*HEADER    HYDROLASE                               10-JUL-06   2HLU              
*TITLE     SOLUTION STRUCTURE OF BACILLUS SUBTILIS ACYLPHOSPHATASE               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROBABLE ACYLPHOSPHATASE;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ACYLPHOSPHATE PHOSPHOHYDROLASE;                             
*COMPND   5 EC: 3.6.1.7;                                                         
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET-21A                                   
*KEYWDS    ALPHA/BETA SANDWICH                                                   
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    B.XIA, J.C.HU                                                         
*REVDAT   1   24-JUL-07 2HLU    0                                                

#
#   46 ALA  HN           45 LEU  HN          5.50    (#      1:15  Unique         3.86, 4.06 A)
 &rst
  ixpk= 1, nxpk= 15, iat= 762, 743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   33 TRP  HN           45 LEU  HN          4.50    (#      2:15  Unique         2.55, 2.73 A)
 &rst
  ixpk= 2, nxpk= 15, iat= 538, 743, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 TRP  HD1          45 LEU  HN          4.50    (#      3:15  Unique         3.13, 3.27 A)
 &rst
  ixpk= 3, nxpk= 15, iat= 546, 743, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 VAL  HA           45 LEU  HN          4.50    (#      4:15  Unique         3.61, 3.73 A)
 &rst
  ixpk= 4, nxpk= 15, iat= 564, 743, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ILE  HA           45 LEU  HN          2.80    (#      5:15  Unique         2.26, 2.28 A)
 &rst
  ixpk= 5, nxpk= 15, iat= 726, 743, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   45 LEU  HA           45 LEU  HN          4.50    (#      6:15  Unique         2.92, 2.93 A)
 &rst
  ixpk= 6, nxpk= 15, iat= 745, 743, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:7       45 LEU  HN          5.50    (#      7:15  Single Ambig)
 &rst
  ixpk= 7, nxpk= 15, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 728, 106,
 &end
#
#   44 ILE  QG2          45 LEU  HN          4.50    (#      8:15  Unique         2.35, 3.10 A)
 &rst
  ixpk= 8, nxpk= 15, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 730, 731, 732,
 &end
#
#    0 AMB  15-2:10      45 LEU  HN          4.50    (#     10:15  Single Ambig)
 &rst
  ixpk= 10, nxpk= 15, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 353, 354, 355, 357, 358, 359, 737, 738, 739,
 &end
#
#   45 LEU  QD+          45 LEU  HN          5.50    (#     12:15  Unique         4.70, 5.55 A)
 &rst
  ixpk= 12, nxpk= 15, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 752, 753, 754, 756, 757, 758,
 &end
#
#   45 LEU  HB+          45 LEU  HN          3.50    (#     13:15  Unique         2.91, 3.07 A)
 &rst
  ixpk= 13, nxpk= 15, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 747, 748,
 &end
#
#   45 LEU  HB-          45 LEU  HN          3.50    (#     14:15  Unique         2.91, 3.07 A)
 &rst
  ixpk= 14, nxpk= 15, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 747, 748,
 &end
#
#    0 AMB  15-2:15      45 LEU  HN          5.50    (#     15:15  Single Ambig)
 &rst
  ixpk= 15, nxpk= 15, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 724, 578,
 &end
#
#    0 AMB  15-2:17      45 LEU  HN          4.50    (#     17:15  Single Ambig)
 &rst
  ixpk= 17, nxpk= 15, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 568, 569, 570, 572, 573, 574, 588, 589,
 &end
#
#   33 TRP  HB+          33 TRP  HE1         5.50    (#     18:15  Unique         4.85, 5.09 A)
 &rst
  ixpk= 18, nxpk= 15, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 542, 543,
 &end
#
#    0 AMB  15-2:19      33 TRP  HE1         4.50    (#     19:15  Single Ambig)
 &rst
  ixpk= 19, nxpk= 15, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 588, 589, 750,
 &end
#
#   33 TRP  HD1          33 TRP  HE1         5.50    (#     23:15  Unique         2.56, 2.57 A)
 &rst
  ixpk= 23, nxpk= 15, iat= 546, 548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 TRP  HZ2          33 TRP  HE1         2.80    (#     24:15  Unique         2.83, 2.84 A)
 &rst
  ixpk= 24, nxpk= 15, iat= 551, 548, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   45 LEU  QD-          33 TRP  HE1         3.50    (#     26:15  Unique         3.79, 5.50 A)
 &rst
  ixpk= 26, nxpk= 15, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 752, 753, 754, 756, 757, 758,
 &end
#
#    0 AMB  15-2:27      33 TRP  HE1         3.50    (#     27:15  Single Ambig)
 &rst
  ixpk= 27, nxpk= 15, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 752, 753, 754, 756, 757, 758,1410,1411,1412,1414,
      1415,1416,
 &end
#
#   45 LEU  HB-          33 TRP  HE1         5.50    (#     29:15  Unique         2.64, 3.18 A)
 &rst
  ixpk= 29, nxpk= 15, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 747, 748,
 &end
#
#    5 ARG  HG+           6 ILE  HN          5.50    (#     30:15  Unique         2.50, 3.18 A)
 &rst
  ixpk= 30, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  85,  86,
 &end
#
#    0 AMB  15-2:31       6 ILE  HN          5.50    (#     31:15  Single Ambig)
 &rst
  ixpk= 31, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 752, 753, 754, 756, 757, 758,1170,1171,1172,1174,
      1175,1176, 961, 962, 963, 127, 128, 129,
 &end
#
#   45 LEU  HA            6 ILE  HN          4.50    (#     33:15  Unique         3.49, 3.55 A)
 &rst
  ixpk= 33, nxpk= 15, iat= 745, 102, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ILE  HN            6 ILE  HN          3.50    (#     34:15  Unique         2.71, 2.79 A)
 &rst
  ixpk= 34, nxpk= 15, iat= 724, 102, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:35       6 ILE  HN          5.50    (#     35:15  Single Ambig)
 &rst
  ixpk= 35, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  78,1180,
 &end
#
#    0 AMB  15-2:36       6 ILE  HN          2.80    (#     36:15  Single Ambig)
 &rst
  ixpk= 36, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  80, 104,
 &end
#
#    0 AMB  15-2:37       6 ILE  HN          2.80    (#     37:15  Single Ambig)
 &rst
  ixpk= 37, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 106, 728,
 &end
#
#    0 AMB  15-2:38       6 ILE  HN          3.50    (#     38:15  Single Ambig)
 &rst
  ixpk= 38, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 112, 113,  82,
 &end
#
#    0 AMB  15-2:39       6 ILE  HN          4.50    (#     39:15  Single Ambig)
 &rst
  ixpk= 39, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 750, 730, 731, 732, 131, 132, 734, 735,
 &end
#
#    6 ILE  HG1-          6 ILE  HN          3.50    (#     40:15  Unique         3.11, 3.63 A)
 &rst
  ixpk= 40, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 112, 113,
 &end
#
#    0 AMB  15-2:41       6 ILE  HN          5.50    (#     41:15  Single Ambig)
 &rst
  ixpk= 41, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 108, 109, 110, 737, 738, 739,
 &end
#
#   42 VAL  HN           43 GLU  HN          5.50    (#     43:15  Unique         4.38, 4.43 A)
 &rst
  ixpk= 43, nxpk= 15, iat= 693, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 VAL  HB           69 VAL  HN          3.50    (#     44:15  Unique         2.31, 2.43 A)
 &rst
  ixpk= 44, nxpk= 15, iat=1096,1092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:45      69 VAL  HN          3.50    (#     45:15  Single Ambig)
 &rst
  ixpk= 45, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#   68 LYS  HA           69 VAL  HN          2.80    (#     47:15  Unique         2.17, 2.24 A)
 &rst
  ixpk= 47, nxpk= 15, iat=1072,1092, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   69 VAL  HA           69 VAL  HN          4.50    (#     48:15  Unique         2.86, 2.88 A)
 &rst
  ixpk= 48, nxpk= 15, iat=1094,1092, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:49      69 VAL  HN          4.50    (#     49:15  Single Ambig)
 &rst
  ixpk= 49, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1074,1075, 179, 180,
 &end
#
#   37 ARG  HN           43 GLU  HN          5.50    (#     50:15  Unique         3.90, 4.03 A)
 &rst
  ixpk= 50, nxpk= 15, iat= 614, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 ASN  HA           43 GLU  HN          4.50    (#     51:15  Unique         3.29, 3.46 A)
 &rst
  ixpk= 51, nxpk= 15, iat= 602, 709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 GLU  HB+          43 GLU  HN          3.50    (#     52:15  Unique         2.54, 2.93 A)
 &rst
  ixpk= 52, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 713, 714,
 &end
#
#    0 AMB  15-2:53      43 GLU  HN          4.50    (#     53:15  Single Ambig)
 &rst
  ixpk= 53, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 585, 586, 621, 622,
 &end
#
#   35 LYS  HN           43 GLU  HN          3.50    (#     54:15  Unique         2.82, 2.91 A)
 &rst
  ixpk= 54, nxpk= 15, iat= 578, 709, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 GLU  HA           43 GLU  HN          4.50    (#     55:15  Unique         2.97, 2.98 A)
 &rst
  ixpk= 55, nxpk= 15, iat= 711, 709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:57      43 GLU  HN          5.50    (#     57:15  Single Ambig)
 &rst
  ixpk= 57, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 716, 717, 566,
 &end
#
#   43 GLU  HB-          43 GLU  HN          3.50    (#     58:15  Unique         2.54, 2.93 A)
 &rst
  ixpk= 58, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 713, 714,
 &end
#
#    0 AMB  15-2:59      43 GLU  HN          5.50    (#     59:15  Single Ambig)
 &rst
  ixpk= 59, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 621, 622, 697,
 &end
#
#    0 AMB  15-2:60      43 GLU  HN          3.50    (#     60:15  Single Ambig)
 &rst
  ixpk= 60, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705,
 &end
#
#   42 VAL  HN            8 VAL  HN          3.50    (#     61:15  Unique         2.60, 2.69 A)
 &rst
  ixpk= 61, nxpk= 15, iat= 693, 140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:62       8 VAL  HN          3.50    (#     62:15  Single Ambig)
 &rst
  ixpk= 62, nxpk= 15, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 697, 125,
 &end
#
#    0 AMB  15-2:63       8 VAL  HN          2.80    (#     63:15  Single Ambig)
 &rst
  ixpk= 63, nxpk= 15, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 146, 147, 148, 150, 151, 152, 737, 738, 739,
 &end
#
#   41 ARG  HG+           8 VAL  HN          5.50    (#     64:15  Unique         3.41, 4.31 A)
 &rst
  ixpk= 64, nxpk= 15, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 676, 677,
 &end
#
#    7 ILE  HN            8 VAL  HN          4.50    (#     65:15  Unique         4.34, 4.38 A)
 &rst
  ixpk= 65, nxpk= 15, iat= 121, 140, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 VAL  HA            8 VAL  HN          4.50    (#     66:15  Unique         2.97, 2.99 A)
 &rst
  ixpk= 66, nxpk= 15, iat= 142, 140, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 VAL  HB            8 VAL  HN          3.50    (#     67:15  Unique         2.71, 2.84 A)
 &rst
  ixpk= 67, nxpk= 15, iat= 144, 140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:68       8 VAL  HN          3.50    (#     68:15  Single Ambig)
 &rst
  ixpk= 68, nxpk= 15, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 131, 132, 699, 700, 701, 703, 704, 705, 699, 700,
       701, 703, 704, 705,
 &end
#
#    8 VAL  QG+           8 VAL  HN          4.50    (#     69:15  Unique         2.61, 4.17 A)
 &rst
  ixpk= 69, nxpk= 15, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 146, 147, 148, 150, 151, 152,
 &end
#
#   43 GLU  HA            8 VAL  HN          5.50    (#     70:15  Unique         3.70, 3.80 A)
 &rst
  ixpk= 70, nxpk= 15, iat= 711, 140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 ILE  HA            8 VAL  HN          2.80    (#     71:15  Unique         2.25, 2.29 A)
 &rst
  ixpk= 71, nxpk= 15, iat= 123, 140, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    7 ILE  QG2           8 VAL  HN          3.50    (#     72:15  Unique         2.54, 3.25 A)
 &rst
  ixpk= 72, nxpk= 15, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 127, 128, 129,
 &end
#
#   12 VAL  HN           11 ARG  HN          5.50    (#     73:15  Unique         3.79, 3.86 A)
 &rst
  ixpk= 73, nxpk= 15, iat= 199, 175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 GLY  HA+          11 ARG  HN          2.80    (#     74:15  Unique         2.21, 2.57 A)
 &rst
  ixpk= 74, nxpk= 15, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 170, 171,
 &end
#
#   11 ARG  HA           11 ARG  HN          3.50    (#     75:15  Unique         2.96, 2.97 A)
 &rst
  ixpk= 75, nxpk= 15, iat= 177, 175, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:76      11 ARG  HN          5.50    (#     76:15  Single Ambig)
 &rst
  ixpk= 76, nxpk= 15, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094, 201,
 &end
#
#   10 GLY  HA-          11 ARG  HN          3.50    (#     77:15  Unique         2.21, 2.57 A)
 &rst
  ixpk= 77, nxpk= 15, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 170, 171,
 &end
#
#    0 AMB  15-2:78      11 ARG  HN          2.80    (#     78:15  Single Ambig)
 &rst
  ixpk= 78, nxpk= 15, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 179, 180,1074,1075,
 &end
#
#   11 ARG  HG+          11 ARG  HN          4.50    (#     79:15  Unique         4.31, 4.52 A)
 &rst
  ixpk= 79, nxpk= 15, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 182, 183,
 &end
#
#   12 VAL  QG+          11 ARG  HN          3.50    (#     80:15  Unique         3.17, 4.99 A)
 &rst
  ixpk= 80, nxpk= 15, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   68 LYS  HN           11 ARG  HN          4.50    (#     82:15  Unique         3.28, 3.35 A)
 &rst
  ixpk= 82, nxpk= 15, iat=1070, 175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 ARG  HB+          11 ARG  HN          3.50    (#     83:15  Unique         2.28, 2.62 A)
 &rst
  ixpk= 83, nxpk= 15, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 179, 180,
 &end
#
#   10 GLY  HN           11 ARG  HN          4.50    (#     84:15  Unique         4.40, 4.45 A)
 &rst
  ixpk= 84, nxpk= 15, iat= 168, 175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 THR  QG2          11 ARG  HN          4.50    (#     85:15  Unique         3.09, 4.18 A)
 &rst
  ixpk= 85, nxpk= 15, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1114,1115,1116,
 &end
#
#    4 TYR  HN           46 ALA  HN          4.50    (#     88:15  Unique         2.76, 2.83 A)
 &rst
  ixpk= 88, nxpk= 15, iat=  57, 762, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 ILE  HN           46 ALA  HN          5.50    (#     90:15  Unique         5.13, 5.23 A)
 &rst
  ixpk= 90, nxpk= 15, iat= 102, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ARG  HA           46 ALA  HN          4.50    (#     91:15  Unique         3.63, 3.76 A)
 &rst
  ixpk= 91, nxpk= 15, iat=  80, 762, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 LEU  HB+          46 ALA  HN          4.50    (#     92:15  Unique         4.09, 4.35 A)
 &rst
  ixpk= 92, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 747, 748,
 &end
#
#   45 LEU  HB-          46 ALA  HN          5.50    (#     93:15  Unique         4.09, 4.35 A)
 &rst
  ixpk= 93, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 747, 748,
 &end
#
#   34 VAL  HN           89 VAL  HN          4.50    (#     95:15  Unique         3.18, 3.30 A)
 &rst
  ixpk= 95, nxpk= 15, iat= 562,1404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 LYS  HA           89 VAL  HN          4.50    (#     96:15  Unique         3.17, 3.31 A)
 &rst
  ixpk= 96, nxpk= 15, iat= 580,1404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88 ILE  HA           89 VAL  HN          2.80    (#     97:15  Unique         2.14, 2.17 A)
 &rst
  ixpk= 97, nxpk= 15, iat=1387,1404, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   89 VAL  HA           89 VAL  HN          3.50    (#     98:15  Unique         2.94, 2.96 A)
 &rst
  ixpk= 98, nxpk= 15, iat=1406,1404, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   89 VAL  HB           89 VAL  HN          3.50    (#     99:15  Unique         2.36, 2.42 A)
 &rst
  ixpk= 99, nxpk= 15, iat=1408,1404, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:100     89 VAL  HN          4.50    (#    100:15  Single Ambig)
 &rst
  ixpk= 100, nxpk= 15, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1389, 289, 290,
 &end
#
#   89 VAL  QG+          89 VAL  HN          3.50    (#    101:15  Unique         2.42, 3.93 A)
 &rst
  ixpk= 101, nxpk= 15, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   89 VAL  QG-          89 VAL  HN          2.80    (#    102:15  Unique         2.42, 3.93 A)
 &rst
  ixpk= 102, nxpk= 15, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   88 ILE  QG2          89 VAL  HN          3.50    (#    103:15  Unique         3.03, 3.66 A)
 &rst
  ixpk= 103, nxpk= 15, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1391,1392,1393,
 &end
#
#    0 AMB  15-2:104      4 TYR  HN          5.50    (#    104:15  Single Ambig)
 &rst
  ixpk= 104, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  78,  52,  53,
 &end
#
#    0 AMB  15-2:105      4 TYR  HN          5.50    (#    105:15  Single Ambig)
 &rst
  ixpk= 105, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  40, 743,
 &end
#
#   46 ALA  HA           46 ALA  HN          3.50    (#    106:15  Unique         2.96, 2.98 A)
 &rst
  ixpk= 106, nxpk= 15, iat= 764, 762, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 LEU  HA           46 ALA  HN          2.80    (#    107:15  Unique         2.19, 2.24 A)
 &rst
  ixpk= 107, nxpk= 15, iat= 745, 762, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-2:108     46 ALA  HN          5.50    (#    108:15  Single Ambig)
 &rst
  ixpk= 108, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 750, 730, 731, 732,
 &end
#
#   46 ALA  QB           46 ALA  HN          3.50    (#    109:15  Unique         2.60, 3.26 A)
 &rst
  ixpk= 109, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 766, 767, 768,
 &end
#
#   45 LEU  QD-          46 ALA  HN          4.50    (#    110:15  Unique         2.34, 4.64 A)
 &rst
  ixpk= 110, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 752, 753, 754, 756, 757, 758,
 &end
#
#   45 LEU  QD+          46 ALA  HN          4.50    (#    111:15  Unique         2.34, 4.64 A)
 &rst
  ixpk= 111, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 752, 753, 754, 756, 757, 758,
 &end
#
#   45 LEU  HN           46 ALA  HN          5.50    (#    112:15  Unique         3.86, 4.06 A)
 &rst
  ixpk= 112, nxpk= 15, iat= 743, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 VAL  QG+          89 VAL  HN          4.50    (#    113:15  Unique         3.49, 5.04 A)
 &rst
  ixpk= 113, nxpk= 15, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  15-2:114      4 TYR  HN          4.50    (#    114:15  Single Ambig)
 &rst
  ixpk= 114, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  65,  74,  52,  53,
 &end
#
#    3 GLN  HB3           4 TYR  HN          5.50    (#    115:15  Unique         3.56, 3.75 A)
 &rst
  ixpk= 115, nxpk= 15, iat=  45,  57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ALA  HN            4 TYR  HN          4.50    (#    116:15  Unique         2.76, 2.83 A)
 &rst
  ixpk= 116, nxpk= 15, iat= 762,  57, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 TYR  HA            4 TYR  HN          3.50    (#    117:15  Unique         2.93, 2.94 A)
 &rst
  ixpk= 117, nxpk= 15, iat=  59,  57, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 GLN  HA            4 TYR  HN          2.80    (#    119:15  Unique         2.30, 2.35 A)
 &rst
  ixpk= 119, nxpk= 15, iat=  42,  57, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    4 TYR  HB2           4 TYR  HN          4.50    (#    120:15  Unique         3.88, 3.91 A)
 &rst
  ixpk= 120, nxpk= 15, iat=  61,  57, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 TYR  HB3           4 TYR  HN          5.50    (#    121:15  Unique         3.50, 3.58 A)
 &rst
  ixpk= 121, nxpk= 15, iat=  62,  57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 GLN  HG-           4 TYR  HN          4.50    (#    122:15  Unique         2.37, 2.97 A)
 &rst
  ixpk= 122, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  47,  48,
 &end
#
#    0 AMB  15-2:123      4 TYR  HN          5.50    (#    123:15  Single Ambig)
 &rst
  ixpk= 123, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  44,1281,1282,
 &end
#
#    3 GLN  HG+           4 TYR  HN          4.50    (#    124:15  Unique         2.37, 2.97 A)
 &rst
  ixpk= 124, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  47,  48,
 &end
#
#    0 AMB  15-2:125      4 TYR  HN          5.50    (#    125:15  Single Ambig)
 &rst
  ixpk= 125, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 766, 767, 768,  30,  31,  32,  34,  35,  36,  30,
        31,  32,  34,  35,  36,
 &end
#
#   53 LEU  QD+           4 TYR  HN          4.50    (#    126:15  Unique         3.00, 4.72 A)
 &rst
  ixpk= 126, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   53 LEU  QD-           4 TYR  HN          4.50    (#    127:15  Unique         3.00, 4.72 A)
 &rst
  ixpk= 127, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   76 GLU  HA           76 GLU  HN          4.50    (#    128:15  Unique         2.93, 2.97 A)
 &rst
  ixpk= 128, nxpk= 15, iat=1196,1194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 THR  HA           76 GLU  HN          2.80    (#    130:15  Unique         2.33, 2.43 A)
 &rst
  ixpk= 130, nxpk= 15, iat=1182,1194, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   76 GLU  QB           76 GLU  HN          2.80    (#    131:15  Unique         2.29, 3.14 A)
 &rst
  ixpk= 131, nxpk= 15, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1198,1199,
 &end
#
#   75 THR  QG2          76 GLU  HN          4.50    (#    132:15  Unique         2.17, 3.23 A)
 &rst
  ixpk= 132, nxpk= 15, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1186,1187,1188,
 &end
#
#    8 VAL  HN            7 ILE  HN          4.50    (#    133:15  Unique         4.34, 4.38 A)
 &rst
  ixpk= 133, nxpk= 15, iat= 140, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 SER  HN            7 ILE  HN          3.50    (#    134:15  Unique         2.76, 2.79 A)
 &rst
  ixpk= 134, nxpk= 15, iat=1153, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 ILE  HA            7 ILE  HN          2.80    (#    135:15  Unique         2.21, 2.24 A)
 &rst
  ixpk= 135, nxpk= 15, iat= 104, 121, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   74 VAL  HA            7 ILE  HN          4.50    (#    136:15  Unique         3.71, 3.77 A)
 &rst
  ixpk= 136, nxpk= 15, iat=1166, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 SER  QB            7 ILE  HN          4.50    (#    137:15  Unique         3.09, 3.87 A)
 &rst
  ixpk= 137, nxpk= 15, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1157,1158,
 &end
#
#    7 ILE  HB            7 ILE  HN          4.50    (#    138:15  Unique         2.63, 2.72 A)
 &rst
  ixpk= 138, nxpk= 15, iat= 125, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 ILE  QG2           7 ILE  HN          2.80    (#    141:15  Unique         2.71, 3.27 A)
 &rst
  ixpk= 141, nxpk= 15, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 108, 109, 110,
 &end
#
#    6 ILE  HN            7 ILE  HN          4.50    (#    142:15  Unique         4.34, 4.36 A)
 &rst
  ixpk= 142, nxpk= 15, iat= 102, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 THR  HB           76 GLU  HN          5.50    (#    144:15  Unique         2.85, 3.44 A)
 &rst
  ixpk= 144, nxpk= 15, iat=1184,1194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 VAL  QG+          76 GLU  HN          4.50    (#    145:15  Unique         4.59, 6.89 A)
 &rst
  ixpk= 145, nxpk= 15, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#    0 AMB  15-2:146     44 ILE  HN          4.50    (#    146:15  Single Ambig)
 &rst
  ixpk= 146, nxpk= 15, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 134, 135, 136, 127, 128, 129,
 &end
#
#    6 ILE  HN           44 ILE  HN          3.50    (#    147:15  Unique         2.71, 2.79 A)
 &rst
