   5.044  -5.621   9.858
  358   2HG1  VAL  52          3HG1      VAL  52   5.179  -4.110   8.920
  359   3HG1  VAL  52          1HG1      VAL  52   4.015  -4.224  10.248
  360   1HG2  VAL  52          1HG2      VAL  52   3.274  -6.213   6.583
  361   2HG2  VAL  52          2HG2      VAL  52   4.711  -5.193   6.789
  362   3HG2  VAL  52          3HG2      VAL  52   4.643  -6.791   7.570
  363    H    GLU  53           HN       GLU  53   2.602  -7.644  11.290
  364    HA   GLU  53           HA       GLU  53   0.887  -6.260  13.008
  365   1HB   GLU  53          2HB       GLU  53   1.712  -7.848  14.635
  366   2HB   GLU  53          3HB       GLU  53   1.193  -8.596  13.122
  367   1HG   GLU  53          2HG       GLU  53   3.651  -8.816  12.469
  368   2HG   GLU  53          3HG       GLU  53   4.067  -8.193  14.065
  369    H    GLU  54           HN       GLU  54   2.163  -4.231  12.395
  370    HA   GLU  54           HA       GLU  54   3.702  -3.361  14.824
  371   1HB   GLU  54          2HB       GLU  54   3.220  -1.845  12.230
  372   2HB   GLU  54          3HB       GLU  54   4.066  -1.248  13.661
  373   1HG   GLU  54          2HG       GLU  54   5.348  -3.721  12.975
  374   2HG   GLU  54          3HG       GLU  54   5.131  -2.824  11.470
   
  No H/Q in entry =         374