  ixpk= 147, nxpk= 15, iat= 102, 724, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 GLU  HA           44 ILE  HN          2.80    (#    148:15  Unique         2.17, 2.18 A)
 &rst
  ixpk= 148, nxpk= 15, iat= 711, 724, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    7 ILE  HA           44 ILE  HN          5.50    (#    149:15  Unique         3.60, 3.63 A)
 &rst
  ixpk= 149, nxpk= 15, iat= 123, 724, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:150      0 AMB  15-1:150    4.50    (#    150:15  Double Ambig)
 &rst
  ixpk= 150, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 713, 714, 713, 714,
 igr2= 578, 724,
 &end
#
#   43 GLU  HB-           0 AMB  15-1:151    4.50    (#    151:15  Single Ambig)
 &rst
  ixpk= 151, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 713, 714,
 igr2= 578, 724,
 &end
#
#    0 AMB  15-2:152     44 ILE  HN          2.80    (#    152:15  Single Ambig)
 &rst
  ixpk= 152, nxpk= 15, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 728, 106,
 &end
#
#   44 ILE  QD1          44 ILE  HN          3.50    (#    153:15  Unique         2.45, 3.36 A)
 &rst
  ixpk= 153, nxpk= 15, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 737, 738, 739,
 &end
#
#   74 VAL  HA           74 VAL  HN          4.50    (#    155:15  Unique         2.95, 2.97 A)
 &rst
  ixpk= 155, nxpk= 15, iat=1166,1164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 SER  QB           74 VAL  HN          4.50    (#    156:15  Unique         3.02, 3.64 A)
 &rst
  ixpk= 156, nxpk= 15, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1157,1158,
 &end
#
#   74 VAL  HB           74 VAL  HN          2.80    (#    157:15  Unique         2.59, 2.71 A)
 &rst
  ixpk= 157, nxpk= 15, iat=1168,1164, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   74 VAL  QG-          74 VAL  HN          2.80    (#    158:15  Unique         2.00, 4.06 A)
 &rst
  ixpk= 158, nxpk= 15, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   74 VAL  QG+          74 VAL  HN          4.50    (#    159:15  Unique         2.00, 4.06 A)
 &rst
  ixpk= 159, nxpk= 15, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   43 GLU  HN            0 AMB  15-1:160    3.50    (#    160:15  Single Ambig)
 &rst
  ixpk= 160, nxpk= 15, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 578, 724,
 &end
#
#    0 AMB  15-2:161      0 AMB  15-1:161    4.50    (#    161:15  Double Ambig)
 &rst
  ixpk= 161, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 743,1404,
 igr2= 724, 578,
 &end
#
#   33 TRP  HD1           0 AMB  15-1:162    3.50    (#    162:15  Single Ambig)
 &rst
  ixpk= 162, nxpk= 15, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 578, 724,
 &end
#
#   34 VAL  HA           35 LYS  HN          2.80    (#    164:15  Unique         2.21, 2.23 A)
 &rst
  ixpk= 164, nxpk= 15, iat= 564, 578, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-2:165      0 AMB  15-1:165    3.50    (#    165:15  Double Ambig)
 &rst
  ixpk= 165, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 580, 726,
 igr2= 578, 724,
 &end
#
#   43 GLU  HG+          44 ILE  HN          3.50    (#    166:15  Unique         2.34, 2.91 A)
 &rst
  ixpk= 166, nxpk= 15, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 716, 717,
 &end
#
#   35 LYS  HB3          35 LYS  HN          4.50    (#    167:15  Unique         3.14, 3.23 A)
 &rst
  ixpk= 167, nxpk= 15, iat= 583, 578, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 LYS  HG+          35 LYS  HN          4.50    (#    168:15  Unique         2.29, 2.94 A)
 &rst
  ixpk= 168, nxpk= 15, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 585, 586,
 &end
#
#    0 AMB  15-2:169      0 AMB  15-1:169    2.80    (#    169:15  Double Ambig)
 &rst
  ixpk= 169, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 568, 569, 570, 572, 573, 574, 699, 700, 701, 703,
       704, 705, 734, 735, 699, 700, 701, 703, 704, 705,
      
 igr2= 578, 724,
 &end
#
#   91 SER  HN           90 TYR  HN          4.50    (#    170:15  Unique         1.98, 2.56 A)
 &rst
  ixpk= 170, nxpk= 15, iat=1441,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 TYR  QD           90 TYR  HN          3.50    (#    171:15  Unique         4.57, 4.72 A)
 &rst
  ixpk= 171, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1428,1437,
 &end
#
#   90 TYR  HA           90 TYR  HN          3.50    (#    172:15  Unique         2.83, 2.88 A)
 &rst
  ixpk= 172, nxpk= 15, iat=1422,1420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   89 VAL  HA           90 TYR  HN          2.80    (#    174:15  Unique         2.19, 2.25 A)
 &rst
  ixpk= 174, nxpk= 15, iat=1406,1420, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   90 TYR  HB2          90 TYR  HN          4.50    (#    175:15  Unique         2.40, 2.52 A)
 &rst
  ixpk= 175, nxpk= 15, iat=1424,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 TYR  HB3          90 TYR  HN          4.50    (#    176:15  Unique         2.43, 2.48 A)
 &rst
  ixpk= 176, nxpk= 15, iat=1425,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 VAL  QG-          90 TYR  HN          4.50    (#    177:15  Unique         2.78, 4.29 A)
 &rst
  ixpk= 177, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   34 VAL  QG+          35 LYS  HN          4.50    (#    178:15  Unique         2.57, 4.07 A)
 &rst
  ixpk= 178, nxpk= 15, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#   70 THR  HN            9 ASP  HN          5.50    (#    179:15  Unique         3.64, 3.81 A)
 &rst
  ixpk= 179, nxpk= 15, iat=1108, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 VAL  HN            9 ASP  HN          5.50    (#    181:15  Unique         4.33, 4.36 A)
 &rst
  ixpk= 181, nxpk= 15, iat= 140, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 ASP  HN            9 ASP  HN          3.50    (#    183:15  Unique         2.74, 2.88 A)
 &rst
  ixpk= 183, nxpk= 15, iat=1122, 156, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:184      9 ASP  HN          3.50    (#    184:15  Single Ambig)
 &rst
  ixpk= 184, nxpk= 15, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 158,1136,
 &end
#
#    8 VAL  HA            9 ASP  HN          2.80    (#    185:15  Unique         2.17, 2.23 A)
 &rst
  ixpk= 185, nxpk= 15, iat= 142, 156, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-2:186      9 ASP  HN          3.50    (#    186:15  Single Ambig)
 &rst
  ixpk= 186, nxpk= 15, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 161,1126,1127,
 &end
#
#    9 ASP  HB2           9 ASP  HN          3.50    (#    187:15  Unique         2.81, 2.97 A)
 &rst
  ixpk= 187, nxpk= 15, iat= 160, 156, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 VAL  HB            9 ASP  HN          4.50    (#    188:15  Unique         3.82, 3.90 A)
 &rst
  ixpk= 188, nxpk= 15, iat= 144, 156, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 VAL  QG+           9 ASP  HN          4.50    (#    189:15  Unique         2.48, 4.23 A)
 &rst
  ixpk= 189, nxpk= 15, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 146, 147, 148, 150, 151, 152,
 &end
#
#    0 AMB  15-2:190      9 ASP  HN          4.50    (#    190:15  Single Ambig)
 &rst
  ixpk= 190, nxpk= 15, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 146, 147, 148, 150, 151, 152,1098,1099,1100,1102,
      1103,1104,1098,1099,1100,1102,1103,1104,
 &end
#
#    0 AMB  15-2:191      9 ASP  HN          4.50    (#    191:15  Single Ambig)
 &rst
  ixpk= 191, nxpk= 15, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1140,1141,1142, 127, 128, 129,
 &end
#
#   87 SER  HN           86 PHE  HN          4.50    (#    194:15  Unique         4.15, 4.41 A)
 &rst
  ixpk= 194, nxpk= 15, iat=1374,1354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 PHE  HA           86 PHE  HN          4.50    (#    195:15  Unique         2.92, 2.97 A)
 &rst
  ixpk= 195, nxpk= 15, iat=1356,1354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   85 ARG  HA           86 PHE  HN          2.80    (#    196:15  Unique         2.43, 2.71 A)
 &rst
  ixpk= 196, nxpk= 15, iat=1332,1354, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   86 PHE  HB3          86 PHE  HN          3.50    (#    197:15  Unique         2.53, 2.71 A)
 &rst
  ixpk= 197, nxpk= 15, iat=1359,1354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 PHE  HB2          86 PHE  HN          3.50    (#    198:15  Unique         2.55, 2.81 A)
 &rst
  ixpk= 198, nxpk= 15, iat=1358,1354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   85 ARG  QB           86 PHE  HN          2.80    (#    199:15  Unique         1.88, 2.91 A)
 &rst
  ixpk= 199, nxpk= 15, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1334,1335,
 &end
#
#   85 ARG  HG+          86 PHE  HN          4.50    (#    200:15  Unique         2.67, 4.26 A)
 &rst
  ixpk= 200, nxpk= 15, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1337,1338,
 &end
#
#   32 GLY  HN           86 PHE  HN          4.50    (#    201:15  Unique         4.17, 4.43 A)
 &rst
  ixpk= 201, nxpk= 15, iat= 531,1354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   85 ARG  HG-          86 PHE  HN          4.50    (#    202:15  Unique         2.67, 4.26 A)
 &rst
  ixpk= 202, nxpk= 15, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1337,1338,
 &end
#
#   79 SER  HN           80 LEU  HN          4.50    (#    203:15  Unique         2.79, 3.32 A)
 &rst
  ixpk= 203, nxpk= 15, iat=1244,1255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:204     80 LEU  HN          5.50    (#    204:15  Single Ambig)
 &rst
  ixpk= 204, nxpk= 15, iat=  -1,1255, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1227,1228,1224,1225,
 &end
#
#   79 SER  HA           80 LEU  HN          2.80    (#    208:15  Unique         2.37, 3.06 A)
 &rst
  ixpk= 208, nxpk= 15, iat=1246,1255, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   80 LEU  HA           80 LEU  HN          3.50    (#    209:15  Unique         2.10, 2.47 A)
 &rst
  ixpk= 209, nxpk= 15, iat=1257,1255, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 SER  HB2          80 LEU  HN          5.50    (#    210:15  Unique         2.00, 3.53 A)
 &rst
  ixpk= 210, nxpk= 15, iat=1248,1255, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 SER  HB3          80 LEU  HN          4.50    (#    211:15  Unique         3.14, 4.11 A)
 &rst
  ixpk= 211, nxpk= 15, iat=1249,1255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 LEU  QB           80 LEU  HN          3.50    (#    212:15  Unique         2.66, 3.34 A)
 &rst
  ixpk= 212, nxpk= 15, iat=  -1,1255, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1259,1260,
 &end
#
#   80 LEU  QD+          80 LEU  HN          4.50    (#    213:15  Unique         2.83, 5.17 A)
 &rst
  ixpk= 213, nxpk= 15, iat=  -1,1255, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1264,1265,1266,1268,1269,1270,
 &end
#
#   53 LEU  HG           52 ALA  HN          5.50    (#    215:15  Unique         4.41, 4.65 A)
 &rst
  ixpk= 215, nxpk= 15, iat= 854, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 ASN  HN           52 ALA  HN          4.50    (#    216:15  Unique         2.26, 2.75 A)
 &rst
  ixpk= 216, nxpk= 15, iat= 823, 837, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 GLN  HN           52 ALA  HN          4.50    (#    217:15  Unique         3.64, 4.13 A)
 &rst
  ixpk= 217, nxpk= 15, iat= 866, 837, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  HN           52 ALA  HN          3.50    (#    218:15  Unique         1.98, 2.50 A)
 &rst
  ixpk= 218, nxpk= 15, iat= 847, 837, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:220     52 ALA  HN          4.50    (#    220:15  Single Ambig)
 &rst
  ixpk= 220, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 825, 804,
 &end
#
#   52 ALA  HA           52 ALA  HN          3.50    (#    221:15  Unique         2.86, 2.89 A)
 &rst
  ixpk= 221, nxpk= 15, iat= 839, 837, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 ASN  QB           52 ALA  HN          4.50    (#    222:15  Unique         2.43, 3.37 A)
 &rst
  ixpk= 222, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 827, 828,
 &end
#
#   49 PRO  HG+          52 ALA  HN          4.50    (#    223:15  Unique         2.76, 3.80 A)
 &rst
  ixpk= 223, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 798, 799,
 &end
#
#   49 PRO  HG-          52 ALA  HN          4.50    (#    224:15  Unique         2.76, 3.80 A)
 &rst
  ixpk= 224, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 798, 799,
 &end
#
#   52 ALA  QB           52 ALA  HN          2.80    (#    225:15  Unique         2.48, 2.96 A)
 &rst
  ixpk= 225, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 841, 842, 843,
 &end
#
#   30 LEU  QD-          52 ALA  HN          5.50    (#    226:15  Unique         5.20, 6.98 A)
 &rst
  ixpk= 226, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   50 GLU  HN           52 ALA  HN          5.50    (#    227:15  Unique         4.40, 4.56 A)
 &rst
  ixpk= 227, nxpk= 15, iat= 808, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 GLN  HE2+         81 GLU  HN          4.50    (#    228:15  Unique         4.41, 5.74 A)
 &rst
  ixpk= 228, nxpk= 15, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  52,  53,
 &end
#
#   80 LEU  HA           81 GLU  HN          3.50    (#    229:15  Unique         2.14, 2.55 A)
 &rst
  ixpk= 229, nxpk= 15, iat=1257,1274, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 GLU  HA           81 GLU  HN          4.50    (#    230:15  Unique         2.73, 2.93 A)
 &rst
  ixpk= 230, nxpk= 15, iat=1276,1274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 GLU  QB           81 GLU  HN          3.50    (#    231:15  Unique         2.18, 3.07 A)
 &rst
  ixpk= 231, nxpk= 15, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1278,1279,
 &end
#
#   80 LEU  QB           81 GLU  HN          3.50    (#    232:15  Unique         2.02, 3.13 A)
 &rst
  ixpk= 232, nxpk= 15, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1259,1260,
 &end
#
#   80 LEU  QD-          81 GLU  HN          5.50    (#    233:15  Unique         1.78, 3.59 A)
 &rst
  ixpk= 233, nxpk= 15, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1264,1265,1266,1268,1269,1270,
 &end
#
#   82 GLY  HN           81 GLU  HN          3.50    (#    234:15  Unique         2.40, 3.91 A)
 &rst
  ixpk= 234, nxpk= 15, iat=1289,1274, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 GLN  HE2-         81 GLU  HN          4.50    (#    235:15  Unique         4.41, 5.74 A)
 &rst
  ixpk= 235, nxpk= 15, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  52,  53,
 &end
#
#   81 GLU  HG-          81 GLU  HN          4.50    (#    236:15  Unique         2.50, 4.24 A)
 &rst
  ixpk= 236, nxpk= 15, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1281,1282,
 &end
#
#   26 ASP  HN           25 ALA  HN          4.50    (#    238:15  Unique         2.47, 2.60 A)
 &rst
  ixpk= 238, nxpk= 15, iat= 422, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 GLU  HN           25 ALA  HN          4.50    (#    239:15  Unique         2.70, 2.76 A)
 &rst
  ixpk= 239, nxpk= 15, iat= 397, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:240     25 ALA  HN          5.50    (#    240:15  Single Ambig)
 &rst
  ixpk= 240, nxpk= 15, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 902, 910, 456,
 &end
#
#   24 GLU  HA           25 ALA  HN          5.50    (#    241:15  Unique         3.55, 3.59 A)
 &rst
  ixpk= 241, nxpk= 15, iat= 399, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 ALA  HA           25 ALA  HN          4.50    (#    242:15  Unique         2.80, 2.86 A)
 &rst
  ixpk= 242, nxpk= 15, iat= 414, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 GLU  HB3          25 ALA  HN          4.50    (#    243:15  Unique         3.56, 3.81 A)
 &rst
  ixpk= 243, nxpk= 15, iat= 402, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:244     25 ALA  HN          4.50    (#    244:15  Single Ambig)
 &rst
  ixpk= 244, nxpk= 15, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 404, 405, 444, 445,
 &end
#
#   25 ALA  QB           25 ALA  HN          2.80    (#    245:15  Unique         2.41, 2.90 A)
 &rst
  ixpk= 245, nxpk= 15, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 416, 417, 418,
 &end
#
#   22 GLN  HA           25 ALA  HN          4.50    (#    247:15  Unique         3.18, 3.33 A)
 &rst
  ixpk= 247, nxpk= 15, iat= 365, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 VAL  HA           25 ALA  HN          4.50    (#    248:15  Unique         3.92, 4.09 A)
 &rst
  ixpk= 248, nxpk= 15, iat= 349, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 GLU  HB2          25 ALA  HN          3.50    (#    249:15  Unique         2.60, 2.94 A)
 &rst
  ixpk= 249, nxpk= 15, iat= 401, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 VAL  QG+          25 ALA  HN          5.50    (#    250:15  Unique         4.44, 6.01 A)
 &rst
  ixpk= 250, nxpk= 15, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#    0 AMB  15-2:251     25 ALA  HN          5.50    (#    251:15  Single Ambig)
 &rst
  ixpk= 251, nxpk= 15, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 404, 405, 730, 731, 732,
 &end
#
#   49 PRO  HA           50 GLU  HN          3.50    (#    253:15  Unique         2.15, 2.21 A)
 &rst
  ixpk= 253, nxpk= 15, iat= 804, 808, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 GLU  HA           50 GLU  HN          4.50    (#    254:15  Unique         2.74, 2.76 A)
 &rst
  ixpk= 254, nxpk= 15, iat= 810, 808, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:255     50 GLU  HN          2.80    (#    255:15  Single Ambig)
 &rst
  ixpk= 255, nxpk= 15, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 812, 813, 801, 802,
 &end
#
#   87 SER  HB3          87 SER  HN          4.50    (#    258:15  Unique         3.54, 3.58 A)
 &rst
  ixpk= 258, nxpk= 15, iat=1379,1374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:260     50 GLU  HN          4.50    (#    260:15  Single Ambig)
 &rst
  ixpk= 260, nxpk= 15, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 &end
#
#    0 AMB  15-2:261     50 GLU  HN          4.50    (#    261:15  Single Ambig)
 &rst
  ixpk= 261, nxpk= 15, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 801, 802,  11,  12,
 &end
#
#    0 AMB  15-2:262     50 GLU  HN          5.50    (#    262:15  Single Ambig)
 &rst
  ixpk= 262, nxpk= 15, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 815, 816, 798, 799,
 &end
#
#   32 GLY  HN           87 SER  HN          4.50    (#    264:15  Unique         3.58, 3.77 A)
 &rst
  ixpk= 264, nxpk= 15, iat= 531,1374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:265     87 SER  HN          5.50    (#    265:15  Single Ambig)
 &rst
  ixpk= 265, nxpk= 15, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1385,1404,
 &end
#
#   87 SER  HB2          87 SER  HN          4.50    (#    266:15  Unique         2.32, 2.38 A)
 &rst
  ixpk= 266, nxpk= 15, iat=1378,1374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 PHE  HN           87 SER  HN          5.50    (#    267:15  Unique         4.15, 4.41 A)
 &rst
  ixpk= 267, nxpk= 15, iat=1354,1374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   86 PHE  HA           87 SER  HN          2.80    (#    268:15  Unique         2.18, 2.22 A)
 &rst
  ixpk= 268, nxpk= 15, iat=1356,1374, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   87 SER  HA           87 SER  HN          3.50    (#    269:15  Unique         2.92, 2.97 A)
 &rst
  ixpk= 269, nxpk= 15, iat=1376,1374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TRP  HA           87 SER  HN          3.50    (#    270:15  Unique         2.09, 2.28 A)
 &rst
  ixpk= 270, nxpk= 15, iat= 540,1374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:271     87 SER  HN          4.50    (#    271:15  Single Ambig)
 &rst
  ixpk= 271, nxpk= 15, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 542, 543,1359,
 &end
#
#    0 AMB  15-2:272     87 SER  HN          4.50    (#    272:15  Single Ambig)
 &rst
  ixpk= 272, nxpk= 15, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 542, 543,1358,
 &end
#
#   55 SER  HN           56 PHE  HN          3.50    (#    276:15  Unique         2.72, 2.75 A)
 &rst
  ixpk= 276, nxpk= 15, iat= 883, 894, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 GLU  HN           56 PHE  HN          5.50    (#    277:15  Unique         3.93, 4.08 A)
 &rst
  ixpk= 277, nxpk= 15, iat= 930, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 PHE  QD           56 PHE  HN          5.50    (#    278:15  Unique         2.36, 4.25 A)
 &rst
  ixpk= 278, nxpk= 15, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 902, 910,
 &end
#
#    0 AMB  15-2:279     56 PHE  HN          4.50    (#    279:15  Single Ambig)
 &rst
  ixpk= 279, nxpk= 15, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 885, 839,
 &end
#
#   56 PHE  HA           56 PHE  HN          2.80    (#    280:15  Unique         2.83, 2.85 A)
 &rst
  ixpk= 280, nxpk= 15, iat= 896, 894, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   53 LEU  HA           56 PHE  HN          5.50    (#    281:15  Unique         2.84, 3.29 A)
 &rst
  ixpk= 281, nxpk= 15, iat= 849, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 PHE  HB3          56 PHE  HN          3.50    (#    282:15  Unique         2.46, 2.96 A)
 &rst
  ixpk= 282, nxpk= 15, iat= 899, 894, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 PHE  HB2          56 PHE  HN          3.50    (#    283:15  Unique         2.22, 2.37 A)
 &rst
  ixpk= 283, nxpk= 15, iat= 898, 894, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   76 GLU  HA            0 AMB  15-1:285    5.50    (#    285:15  Single Ambig)
 &rst
  ixpk= 285, nxpk= 15, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  78,1180,
 &end
#
#    4 TYR  HB2           5 ARG  HN          5.50    (#    286:15  Unique         2.34, 2.39 A)
 &rst
  ixpk= 286, nxpk= 15, iat=  61,  78, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:287      0 AMB  15-1:287    3.50    (#    287:15  Double Ambig)
 &rst
  ixpk= 287, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  80, 104,
 igr2=  78,1180,
 &end
#
#    0 AMB  15-2:289      0 AMB  15-1:289    5.50    (#    289:15  Double Ambig)
 &rst
  ixpk= 289, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1186,1187,1188, 920, 921, 922, 924, 925, 926,
 igr2=1180,  78,
 &end
#
#   74 VAL  QG+          75 THR  HN          3.50    (#    290:15  Unique         2.59, 4.12 A)
 &rst
  ixpk= 290, nxpk= 15, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   74 VAL  HA           75 THR  HN          2.80    (#    291:15  Unique         2.15, 2.17 A)
 &rst
  ixpk= 291, nxpk= 15, iat=1166,1180, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    6 ILE  HN            0 AMB  15-1:293    4.50    (#    293:15  Single Ambig)
 &rst
  ixpk= 293, nxpk= 15, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  78,1180,
 &end
#
#    4 TYR  HN            5 ARG  HN          4.50    (#    294:15  Unique         4.35, 4.38 A)
 &rst
  ixpk= 294, nxpk= 15, iat=  57,  78, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 TYR  QD            5 ARG  HN          5.50    (#    295:15  Unique         3.33, 4.62 A)
 &rst
  ixpk= 295, nxpk= 15, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  65,  74,
 &end
#
#    4 TYR  HA            5 ARG  HN          2.80    (#    296:15  Unique         2.27, 2.30 A)
 &rst
  ixpk= 296, nxpk= 15, iat=  59,  78, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    4 TYR  HB3           0 AMB  15-1:297    5.50    (#    297:15  Single Ambig)
 &rst
  ixpk= 297, nxpk= 15, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  78,1180,
 &end
#
#    5 ARG  HB3           0 AMB  15-1:298    3.50    (#    298:15  Single Ambig)
 &rst
  ixpk= 298, nxpk= 15, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  78,1180,
 &end
#
#    0 AMB  15-2:299      0 AMB  15-1:299    2.80    (#    299:15  Double Ambig)
 &rst
  ixpk= 299, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 112, 113, 112, 113,  82,
 igr2=1180,  78,
 &end
#
#    6 ILE  QD1           0 AMB  15-1:300    4.50    (#    300:15  Single Ambig)
 &rst
  ixpk= 300, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 115, 116, 117,
 igr2=  78,1180,
 &end
#
#   74 VAL  HN           75 THR  HN          5.50    (#    301:15  Unique         4.38, 4.45 A)
 &rst
  ixpk= 301, nxpk= 15, iat=1164,1180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 SER  HN           78 ARG  HN          3.50    (#    302:15  Unique         1.96, 2.25 A)
 &rst
  ixpk= 302, nxpk= 15, iat=1244,1220, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:304     78 ARG  HN          4.50    (#    304:15  Single Ambig)
 &rst
  ixpk= 304, nxpk= 15, iat=  -1,1220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1222,1246,
 &end
#
#   77 SER  HB+          78 ARG  HN          5.50    (#    305:15  Unique         2.54, 3.10 A)
 &rst
  ixpk= 305, nxpk= 15, iat=  -1,1220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1213,1214,
 &end
#
#   78 ARG  HB+          78 ARG  HN          4.50    (#    306:15  Unique         2.44, 3.13 A)
 &rst
  ixpk= 306, nxpk= 15, iat=  -1,1220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1224,1225,
 &end
#
#    0 AMB  15-2:307     78 ARG  HN          3.50    (#    307:15  Single Ambig)
 &rst
  ixpk= 307, nxpk= 15, iat=  -1,1220, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1224,1225,1227,1228,
 &end
#
#    2 LEU  HA            2 LEU  HN          4.50    (#    310:15  Unique         2.90, 2.94 A)
 &rst
  ixpk= 310, nxpk= 15, iat=  23,  21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 PRO  HA            2 LEU  HN          4.50    (#    311:15  Unique         3.31, 3.50 A)
 &rst
  ixpk= 311, nxpk= 15, iat= 804,  21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    1 MET  HA            2 LEU  HN          4.50    (#    312:15  Unique         2.31, 2.45 A)
 &rst
  ixpk= 312, nxpk= 15, iat=   6,  21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    1 MET  HB+           2 LEU  HN          4.50    (#    313:15  Unique         2.22, 3.15 A)
 &rst
  ixpk= 313, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=   8,   9,
 &end
#
#    2 LEU  HB-           2 LEU  HN          3.50    (#    315:15  Unique         2.61, 2.97 A)
 &rst
  ixpk= 315, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  25,  26,
 &end
#
#    0 AMB  15-2:316      2 LEU  HN          5.50    (#    316:15  Single Ambig)
 &rst
  ixpk= 316, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 &end
#
#   80 LEU  QD-           2 LEU  HN          4.50    (#    317:15  Unique         5.12, 8.37 A)
 &rst
  ixpk= 317, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1264,1265,1266,1268,1269,1270,
 &end
#
#   53 LEU  QD-           2 LEU  HN          5.50    (#    318:15  Unique         3.51, 5.25 A)
 &rst
  ixpk= 318, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   35 LYS  HB2          36 ASN  HN          3.50    (#    322:15  Unique         2.45, 2.68 A)
 &rst
  ixpk= 322, nxpk= 15, iat= 582, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:323     36 ASN  HN          4.50    (#    323:15  Single Ambig)
 &rst
  ixpk= 323, nxpk= 15, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705, 588, 589,
 &end
#
#   35 LYS  HB3          36 ASN  HN          4.50    (#    324:15  Unique         3.88, 4.01 A)
 &rst
  ixpk= 324, nxpk= 15, iat= 583, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 TRP  HB-          33 TRP  HN          5.50    (#    326:15  Unique         3.39, 3.71 A)
 &rst
  ixpk= 326, nxpk= 15, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 542, 543,
 &end
#
#   45 LEU  HB+          33 TRP  HN          4.50    (#    327:15  Unique         2.87, 3.76 A)
 &rst
  ixpk= 327, nxpk= 15, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 747, 748,
 &end
#
#   36 ASN  HD2+         36 ASN  HN          5.50    (#    330:15  Unique         2.93, 4.85 A)
 &rst
  ixpk= 330, nxpk= 15, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 609, 610,
 &end
#
#   36 ASN  HA           36 ASN  HN          4.50    (#    331:15  Unique         2.96, 2.99 A)
 &rst
  ixpk= 331, nxpk= 15, iat= 602, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 LYS  HA           36 ASN  HN          2.80    (#    332:15  Unique         2.33, 2.44 A)
 &rst
  ixpk= 332, nxpk= 15, iat= 580, 600, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 ARG  HD+          36 ASN  HN          5.50    (#    333:15  Unique         2.55, 4.60 A)
 &rst
  ixpk= 333, nxpk= 15, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 292, 293,
 &end
#
#   36 ASN  HB+          36 ASN  HN          2.80    (#    334:15  Unique         2.22, 2.89 A)
 &rst
  ixpk= 334, nxpk= 15, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 604, 605,
 &end
#
#   45 LEU  HN           33 TRP  HN          4.50    (#    336:15  Unique         2.55, 2.73 A)
 &rst
  ixpk= 336, nxpk= 15, iat= 743, 538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:337     33 TRP  HN          5.50    (#    337:15  Single Ambig)
 &rst
  ixpk= 337, nxpk= 15, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1374, 562,
 &end
#
#   32 GLY  HA+          33 TRP  HN          2.80    (#    339:15  Unique         2.29, 2.62 A)
 &rst
  ixpk= 339, nxpk= 15, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 533, 534,
 &end
#
#   33 TRP  HB+          33 TRP  HN          5.50    (#    340:15  Unique         3.39, 3.71 A)
 &rst
  ixpk= 340, nxpk= 15, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 542, 543,
 &end
#
#   32 GLY  HA-          33 TRP  HN          3.50    (#    341:15  Unique         2.29, 2.62 A)
 &rst
  ixpk= 341, nxpk= 15, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 533, 534,
 &end
#
#    0 AMB  15-2:342      0 AMB  15-1:342    3.50    (#    342:15  Double Ambig)
 &rst
  ixpk= 342, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 205, 206, 207, 209, 210, 211, 752, 753, 754, 756,
       757, 758,
 igr2= 693, 538,
 &end
#
#   45 LEU  HB-          33 TRP  HN          4.50    (#    343:15  Unique         2.87, 3.76 A)
 &rst
  ixpk= 343, nxpk= 15, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 747, 748,
 &end
#
#   46 ALA  HA           33 TRP  HN          4.50    (#    345:15  Unique         3.60, 3.76 A)
 &rst
  ixpk= 345, nxpk= 15, iat= 764, 538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87 SER  HN           88 ILE  HN          4.50    (#    349:15  Unique         4.35, 4.43 A)
 &rst
  ixpk= 349, nxpk= 15, iat=1374,1385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLN  HE2+         88 ILE  HN          5.50    (#    350:15  Unique         6.79, 7.57 A)
 &rst
  ixpk= 350, nxpk= 15, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 375, 376,
 &end
#
#   87 SER  HA           88 ILE  HN          2.80    (#    351:15  Unique         2.17, 2.22 A)
 &rst
  ixpk= 351, nxpk= 15, iat=1376,1385, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   88 ILE  HA           88 ILE  HN          3.50    (#    352:15  Unique         2.94, 2.95 A)
 &rst
  ixpk= 352, nxpk= 15, iat=1387,1385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   87 SER  HB2          88 ILE  HN          4.50    (#    353:15  Unique         4.27, 4.40 A)
 &rst
  ixpk= 353, nxpk= 15, iat=1378,1385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88 ILE  HG1-         88 ILE  HN          3.50    (#    354:15  Unique         2.42, 3.20 A)
 &rst
  ixpk= 354, nxpk= 15, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1395,1396,
 &end
#
#   88 ILE  HB           88 ILE  HN          2.80    (#    355:15  Unique         2.42, 2.46 A)
 &rst
  ixpk= 355, nxpk= 15, iat=1389,1385, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   88 ILE  QD1          88 ILE  HN          4.50    (#    356:15  Unique         3.68, 4.42 A)
 &rst
  ixpk= 356, nxpk= 15, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1398,1399,1400,
 &end
#
#   88 ILE  HG1+         88 ILE  HN          4.50    (#    357:15  Unique         2.42, 3.20 A)
 &rst
  ixpk= 357, nxpk= 15, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1395,1396,
 &end
#
#   88 ILE  QG2          88 ILE  HN          5.50    (#    358:15  Unique         4.34, 4.57 A)
 &rst
  ixpk= 358, nxpk= 15, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1391,1392,1393,
 &end
#
#   22 GLN  HE2-         88 ILE  HN          5.50    (#    359:15  Unique         6.79, 7.57 A)
 &rst
  ixpk= 359, nxpk= 15, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 375, 376,
 &end
#
#   33 TRP  HA           88 ILE  HN          5.50    (#    360:15  Unique         5.06, 5.15 A)
 &rst
  ixpk= 360, nxpk= 15, iat= 540,1385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 SER  HB3          88 ILE  HN          4.50    (#    361:15  Unique         3.38, 3.60 A)
 &rst
  ixpk= 361, nxpk= 15, iat=1379,1385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:365      0 AMB  15-1:365    5.50    (#    365:15  Double Ambig)
 &rst
  ixpk= 365, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 709, 762,
 igr2= 693, 538,
 &end
#
#   41 ARG  HN           42 VAL  HN          5.50    (#    366:15  Unique         4.56, 4.60 A)
 &rst
  ixpk= 366, nxpk= 15, iat= 669, 693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 ARG  HA           42 VAL  HN          2.80    (#    367:15  Unique         2.32, 2.42 A)
 &rst
  ixpk= 367, nxpk= 15, iat= 671, 693, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   42 VAL  HB           42 VAL  HN          2.80    (#    368:15  Unique         2.45, 2.56 A)
 &rst
  ixpk= 368, nxpk= 15, iat= 697, 693, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   41 ARG  HG+          42 VAL  HN          5.50    (#    369:15  Unique         3.35, 4.03 A)
 &rst
  ixpk= 369, nxpk= 15, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 676, 677,
 &end
#
#    0 AMB  15-2:370      0 AMB  15-1:370    3.50    (#    370:15  Double Ambig)
 &rst
  ixpk= 370, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 699, 700, 701, 703, 704, 705, 730, 731, 732,
 igr2= 693, 538,
 &end
#
#    7 ILE  QG2          42 VAL  HN          4.50    (#    371:15  Unique         3.79, 4.49 A)
 &rst
  ixpk= 371, nxpk= 15, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 127, 128, 129,
 &end
#
#    8 VAL  HN           42 VAL  HN          3.50    (#    372:15  Unique         2.60, 2.69 A)
 &rst
  ixpk= 372, nxpk= 15, iat= 140, 693, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:373     42 VAL  HN          5.50    (#    373:15  Single Ambig)
 &rst
  ixpk= 373, nxpk= 15, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 679, 680, 624, 625,
 &end
#
#    8 VAL  HB           42 VAL  HN          4.50    (#    374:15  Unique         3.01, 3.35 A)
 &rst
  ixpk= 374, nxpk= 15, iat= 144, 693, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 VAL  QG+          88 ILE  HN          5.50    (#    375:15  Unique         4.38, 6.70 A)
 &rst
  ixpk= 375, nxpk= 15, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  15-2:376      0 AMB  15-1:376    4.50    (#    376:15  Double Ambig)
 &rst
  ixpk= 376, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1= 146, 147, 148, 150, 151, 152, 737, 738, 739, 353,
       354, 355, 357, 358, 359,1098,1099,1100,1102,1103,
      1104,
 igr2= 693, 538,
 &end
#
#   90 TYR  HN           91 SER  HN          4.50    (#    379:15  Unique         1.98, 2.56 A)
 &rst
  ixpk= 379, nxpk= 15, iat=1420,1441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 TYR  HA           91 SER  HN          3.50    (#    381:15  Unique         3.41, 3.51 A)
 &rst
  ixpk= 381, nxpk= 15, iat=1422,1441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   91 SER  HA           91 SER  HN          3.50    (#    382:15  Unique         2.67, 2.77 A)
 &rst
  ixpk= 382, nxpk= 15, iat=1443,1441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   89 VAL  HA           91 SER  HN          5.50    (#    383:15  Unique         3.65, 4.08 A)
 &rst
  ixpk= 383, nxpk= 15, iat=1406,1441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91 SER  QB           91 SER  HN          4.50    (#    384:15  Unique         2.55, 3.08 A)
 &rst
  ixpk= 384, nxpk= 15, iat=  -1,1441, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1445,1446,
 &end
#
#   90 TYR  HB2          91 SER  HN          5.50    (#    385:15  Unique         3.89, 4.03 A)
 &rst
  ixpk= 385, nxpk= 15, iat=1424,1441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89 VAL  QG+          91 SER  HN          4.50    (#    386:15  Unique         1.98, 4.49 A)
 &rst
  ixpk= 386, nxpk= 15, iat=  -1,1441, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   90 TYR  HB3          91 SER  HN          4.50    (#    387:15  Unique         2.64, 2.89 A)
 &rst
  ixpk= 387, nxpk= 15, iat=1425,1441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 VAL  QG-          91 SER  HN          5.50    (#    388:15  Unique         1.98, 4.49 A)
 &rst
  ixpk= 388, nxpk= 15, iat=  -1,1441, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#    6 ILE  HA           73 SER  HN          4.50    (#    389:15  Unique         4.42, 4.50 A)
 &rst
  ixpk= 389, nxpk= 15, iat= 104,1153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   72 ILE  HA           73 SER  HN          2.80    (#    390:15  Unique         2.22, 2.24 A)
 &rst
  ixpk= 390, nxpk= 15, iat=1136,1153, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   73 SER  QB           73 SER  HN          3.50    (#    391:15  Unique         2.57, 3.20 A)
 &rst
  ixpk= 391, nxpk= 15, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1157,1158,
 &end
#
#    7 ILE  HB           73 SER  HN          5.50    (#    392:15  Unique         3.36, 3.49 A)
 &rst
  ixpk= 392, nxpk= 15, iat= 125,1153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:393     73 SER  HN          4.50    (#    393:15  Single Ambig)
 &rst
  ixpk= 393, nxpk= 15, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1138, 112, 113,
 &end
#
#   72 ILE  HG1+         73 SER  HN          5.50    (#    394:15  Unique         2.34, 2.71 A)
 &rst
  ixpk= 394, nxpk= 15, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1144,1145,
 &end
#
#   37 ARG  HB2          37 ARG  HN          3.50    (#    395:15  Unique         2.21, 2.29 A)
 &rst
  ixpk= 395, nxpk= 15, iat= 618, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 ARG  HG-          37 ARG  HN          5.50    (#    397:15  Unique         2.68, 3.41 A)
 &rst
  ixpk= 397, nxpk= 15, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 621, 622,
 &end
#
#    0 AMB  15-2:398     37 ARG  HN          5.50    (#    398:15  Single Ambig)
 &rst
  ixpk= 398, nxpk= 15, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 709, 600,
 &end
#
#   13 GLN  HE2-         37 ARG  HN          4.50    (#    399:15  Unique         4.49, 7.33 A)
 &rst
  ixpk= 399, nxpk= 15, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 227, 228,
 &end
#
#   36 ASN  HA           37 ARG  HN          2.80    (#    400:15  Unique         2.15, 2.22 A)
 &rst
  ixpk= 400, nxpk= 15, iat= 602, 614, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   37 ARG  HA           37 ARG  HN          4.50    (#    402:15  Unique         2.94, 2.96 A)
 &rst
  ixpk= 402, nxpk= 15, iat= 616, 614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 ARG  HB3          37 ARG  HN          4.50    (#    404:15  Unique         3.51, 3.55 A)
 &rst
  ixpk= 404, nxpk= 15, iat= 619, 614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:405     37 ARG  HN          4.50    (#    405:15  Single Ambig)
 &rst
  ixpk= 405, nxpk= 15, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 699, 700, 701, 703, 704, 705, 588, 589, 131, 132,
      
 &end
#
#   13 GLN  HE2+         37 ARG  HN          4.50    (#    406:15  Unique         4.49, 7.33 A)
 &rst
  ixpk= 406, nxpk= 15, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 227, 228,
 &end
#
#   90 TYR  QD           91 SER  HN          5.50    (#    407:15  Unique         3.71, 4.89 A)
 &rst
  ixpk= 407, nxpk= 15, iat=  -1,1441, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1428,1437,
 &end
#
#   47 GLU  HN           31 ALA  HN          3.50    (#    408:15  Unique         2.65, 2.83 A)
 &rst
  ixpk= 408, nxpk= 15, iat= 772, 521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLY  HN           31 ALA  HN          5.50    (#    409:15  Unique         4.38, 4.44 A)
 &rst
  ixpk= 409, nxpk= 15, iat= 531, 521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ALA  HA           31 ALA  HN          4.50    (#    410:15  Unique         4.29, 4.46 A)
 &rst
  ixpk= 410, nxpk= 15, iat= 764, 521, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 ALA  HA           31 ALA  HN          4.50    (#    411:15  Unique         2.94, 2.96 A)
 &rst
  ixpk= 411, nxpk= 15, iat= 523, 521, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LEU  HA           31 ALA  HN          2.80    (#    412:15  Unique         2.40, 2.46 A)
 &rst
  ixpk= 412, nxpk= 15, iat= 504, 521, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 LEU  HG           31 ALA  HN          5.50    (#    414:15  Unique         4.81, 4.91 A)
 &rst
  ixpk= 414, nxpk= 15, iat= 509, 521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 ALA  QB           31 ALA  HN          2.80    (#    415:15  Unique         2.61, 3.31 A)
 &rst
  ixpk= 415, nxpk= 15, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 525, 526, 527,
 &end
#
#   30 LEU  HB2          31 ALA  HN          5.50    (#    416:15  Unique         3.29, 3.42 A)
 &rst
  ixpk= 416, nxpk= 15, iat= 506, 521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 LEU  HB3          31 ALA  HN          5.50    (#    417:15  Unique         2.14, 2.27 A)
 &rst
  ixpk= 417, nxpk= 15, iat= 507, 521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 LEU  QD-          31 ALA  HN          4.50    (#    418:15  Unique         3.61, 4.85 A)
 &rst
  ixpk= 418, nxpk= 15, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  QD+          31 ALA  HN          5.50    (#    419:15  Unique         3.61, 4.85 A)
 &rst
  ixpk= 419, nxpk= 15, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   60 VAL  QG2          59 ALA  HN          5.50    (#    420:15  Unique         4.59, 5.62 A)
 &rst
  ixpk= 420, nxpk= 15, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 965, 966, 967,
 &end
#
#   60 VAL  HN           59 ALA  HN          2.80    (#    421:15  Unique         2.64, 2.69 A)
 &rst
  ixpk= 421, nxpk= 15, iat= 955, 945, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   58 GLU  HN           59 ALA  HN          3.50    (#    422:15  Unique         2.76, 2.80 A)
 &rst
  ixpk= 422, nxpk= 15, iat= 930, 945, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 ALA  HA           59 ALA  HN          2.80    (#    423:15  Unique         2.85, 2.86 A)
 &rst
  ixpk= 423, nxpk= 15, iat= 947, 945, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   56 PHE  HA           59 ALA  HN          4.50    (#    424:15  Unique         2.91, 3.09 A)
 &rst
  ixpk= 424, nxpk= 15, iat= 896, 945, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:425      0 AMB  15-1:425    4.50    (#    425:15  Double Ambig)
 &rst
  ixpk= 425, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 932, 284,
 igr2= 945, 327,
 &end
#
#   58 GLU  HG-          59 ALA  HN          5.50    (#    426:15  Unique         4.43, 4.79 A)
 &rst
  ixpk= 426, nxpk= 15, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937, 938,
 &end
#
#   59 ALA  QB           59 ALA  HN          2.80    (#    428:15  Unique         2.46, 2.89 A)
 &rst
  ixpk= 428, nxpk= 15, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 949, 950, 951,
 &end
#
#   27 LYS  HN           26 ASP  HN          3.50    (#    431:15  Unique         2.77, 2.81 A)
 &rst
  ixpk= 431, nxpk= 15, iat= 434, 422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:432     26 ASP  HN          4.50    (#    432:15  Single Ambig)
 &rst
  ixpk= 432, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 456, 375, 376,
 &end
#
#   26 ASP  HA           26 ASP  HN          3.50    (#    433:15  Unique         2.78, 2.79 A)
 &rst
  ixpk= 433, nxpk= 15, iat= 424, 422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 MET  HA           26 ASP  HN          4.50    (#    434:15  Unique         3.11, 3.15 A)
 &rst
  ixpk= 434, nxpk= 15, iat= 382, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ASP  HB2          26 ASP  HN          2.80    (#    435:15  Unique         2.28, 2.40 A)
 &rst
  ixpk= 435, nxpk= 15, iat= 426, 422, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   22 GLN  QG           26 ASP  HN          5.50    (#    436:15  Unique         4.35, 5.31 A)
 &rst
  ixpk= 436, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 370, 371,
 &end
#
#   25 ALA  QB           26 ASP  HN          2.80    (#    437:15  Unique         2.52, 3.38 A)
 &rst
  ixpk= 437, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 416, 417, 418,
 &end
#
#   25 ALA  HN           26 ASP  HN          4.50    (#    438:15  Unique         2.47, 2.60 A)
 &rst
  ixpk= 438, nxpk= 15, iat= 412, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 ALA  HA           26 ASP  HN          4.50    (#    439:15  Unique         3.53, 3.54 A)
 &rst
  ixpk= 439, nxpk= 15, iat= 414, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ASP  HB3          26 ASP  HN          3.50    (#    440:15  Unique         2.59, 2.67 A)
 &rst
  ixpk= 440, nxpk= 15, iat= 427, 422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 ILE  HN           73 SER  HN          3.50    (#    442:15  Unique         2.76, 2.79 A)
 &rst
  ixpk= 442, nxpk= 15, iat= 121,1153, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   72 ILE  HN           73 SER  HN          5.50    (#    443:15  Unique         4.18, 4.21 A)
 &rst
  ixpk= 443, nxpk= 15, iat=1134,1153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:445     73 SER  HN          4.50    (#    445:15  Single Ambig)
 &rst
  ixpk= 445, nxpk= 15, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 127, 128, 129,1140,1141,1142, 134, 135, 136,
 &end
#
#   57 VAL  HN           59 ALA  HN          5.50    (#    448:15  Unique         4.02, 4.14 A)
 &rst
  ixpk= 448, nxpk= 15, iat= 914, 945, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 GLU  QB           59 ALA  HN          3.50    (#    450:15  Unique         2.78, 3.33 A)
 &rst
  ixpk= 450, nxpk= 15, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 934, 935,
 &end
#
#    0 AMB  15-2:452     73 SER  HN          5.50    (#    452:15  Single Ambig)
 &rst
  ixpk= 452, nxpk= 15, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 146, 147, 148, 150, 151, 152, 112, 113,
 &end
#
#   20 PHE  HA           20 PHE  HN          2.80    (#    455:15  Unique         2.82, 2.83 A)
 &rst
  ixpk= 455, nxpk= 15, iat= 329, 327, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   20 PHE  HB+          20 PHE  HN          3.50    (#    456:15  Unique         2.36, 2.51 A)
 &rst
  ixpk= 456, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 331, 332,
 &end
#
#   20 PHE  HB-          20 PHE  HN          3.50    (#    457:15  Unique         2.36, 2.51 A)
 &rst
  ixpk= 457, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 331, 332,
 &end
#
#   21 VAL  HN           20 PHE  HN          3.50    (#    458:15  Unique         2.81, 2.82 A)
 &rst
  ixpk= 458, nxpk= 15, iat= 347, 327, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 TYR  HB+          20 PHE  HN          4.50    (#    459:15  Unique         2.58, 3.28 A)
 &rst
  ixpk= 459, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 310, 311,
 &end
#
#   70 THR  HN           71 ASP  HN          2.80    (#    460:15  Unique         1.96, 2.01 A)
 &rst
  ixpk= 460, nxpk= 15, iat=1108,1122, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 ASP  HN           71 ASP  HN          3.50    (#    461:15  Unique         2.74, 2.88 A)
 &rst
  ixpk= 461, nxpk= 15, iat= 156,1122, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 GLY  HA+          71 ASP  HN          5.50    (#    462:15  Unique         4.21, 4.58 A)
 &rst
  ixpk= 462, nxpk= 15, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 170, 171,
 &end
#
#   70 THR  HA           71 ASP  HN          4.50    (#    464:15  Unique         3.45, 3.51 A)
 &rst
  ixpk= 464, nxpk= 15, iat=1110,1122, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:466     71 ASP  HN          3.50    (#    466:15  Single Ambig)
 &rst
  ixpk= 466, nxpk= 15, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 161,1126,1127,
 &end
#
#   71 ASP  HB-          71 ASP  HN          4.50    (#    467:15  Unique         2.93, 3.23 A)
 &rst
  ixpk= 467, nxpk= 15, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1126,1127,
 &end
#
#    8 VAL  QG+          71 ASP  HN          5.50    (#    468:15  Unique         4.12, 6.06 A)
 &rst
  ixpk= 468, nxpk= 15, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 146, 147, 148, 150, 151, 152,
 &end
#
#    0 AMB  15-2:469     71 ASP  HN          4.50    (#    469:15  Single Ambig)
 &rst
  ixpk= 469, nxpk= 15, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#    0 AMB  15-2:472     47 GLU  HN          4.50    (#    472:15  Single Ambig)
 &rst
  ixpk= 472, nxpk= 15, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 533, 534,  47,  48,
 &end
#
#    0 AMB  15-2:473     47 GLU  HN          4.50    (#    473:15  Single Ambig)
 &rst
  ixpk= 473, nxpk= 15, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 511, 512, 513, 515, 516, 517, 752, 753, 754, 756,
       757, 758,
 &end
#
#   31 ALA  HN           47 GLU  HN          3.50    (#    474:15  Unique         2.65, 2.83 A)
 &rst
  ixpk= 474, nxpk= 15, iat= 521, 772, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 ALA  HA           47 GLU  HN          2.80    (#    475:15  Unique         2.22, 2.25 A)
 &rst
  ixpk= 475, nxpk= 15, iat= 764, 772, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   32 GLY  HA+          47 GLU  HN          4.50    (#    476:15  Unique         3.53, 4.08 A)
 &rst
  ixpk= 476, nxpk= 15, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 533, 534,
 &end
#
#   81 GLU  HG+          47 GLU  HN          4.50    (#    478:15  Unique         4.49, 5.37 A)
 &rst
  ixpk= 478, nxpk= 15, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1281,1282,
 &end
#
#   46 ALA  QB           47 GLU  HN          3.50    (#    480:15  Unique         2.52, 3.51 A)
 &rst
  ixpk= 480, nxpk= 15, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 766, 767, 768,
 &end
#
#   12 VAL  QG+          68 LYS  HN          5.50    (#    482:15  Unique         3.50, 5.45 A)
 &rst
  ixpk= 482, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   67 SER  HA           68 LYS  HN          3.50    (#    483:15  Unique         2.31, 2.35 A)
 &rst
  ixpk= 483, nxpk= 15, iat=1061,1070, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 LYS  HA           68 LYS  HN          4.50    (#    484:15  Unique         2.91, 2.93 A)
 &rst
  ixpk= 484, nxpk= 15, iat=1072,1070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 SER  QB           68 LYS  HN          3.50    (#    485:15  Unique         2.36, 2.99 A)
 &rst
  ixpk= 485, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1063,1064,
 &end
#
#   11 ARG  HB+          68 LYS  HN          4.50    (#    486:15  Unique         2.18, 3.24 A)
 &rst
  ixpk= 486, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 179, 180,
 &end
#
#    0 AMB  15-2:487     68 LYS  HN          3.50    (#    487:15  Single Ambig)
 &rst
  ixpk= 487, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 179, 180,1074,1075, 182, 183,
 &end
#
#   11 ARG  HN           68 LYS  HN          4.50    (#    488:15  Unique         3.28, 3.35 A)
 &rst
  ixpk= 488, nxpk= 15, iat= 175,1070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 GLN  HN           53 LEU  HN          3.50    (#    489:15  Unique         2.76, 2.81 A)
 &rst
  ixpk= 489, nxpk= 15, iat= 866, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 SER  HN           53 LEU  HN          5.50    (#    490:15  Unique         4.38, 4.66 A)
 &rst
  ixpk= 490, nxpk= 15, iat= 883, 847, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 ALA  HN           53 LEU  HN          2.80    (#    491:15  Unique         1.98, 2.50 A)
 &rst
  ixpk= 491, nxpk= 15, iat= 837, 847, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   52 ALA  HA           53 LEU  HN          4.50    (#    492:15  Unique         3.51, 3.62 A)
 &rst
  ixpk= 492, nxpk= 15, iat= 839, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  HA           53 LEU  HN          3.50    (#    494:15  Unique         2.77, 2.80 A)
 &rst
  ixpk= 494, nxpk= 15, iat= 849, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 GLU  HA           53 LEU  HN          4.50    (#    495:15  Unique         3.19, 3.34 A)
 &rst
  ixpk= 495, nxpk= 15, iat= 810, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:496     53 LEU  HN          2.80    (#    496:15  Single Ambig)
 &rst
  ixpk= 496, nxpk= 15, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 851, 841, 842, 843,
 &end
#
#   53 LEU  HG           53 LEU  HN          3.50    (#    497:15  Unique         2.50, 2.67 A)
 &rst
  ixpk= 497, nxpk= 15, iat= 854, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LEU  HB3          53 LEU  HN          3.50    (#    498:15  Unique         1.98, 3.45 A)
 &rst
  ixpk= 498, nxpk= 15, iat= 852, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LEU  QD+          53 LEU  HN          4.50    (#    499:15  Unique         3.13, 4.48 A)
 &rst
  ixpk= 499, nxpk= 15, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   53 LEU  QD-          53 LEU  HN          4.50    (#    500:15  Unique         3.13, 4.48 A)
 &rst
  ixpk= 500, nxpk= 15, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   48 GLY  HN           47 GLU  HN          4.50    (#    501:15  Unique         4.22, 4.32 A)
 &rst
  ixpk= 501, nxpk= 15, iat= 787, 772, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  QD+          47 GLU  HN          5.50    (#    502:15  Unique         3.52, 5.32 A)
 &rst
  ixpk= 502, nxpk= 15, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   70 THR  QG2          70 THR  HN          3.50    (#    505:15  Unique         2.92, 3.71 A)
 &rst
  ixpk= 505, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1114,1115,1116,
 &end
#
#    0 AMB  15-2:506      0 AMB  15-1:506    5.50    (#    506:15  Double Ambig)
 &rst
  ixpk= 506, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 856, 857, 858, 860, 861, 862, 205, 206, 207, 209,
       210, 211,
 igr2= 772,1108,
 &end
#
#   11 ARG  HN           70 THR  HN          5.50    (#    507:15  Unique         4.38, 4.48 A)
 &rst
  ixpk= 507, nxpk= 15, iat= 175,1108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:508     70 THR  HN          4.50    (#    508:15  Single Ambig)
 &rst
  ixpk= 508, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 156, 168,
 &end
#
#   71 ASP  HN           70 THR  HN          2.80    (#    509:15  Unique         1.96, 2.01 A)
 &rst
  ixpk= 509, nxpk= 15, iat=1122,1108, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   10 GLY  HA+          70 THR  HN          3.50    (#    510:15  Unique         2.42, 2.95 A)
 &rst
  ixpk= 510, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 170, 171,
 &end
#
#   70 THR  HA           70 THR  HN          4.50    (#    511:15  Unique         2.97, 2.98 A)
 &rst
  ixpk= 511, nxpk= 15, iat=1110,1108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 VAL  HA           70 THR  HN          2.80    (#    512:15  Unique         2.18, 2.24 A)
 &rst
  ixpk= 512, nxpk= 15, iat=1094,1108, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   10 GLY  HA-          70 THR  HN          4.50    (#    513:15  Unique         2.42, 2.95 A)
 &rst
  ixpk= 513, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 170, 171,
 &end
#
#    0 AMB  15-2:514     70 THR  HN          3.50    (#    514:15  Single Ambig)
 &rst
  ixpk= 514, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#   70 THR  HB           70 THR  HN          4.50    (#    515:15  Unique         3.66, 3.71 A)
 &rst
  ixpk= 515, nxpk= 15, iat=1112,1108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 PHE  HB-          21 VAL  HN          4.50    (#    516:15  Unique         2.53, 3.24 A)
 &rst
  ixpk= 516, nxpk= 15, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 331, 332,
 &end
#
#   22 GLN  HN           21 VAL  HN          3.50    (#    517:15  Unique         2.81, 2.82 A)
 &rst
  ixpk= 517, nxpk= 15, iat= 363, 347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 PHE  HN           21 VAL  HN          4.50    (#    518:15  Unique         2.81, 2.82 A)
 &rst
  ixpk= 518, nxpk= 15, iat= 327, 347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 PHE  HB+          21 VAL  HN          5.50    (#    519:15  Unique         2.53, 3.24 A)
 &rst
  ixpk= 519, nxpk= 15, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 331, 332,
 &end
#
#   21 VAL  QG+          21 VAL  HN          4.50    (#    520:15  Unique         2.22, 3.83 A)
 &rst
  ixpk= 520, nxpk= 15, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#   21 VAL  QG-          21 VAL  HN          3.50    (#    521:15  Unique         2.22, 3.83 A)
 &rst
  ixpk= 521, nxpk= 15, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#   17 PHE  QE           21 VAL  HN          5.50    (#    522:15  Unique         5.00, 6.06 A)
 &rst
  ixpk= 522, nxpk= 15, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 272, 276,
 &end
#
#   19 TYR  HA           21 VAL  HN          5.50    (#    523:15  Unique         4.65, 4.70 A)
 &rst
  ixpk= 523, nxpk= 15, iat= 308, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 PHE  HB-          21 VAL  HN          4.50    (#    524:15  Unique         2.53, 3.24 A)
 &rst
  ixpk= 524, nxpk= 15, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 331, 332,
 &end
#
#   21 VAL  HA           21 VAL  HN          4.50    (#    525:15  Unique         2.83, 2.84 A)
 &rst
  ixpk= 525, nxpk= 15, iat= 349, 347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 VAL  HB           21 VAL  HN          3.50    (#    526:15  Unique         2.28, 2.37 A)
 &rst
  ixpk= 526, nxpk= 15, iat= 351, 347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 SER  HN           72 ILE  HN          5.50    (#    528:15  Unique         4.18, 4.21 A)
 &rst
  ixpk= 528, nxpk= 15, iat=1153,1134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 ILE  HA           72 ILE  HN          3.50    (#    530:15  Unique         2.87, 2.89 A)
 &rst
  ixpk= 530, nxpk= 15, iat=1136,1134, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 ASP  HB+          72 ILE  HN          5.50    (#    532:15  Unique         3.56, 3.83 A)
 &rst
  ixpk= 532, nxpk= 15, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1126,1127,
 &end
#
#   71 ASP  HB-          72 ILE  HN          5.50    (#    533:15  Unique         3.56, 3.83 A)
 &rst
  ixpk= 533, nxpk= 15, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1126,1127,
 &end
#
#   72 ILE  HB           72 ILE  HN          4.50    (#    534:15  Unique         3.28, 3.50 A)
 &rst
  ixpk= 534, nxpk= 15, iat=1138,1134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:535     72 ILE  HN          4.50    (#    535:15  Single Ambig)
 &rst
  ixpk= 535, nxpk= 15, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1144,1145,1098,1099,1100,1102,1103,1104,1098,1099,
      1100,1102,1103,1104, 146, 147, 148, 150, 151, 152,
      
 &end
#
#   72 ILE  QG2          72 ILE  HN          2.80    (#    536:15  Unique         2.55, 3.38 A)
 &rst
  ixpk= 536, nxpk= 15, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1140,1141,1142,
 &end
#
#   26 ASP  HN           27 LYS  HN          3.50    (#    538:15  Unique         2.77, 2.81 A)
 &rst
  ixpk= 538, nxpk= 15, iat= 422, 434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 ARG  HN           27 LYS  HN          4.50    (#    540:15  Unique         2.83, 2.86 A)
 &rst
  ixpk= 540, nxpk= 15, iat= 456, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ASP  HA           27 LYS  HN          4.50    (#    541:15  Unique         3.52, 3.55 A)
 &rst
  ixpk= 541, nxpk= 15, iat= 424, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LYS  HA           27 LYS  HN          3.50    (#    542:15  Unique         2.79, 2.81 A)
 &rst
  ixpk= 542, nxpk= 15, iat= 436, 434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 GLU  HA           27 LYS  HN          4.50    (#    543:15  Unique         3.32, 3.63 A)
 &rst
  ixpk= 543, nxpk= 15, iat= 399, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:544     27 LYS  HN          4.50    (#    544:15  Single Ambig)
 &rst
  ixpk= 544, nxpk= 15, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 426, 447, 448,
 &end
#
#   26 ASP  HB3          27 LYS  HN          4.50    (#    545:15  Unique         2.45, 2.55 A)
 &rst
  ixpk= 545, nxpk= 15, iat= 427, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LYS  QB           27 LYS  HN          2.80    (#    546:15  Unique         2.22, 3.03 A)
 &rst
  ixpk= 546, nxpk= 15, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 438, 439,
 &end
#
#   27 LYS  QG           27 LYS  HN          2.80    (#    547:15  Unique         2.25, 3.18 A)
 &rst
  ixpk= 547, nxpk= 15, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 441, 442,
 &end
#
#   25 ALA  QB           27 LYS  HN          5.50    (#    548:15  Unique         5.12, 5.66 A)
 &rst
  ixpk= 548, nxpk= 15, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 416, 417, 418,
 &end
#
#    0 AMB  15-2:549     57 VAL  HN          5.50    (#    549:15  Single Ambig)
 &rst
  ixpk= 549, nxpk= 15, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 945, 883,
 &end
#
#   56 PHE  HA           57 VAL  HN          4.50    (#    550:15  Unique         3.59, 3.64 A)
 &rst
  ixpk= 550, nxpk= 15, iat= 896, 914, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 GLY  HA+          83 HIS  HN          4.50    (#    553:15  Unique         2.72, 3.31 A)
 &rst
  ixpk= 553, nxpk= 15, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1291,1292,
 &end
#
#   82 GLY  HA-          83 HIS  HN          3.50    (#    554:15  Unique         2.72, 3.31 A)
 &rst
  ixpk= 554, nxpk= 15, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1291,1292,
 &end
#
#   31 ALA  QB           83 HIS  HN          4.50    (#    556:15  Unique         3.07, 4.12 A)
 &rst
  ixpk= 556, nxpk= 15, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 525, 526, 527,
 &end
#
#   82 GLY  HN           83 HIS  HN          2.80    (#    557:15  Unique         1.79, 2.15 A)
 &rst
  ixpk= 557, nxpk= 15, iat=1289,1296, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   83 HIS  HA           83 HIS  HN          3.50    (#    559:15  Unique         2.64, 2.86 A)
 &rst
  ixpk= 559, nxpk= 15, iat=1298,1296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   83 HIS  HB2          83 HIS  HN          4.50    (#    560:15  Unique         2.37, 2.80 A)
 &rst
  ixpk= 560, nxpk= 15, iat=1300,1296, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83 HIS  HB3          83 HIS  HN          5.50    (#    561:15  Unique         2.37, 2.67 A)
 &rst
  ixpk= 561, nxpk= 15, iat=1301,1296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 GLU  QB           83 HIS  HN          4.50    (#    562:15  Unique         2.32, 4.87 A)
 &rst
  ixpk= 562, nxpk= 15, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1278,1279,
 &end
#
#   58 GLU  HN           57 VAL  HN          3.50    (#    563:15  Unique         2.65, 2.74 A)
 &rst
  ixpk= 563, nxpk= 15, iat= 930, 914, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 PHE  QD           57 VAL  HN          5.50    (#    564:15  Unique         4.74, 5.11 A)
 &rst
  ixpk= 564, nxpk= 15, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 902, 910,
 &end
#
#   54 GLN  HA           57 VAL  HN          4.50    (#    565:15  Unique         3.07, 3.27 A)
 &rst
  ixpk= 565, nxpk= 15, iat= 868, 914, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 PHE  HB3          57 VAL  HN          3.50    (#    566:15  Unique         2.81, 3.22 A)
 &rst
  ixpk= 566, nxpk= 15, iat= 899, 914, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 VAL  HA           57 VAL  HN          3.50    (#    567:15  Unique         2.82, 2.84 A)
 &rst
  ixpk= 567, nxpk= 15, iat= 916, 914, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 PHE  HB2          57 VAL  HN          5.50    (#    568:15  Unique         2.73, 3.57 A)
 &rst
  ixpk= 568, nxpk= 15, iat= 898, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 VAL  HB           57 VAL  HN          2.80    (#    569:15  Unique         2.38, 2.58 A)
 &rst
  ixpk= 569, nxpk= 15, iat= 918, 914, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   57 VAL  QG+          57 VAL  HN          2.80    (#    571:15  Unique         2.19, 3.85 A)
 &rst
  ixpk= 571, nxpk= 15, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#    0 AMB  15-2:572     57 VAL  HN          4.50    (#    572:15  Single Ambig)
 &rst
  ixpk= 572, nxpk= 15, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 854, 115, 116, 117,
 &end
#
#   57 VAL  QG-          57 VAL  HN          4.50    (#    573:15  Unique         2.19, 3.85 A)
 &rst
  ixpk= 573, nxpk= 15, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#   86 PHE  HN           85 ARG  HN          4.50    (#    576:15  Unique         4.23, 4.31 A)
 &rst
  ixpk= 576, nxpk= 15, iat=1354,1330, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLY  HN           85 ARG  HN          4.50    (#    577:15  Unique         3.49, 3.82 A)
 &rst
  ixpk= 577, nxpk= 15, iat= 531,1330, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   85 ARG  HG+          85 ARG  HN          4.50    (#    579:15  Unique         2.58, 3.80 A)
 &rst
  ixpk= 579, nxpk= 15, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1337,1338,
 &end
#
#   85 ARG  QD           85 ARG  HN          4.50    (#    580:15  Unique         2.20, 4.38 A)
 &rst
  ixpk= 580, nxpk= 15, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1340,1341,
 &end
#
#   85 ARG  HG-          85 ARG  HN          4.50    (#    581:15  Unique         2.58, 3.80 A)
 &rst
  ixpk= 581, nxpk= 15, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1337,1338,
 &end
#
#   31 ALA  QB           85 ARG  HN          3.50    (#    582:15  Unique         2.25, 3.96 A)
 &rst
  ixpk= 582, nxpk= 15, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 525, 526, 527,
 &end
#
#   22 GLN  HB3          22 GLN  HN          3.50    (#    584:15  Unique         2.22, 2.24 A)
 &rst
  ixpk= 584, nxpk= 15, iat= 368, 363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 VAL  HN           22 GLN  HN          3.50    (#    585:15  Unique         2.81, 2.82 A)
 &rst
  ixpk= 585, nxpk= 15, iat= 347, 363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 MET  HN           24 GLU  HN          3.50    (#    586:15  Unique         2.59, 2.61 A)
 &rst
  ixpk= 586, nxpk= 15, iat= 380, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 PHE  QE           24 GLU  HN          5.50    (#    587:15  Unique         4.08, 6.48 A)
 &rst
  ixpk= 587, nxpk= 15, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 904, 908,
 &end
#
#   23 MET  HG-          24 GLU  HN          4.50    (#    588:15  Unique         3.63, 4.16 A)
 &rst
  ixpk= 588, nxpk= 15, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 387, 388,
 &end
#
#   26 ASP  HN           24 GLU  HN          4.50    (#    590:15  Unique         3.97, 4.09 A)
 &rst
  ixpk= 590, nxpk= 15, iat= 422, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 ALA  HN           24 GLU  HN          4.50    (#    591:15  Unique         2.70, 2.76 A)
 &rst
  ixpk= 591, nxpk= 15, iat= 412, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 MET  HA           24 GLU  HN          4.50    (#    593:15  Unique         3.52, 3.55 A)
 &rst
  ixpk= 593, nxpk= 15, iat= 382, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 GLU  HA           24 GLU  HN          3.50    (#    594:15  Unique         2.81, 2.85 A)
 &rst
  ixpk= 594, nxpk= 15, iat= 399, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 MET  HG+          24 GLU  HN          4.50    (#    595:15  Unique         3.63, 4.16 A)
 &rst
  ixpk= 595, nxpk= 15, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 387, 388,
 &end
#
#   24 GLU  HG+          24 GLU  HN          4.50    (#    596:15  Unique         2.33, 3.06 A)
 &rst
  ixpk= 596, nxpk= 15, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 404, 405,
 &end
#
#   63 GLY  HN           60 VAL  HN          5.50    (#    599:15  Unique         4.67, 4.74 A)
 &rst
  ixpk= 599, nxpk= 15, iat=1007, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 ALA  HN           60 VAL  HN          2.80    (#    600:15  Unique         2.64, 2.69 A)
 &rst
  ixpk= 600, nxpk= 15, iat= 945, 955, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   58 GLU  HN           60 VAL  HN          5.50    (#    601:15  Unique         4.18, 4.23 A)
 &rst
  ixpk= 601, nxpk= 15, iat= 930, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 ALA  HA           60 VAL  HN          4.50    (#    602:15  Unique         3.60, 3.61 A)
 &rst
  ixpk= 602, nxpk= 15, iat= 947, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 VAL  HA           60 VAL  HN          3.50    (#    603:15  Unique         2.82, 2.82 A)
 &rst
  ixpk= 603, nxpk= 15, iat= 957, 955, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 VAL  HA           60 VAL  HN          5.50    (#    604:15  Unique         2.92, 3.12 A)
 &rst
  ixpk= 604, nxpk= 15, iat= 916, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 GLU  QB           60 VAL  HN          5.50    (#    605:15  Unique         5.28, 5.58 A)
 &rst
  ixpk= 605, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 934, 935,
 &end
#
#   60 VAL  HB           60 VAL  HN          2.80    (#    606:15  Unique         2.24, 2.30 A)
 &rst
  ixpk= 606, nxpk= 15, iat= 959, 955, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 ALA  QB           60 VAL  HN          2.80    (#    607:15  Unique         2.58, 3.44 A)
 &rst
  ixpk= 607, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 949, 950, 951,
 &end
#
#    0 AMB  15-2:608      0 AMB  15-1:608    5.50    (#    608:15  Double Ambig)
 &rst
  ixpk= 608, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 961, 962, 963,1147,1148,1149,1170,1171,1172,1174,
      1175,1176,
 igr2= 955,1134,
 &end
#
#   60 VAL  QG2          60 VAL  HN          2.80    (#    609:15  Unique         2.40, 3.27 A)
 &rst
  ixpk= 609, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 965, 966, 967,
 &end
#
#   62 ASN  HN           60 VAL  HN          5.50    (#    610:15  Unique         4.01, 4.04 A)
 &rst
  ixpk= 610, nxpk= 15, iat= 993, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 TYR  HA           22 GLN  HN          5.50    (#    611:15  Unique         3.32, 3.41 A)
 &rst
  ixpk= 611, nxpk= 15, iat= 308, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 GLN  HA           22 GLN  HN          4.50    (#    612:15  Unique         2.82, 2.83 A)
 &rst
  ixpk= 612, nxpk= 15, iat= 365, 363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLN  HB2          22 GLN  HN          2.80    (#    613:15  Unique         2.65, 2.68 A)
 &rst
  ixpk= 613, nxpk= 15, iat= 367, 363, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   21 VAL  HB           22 GLN  HN          4.50    (#    614:15  Unique         2.59, 2.76 A)
 &rst
  ixpk= 614, nxpk= 15, iat= 351, 363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 VAL  QG+          22 GLN  HN          4.50    (#    615:15  Unique         3.49, 4.62 A)
 &rst
  ixpk= 615, nxpk= 15, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#   21 VAL  QG-          22 GLN  HN          5.50    (#    616:15  Unique         3.49, 4.62 A)
 &rst
  ixpk= 616, nxpk= 15, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#   21 VAL  HA           24 GLU  HN          4.50    (#    617:15  Unique         3.36, 3.46 A)
 &rst
  ixpk= 617, nxpk= 15, iat= 349, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:622     23 MET  HN          4.50    (#    622:15  Single Ambig)
 &rst
  ixpk= 622, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 329, 308,
 &end
#
#   22 GLN  HA           23 MET  HN          4.50    (#    624:15  Unique         3.57, 3.57 A)
 &rst
  ixpk= 624, nxpk= 15, iat= 365, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:625     23 MET  HN          2.80    (#    625:15  Single Ambig)
 &rst
  ixpk= 625, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 387, 388, 368,
 &end
#
#   12 VAL  HN           13 GLN  HN          2.80    (#    626:15  Unique         2.19, 2.26 A)
 &rst
  ixpk= 626, nxpk= 15, iat= 199, 215, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 ARG  HA           13 GLN  HN          4.50    (#    627:15  Unique         3.16, 3.29 A)
 &rst
  ixpk= 627, nxpk= 15, iat= 177, 215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 VAL  HA           13 GLN  HN          4.50    (#    628:15  Unique         2.99, 3.16 A)
 &rst
  ixpk= 628, nxpk= 15, iat= 201, 215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 GLN  HB3          13 GLN  HN          5.50    (#    629:15  Unique         3.41, 3.71 A)
 &rst
  ixpk= 629, nxpk= 15, iat= 220, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 VAL  QG-          13 GLN  HN          3.50    (#    630:15  Unique         2.45, 4.30 A)
 &rst
  ixpk= 630, nxpk= 15, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 245, 246, 247, 249, 250, 251,
 &end
#
#   13 GLN  HB2          13 GLN  HN          3.50    (#    631:15  Unique         2.75, 2.87 A)
 &rst
  ixpk= 631, nxpk= 15, iat= 219, 215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 GLN  HG-          13 GLN  HN          5.50    (#    632:15  Unique         3.69, 4.42 A)
 &rst
  ixpk= 632, nxpk= 15, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 222, 223,
 &end
#
#    0 AMB  15-2:634     23 MET  HN          3.50    (#    634:15  Single Ambig)
 &rst
  ixpk= 634, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 397, 375, 376,
 &end
#
#   22 GLN  QG           23 MET  HN          4.50    (#    635:15  Unique         4.47, 4.74 A)
 &rst
  ixpk= 635, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 370, 371,
 &end
#
#   23 MET  HG+          23 MET  HN          2.80    (#    636:15  Unique         2.19, 4.34 A)
 &rst
  ixpk= 636, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 387, 388,
 &end
#
#   13 GLN  HG+          13 GLN  HN          4.50    (#    638:15  Unique         3.69, 4.42 A)
 &rst
  ixpk= 638, nxpk= 15, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 222, 223,
 &end
#
#   12 VAL  QG+          13 GLN  HN          5.50    (#    639:15  Unique         3.67, 4.91 A)
 &rst
  ixpk= 639, nxpk= 15, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   40 GLY  HA+          41 ARG  HN          4.50    (#    640:15  Unique         3.04, 3.33 A)
 &rst
  ixpk= 640, nxpk= 15, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 664, 665,
 &end
#
#   37 ARG  HB3          41 ARG  HN          4.50    (#    641:15  Unique         3.69, 4.05 A)
 &rst
  ixpk= 641, nxpk= 15, iat= 619, 669, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:642     41 ARG  HN          5.50    (#    642:15  Single Ambig)
 &rst
  ixpk= 642, nxpk= 15, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 127, 128, 129, 134, 135, 136,
 &end
#
#   42 VAL  HN           41 ARG  HN          4.50    (#    643:15  Unique         4.56, 4.60 A)
 &rst
  ixpk= 643, nxpk= 15, iat= 693, 669, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 GLY  HN           41 ARG  HN          3.50    (#    644:15  Unique         2.41, 2.60 A)
 &rst
  ixpk= 644, nxpk= 15, iat= 662, 669, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 ARG  HA           41 ARG  HN          3.50    (#    645:15  Unique         2.83, 2.92 A)
 &rst
  ixpk= 645, nxpk= 15, iat= 671, 669, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 GLY  HA-          41 ARG  HN          4.50    (#    646:15  Unique         3.04, 3.33 A)
 &rst
  ixpk= 646, nxpk= 15, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 664, 665,
 &end
#
#   41 ARG  QD           41 ARG  HN          5.50    (#    647:15  Unique         2.17, 3.16 A)
 &rst
  ixpk= 647, nxpk= 15, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 679, 680,
 &end
#
#   41 ARG  QB           41 ARG  HN          2.80    (#    648:15  Unique         2.15, 2.92 A)
 &rst
  ixpk= 648, nxpk= 15, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 673, 674,
 &end
#
#   41 ARG  HG-          41 ARG  HN          3.50    (#    649:15  Unique         2.43, 3.91 A)
 &rst
  ixpk= 649, nxpk= 15, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 676, 677,
 &end
#
#   18 ARG  HB-          18 ARG  HN          4.50    (#    650:15  Unique         2.33, 3.17 A)
 &rst
  ixpk= 650, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 286, 287,
 &end
#
#   77 SER  HB+          79 SER  HN          4.50    (#    652:15  Unique         2.62, 3.10 A)
 &rst
  ixpk= 652, nxpk= 15, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1213,1214,
 &end
#
#   78 ARG  HN           79 SER  HN          3.50    (#    653:15  Unique         1.96, 2.25 A)
 &rst
  ixpk= 653, nxpk= 15, iat=1220,1244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:654      0 AMB  15-1:654    2.80    (#    654:15  Double Ambig)
 &rst
  ixpk= 654, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1246,1222,
 igr2=1244,  40,
 &end
#
#   79 SER  HB2          79 SER  HN          3.50    (#    655:15  Unique         2.53, 2.80 A)
 &rst
  ixpk= 655, nxpk= 15, iat=1248,1244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:656     79 SER  HN          2.80    (#    656:15  Single Ambig)
 &rst
  ixpk= 656, nxpk= 15, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1213,1214,1249,
 &end
#
#    0 AMB  15-2:657      0 AMB  15-1:657    3.50    (#    657:15  Double Ambig)
 &rst
  ixpk= 657, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1224,1225,1227,1228,
 igr2=1244,  40,
 &end
#
#   48 GLY  HN            3 GLN  HN          5.50    (#    658:15  Unique         4.81, 5.04 A)
 &rst
  ixpk= 658, nxpk= 15, iat= 787,  40, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 ARG  HN           41 ARG  HN          5.50    (#    660:15  Unique         3.85, 4.05 A)
 &rst
  ixpk= 660, nxpk= 15, iat= 614, 669, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 ARG  HA           18 ARG  HN          4.50    (#    661:15  Unique         2.82, 2.84 A)
 &rst
  ixpk= 661, nxpk= 15, iat= 284, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ARG  HB+          18 ARG  HN          4.50    (#    663:15  Unique         2.33, 3.17 A)
 &rst
  ixpk= 663, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 286, 287,
 &end
#
#   53 LEU  HN           54 GLN  HN          3.50    (#    666:15  Unique         2.76, 2.81 A)
 &rst
  ixpk= 666, nxpk= 15, iat= 847, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 SER  HN           54 GLN  HN          3.50    (#    667:15  Unique         2.87, 2.98 A)
 &rst
  ixpk= 667, nxpk= 15, iat= 883, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 ALA  HN           54 GLN  HN          5.50    (#    668:15  Unique         3.64, 4.13 A)
 &rst
  ixpk= 668, nxpk= 15, iat= 837, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 ASN  HA           54 GLN  HN          5.50    (#    669:15  Unique         3.29, 3.51 A)
 &rst
  ixpk= 669, nxpk= 15, iat= 825, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:670     54 GLN  HN          5.50    (#    670:15  Single Ambig)
 &rst
  ixpk= 670, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 839, 885,
 &end
#
#   54 GLN  HA           54 GLN  HN          3.50    (#    671:15  Unique         2.80, 2.81 A)
 &rst
  ixpk= 671, nxpk= 15, iat= 868, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 GLN  HG+          54 GLN  HN          3.50    (#    672:15  Unique         2.32, 3.11 A)
 &rst
  ixpk= 672, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 873, 874,
 &end
#
#   54 GLN  HG-          54 GLN  HN          3.50    (#    673:15  Unique         2.32, 3.11 A)
 &rst
  ixpk= 673, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 873, 874,
 &end
#
#   54 GLN  HB3          54 GLN  HN          4.50    (#    674:15  Unique         3.50, 3.53 A)
 &rst
  ixpk= 674, nxpk= 15, iat= 871, 866, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 GLN  HB2          54 GLN  HN          3.50    (#    675:15  Unique         2.22, 2.28 A)
 &rst
  ixpk= 675, nxpk= 15, iat= 870, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LEU  HB2          54 GLN  HN          4.50    (#    676:15  Unique         2.63, 2.84 A)
 &rst
  ixpk= 676, nxpk= 15, iat= 851, 866, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  HB3          54 GLN  HN          5.50    (#    678:15  Unique         2.80, 3.57 A)
 &rst
  ixpk= 678, nxpk= 15, iat= 852, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LEU  QD-          54 GLN  HN          5.50    (#    679:15  Unique         2.99, 5.73 A)
 &rst
  ixpk= 679, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   80 LEU  HN           79 SER  HN          4.50    (#    682:15  Unique         2.79, 3.32 A)
 &rst
  ixpk= 682, nxpk= 15, iat=1255,1244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:683      0 AMB  15-1:683    5.50    (#    683:15  Double Ambig)
 &rst
  ixpk= 683, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1264,1265,1266,1268,1269,1270, 752, 753, 754, 756,
       757, 758,1264,1265,1266,1268,1269,1270,
 igr2=1244,  40,
 &end
#
#    4 TYR  HN            3 GLN  HN          4.50    (#    684:15  Unique         4.32, 4.43 A)
 &rst
  ixpk= 684, nxpk= 15, iat=  57,  40, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 SER  HN            3 GLN  HN          3.50    (#    685:15  Unique         2.75, 3.03 A)
 &rst
  ixpk= 685, nxpk= 15, iat=1209,  40, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 LEU  HA            3 GLN  HN          2.80    (#    686:15  Unique         2.46, 2.55 A)
 &rst
  ixpk= 686, nxpk= 15, iat=  23,  40, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    3 GLN  HB2           0 AMB  15-1:687    4.50    (#    687:15  Single Ambig)
 &rst
  ixpk= 687, nxpk= 15, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  40,1244,
 &end
#
#    2 LEU  HB+           3 GLN  HN          5.50    (#    688:15  Unique         2.76, 3.63 A)
 &rst
  ixpk= 688, nxpk= 15, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  25,  26,
 &end
#
#    0 AMB  15-2:689      3 GLN  HN          4.50    (#    689:15  Single Ambig)
 &rst
  ixpk= 689, nxpk= 15, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 &end
#
#    3 GLN  HB3           0 AMB  15-1:690    4.50    (#    690:15  Single Ambig)
 &rst
  ixpk= 690, nxpk= 15, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  40,1244,
 &end
#
#   57 VAL  QG+          54 GLN  HN          5.50    (#    693:15  Unique         4.38, 6.74 A)
 &rst
  ixpk= 693, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#    3 GLN  HA            3 GLN  HN          4.50    (#    694:15  Unique         2.93, 2.97 A)
 &rst
  ixpk= 694, nxpk= 15, iat=  42,  40, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 LEU  QD-           0 AMB  15-1:695    5.50    (#    695:15  Single Ambig)
 &rst
  ixpk= 695, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1264,1265,1266,1268,1269,1270,
 igr2=1244,  40,
 &end
#
#   60 VAL  HN           58 GLU  HN          4.50    (#    696:15  Unique         4.18, 4.23 A)
 &rst
  ixpk= 696, nxpk= 15, iat= 955, 930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 PHE  HA           58 GLU  HN          4.50    (#    697:15  Unique         4.28, 4.36 A)
 &rst
  ixpk= 697, nxpk= 15, iat= 896, 930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 VAL  HA           58 GLU  HN          4.50    (#    698:15  Unique         3.60, 3.62 A)
 &rst
  ixpk= 698, nxpk= 15, iat= 916, 930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 VAL  QG-          58 GLU  HN          4.50    (#    699:15  Unique         3.64, 4.67 A)
 &rst
  ixpk= 699, nxpk= 15, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#   57 VAL  HN           58 GLU  HN          3.50    (#    700:15  Unique         2.65, 2.74 A)
 &rst
  ixpk= 700, nxpk= 15, iat= 914, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 ALA  HN           58 GLU  HN          2.80    (#    701:15  Unique         2.76, 2.80 A)
 &rst
  ixpk= 701, nxpk= 15, iat= 945, 930, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   55 SER  HA           58 GLU  HN          5.50    (#    702:15  Unique         3.08, 3.16 A)
 &rst
  ixpk= 702, nxpk= 15, iat= 885, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 GLN  HA           58 GLU  HN          5.50    (#    703:15  Unique         4.14, 4.25 A)
 &rst
  ixpk= 703, nxpk= 15, iat= 868, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 GLU  HA           58 GLU  HN          3.50    (#    704:15  Unique         2.82, 2.83 A)
 &rst
  ixpk= 704, nxpk= 15, iat= 932, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:705     58 GLU  HN          2.80    (#    705:15  Single Ambig)
 &rst
  ixpk= 705, nxpk= 15, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 937, 938, 918,
 &end
#
#   58 GLU  QB           58 GLU  HN          2.80    (#    706:15  Unique         2.41, 3.08 A)
 &rst
  ixpk= 706, nxpk= 15, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 934, 935,
 &end
#
#   61 LYS  QG           58 GLU  HN          4.50    (#    707:15  Unique         4.54, 5.39 A)
 &rst
  ixpk= 707, nxpk= 15, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 978, 979,
 &end
#
#   57 VAL  QG+          58 GLU  HN          4.50    (#    708:15  Unique         3.64, 4.67 A)
 &rst
  ixpk= 708, nxpk= 15, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#   56 PHE  HN           58 GLU  HN          5.50    (#    709:15  Unique         3.93, 4.08 A)
 &rst
  ixpk= 709, nxpk= 15, iat= 894, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 GLY  HN           61 LYS  HN          4.50    (#    711:15  Unique         4.28, 4.34 A)
 &rst
  ixpk= 711, nxpk= 15, iat=1007, 971, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:712     61 LYS  HN          4.50    (#    712:15  Single Ambig)
 &rst
  ixpk= 712, nxpk= 15, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 981, 982,1138,
 &end
#
#   61 LYS  QG           61 LYS  HN          3.50    (#    713:15  Unique         2.21, 2.84 A)
 &rst
  ixpk= 713, nxpk= 15, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 978, 979,
 &end
#
#    0 AMB  15-2:714     61 LYS  HN          4.50    (#    714:15  Single Ambig)
 &rst
  ixpk= 714, nxpk= 15, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
 igr1= 920, 921, 922, 924, 925, 926,1098,1099,1100,1102,
      1103,1104,1098,1099,1100,1102,1103,1104,1144,1145,
       146, 147, 148, 150, 151, 152,
 &end
#
#   62 ASN  HN           61 LYS  HN          3.50    (#    718:15  Unique         2.73, 2.76 A)
 &rst
  ixpk= 718, nxpk= 15, iat= 993, 971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 GLU  HA           61 LYS  HN          5.50    (#    719:15  Unique         3.50, 3.52 A)
 &rst
  ixpk= 719, nxpk= 15, iat= 932, 971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 LYS  HA           61 LYS  HN          3.50    (#    720:15  Unique         2.86, 2.87 A)
 &rst
  ixpk= 720, nxpk= 15, iat= 973, 971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 VAL  HA           61 LYS  HN          5.50    (#    721:15  Unique         3.95, 4.00 A)
 &rst
  ixpk= 721, nxpk= 15, iat= 916, 971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:723     61 LYS  HN          3.50    (#    723:15  Single Ambig)
 &rst
  ixpk= 723, nxpk= 15, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1147,1148,1149, 961, 962, 963,
 &end
#
#   60 VAL  HA           61 LYS  HN          4.50    (#    726:15  Unique         3.60, 3.61 A)
 &rst
  ixpk= 726, nxpk= 15, iat= 957, 971, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 ARG  HB2          39 ASP  HN          5.50    (#    727:15  Unique         3.16, 3.44 A)
 &rst
  ixpk= 727, nxpk= 15, iat= 618, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 LYS  HN           30 LEU  HN          3.50    (#    728:15  Unique         2.80, 2.82 A)
 &rst
  ixpk= 728, nxpk= 15, iat= 480, 502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 ASP  HA           30 LEU  HN          5.50    (#    730:15  Unique         3.51, 3.86 A)
 &rst
  ixpk= 730, nxpk= 15, iat= 424, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 LEU  HA           30 LEU  HN          3.50    (#    731:15  Unique         2.86, 2.88 A)
 &rst
  ixpk= 731, nxpk= 15, iat= 504, 502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 LYS  HA           30 LEU  HN          5.50    (#    732:15  Unique         2.63, 2.68 A)
 &rst
  ixpk= 732, nxpk= 15, iat= 482, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 ALA  HA           30 LEU  HN          4.50    (#    733:15  Unique         3.14, 3.59 A)
 &rst
  ixpk= 733, nxpk= 15, iat= 414, 502, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LEU  HG           30 LEU  HN          2.80    (#    734:15  Unique         2.25, 2.42 A)
 &rst
  ixpk= 734, nxpk= 15, iat= 509, 502, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 LEU  HB2          30 LEU  HN          4.50    (#    735:15  Unique         2.40, 2.48 A)
 &rst
  ixpk= 735, nxpk= 15, iat= 506, 502, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LEU  HB3          30 LEU  HN          4.50    (#    736:15  Unique         3.56, 3.58 A)
 &rst
  ixpk= 736, nxpk= 15, iat= 507, 502, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LEU  QD-          30 LEU  HN          4.50    (#    737:15  Unique         2.65, 4.33 A)
 &rst
  ixpk= 737, nxpk= 15, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#    0 AMB  15-2:738     30 LEU  HN          3.50    (#    738:15  Single Ambig)
 &rst
  ixpk= 738, nxpk= 15, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 511, 512, 513, 515, 516, 517, 416, 417, 418,
 &end
#
#   76 GLU  HN           77 SER  HN          4.50    (#    740:15  Unique         4.32, 4.41 A)
 &rst
  ixpk= 740, nxpk= 15, iat=1194,1209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:741     77 SER  HN          4.50    (#    741:15  Single Ambig)
 &rst
  ixpk= 741, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 &end
#
#    3 GLN  HN           77 SER  HN          3.50    (#    742:15  Unique         2.75, 3.03 A)
 &rst
  ixpk= 742, nxpk= 15, iat=  40,1209, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:743     77 SER  HN          5.50    (#    743:15  Single Ambig)
 &rst
  ixpk= 743, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  52,  53,  65,  74,
 &end
#
#    4 TYR  HA           77 SER  HN          5.50    (#    744:15  Unique         3.18, 3.40 A)
 &rst
  ixpk= 744, nxpk= 15, iat=  59,1209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 GLU  HA           77 SER  HN          2.80    (#    745:15  Unique         2.23, 2.31 A)
 &rst
  ixpk= 745, nxpk= 15, iat=1196,1209, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   77 SER  HB+          77 SER  HN          4.50    (#    748:15  Unique         2.91, 3.52 A)
 &rst
  ixpk= 748, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1213,1214,
 &end
#
#   77 SER  HB-          77 SER  HN          3.50    (#    749:15  Unique         2.91, 3.52 A)
 &rst
  ixpk= 749, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1213,1214,
 &end
#
#   76 GLU  QB           77 SER  HN          4.50    (#    750:15  Unique         2.45, 3.36 A)
 &rst
  ixpk= 750, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1198,1199,
 &end
#
#   41 ARG  HN           39 ASP  HN          5.50    (#    751:15  Unique         3.96, 4.16 A)
 &rst
  ixpk= 751, nxpk= 15, iat= 669, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ASP  HA           39 ASP  HN          4.50    (#    752:15  Unique         3.47, 3.50 A)
 &rst
  ixpk= 752, nxpk= 15, iat= 640, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:754     39 ASP  HN          3.50    (#    754:15  Single Ambig)
 &rst
  ixpk= 754, nxpk= 15, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 652, 616,
 &end
#
#   39 ASP  HB2          39 ASP  HN          4.50    (#    755:15  Unique         2.34, 2.85 A)
 &rst
  ixpk= 755, nxpk= 15, iat= 654, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 ASP  QB           39 ASP  HN          4.50    (#    756:15  Unique         2.90, 3.57 A)
 &rst
  ixpk= 756, nxpk= 15, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 642, 643,
 &end
#
#   39 ASP  HB3          39 ASP  HN          4.50    (#    757:15  Unique         2.29, 2.41 A)
 &rst
  ixpk= 757, nxpk= 15, iat= 655, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 ARG  HB3          39 ASP  HN          4.50    (#    758:15  Unique         2.21, 2.47 A)
 &rst
  ixpk= 758, nxpk= 15, iat= 619, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 LYS  HN           28 ARG  HN          2.80    (#    761:15  Unique         2.26, 2.36 A)
 &rst
  ixpk= 761, nxpk= 15, iat= 480, 456, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 LEU  HN           28 ARG  HN          4.50    (#    762:15  Unique         3.36, 3.55 A)
 &rst
  ixpk= 762, nxpk= 15, iat= 502, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ARG  HA           28 ARG  HN          4.50    (#    763:15  Unique         2.96, 2.98 A)
 &rst
  ixpk= 763, nxpk= 15, iat= 458, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LYS  HA           28 ARG  HN          4.50    (#    764:15  Unique         3.36, 3.51 A)
 &rst
  ixpk= 764, nxpk= 15, iat= 436, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ARG  HB3          28 ARG  HN          5.50    (#    765:15  Unique         2.39, 2.56 A)
 &rst
  ixpk= 765, nxpk= 15, iat= 461, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 LYS  QB           28 ARG  HN          5.50    (#    766:15  Unique         3.79, 4.02 A)
 &rst
  ixpk= 766, nxpk= 15, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 438, 439,
 &end
#
#   27 LYS  QG           28 ARG  HN          4.50    (#    767:15  Unique         2.41, 2.78 A)
 &rst
  ixpk= 767, nxpk= 15, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 441, 442,
 &end
#
#    0 AMB  15-2:768     28 ARG  HN          4.50    (#    768:15  Single Ambig)
 &rst
  ixpk= 768, nxpk= 15, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 509, 487, 488,
 &end
#
#   28 ARG  HB2          28 ARG  HN          3.50    (#    769:15  Unique         2.82, 2.92 A)
 &rst
  ixpk= 769, nxpk= 15, iat= 460, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  HN           29 LYS  HN          3.50    (#    770:15  Unique         2.80, 2.82 A)
 &rst
  ixpk= 770, nxpk= 15, iat= 502, 480, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 ARG  HN           29 LYS  HN          2.80    (#    771:15  Unique         2.26, 2.36 A)
 &rst
  ixpk= 771, nxpk= 15, iat= 456, 480, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 ASP  HA           29 LYS  HN          3.50    (#    772:15  Unique         2.87, 3.21 A)
 &rst
  ixpk= 772, nxpk= 15, iat= 424, 480, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 ARG  HA           29 LYS  HN          4.50    (#    773:15  Unique         3.17, 3.26 A)
 &rst
  ixpk= 773, nxpk= 15, iat= 458, 480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 LYS  HA           29 LYS  HN          2.80    (#    774:15  Unique         2.22, 2.23 A)
 &rst
  ixpk= 774, nxpk= 15, iat= 482, 480, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-2:775     29 LYS  HN          4.50    (#    775:15  Single Ambig)
 &rst
  ixpk= 775, nxpk= 15, iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 484, 485, 461,
 &end
#
#   29 LYS  HD+          29 LYS  HN          4.50    (#    776:15  Unique         2.95, 4.79 A)
 &rst
  ixpk= 776, nxpk= 15, iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 490, 491,
 &end
#
#   29 LYS  QG           29 LYS  HN          3.50    (#    777:15  Unique         2.67, 3.19 A)
 &rst
  ixpk= 777, nxpk= 15, iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 487, 488,
 &end
#
#   28 ARG  HB2          29 LYS  HN          4.50    (#    778:15  Unique         4.44, 4.49 A)
 &rst
  ixpk= 778, nxpk= 15, iat= 460, 480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 ALA  HN           51 ASN  HN          4.50    (#    783:15  Unique         2.26, 2.75 A)
 &rst
  ixpk= 783, nxpk= 15, iat= 837, 823, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:785     51 ASN  HN          4.50    (#    785:15  Single Ambig)
 &rst
  ixpk= 785, nxpk= 15, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 825, 804,
 &end
#
#   51 ASN  QB           51 ASN  HN          4.50    (#    786:15  Unique         2.44, 2.54 A)
 &rst
  ixpk= 786, nxpk= 15, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 827, 828,
 &end
#
#    0 AMB  15-2:787     51 ASN  HN          4.50    (#    787:15  Single Ambig)
 &rst
  ixpk= 787, nxpk= 15, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 812, 813, 801, 802,
 &end
#
#   68 LYS  HN           67 SER  HN          5.50    (#    789:15  Unique         4.55, 4.56 A)
 &rst
  ixpk= 789, nxpk= 15, iat=1070,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:792     67 SER  HN          2.80    (#    792:15  Single Ambig)
 &rst
  ixpk= 792, nxpk= 15, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1061,1041,
 &end
#
#   65 PRO  HA           67 SER  HN          5.50    (#    793:15  Unique         3.72, 3.96 A)
 &rst
  ixpk= 793, nxpk= 15, iat=1035,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 SER  QB           67 SER  HN          3.50    (#    794:15  Unique         2.43, 3.03 A)
 &rst
  ixpk= 794, nxpk= 15, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1063,1064,
 &end
#
#   66 PHE  HB+          67 SER  HN          5.50    (#    795:15  Unique         3.08, 3.70 A)
 &rst
  ixpk= 795, nxpk= 15, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1043,1044,
 &end
#
#   66 PHE  HB-          67 SER  HN          5.50    (#    796:15  Unique         3.08, 3.70 A)
 &rst
  ixpk= 796, nxpk= 15, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1043,1044,
 &end
#
#   61 LYS  HN           62 ASN  HN          3.50    (#    797:15  Unique         2.73, 2.76 A)
 &rst
  ixpk= 797, nxpk= 15, iat= 971, 993, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 GLY  HN           62 ASN  HN          3.50    (#    798:15  Unique         1.98, 2.09 A)
 &rst
  ixpk= 798, nxpk= 15, iat=1007, 993, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 ASN  HA           62 ASN  HN          3.50    (#    799:15  Unique         2.97, 2.98 A)
 &rst
  ixpk= 799, nxpk= 15, iat= 995, 993, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 ALA  HA           62 ASN  HN          5.50    (#    800:15  Unique         3.36, 3.45 A)
 &rst
  ixpk= 800, nxpk= 15, iat= 947, 993, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 ASN  QB           62 ASN  HN          2.80    (#    801:15  Unique         2.58, 2.73 A)
 &rst
  ixpk= 801, nxpk= 15, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 997, 998,
 &end
#
#   62 ASN  HD2-         62 ASN  HN          5.50    (#    803:15  Unique         4.57, 5.25 A)
 &rst
  ixpk= 803, nxpk= 15, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1002,1003,
 &end
#
#   61 LYS  HA           62 ASN  HN          4.50    (#    804:15  Unique         3.20, 3.33 A)
 &rst
  ixpk= 804, nxpk= 15, iat= 973, 993, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 LYS  QG           62 ASN  HN          4.50    (#    805:15  Unique         3.48, 3.65 A)
 &rst
  ixpk= 805, nxpk= 15, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 978, 979,
 &end
#
#   33 TRP  HN           34 VAL  HN          5.50    (#    807:15  Unique         4.35, 4.38 A)
 &rst
  ixpk= 807, nxpk= 15, iat= 538, 562, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:809     34 VAL  HN          3.50    (#    809:15  Single Ambig)
 &rst
  ixpk= 809, nxpk= 15, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1404,1385,
 &end
#
#   33 TRP  HD1          34 VAL  HN          4.50    (#    811:15  Unique         3.56, 3.74 A)
 &rst
  ixpk= 811, nxpk= 15, iat= 546, 562, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLN  HE2-         34 VAL  HN          5.50    (#    812:15  Unique         8.89, 9.80 A)
 &rst
  ixpk= 812, nxpk= 15, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 375, 376,
 &end
#
#   34 VAL  HA           34 VAL  HN          4.50    (#    813:15  Unique         2.92, 2.94 A)
 &rst
  ixpk= 813, nxpk= 15, iat= 564, 562, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 TRP  HA           34 VAL  HN          2.80    (#    814:15  Unique         2.29, 2.35 A)
 &rst
  ixpk= 814, nxpk= 15, iat= 540, 562, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   88 ILE  HA           34 VAL  HN          3.50    (#    815:15  Unique         2.83, 2.94 A)
 &rst
  ixpk= 815, nxpk= 15, iat=1387, 562, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TRP  HB+          34 VAL  HN          3.50    (#    816:15  Unique         2.41, 3.15 A)
 &rst
  ixpk= 816, nxpk= 15, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 542, 543,
 &end
#
#   33 TRP  HB-          34 VAL  HN          3.50    (#    817:15  Unique         2.41, 3.15 A)
 &rst
  ixpk= 817, nxpk= 15, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 542, 543,
 &end
#
#   34 VAL  HB           34 VAL  HN          4.50    (#    818:15  Unique         3.20, 3.31 A)
 &rst
  ixpk= 818, nxpk= 15, iat= 566, 562, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 VAL  QG+          34 VAL  HN          3.50    (#    819:15  Unique         2.36, 4.05 A)
 &rst
  ixpk= 819, nxpk= 15, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#   34 VAL  QG-          34 VAL  HN          4.50    (#    820:15  Unique         2.36, 4.05 A)
 &rst
  ixpk= 820, nxpk= 15, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#   89 VAL  QG-          34 VAL  HN          4.50    (#    822:15  Unique         3.09, 5.58 A)
 &rst
  ixpk= 822, nxpk= 15, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   56 PHE  HN           55 SER  HN          2.80    (#    824:15  Unique         2.72, 2.75 A)
 &rst
  ixpk= 824, nxpk= 15, iat= 894, 883, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   53 LEU  HN           55 SER  HN          5.50    (#    825:15  Unique         4.38, 4.66 A)
 &rst
  ixpk= 825, nxpk= 15, iat= 847, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:826     55 SER  HN          2.80    (#    826:15  Single Ambig)
 &rst
  ixpk= 826, nxpk= 15, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 885, 839,
 &end
#
#    0 AMB  15-2:827      0 AMB  15-1:827    2.80    (#    827:15  Double Ambig)
 &rst
  ixpk= 827, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 887, 888,1035,
 igr2= 883,1002,1003,
 &end
#
#   55 SER  HB-          55 SER  HN          2.80    (#    828:15  Unique         2.53, 3.06 A)
 &rst
  ixpk= 828, nxpk= 15, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 887, 888,
 &end
#
#   54 GLN  HG-          55 SER  HN          5.50    (#    830:15  Unique         4.53, 4.86 A)
 &rst
  ixpk= 830, nxpk= 15, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 873, 874,
 &end
#
#   54 GLN  HB3          55 SER  HN          3.50    (#    831:15  Unique         3.11, 3.30 A)
 &rst
  ixpk= 831, nxpk= 15, iat= 871, 883, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:832     55 SER  HN          5.50    (#    832:15  Single Ambig)
 &rst
  ixpk= 832, nxpk= 15, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 930, 878, 879,
 &end
#
#   62 ASN  QB           62 ASN  HD2+        3.50    (#    837:15  Unique         2.38, 3.43 A)
 &rst
  ixpk= 837, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 997, 998,
 igr2=1002,1003,
 &end
#
#   54 GLN  HG+          55 SER  HN          5.50    (#    838:15  Unique         4.53, 4.86 A)
 &rst
  ixpk= 838, nxpk= 15, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 873, 874,
 &end
#
#   54 GLN  HB2          55 SER  HN          3.50    (#    839:15  Unique         2.49, 2.66 A)
 &rst
  ixpk= 839, nxpk= 15, iat= 870, 883, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 ASN  QB           62 ASN  HD2-        3.50    (#    845:15  Unique         2.38, 3.43 A)
 &rst
  ixpk= 845, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 997, 998,
 igr2=1002,1003,
 &end
#
#    0 AMB  15-2:847     66 PHE  HN          5.50    (#    847:15  Single Ambig)
 &rst
  ixpk= 847, nxpk= 15, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1043,1044,1026,1027,
 &end
#
#   65 PRO  HA           66 PHE  HN          4.50    (#    849:15  Unique         3.51, 3.53 A)
 &rst
  ixpk= 849, nxpk= 15, iat=1035,1039, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 PHE  HB-          66 PHE  HN          5.50    (#    850:15  Unique         2.55, 3.07 A)
 &rst
  ixpk= 850, nxpk= 15, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1043,1044,
 &end
#
#   81 GLU  QB            3 GLN  HE2+        4.50    (#    851:15  Unique         4.03, 6.03 A)
 &rst
  ixpk= 851, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1278,1279,
 igr2=  52,  53,
 &end
#
#   80 LEU  HA            3 GLN  HE2+        4.50    (#    853:15  Unique         4.61, 5.75 A)
 &rst
  ixpk= 853, nxpk= 15, iat=1257,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  52,  53,
 &end
#
#    3 GLN  HG-           3 GLN  HE2+        4.50    (#    854:15  Unique         2.46, 3.54 A)
 &rst
  ixpk= 854, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  47,  48,
 igr2=  52,  53,
 &end
#
#   81 GLU  HG+           3 GLN  HE2+        3.50    (#    855:15  Unique         3.19, 5.02 A)
 &rst
  ixpk= 855, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1281,1282,
 igr2=  52,  53,
 &end
#
#    3 GLN  HB3           3 GLN  HE2+        4.50    (#    856:15  Unique         3.41, 4.06 A)
 &rst
  ixpk= 856, nxpk= 15, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  52,  53,
 &end
#
#    3 GLN  HG+           3 GLN  HE2+        4.50    (#    857:15  Unique         2.46, 3.54 A)
 &rst
  ixpk= 857, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  47,  48,
 igr2=  52,  53,
 &end
#
#   45 LEU  QD-           3 GLN  HE2+        4.50    (#    858:15  Unique         3.48, 5.65 A)
 &rst
  ixpk= 858, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2=  52,  53,
 &end
#
#   45 LEU  QD+           3 GLN  HE2+        4.50    (#    859:15  Unique         3.48, 5.65 A)
 &rst
  ixpk= 859, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2=  52,  53,
 &end
#
#   51 ASN  QB           51 ASN  HD2+        4.50    (#    863:15  Unique         2.26, 3.36 A)
 &rst
  ixpk= 863, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 827, 828,
 igr2= 832, 833,
 &end
#
#    3 GLN  HG+           3 GLN  HE2-        5.50    (#    864:15  Unique         2.46, 3.54 A)
 &rst
  ixpk= 864, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  47,  48,
 igr2=  52,  53,
 &end
#
#    0 AMB  15-2:868      0 AMB  15-1:868    5.50    (#    868:15  Double Ambig)
 &rst
  ixpk= 868, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 839,1257,
 igr2= 832, 833,  52,  53,
 &end
#
#    3 GLN  HG-           3 GLN  HE2-        4.50    (#    870:15  Unique         2.46, 3.54 A)
 &rst
  ixpk= 870, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  47,  48,
 igr2=  52,  53,
 &end
#
#   81 GLU  HG-           3 GLN  HE2-        4.50    (#    871:15  Unique         3.19, 5.02 A)
 &rst
  ixpk= 871, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1281,1282,
 igr2=  52,  53,
 &end
#
#   81 GLU  QB            3 GLN  HE2-        5.50    (#    873:15  Unique         4.03, 6.03 A)
 &rst
  ixpk= 873, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1278,1279,
 igr2=  52,  53,
 &end
#
#   45 LEU  QD+           3 GLN  HE2-        4.50    (#    874:15  Unique         3.48, 5.65 A)
 &rst
  ixpk= 874, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2=  52,  53,
 &end
#
#   45 LEU  QD-           3 GLN  HE2-        4.50    (#    875:15  Unique         3.48, 5.65 A)
 &rst
  ixpk= 875, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2=  52,  53,
 &end
#
#   12 VAL  HA           12 VAL  HN          4.50    (#    877:15  Unique         2.97, 2.98 A)
 &rst
  ixpk= 877, nxpk= 15, iat= 201, 199, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 ARG  HG-          12 VAL  HN          4.50    (#    878:15  Unique         4.01, 4.50 A)
 &rst
  ixpk= 878, nxpk= 15, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 182, 183,
 &end
#
#   13 GLN  HN           12 VAL  HN          2.80    (#    879:15  Unique         2.19, 2.26 A)
 &rst
  ixpk= 879, nxpk= 15, iat= 215, 199, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 ARG  HA           12 VAL  HN          2.80    (#    880:15  Unique         2.23, 2.29 A)
 &rst
  ixpk= 880, nxpk= 15, iat= 177, 199, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 VAL  QG-          12 VAL  HN          3.50    (#    881:15  Unique         2.32, 3.44 A)
 &rst
  ixpk= 881, nxpk= 15, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   12 VAL  QG+          12 VAL  HN          4.50    (#    882:15  Unique         2.32, 3.44 A)
 &rst
  ixpk= 882, nxpk= 15, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#    0 AMB  15-2:894      0 AMB  15-1:894    4.50    (#    894:15  Double Ambig)
 &rst
  ixpk= 894, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 347,1385,
 igr2= 375, 376, 375, 376,
 &end
#
#   87 SER  HA           22 GLN  HE2+        4.50    (#    898:15  Unique         8.06, 8.80 A)
 &rst
  ixpk= 898, nxpk= 15, iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 375, 376,
 &end
#
#   22 GLN  QG           22 GLN  HE2+        3.50    (#    899:15  Unique         3.16, 3.71 A)
 &rst
  ixpk= 899, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 370, 371,
 igr2= 375, 376,
 &end
#
#   54 GLN  HG+          54 GLN  HE2+        4.50    (#    902:15  Unique         2.15, 3.29 A)
 &rst
  ixpk= 902, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 873, 874,
 igr2= 878, 879,
 &end
#
#   54 GLN  HG-          54 GLN  HE2+        3.50    (#    903:15  Unique         2.15, 3.29 A)
 &rst
  ixpk= 903, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 873, 874,
 igr2= 878, 879,
 &end
#
#   54 GLN  HB3          54 GLN  HE2+        4.50    (#    904:15  Unique         4.24, 4.49 A)
 &rst
  ixpk= 904, nxpk= 15, iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 878, 879,
 &end
#
#    0 AMB  15-2:905      0 AMB  15-1:905    4.50    (#    905:15  Double Ambig)
 &rst
  ixpk= 905, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 870,1198,1199,
 igr2= 878, 879, 878, 879,
 &end
#
#   41 ARG  QD           41 ARG  HE          4.50    (#    907:15  Unique         2.21, 2.76 A)
 &rst
  ixpk= 907, nxpk= 15, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 679, 680,
 &end
#
#   41 ARG  QB           41 ARG  HE          4.50    (#    908:15  Unique         2.32, 4.32 A)
 &rst
  ixpk= 908, nxpk= 15, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 673, 674,
 &end
#
#   41 ARG  HG-          41 ARG  HE          4.50    (#    909:15  Unique         2.25, 2.97 A)
 &rst
  ixpk= 909, nxpk= 15, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 676, 677,
 &end
#
#   54 GLN  HG-          54 GLN  HE2-        4.50    (#    914:15  Unique         2.15, 3.29 A)
 &rst
  ixpk= 914, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 873, 874,
 igr2= 878, 879,
 &end
#
#    0 AMB  15-2:915      0 AMB  15-1:915    5.50    (#    915:15  Double Ambig)
 &rst
  ixpk= 915, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 347,1385,  40,
 igr2= 375, 376, 878, 879,
 &end
#
#   87 SER  HA           22 GLN  HE2-        5.50    (#    918:15  Unique         8.06, 8.80 A)
 &rst
  ixpk= 918, nxpk= 15, iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 375, 376,
 &end
#
#   22 GLN  QG           22 GLN  HE2-        4.50    (#    919:15  Unique         3.16, 3.71 A)
 &rst
  ixpk= 919, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 370, 371,
 igr2= 375, 376,
 &end
#
#   37 ARG  HN           13 GLN  HE2+        5.50    (#    920:15  Unique         4.49, 7.33 A)
 &rst
  ixpk= 920, nxpk= 15, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 227, 228,
 &end
#
#    0 AMB  15-2:925     48 GLY  HN          5.50    (#    925:15  Single Ambig)
 &rst
  ixpk= 925, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 854, 766, 767, 768,
 &end
#
#   47 GLU  HN           48 GLY  HN          5.50    (#    926:15  Unique         4.22, 4.32 A)
 &rst
  ixpk= 926, nxpk= 15, iat= 772, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 GLN  HA           48 GLY  HN          4.50    (#    928:15  Unique         3.44, 3.53 A)
 &rst
  ixpk= 928, nxpk= 15, iat=  42, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:929     48 GLY  HN          3.50    (#    929:15  Single Ambig)
 &rst
  ixpk= 929, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 789, 790, 789, 790,
 &end
#
#    0 AMB  15-2:930     48 GLY  HN          4.50    (#    930:15  Single Ambig)
 &rst
  ixpk= 930, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=   6, 795, 796,
 &end
#
#   80 LEU  QD-          48 GLY  HN          4.50    (#    933:15  Unique         6.71, 9.36 A)
 &rst
  ixpk= 933, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1264,1265,1266,1268,1269,1270,
 &end
#
#   30 LEU  QD-          48 GLY  HN          4.50    (#    934:15  Unique         3.86, 5.72 A)
 &rst
  ixpk= 934, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   53 LEU  QD+          48 GLY  HN          4.50    (#    935:15  Unique         2.41, 3.97 A)
 &rst
  ixpk= 935, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   53 LEU  QD-          48 GLY  HN          3.50    (#    936:15  Unique         2.41, 3.97 A)
 &rst
  ixpk= 936, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   36 ASN  HB-          36 ASN  HD2+        3.50    (#    939:15  Unique         2.16, 3.43 A)
 &rst
  ixpk= 939, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 604, 605,
 igr2= 609, 610,
 &end
#
#   12 VAL  QG+          10 GLY  HN          4.50    (#    942:15  Unique         2.62, 4.23 A)
 &rst
  ixpk= 942, nxpk= 15, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   70 THR  HN           10 GLY  HN          5.50    (#    943:15  Unique         4.22, 4.28 A)
 &rst
  ixpk= 943, nxpk= 15, iat=1108, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 ARG  HN           10 GLY  HN          4.50    (#    944:15  Unique         4.40, 4.45 A)
 &rst
  ixpk= 944, nxpk= 15, iat= 175, 168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 ASP  HA           10 GLY  HN          2.80    (#    945:15  Unique         2.34, 2.36 A)
 &rst
  ixpk= 945, nxpk= 15, iat= 158, 168, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   10 GLY  HA+          10 GLY  HN          3.50    (#    946:15  Unique         2.46, 2.75 A)
 &rst
  ixpk= 946, nxpk= 15, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 170, 171,
 &end
#
#   11 ARG  HA           10 GLY  HN          5.50    (#    947:15  Unique         4.93, 5.08 A)
 &rst
  ixpk= 947, nxpk= 15, iat= 177, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 GLY  HA-          10 GLY  HN          3.50    (#    948:15  Unique         2.46, 2.75 A)
 &rst
  ixpk= 948, nxpk= 15, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 170, 171,
 &end
#
#    9 ASP  HB3          10 GLY  HN          5.50    (#    949:15  Unique         3.48, 3.61 A)
 &rst
  ixpk= 949, nxpk= 15, iat= 161, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 ASP  HB2          10 GLY  HN          5.50    (#    950:15  Unique         3.96, 4.03 A)
 &rst
  ixpk= 950, nxpk= 15, iat= 160, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:952     10 GLY  HN          5.50    (#    952:15  Single Ambig)
 &rst
  ixpk= 952, nxpk= 15, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1114,1115,1116, 699, 700, 701, 703, 704, 705,
 &end
#
#   12 VAL  QG-          10 GLY  HN          4.50    (#    953:15  Unique         2.62, 4.23 A)
 &rst
  ixpk= 953, nxpk= 15, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   83 HIS  HN           82 GLY  HN          2.80    (#    956:15  Unique         1.79, 2.15 A)
 &rst
  ixpk= 956, nxpk= 15, iat=1296,1289, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   81 GLU  HA           82 GLY  HN          4.50    (#    959:15  Unique         2.11, 2.38 A)
 &rst
  ixpk= 959, nxpk= 15, iat=1276,1289, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 GLY  HA+          82 GLY  HN          3.50    (#    960:15  Unique         2.29, 2.79 A)
 &rst
  ixpk= 960, nxpk= 15, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1291,1292,
 &end
#
#   82 GLY  HA-          82 GLY  HN          2.80    (#    961:15  Unique         2.29, 2.79 A)
 &rst
  ixpk= 961, nxpk= 15, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1291,1292,
 &end
#
#   81 GLU  QB           82 GLY  HN          4.50    (#    963:15  Unique         2.21, 3.88 A)
 &rst
  ixpk= 963, nxpk= 15, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1278,1279,
 &end
#
#   80 LEU  QB           82 GLY  HN          4.50    (#    964:15  Unique         3.73, 5.35 A)
 &rst
  ixpk= 964, nxpk= 15, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1259,1260,
 &end
#
#   86 PHE  HN           32 GLY  HN          5.50    (#    969:15  Unique         4.17, 4.43 A)
 &rst
  ixpk= 969, nxpk= 15, iat=1354, 531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 SER  HN           32 GLY  HN          5.50    (#    970:15  Unique         3.58, 3.77 A)
 &rst
  ixpk= 970, nxpk= 15, iat=1374, 531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:971     32 GLY  HN          2.80    (#    971:15  Single Ambig)
 &rst
  ixpk= 971, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1356, 533, 534,
 &end
#
#   31 ALA  HA           32 GLY  HN          2.80    (#    972:15  Unique         2.41, 2.45 A)
 &rst
  ixpk= 972, nxpk= 15, iat= 523, 531, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-2:973     32 GLY  HN          4.50    (#    973:15  Single Ambig)
 &rst
  ixpk= 973, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1340,1341,1300,
 &end
#
#   32 GLY  HA-          32 GLY  HN          3.50    (#    974:15  Unique         2.59, 2.81 A)
 &rst
  ixpk= 974, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 533, 534,
 &end
#
#   31 ALA  QB           32 GLY  HN          3.50    (#    975:15  Unique         2.44, 3.44 A)
 &rst
  ixpk= 975, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 525, 526, 527,
 &end
#
#   33 TRP  HA           32 GLY  HN          5.50    (#    976:15  Unique         4.66, 4.75 A)
 &rst
  ixpk= 976, nxpk= 15, iat= 540, 531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   86 PHE  HB2          32 GLY  HN          4.50    (#    977:15  Unique         3.66, 3.92 A)
 &rst
  ixpk= 977, nxpk= 15, iat=1358, 531, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 ARG  HN           40 GLY  HN          3.50    (#    979:15  Unique         2.41, 2.60 A)
 &rst
  ixpk= 979, nxpk= 15, iat= 669, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:981     40 GLY  HN          3.50    (#    981:15  Single Ambig)
 &rst
  ixpk= 981, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 652, 616,
 &end
#
#   40 GLY  HA+          40 GLY  HN          3.50    (#    982:15  Unique         2.29, 2.68 A)
 &rst
  ixpk= 982, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 664, 665,
 &end
#
#   40 GLY  HA-          40 GLY  HN          2.80    (#    983:15  Unique         2.29, 2.68 A)
 &rst
  ixpk= 983, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 664, 665,
 &end
#
#   62 ASN  HA           63 GLY  HN          4.50    (#    986:15  Unique         3.56, 3.56 A)
 &rst
  ixpk= 986, nxpk= 15, iat= 995,1007, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:987     63 GLY  HN          5.50    (#    987:15  Single Ambig)
 &rst
  ixpk= 987, nxpk= 15, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 975, 976, 697,
 &end
#
#   61 LYS  HN           63 GLY  HN          5.50    (#    988:15  Unique         4.28, 4.34 A)
 &rst
  ixpk= 988, nxpk= 15, iat= 971,1007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 LYS  HA           63 GLY  HN          5.50    (#    989:15  Unique         4.34, 4.46 A)
 &rst
  ixpk= 989, nxpk= 15, iat= 973,1007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 ASN  QB           63 GLY  HN          3.50    (#    990:15  Unique         2.56, 3.24 A)
 &rst
  ixpk= 990, nxpk= 15, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 997, 998,
 &end
#
#   62 ASN  HN           63 GLY  HN          3.50    (#    991:15  Unique         1.98, 2.09 A)
 &rst
  ixpk= 991, nxpk= 15, iat= 993,1007, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 ASN  HD2-         63 GLY  HN          5.50    (#    992:15  Unique         3.61, 4.51 A)
 &rst
  ixpk= 992, nxpk= 15, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1002,1003,
 &end
#
#   63 GLY  HA+          63 GLY  HN          3.50    (#    993:15  Unique         2.29, 2.61 A)
 &rst
  ixpk= 993, nxpk= 15, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1009,1010,
 &end
#
#   63 GLY  HA-          63 GLY  HN          2.80    (#    994:15  Unique         2.29, 2.61 A)
 &rst
  ixpk= 994, nxpk= 15, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1009,1010,
 &end
#
#    0 AMB  15-2:995     63 GLY  HN          4.50    (#    995:15  Single Ambig)
 &rst
  ixpk= 995, nxpk= 15, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104, 353, 354, 355, 357, 358, 359,
 &end
#
#   62 ASN  HD2+         63 GLY  HN          5.50    (#    996:15  Unique         3.61, 4.51 A)
 &rst
  ixpk= 996, nxpk= 15, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1002,1003,
 &end
#
#   50 GLU  HN            2 LEU  HN          5.50    (#    997:15  Unique         3.55, 3.97 A)
 &rst
  ixpk= 997, nxpk= 15, iat= 808,  21, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1002    10 GLY  HN          5.50    (#   1002:15  Single Ambig)
 &rst
  ixpk= 1002, nxpk= 15, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 199,1122, 227, 228,
 &end
#
#    0 AMB  15-2:1003    10 GLY  HN          5.50    (#   1003:15  Single Ambig)
 &rst
  ixpk= 1003, nxpk= 15, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 146, 147, 148, 150, 151, 152,1098,1099,1100,1102,
      1103,1104,1098,1099,1100,1102,1103,1104,
 &end
#
#    0 AMB  15-2:1004    11 ARG  HN          5.50    (#   1004:15  Single Ambig)
 &rst
  ixpk= 1004, nxpk= 15, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104, 146, 147, 148, 150, 151, 152,
 &end
#
#   11 ARG  HN           12 VAL  HN          5.50    (#   1005:15  Unique         3.79, 3.86 A)
 &rst
  ixpk= 1005, nxpk= 15, iat= 175, 199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 ARG  HB+          12 VAL  HN          5.50    (#   1006:15  Unique         4.47, 4.57 A)
 &rst
  ixpk= 1006, nxpk= 15, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   34 VAL  HN           35 LYS  HN          5.50    (#   1007:15  Unique         4.25, 4.31 A)
 &rst
  ixpk= 1007, nxpk= 15, iat= 562, 578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 LEU  QD+          28 ARG  HN          5.50    (#   1008:15  Unique         4.25, 5.68 A)
 &rst
  ixpk= 1008, nxpk= 15, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   26 ASP  HA           28 ARG  HN          5.50    (#   1009:15  Unique         3.85, 4.19 A)
 &rst
  ixpk= 1009, nxpk= 15, iat= 424, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 ASP  HN           28 ARG  HN          5.50    (#   1010:15  Unique         4.32, 4.44 A)
 &rst
  ixpk= 1010, nxpk= 15, iat= 422, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 ASP  HN           29 LYS  HN          5.50    (#   1011:15  Unique         4.73, 4.90 A)
 &rst
  ixpk= 1011, nxpk= 15, iat= 422, 480, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 ILE  QG2          34 VAL  HN          5.50    (#   1012:15  Unique         4.88, 5.85 A)
 &rst
  ixpk= 1012, nxpk= 15, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1391,1392,1393,
 &end
#
#   35 LYS  HN           36 ASN  HN          5.50    (#   1013:15  Unique         4.39, 4.42 A)
 &rst
  ixpk= 1013, nxpk= 15, iat= 578, 600, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 ARG  HN           39 ASP  HN          5.50    (#   1014:15  Unique         4.68, 4.85 A)
 &rst
  ixpk= 1014, nxpk= 15, iat= 614, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1015    40 GLY  HN          5.50    (#   1015:15  Single Ambig)
 &rst
  ixpk= 1015, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 604, 605, 642, 643,
 &end
#
#   37 ARG  HN           40 GLY  HN          5.50    (#   1016:15  Unique         3.83, 4.00 A)
 &rst
  ixpk= 1016, nxpk= 15, iat= 614, 662, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 SER  HN           66 PHE  HN          4.50    (#   1021:15  Unique         2.60, 2.63 A)
 &rst
  ixpk= 1021, nxpk= 15, iat=1059,1039, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 VAL  QG-          67 SER  HN          5.50    (#   1022:15  Unique         4.05, 5.11 A)
 &rst
  ixpk= 1022, nxpk= 15, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 245, 246, 247, 249, 250, 251,
 &end
#
#   36 ASN  HN           36 ASN  HD2+        5.50    (#   1023:15  Unique         2.93, 4.85 A)
 &rst
  ixpk= 1023, nxpk= 15, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 609, 610,
 &end
#
#   75 THR  HB            0 AMB  15-1:1025   3.50    (#   1025:15  Single Ambig)
 &rst
  ixpk= 1025, nxpk= 15, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1180,  78,
 &end
#
#   24 GLU  HG-          24 GLU  HN          4.50    (#   1026:15  Unique         2.33, 3.06 A)
 &rst
  ixpk= 1026, nxpk= 15, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 404, 405,
 &end
#
#   80 LEU  HN           81 GLU  HN          5.50    (#   1027:15  Unique         4.16, 4.41 A)
 &rst
  ixpk= 1027, nxpk= 15, iat=1255,1274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83 HIS  HN           81 GLU  HN          5.50    (#   1028:15  Unique         4.62, 5.71 A)
 &rst
  ixpk= 1028, nxpk= 15, iat=1296,1274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1029    81 GLU  HN          5.50    (#   1029:15  Single Ambig)
 &rst
  ixpk= 1029, nxpk= 15, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1291,1292,1249,
 &end
#
#   25 ALA  HA           28 ARG  HN          5.50    (#   1030:15  Unique         3.78, 4.03 A)
 &rst
  ixpk= 1030, nxpk= 15, iat= 414, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 LYS  QD           28 ARG  HN          4.50    (#   1031:15  Unique         2.49, 4.93 A)
 &rst
  ixpk= 1031, nxpk= 15, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 444, 445,
 &end
#
#   65 PRO  HB-          66 PHE  HN          5.50    (#   1032:15  Unique         2.74, 3.76 A)
 &rst
  ixpk= 1032, nxpk= 15, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1032,1033,
 &end
#
#   53 LEU  HA           57 VAL  HN          5.50    (#   1033:15  Unique         3.84, 4.00 A)
 &rst
  ixpk= 1033, nxpk= 15, iat= 849, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:0        2 LEU  HB-         2.80    (#      0:25  Single Ambig)
 &rst
  ixpk= 0, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 igr2=  25,  26,
 &end
#
#    3 GLN  HN            2 LEU  HB-         4.50    (#      1:25  Unique         2.76, 3.63 A)
 &rst
  ixpk= 1, nxpk= 25, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  25,  26,
 &end
#
#    2 LEU  HA            2 LEU  HB-         4.50    (#      2:25  Unique         2.51, 2.83 A)
 &rst
  ixpk= 2, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  25,  26,
 &end
#
#    2 LEU  HN            2 LEU  HB-         3.50    (#      4:25  Unique         2.61, 2.97 A)
 &rst
  ixpk= 4, nxpk= 25, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  25,  26,
 &end
#
#   53 LEU  QD-           2 LEU  HB-         3.50    (#      5:25  Unique         2.23, 5.33 A)
 &rst
  ixpk= 5, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2=  25,  26,
 &end
#
#   82 GLY  HN           82 GLY  HA+         2.80    (#      6:25  Unique         2.29, 2.79 A)
 &rst
  ixpk= 6, nxpk= 25, iat=1289,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1291,1292,
 &end
#
#   82 GLY  HN           82 GLY  HA-         2.80    (#      8:25  Unique         2.29, 2.79 A)
 &rst
  ixpk= 8, nxpk= 25, iat=1289,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1291,1292,
 &end
#
#   83 HIS  HN           82 GLY  HA-         3.50    (#      9:25  Unique         2.72, 3.31 A)
 &rst
  ixpk= 9, nxpk= 25, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1291,1292,
 &end
#
#   83 HIS  HN           82 GLY  HA+         4.50    (#     11:25  Unique         2.72, 3.31 A)
 &rst
  ixpk= 11, nxpk= 25, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1291,1292,
 &end
#
#   30 LEU  QD-          48 GLY  HA+         2.80    (#     12:25  Unique         2.03, 4.15 A)
 &rst
  ixpk= 12, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 789, 790,
 &end
#
#   49 PRO  HD-          48 GLY  HA+         2.80    (#     13:25  Unique         2.22, 2.80 A)
 &rst
  ixpk= 13, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 795, 796,
 igr2= 789, 790,
 &end
#
#   30 LEU  QD-          48 GLY  HA-         3.50    (#     14:25  Unique         2.03, 4.15 A)
 &rst
  ixpk= 14, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 789, 790,
 &end
#
#   48 GLY  HN           48 GLY  HA-         3.50    (#     15:25  Unique         2.65, 2.83 A)
 &rst
  ixpk= 15, nxpk= 25, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 789, 790,
 &end
#
#    1 MET  QE           48 GLY  HA-         4.50    (#     16:25  Unique         2.10, 3.59 A)
 &rst
  ixpk= 16, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  15,  16,  17,
 igr2= 789, 790,
 &end
#
#   41 ARG  HN           40 GLY  HA-         4.50    (#     17:25  Unique         3.04, 3.33 A)
 &rst
  ixpk= 17, nxpk= 25, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 664, 665,
 &end
#
#   41 ARG  QD            9 ASP  HB2         4.50    (#     19:25  Unique         2.33, 4.32 A)
 &rst
  ixpk= 19, nxpk= 25, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 679, 680,
 &end
#
#    0 AMB  25-3:20       9 ASP  HB2         4.50    (#     20:25  Single Ambig)
 &rst
  ixpk= 20, nxpk= 25, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 156, 168,
 &end
#
#   41 ARG  HG+           9 ASP  HB2         5.50    (#     21:25  Unique         2.40, 3.18 A)
 &rst
  ixpk= 21, nxpk= 25, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 676, 677,
 &end
#
#   17 PHE  HZ           63 GLY  HA+         5.50    (#     22:25  Unique         3.64, 4.30 A)
 &rst
  ixpk= 22, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1009,1010,
 &end
#
#    0 AMB  25-3:23       0 AMB  25-1:23     4.50    (#     23:25  Double Ambig)
 &rst
  ixpk= 23, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104, 353, 354, 355, 357, 358, 359,
 igr2=1009,1010,1009,1010,1009,1010,
 &end
#
#   63 GLY  HN           63 GLY  HA+         2.80    (#     24:25  Unique         2.29, 2.61 A)
 &rst
  ixpk= 24, nxpk= 25, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1009,1010,
 &end
#
#   62 ASN  HD2-         63 GLY  HA+         5.50    (#     25:25  Unique         4.23, 5.22 A)
 &rst
  ixpk= 25, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1002,1003,
 igr2=1009,1010,
 &end
#
#    0 AMB  25-3:28      63 GLY  HA-         4.50    (#     28:25  Single Ambig)
 &rst
  ixpk= 28, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104, 353, 354, 355, 357, 358, 359,
 igr2=1009,1010,
 &end
#
#    0 AMB  25-3:30       0 AMB  25-1:30     2.80    (#     30:25  Double Ambig)
 &rst
  ixpk= 30, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1007, 662,
 igr2=1009,1010, 664, 665,
 &end
#
#   62 ASN  HD2-         63 GLY  HA-         5.50    (#     31:25  Unique         4.23, 5.22 A)
 &rst
  ixpk= 31, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1002,1003,
 igr2=1009,1010,
 &end
#
#    0 AMB  25-3:32       9 ASP  HB3         2.80    (#     32:25  Single Ambig)
 &rst
  ixpk= 32, nxpk= 25, iat=  -1, 161, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 156, 168,
 &end
#
#    9 ASP  HA            9 ASP  HB3         3.50    (#     33:25  Unique         3.02, 3.03 A)
 &rst
  ixpk= 33, nxpk= 25, iat= 158, 161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 ASP  HA            9 ASP  HB2         3.50    (#     35:25  Unique         2.55, 2.59 A)
 &rst
  ixpk= 35, nxpk= 25, iat= 158, 160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 ASP  HN            9 ASP  HB2         5.50    (#     37:25  Unique         4.07, 4.34 A)
 &rst
  ixpk= 37, nxpk= 25, iat=1122, 160, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 THR  HN           10 GLY  HA-         3.50    (#     38:25  Unique         2.42, 2.95 A)
 &rst
  ixpk= 38, nxpk= 25, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 170, 171,
 &end
#
#   11 ARG  HN           10 GLY  HA-         3.50    (#     39:25  Unique         2.21, 2.57 A)
 &rst
  ixpk= 39, nxpk= 25, iat= 175,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 170, 171,
 &end
#
#   10 GLY  HN           10 GLY  HA-         2.80    (#     40:25  Unique         2.46, 2.75 A)
 &rst
  ixpk= 40, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 170, 171,
 &end
#
#   70 THR  QG2          10 GLY  HA-         3.50    (#     42:25  Unique         2.49, 3.56 A)
 &rst
  ixpk= 42, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1114,1115,1116,
 igr2= 170, 171,
 &end
#
#   69 VAL  HA           10 GLY  HA-         4.50    (#     43:25  Unique         2.28, 3.37 A)
 &rst
  ixpk= 43, nxpk= 25, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 170, 171,
 &end
#
#   71 ASP  HN           71 ASP  HB+         3.50    (#     45:25  Unique         2.93, 3.23 A)
 &rst
  ixpk= 45, nxpk= 25, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1126,1127,
 &end
#
#   72 ILE  HN           71 ASP  HB+         5.50    (#     48:25  Unique         3.56, 3.83 A)
 &rst
  ixpk= 48, nxpk= 25, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1126,1127,
 &end
#
#    9 ASP  HN           71 ASP  HB-         5.50    (#     49:25  Unique         3.06, 4.20 A)
 &rst
  ixpk= 49, nxpk= 25, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1126,1127,
 &end
#
#   71 ASP  HN           71 ASP  HB-         3.50    (#     50:25  Unique         2.93, 3.23 A)
 &rst
  ixpk= 50, nxpk= 25, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1126,1127,
 &end
#
#   72 ILE  HN           71 ASP  HB-         5.50    (#     53:25  Unique         3.56, 3.83 A)
 &rst
  ixpk= 53, nxpk= 25, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1126,1127,
 &end
#
#   28 ARG  HB3          28 ARG  HD+         5.50    (#     57:25  Unique         3.68, 3.98 A)
 &rst
  ixpk= 57, nxpk= 25, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 466, 467,
 &end
#
#   52 ALA  QB           28 ARG  HD+         5.50    (#     58:25  Unique         2.91, 4.27 A)
 &rst
  ixpk= 58, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 841, 842, 843,
 igr2= 466, 467,
 &end
#
#   56 PHE  QD           28 ARG  HD-         5.50    (#     60:25  Unique         6.88, 9.06 A)
 &rst
  ixpk= 60, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 902, 910,
 igr2= 466, 467,
 &end
#
#    0 AMB  25-3:61      28 ARG  HD-         5.50    (#     61:25  Single Ambig)
 &rst
  ixpk= 61, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 461, 484, 485,
 igr2= 466, 467,
 &end
#
#   28 ARG  HB2          28 ARG  HD-         5.50    (#     62:25  Unique         2.46, 3.30 A)
 &rst
  ixpk= 62, nxpk= 25, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 466, 467,
 &end
#
#   27 LYS  HA           28 ARG  HD-         5.50    (#     63:25  Unique         6.65, 7.57 A)
 &rst
  ixpk= 63, nxpk= 25, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 466, 467,
 &end
#
#   43 GLU  HB+          37 ARG  HD+         4.50    (#     66:25  Unique         2.04, 3.85 A)
 &rst
  ixpk= 66, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 713, 714,
 igr2= 624, 625,
 &end
#
#    0 AMB  25-3:67       0 AMB  25-1:67     4.50    (#     67:25  Double Ambig)
 &rst
  ixpk= 67, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 125, 697,
 igr2= 624, 625, 624, 625,
 &end
#
#   37 ARG  HG-          37 ARG  HD+         3.50    (#     68:25  Unique         2.27, 2.66 A)
 &rst
  ixpk= 68, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 621, 622,
 igr2= 624, 625,
 &end
#
#   43 GLU  HB-          37 ARG  HD+         3.50    (#     69:25  Unique         2.04, 3.85 A)
 &rst
  ixpk= 69, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 713, 714,
 igr2= 624, 625,
 &end
#
#    0 AMB  25-3:70       0 AMB  25-1:70     4.50    (#     70:25  Double Ambig)
 &rst
  ixpk= 70, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 134, 135, 136, 127, 128, 129,
 igr2= 624, 625, 624, 625,
 &end
#
#   28 ARG  HB2          28 ARG  HD+         5.50    (#     72:25  Unique         2.46, 3.30 A)
 &rst
  ixpk= 72, nxpk= 25, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 466, 467,
 &end
#
#   28 ARG  HA           28 ARG  HD+         5.50    (#     74:25  Unique         2.14, 3.12 A)
 &rst
  ixpk= 74, nxpk= 25, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 466, 467,
 &end
#
#    0 AMB  25-3:76       0 AMB  25-1:76     5.50    (#     76:25  Double Ambig)
 &rst
  ixpk= 76, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 655, 161,
 igr2= 679, 680, 624, 625,
 &end
#
#    0 AMB  25-3:77       0 AMB  25-1:77     2.80    (#     77:25  Double Ambig)
 &rst
  ixpk= 77, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 127, 128, 129, 134, 135, 136,
 igr2= 679, 680, 624, 625,
 &end
#
#   41 ARG  HE           41 ARG  QD          3.50    (#     78:25  Unique         2.21, 2.76 A)
 &rst
  ixpk= 78, nxpk= 25, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 679, 680,
 &end
#
#    9 ASP  HA           41 ARG  QD          3.50    (#     79:25  Unique         2.51, 4.69 A)
 &rst
  ixpk= 79, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 679, 680,
 &end
#
#   41 ARG  QB            0 AMB  25-1:81     2.80    (#     81:25  Single Ambig)
 &rst
  ixpk= 81, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 673, 674,
 igr2= 624, 625, 679, 680,
 &end
#
#    0 AMB  25-3:82       0 AMB  25-1:82     2.80    (#     82:25  Double Ambig)
 &rst
  ixpk= 82, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 676, 677, 621, 622,
 igr2= 679, 680, 624, 625,
 &end
#
#   27 LYS  QD           28 ARG  HD-         4.50    (#     85:25  Unique         6.38, 8.17 A)
 &rst
  ixpk= 85, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 444, 445,
 igr2= 466, 467,
 &end
#
#   11 ARG  HB+          11 ARG  HD+         3.50    (#     86:25  Unique         2.33, 3.33 A)
 &rst
  ixpk= 86, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 179, 180,
 igr2= 185, 186,
 &end
#
#   11 ARG  HG+          11 ARG  HD+         2.80    (#     87:25  Unique         2.32, 2.63 A)
 &rst
  ixpk= 87, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 182, 183,
 igr2= 185, 186,
 &end
#
#   15 VAL  QG+          11 ARG  HD+         4.50    (#     88:25  Unique         2.27, 4.67 A)
 &rst
  ixpk= 88, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 245, 246, 247, 249, 250, 251,
 igr2= 185, 186,
 &end
#
#    9 ASP  HB2          41 ARG  QD          3.50    (#     89:25  Unique         2.33, 4.32 A)
 &rst
  ixpk= 89, nxpk= 25, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 679, 680,
 &end
#
#   41 ARG  HN           41 ARG  QD          4.50    (#     90:25  Unique         2.17, 3.16 A)
 &rst
  ixpk= 90, nxpk= 25, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 679, 680,
 &end
#
#   41 ARG  HG+          41 ARG  QD          2.80    (#     91:25  Unique         2.25, 2.69 A)
 &rst
  ixpk= 91, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 676, 677,
 igr2= 679, 680,
 &end
#
#   37 ARG  HB3          37 ARG  HD-         4.50    (#     92:25  Unique         2.39, 3.30 A)
 &rst
  ixpk= 92, nxpk= 25, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 624, 625,
 &end
#
#   42 VAL  HN            0 AMB  25-1:93     5.50    (#     93:25  Single Ambig)
 &rst
  ixpk= 93, nxpk= 25, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 679, 680, 624, 625,
 &end
#
#   33 TRP  HN           32 GLY  HA-         2.80    (#     95:25  Unique         2.29, 2.62 A)
 &rst
  ixpk= 95, nxpk= 25, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 533, 534,
 &end
#
#   46 ALA  HA           32 GLY  HA-         4.50    (#     96:25  Unique         2.16, 3.00 A)
 &rst
  ixpk= 96, nxpk= 25, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 533, 534,
 &end
#
#   45 LEU  QD+          32 GLY  HA-         4.50    (#     98:25  Unique         2.90, 5.48 A)
 &rst
  ixpk= 98, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2= 533, 534,
 &end
#
#    0 AMB  25-3:99       0 AMB  25-1:99     3.50    (#     99:25  Double Ambig)
 &rst
  ixpk= 99, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 177,1061,
 igr2= 185, 186, 185, 186,
 &end
#
#    0 AMB  25-3:100      0 AMB  25-1:100    2.80    (#    100:25  Double Ambig)
 &rst
  ixpk= 100, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1227,1228,1224,1225, 182, 183, 179, 180,
 igr2=1230,1231, 185, 186, 185, 186,
 &end
#
#   85 ARG  QB           85 ARG  QD          2.80    (#    101:25  Unique         2.22, 3.38 A)
 &rst
  ixpk= 101, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1334,1335,
 igr2=1340,1341,
 &end
#
#   85 ARG  HG-          85 ARG  QD          2.80    (#    102:25  Unique         2.21, 2.70 A)
 &rst
  ixpk= 102, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1337,1338,
 igr2=1340,1341,
 &end
#
#    5 ARG  HB3           5 ARG  HD+         5.50    (#    103:25  Unique         2.45, 3.01 A)
 &rst
  ixpk= 103, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  88,  89,
 &end
#
#    5 ARG  HG-           5 ARG  HD+         3.50    (#    106:25  Unique         2.35, 2.70 A)
 &rst
  ixpk= 106, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  85,  86,
 igr2=  88,  89,
 &end
#
#    5 ARG  HG+           5 ARG  HD+         3.50    (#    107:25  Unique         2.35, 2.70 A)
 &rst
  ixpk= 107, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  85,  86,
 igr2=  88,  89,
 &end
#
#   78 ARG  HA           78 ARG  QD          5.50    (#    108:25  Unique         2.17, 4.36 A)
 &rst
  ixpk= 108, nxpk= 25, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1230,1231,
 &end
#
#   78 ARG  HB+          78 ARG  QD          3.50    (#    109:25  Unique         2.27, 3.05 A)
 &rst
  ixpk= 109, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1224,1225,
 igr2=1230,1231,
 &end
#
#    0 AMB  25-3:110     78 ARG  QD          4.50    (#    110:25  Single Ambig)
 &rst
  ixpk= 110, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 igr2=1230,1231,
 &end
#
#   85 ARG  HG+          85 ARG  QD          2.80    (#    112:25  Unique         2.21, 2.70 A)
 &rst
  ixpk= 112, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1337,1338,
 igr2=1340,1341,
 &end
#
#   45 LEU  QD-           5 ARG  HD-         5.50    (#    113:25  Unique         2.39, 5.60 A)
 &rst
  ixpk= 113, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2=  88,  89,
 &end
#
#    5 ARG  HB3           5 ARG  HD-         4.50    (#    114:25  Unique         2.45, 3.01 A)
 &rst
  ixpk= 114, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  88,  89,
 &end
#
#    5 ARG  HG-           5 ARG  HD-         3.50    (#    115:25  Unique         2.35, 2.70 A)
 &rst
  ixpk= 115, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  85,  86,
 igr2=  88,  89,
 &end
#
#    5 ARG  HG+           5 ARG  HD-         3.50    (#    116:25  Unique         2.35, 2.70 A)
 &rst
  ixpk= 116, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  85,  86,
 igr2=  88,  89,
 &end
#
#    5 ARG  HE            5 ARG  HD-         4.50    (#    117:25  Unique         2.30, 2.80 A)
 &rst
  ixpk= 117, nxpk= 25, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  88,  89,
 &end
#
#   45 LEU  HA            5 ARG  HD-         5.50    (#    118:25  Unique         5.16, 5.92 A)
 &rst
  ixpk= 118, nxpk= 25, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  88,  89,
 &end
#
#   31 ALA  HN           30 LEU  HB2         5.50    (#    120:25  Unique         3.29, 3.42 A)
 &rst
  ixpk= 120, nxpk= 25, iat= 521, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 LEU  HN           30 LEU  HB2         3.50    (#    121:25  Unique         2.40, 2.48 A)
 &rst
  ixpk= 121, nxpk= 25, iat= 502, 506, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  HA           30 LEU  HB2         5.50    (#    122:25  Unique         3.04, 3.04 A)
 &rst
  ixpk= 122, nxpk= 25, iat= 504, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 LEU  HG           30 LEU  HB2         4.50    (#    123:25  Unique         2.23, 2.40 A)
 &rst
  ixpk= 123, nxpk= 25, iat= 509, 506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LEU  QD-          30 LEU  HB2         4.50    (#    127:25  Unique         2.41, 3.56 A)
 &rst
  ixpk= 127, nxpk= 25, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#    0 AMB  25-3:128     30 LEU  HB2         3.50    (#    128:25  Single Ambig)
 &rst
  ixpk= 128, nxpk= 25, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 416, 417, 418, 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  HG           30 LEU  HB3         5.50    (#    129:25  Unique         2.91, 3.02 A)
 &rst
  ixpk= 129, nxpk= 25, iat= 509, 507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 LEU  HA           30 LEU  HB3         4.50    (#    130:25  Unique         2.43, 2.46 A)
 &rst
  ixpk= 130, nxpk= 25, iat= 504, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LEU  QD-          30 LEU  HB3         4.50    (#    131:25  Unique         2.37, 3.14 A)
 &rst
  ixpk= 131, nxpk= 25, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  QD+          30 LEU  HB3         3.50    (#    132:25  Unique         2.37, 3.14 A)
 &rst
  ixpk= 132, nxpk= 25, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   31 ALA  HN           30 LEU  HB3         3.50    (#    133:25  Unique         2.14, 2.27 A)
 &rst
  ixpk= 133, nxpk= 25, iat= 521, 507, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  HN           30 LEU  HB3         4.50    (#    134:25  Unique         3.56, 3.58 A)
 &rst
  ixpk= 134, nxpk= 25, iat= 502, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 LEU  QD-           5 ARG  HD+         5.50    (#    137:25  Unique         2.39, 5.60 A)
 &rst
  ixpk= 137, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2=  88,  89,
 &end
#
#   30 LEU  HG           30 LEU  HB3         5.50    (#    138:25  Unique         2.91, 3.02 A)
 &rst
  ixpk= 138, nxpk= 25, iat= 509, 507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 ARG  QG           18 ARG  HD+         3.50    (#    140:25  Unique         2.28, 2.73 A)
 &rst
  ixpk= 140, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 289, 290,
 igr2= 292, 293,
 &end
#
#   34 VAL  QG+          18 ARG  HD-         5.50    (#    142:25  Unique         2.21, 4.97 A)
 &rst
  ixpk= 142, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 568, 569, 570, 572, 573, 574,
 igr2= 292, 293,
 &end
#
#   45 LEU  HN           45 LEU  HB+         4.50    (#    143:25  Unique         2.91, 3.07 A)
 &rst
  ixpk= 143, nxpk= 25, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 747, 748,
 &end
#
#   45 LEU  HA           45 LEU  HB+         4.50    (#    144:25  Unique         2.56, 2.81 A)
 &rst
  ixpk= 144, nxpk= 25, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 747, 748,
 &end
#
#   45 LEU  HG           45 LEU  HB+         4.50    (#    145:25  Unique         2.45, 2.77 A)
 &rst
  ixpk= 145, nxpk= 25, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 747, 748,
 &end
#
#   45 LEU  QD+          45 LEU  HB+         4.50    (#    146:25  Unique         2.29, 3.32 A)
 &rst
  ixpk= 146, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2= 747, 748,
 &end
#
#   33 TRP  HN           45 LEU  HB+         5.50    (#    149:25  Unique         2.87, 3.76 A)
 &rst
  ixpk= 149, nxpk= 25, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 747, 748,
 &end
#
#   45 LEU  HG           45 LEU  HB-         4.50    (#    150:25  Unique         2.45, 2.77 A)
 &rst
  ixpk= 150, nxpk= 25, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 747, 748,
 &end
#
#   45 LEU  QD-          45 LEU  HB-         4.50    (#    151:25  Unique         2.29, 3.32 A)
 &rst
  ixpk= 151, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2= 747, 748,
 &end
#
#   45 LEU  HN           45 LEU  HB-         4.50    (#    154:25  Unique         2.91, 3.07 A)
 &rst
  ixpk= 154, nxpk= 25, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 747, 748,
 &end
#
#   45 LEU  HA           45 LEU  HB-         5.50    (#    155:25  Unique         2.56, 2.81 A)
 &rst
  ixpk= 155, nxpk= 25, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 747, 748,
 &end
#
#    0 AMB  25-3:157      0 AMB  25-1:157    4.50    (#    157:25  Double Ambig)
 &rst
  ixpk= 157, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 222, 223, 591, 592,
 igr2= 292, 293, 292, 293,
 &end
#
#    0 AMB  25-3:158      0 AMB  25-1:158    5.50    (#    158:25  Double Ambig)
 &rst
  ixpk= 158, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 568, 569, 570, 572, 573, 574, 699, 700, 701, 703,
       704, 705,
 igr2= 292, 293, 292, 293,
 &end
#
#   88 ILE  QG2          18 ARG  HD+         4.50    (#    159:25  Unique         2.19, 3.44 A)
 &rst
  ixpk= 159, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1391,1392,1393,
 igr2= 292, 293,
 &end
#
#    0 AMB  25-3:160     18 ARG  HD-         5.50    (#    160:25  Single Ambig)
 &rst
  ixpk= 160, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 222, 223, 591, 592,
 igr2= 292, 293,
 &end
#
#   18 ARG  QG           18 ARG  HD-         3.50    (#    162:25  Unique         2.28, 2.73 A)
 &rst
  ixpk= 162, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 289, 290,
 igr2= 292, 293,
 &end
#
#   88 ILE  QG2          18 ARG  HD-         3.50    (#    163:25  Unique         2.19, 3.44 A)
 &rst
  ixpk= 163, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1391,1392,1393,
 igr2= 292, 293,
 &end
#
#   80 LEU  QD-          80 LEU  QB          3.50    (#    164:25  Unique         2.42, 3.41 A)
 &rst
  ixpk= 164, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1264,1265,1266,1268,1269,1270,
 igr2=1259,1260,
 &end
#
#   81 GLU  HN           80 LEU  QB          4.50    (#    165:25  Unique         2.02, 3.13 A)
 &rst
  ixpk= 165, nxpk= 25, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1259,1260,
 &end
#
#   82 GLY  HN           80 LEU  QB          4.50    (#    166:25  Unique         3.73, 5.35 A)
 &rst
  ixpk= 166, nxpk= 25, iat=1289,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1259,1260,
 &end
#
#   80 LEU  HN           80 LEU  QB          3.50    (#    167:25  Unique         2.66, 3.34 A)
 &rst
  ixpk= 167, nxpk= 25, iat=1255,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1259,1260,
 &end
#
#   80 LEU  HA           80 LEU  QB          3.50    (#    168:25  Unique         2.49, 2.86 A)
 &rst
  ixpk= 168, nxpk= 25, iat=1257,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1259,1260,
 &end
#
#   80 LEU  QD+          80 LEU  QB          2.80    (#    169:25  Unique         2.42, 3.41 A)
 &rst
  ixpk= 169, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1264,1265,1266,1268,1269,1270,
 igr2=1259,1260,
 &end
#
#   45 LEU  QD-          45 LEU  HB+         3.50    (#    170:25  Unique         2.29, 3.32 A)
 &rst
  ixpk= 170, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2= 747, 748,
 &end
#
#   33 TRP  HN           45 LEU  HB-         5.50    (#    171:25  Unique         2.87, 3.76 A)
 &rst
  ixpk= 171, nxpk= 25, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 747, 748,
 &end
#
#   45 LEU  QD+          45 LEU  HB-         4.50    (#    172:25  Unique         2.29, 3.32 A)
 &rst
  ixpk= 172, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2= 747, 748,
 &end
#
#   44 ILE  HN           44 ILE  HB          3.50    (#    173:25  Unique         2.72, 2.78 A)
 &rst
  ixpk= 173, nxpk= 25, iat= 724, 728, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:174     44 ILE  HB          2.80    (#    174:25  Single Ambig)
 &rst
  ixpk= 174, nxpk= 25, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 730, 731, 732, 734, 735,
 &end
#
#   29 LYS  QB           29 LYS  QE          5.50    (#    177:25  Unique         2.15, 4.22 A)
 &rst
  ixpk= 177, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 484, 485,
 igr2= 493, 494,
 &end
#
#   29 LYS  HD-          29 LYS  QE          3.50    (#    178:25  Unique         2.34, 2.69 A)
 &rst
  ixpk= 178, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 490, 491,
 igr2= 493, 494,
 &end
#
#    0 AMB  25-3:179      0 AMB  25-1:179    3.50    (#    179:25  Double Ambig)
 &rst
  ixpk= 179, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 487, 488, 978, 979,
 igr2= 493, 494, 984, 985,
 &end
#
#   68 LYS  QD           68 LYS  QE          2.80    (#    180:25  Unique         2.38, 2.71 A)
 &rst
  ixpk= 180, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1080,1081,
 igr2=1083,1084,
 &end
#
#   70 THR  QG2          68 LYS  QE          4.50    (#    181:25  Unique         2.88, 5.22 A)
 &rst
  ixpk= 181, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1114,1115,1116,
 igr2=1083,1084,
 &end
#
#   68 LYS  HG+          68 LYS  QE          4.50    (#    182:25  Unique         2.47, 3.08 A)
 &rst
  ixpk= 182, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1077,1078,
 igr2=1083,1084,
 &end
#
#    6 ILE  HN            6 ILE  HB          3.50    (#    184:25  Unique         2.62, 2.65 A)
 &rst
  ixpk= 184, nxpk= 25, iat= 102, 106, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 ILE  QD1           6 ILE  HB          2.80    (#    185:25  Unique         2.61, 3.34 A)
 &rst
  ixpk= 185, nxpk= 25, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 115, 116, 117,
 &end
#
#    0 AMB  25-3:186      6 ILE  HB          2.80    (#    186:25  Single Ambig)
 &rst
  ixpk= 186, nxpk= 25, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 108, 109, 110, 737, 738, 739,
 &end
#
#   68 LYS  HG-          68 LYS  QE          5.50    (#    187:25  Unique         2.47, 3.08 A)
 &rst
  ixpk= 187, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1077,1078,
 igr2=1083,1084,
 &end
#
#   27 LYS  QD           27 LYS  HE-         2.80    (#    193:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 193, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 444, 445,
 igr2= 447, 448,
 &end
#
#   27 LYS  QB           27 LYS  HE-         4.50    (#    196:25  Unique         4.21, 4.53 A)
 &rst
  ixpk= 196, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 438, 439,
 igr2= 447, 448,
 &end
#
#   35 LYS  HG+          35 LYS  HE-         4.50    (#    198:25  Unique         2.24, 3.23 A)
 &rst
  ixpk= 198, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 585, 586,
 igr2= 591, 592,
 &end
#
#   33 TRP  HD1          35 LYS  HE-         4.50    (#    199:25  Unique         2.48, 3.30 A)
 &rst
  ixpk= 199, nxpk= 25, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 591, 592,
 &end
#
#   35 LYS  HD-          35 LYS  HE-         3.50    (#    201:25  Unique         2.35, 2.77 A)
 &rst
  ixpk= 201, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 588, 589,
 igr2= 591, 592,
 &end
#
#    0 AMB  25-3:203      0 AMB  25-1:203    5.50    (#    203:25  Double Ambig)
 &rst
  ixpk= 203, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 582, 621, 622,
 igr2= 591, 592, 591, 592,
 &end
#
#   35 LYS  HG+          35 LYS  HE+         5.50    (#    205:25  Unique         2.24, 3.23 A)
 &rst
  ixpk= 205, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 585, 586,
 igr2= 591, 592,
 &end
#
#   35 LYS  HD+          35 LYS  HE+         3.50    (#    206:25  Unique         2.35, 2.77 A)
 &rst
  ixpk= 206, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 588, 589,
 igr2= 591, 592,
 &end
#
#   35 LYS  HG-          35 LYS  HE+         3.50    (#    207:25  Unique         2.24, 3.23 A)
 &rst
  ixpk= 207, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 585, 586,
 igr2= 591, 592,
 &end
#
#   27 LYS  QB           27 LYS  HE+         5.50    (#    210:25  Unique         4.21, 4.53 A)
 &rst
  ixpk= 210, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 438, 439,
 igr2= 447, 448,
 &end
#
#   27 LYS  QD           27 LYS  HE+         3.50    (#    211:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 211, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 444, 445,
 igr2= 447, 448,
 &end
#
#   27 LYS  QG           27 LYS  HE+         3.50    (#    212:25  Unique         2.29, 2.81 A)
 &rst
  ixpk= 212, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 441, 442,
 igr2= 447, 448,
 &end
#
#   72 ILE  HA           72 ILE  HB          3.50    (#    213:25  Unique         2.37, 2.41 A)
 &rst
  ixpk= 213, nxpk= 25, iat=1136,1138, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:215     72 ILE  HB          2.80    (#    215:25  Single Ambig)
 &rst
  ixpk= 215, nxpk= 25, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 146, 147, 148, 150, 151, 152,1144,1145,1098,1099,
      1100,1102,1103,1104,1098,1099,1100,1102,1103,1104,
      
 &end
#
#   72 ILE  QG2          72 ILE  HB          2.80    (#    216:25  Unique         2.40, 2.65 A)
 &rst
  ixpk= 216, nxpk= 25, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1140,1141,1142,
 &end
#
#   72 ILE  HN           72 ILE  HB          5.50    (#    217:25  Unique         3.28, 3.50 A)
 &rst
  ixpk= 217, nxpk= 25, iat=1134,1138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 ILE  HG1+         72 ILE  HB          3.50    (#    219:25  Unique         2.41, 2.76 A)
 &rst
  ixpk= 219, nxpk= 25, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1144,1145,
 &end
#
#   73 SER  HN           72 ILE  HB          4.50    (#    220:25  Unique         3.47, 4.01 A)
 &rst
  ixpk= 220, nxpk= 25, iat=1153,1138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  HA           53 LEU  HB2         4.50    (#    222:25  Unique         2.23, 2.99 A)
 &rst
  ixpk= 222, nxpk= 25, iat= 849, 851, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  QD+          53 LEU  HB2         4.50    (#    223:25  Unique         2.38, 3.53 A)
 &rst
  ixpk= 223, nxpk= 25, iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   50 GLU  HA           53 LEU  HB2         5.50    (#    224:25  Unique         2.27, 2.53 A)
 &rst
  ixpk= 224, nxpk= 25, iat= 810, 851, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LEU  HG           53 LEU  HB2         4.50    (#    225:25  Unique         2.37, 2.44 A)
 &rst
  ixpk= 225, nxpk= 25, iat= 854, 851, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 PHE  QD           53 LEU  HB3         5.50    (#    226:25  Unique         4.52, 6.38 A)
 &rst
  ixpk= 226, nxpk= 25, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 902, 910,
 &end
#
#   53 LEU  QD-          53 LEU  HB3         3.50    (#    227:25  Unique         2.35, 3.17 A)
 &rst
  ixpk= 227, nxpk= 25, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   17 PHE  QD           17 PHE  HB+         4.50    (#    228:25  Unique         2.35, 3.07 A)
 &rst
  ixpk= 228, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 270, 278,
 igr2= 266, 267,
 &end
#
#   17 PHE  QD           17 PHE  HB-         3.50    (#    230:25  Unique         2.35, 3.07 A)
 &rst
  ixpk= 230, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 270, 278,
 igr2= 266, 267,
 &end
#
#   17 PHE  HA           17 PHE  HB-         4.50    (#    231:25  Unique         2.47, 2.77 A)
 &rst
  ixpk= 231, nxpk= 25, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 266, 267,
 &end
#
#   53 LEU  QD-          53 LEU  HB2         3.50    (#    235:25  Unique         2.38, 3.53 A)
 &rst
  ixpk= 235, nxpk= 25, iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   54 GLN  HN           53 LEU  HB2         4.50    (#    236:25  Unique         2.63, 2.84 A)
 &rst
  ixpk= 236, nxpk= 25, iat= 866, 851, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  HN           53 LEU  HB2         3.50    (#    237:25  Unique         2.38, 2.56 A)
 &rst
  ixpk= 237, nxpk= 25, iat= 847, 851, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LEU  HG           53 LEU  HB3         4.50    (#    238:25  Unique         2.25, 2.95 A)
 &rst
  ixpk= 238, nxpk= 25, iat= 854, 852, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  QD+          53 LEU  HB3         4.50    (#    241:25  Unique         2.35, 3.17 A)
 &rst
  ixpk= 241, nxpk= 25, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#    0 AMB  25-3:243     53 LEU  HB3         4.50    (#    243:25  Single Ambig)
 &rst
  ixpk= 243, nxpk= 25, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 849, 795, 796,
 &end
#
#   53 LEU  HN           53 LEU  HB3         4.50    (#    244:25  Unique         1.98, 3.45 A)
 &rst
  ixpk= 244, nxpk= 25, iat= 847, 852, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 VAL  QG-          17 PHE  HB-         4.50    (#    245:25  Unique         2.18, 5.33 A)
 &rst
  ixpk= 245, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 245, 246, 247, 249, 250, 251,
 igr2= 266, 267,
 &end
#
#    4 TYR  HA            4 TYR  HB2         4.50    (#    246:25  Unique         2.38, 2.41 A)
 &rst
  ixpk= 246, nxpk= 25, iat=  59,  61, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 TYR  HN            4 TYR  HB2         5.50    (#    247:25  Unique         3.88, 3.91 A)
 &rst
  ixpk= 247, nxpk= 25, iat=  57,  61, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 VAL  QG+           4 TYR  HB2         5.50    (#    248:25  Unique         3.04, 5.17 A)
 &rst
  ixpk= 248, nxpk= 25, iat=  -1,  61, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#    4 TYR  QD            4 TYR  HB2         4.50    (#    249:25  Unique         2.55, 3.09 A)
 &rst
  ixpk= 249, nxpk= 25, iat=  -1,  61, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  65,  74,
 &end
#
#    6 ILE  QD1           4 TYR  HB2         4.50    (#    250:25  Unique         2.23, 3.28 A)
 &rst
  ixpk= 250, nxpk= 25, iat=  -1,  61, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 115, 116, 117,
 &end
#
#   53 LEU  QD+           4 TYR  HB2         5.50    (#    251:25  Unique         4.89, 6.58 A)
 &rst
  ixpk= 251, nxpk= 25, iat=  -1,  61, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#    4 TYR  HN            4 TYR  HB3         4.50    (#    252:25  Unique         3.50, 3.58 A)
 &rst
  ixpk= 252, nxpk= 25, iat=  57,  62, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 TYR  QD            4 TYR  HB3         3.50    (#    253:25  Unique         2.30, 3.07 A)
 &rst
  ixpk= 253, nxpk= 25, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  65,  74,
 &end
#
#    0 AMB  25-3:254      4 TYR  HB3         5.50    (#    254:25  Single Ambig)
 &rst
  ixpk= 254, nxpk= 25, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  78,1180,
 &end
#
#    0 AMB  25-3:255      4 TYR  HB3         4.50    (#    255:25  Single Ambig)
 &rst
  ixpk= 255, nxpk= 25, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 115, 116, 117,  30,  31,  32,  34,  35,  36,
 &end
#
#   74 VAL  QG+           4 TYR  HB3         5.50    (#    256:25  Unique         3.80, 5.69 A)
 &rst
  ixpk= 256, nxpk= 25, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   57 VAL  HN           56 PHE  HB3         3.50    (#    257:25  Unique         2.81, 3.22 A)
 &rst
  ixpk= 257, nxpk= 25, iat= 914, 899, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 PHE  HA           86 PHE  HB3         4.50    (#    258:25  Unique         3.01, 3.02 A)
 &rst
  ixpk= 258, nxpk= 25, iat=1356,1359, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLN  QG           86 PHE  HB3         5.50    (#    259:25  Unique         3.25, 4.24 A)
 &rst
  ixpk= 259, nxpk= 25, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 370, 371,
 &end
#
#   86 PHE  QD           86 PHE  HB2         4.50    (#    262:25  Unique         2.35, 3.08 A)
 &rst
  ixpk= 262, nxpk= 25, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1362,1370,
 &end
#
#   86 PHE  HA           86 PHE  HB2         3.50    (#    263:25  Unique         2.50, 2.54 A)
 &rst
  ixpk= 263, nxpk= 25, iat=1356,1358, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLN  QG           86 PHE  HB2         5.50    (#    265:25  Unique         4.87, 5.92 A)
 &rst
  ixpk= 265, nxpk= 25, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 370, 371,
 &end
#
#   86 PHE  HN           86 PHE  HB2         4.50    (#    266:25  Unique         2.55, 2.81 A)
 &rst
  ixpk= 266, nxpk= 25, iat=1354,1358, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 TYR  HA            4 TYR  HB3         4.50    (#    267:25  Unique         2.38, 2.41 A)
 &rst
  ixpk= 267, nxpk= 25, iat=  59,  62, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 ILE  HG1+          4 TYR  HB3         4.50    (#    269:25  Unique         3.64, 4.11 A)
 &rst
  ixpk= 269, nxpk= 25, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 112, 113,
 &end
#
#   30 LEU  QD+          56 PHE  HB3         4.50    (#    271:25  Unique         3.55, 5.57 A)
 &rst
  ixpk= 271, nxpk= 25, iat=  -1, 899, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   56 PHE  HN           56 PHE  HB3         3.50    (#    272:25  Unique         2.46, 2.96 A)
 &rst
  ixpk= 272, nxpk= 25, iat= 894, 899, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 PHE  HA           56 PHE  HB3         5.50    (#    273:25  Unique         2.50, 2.83 A)
 &rst
  ixpk= 273, nxpk= 25, iat= 896, 899, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 PHE  QD           56 PHE  HB3         3.50    (#    275:25  Unique         2.27, 3.07 A)
 &rst
  ixpk= 275, nxpk= 25, iat=  -1, 899, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 902, 910,
 &end
#
#   86 PHE  QD           86 PHE  HB3         4.50    (#    276:25  Unique         2.51, 3.11 A)
 &rst
  ixpk= 276, nxpk= 25, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1362,1370,
 &end
#
#   86 PHE  HN           86 PHE  HB3         3.50    (#    277:25  Unique         2.53, 2.71 A)
 &rst
  ixpk= 277, nxpk= 25, iat=1354,1359, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 ALA  QB           86 PHE  HB3         5.50    (#    278:25  Unique         2.99, 3.69 A)
 &rst
  ixpk= 278, nxpk= 25, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 416, 417, 418,
 &end
#
#   30 LEU  QD+          56 PHE  HB2         4.50    (#    279:25  Unique         3.16, 5.28 A)
 &rst
  ixpk= 279, nxpk= 25, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   53 LEU  HA           56 PHE  HB2         5.50    (#    280:25  Unique         2.06, 2.67 A)
 &rst
  ixpk= 280, nxpk= 25, iat= 849, 898, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 VAL  HN           56 PHE  HB2         5.50    (#    281:25  Unique         2.73, 3.57 A)
 &rst
  ixpk= 281, nxpk= 25, iat= 914, 898, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 PHE  HN           56 PHE  HB2         3.50    (#    282:25  Unique         2.22, 2.37 A)
 &rst
  ixpk= 282, nxpk= 25, iat= 894, 898, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 PHE  HA           56 PHE  HB2         3.50    (#    283:25  Unique         2.46, 2.72 A)
 &rst
  ixpk= 283, nxpk= 25, iat= 896, 898, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 ALA  QB           86 PHE  HB2         4.50    (#    285:25  Unique         2.52, 3.47 A)
 &rst
  ixpk= 285, nxpk= 25, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 416, 417, 418,
 &end
#
#   53 LEU  HA           56 PHE  HB3         4.50    (#    286:25  Unique         2.28, 2.90 A)
 &rst
  ixpk= 286, nxpk= 25, iat= 849, 899, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 PHE  QD           56 PHE  HB2         3.50    (#    287:25  Unique         2.75, 3.14 A)
 &rst
  ixpk= 287, nxpk= 25, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 902, 910,
 &end
#
#   38 ASP  HA           38 ASP  QB          2.80    (#    288:25  Unique         2.44, 2.74 A)
 &rst
  ixpk= 288, nxpk= 25, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 642, 643,
 &end
#
#   39 ASP  HA           39 ASP  HB2         3.50    (#    289:25  Unique         2.25, 2.41 A)
 &rst
  ixpk= 289, nxpk= 25, iat= 652, 654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 ASP  HN           26 ASP  HB2         2.80    (#    293:25  Unique         2.28, 2.40 A)
 &rst
  ixpk= 293, nxpk= 25, iat= 422, 426, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 ASP  HA           26 ASP  HB2         2.80    (#    294:25  Unique         2.50, 2.53 A)
 &rst
  ixpk= 294, nxpk= 25, iat= 424, 426, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   23 MET  HA           26 ASP  HB2         3.50    (#    295:25  Unique         2.80, 2.82 A)
 &rst
  ixpk= 295, nxpk= 25, iat= 382, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 LYS  HN           26 ASP  HB2         5.50    (#    296:25  Unique         3.69, 3.78 A)
 &rst
  ixpk= 296, nxpk= 25, iat= 434, 426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:297     39 ASP  HB3         5.50    (#    297:25  Single Ambig)
 &rst
  ixpk= 297, nxpk= 25, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 679, 680, 624, 625,
 &end
#
#   39 ASP  HA           39 ASP  HB3         3.50    (#    298:25  Unique         2.47, 2.89 A)
 &rst
  ixpk= 298, nxpk= 25, iat= 652, 655, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 ASP  HN           26 ASP  HB3         3.50    (#    300:25  Unique         2.59, 2.67 A)
 &rst
  ixpk= 300, nxpk= 25, iat= 422, 427, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 LYS  HN           26 ASP  HB3         4.50    (#    301:25  Unique         2.45, 2.55 A)
 &rst
  ixpk= 301, nxpk= 25, iat= 434, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ASP  HA           26 ASP  HB3         3.50    (#    302:25  Unique         3.03, 3.04 A)
 &rst
  ixpk= 302, nxpk= 25, iat= 424, 427, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 MET  HA           26 ASP  HB3         3.50    (#    303:25  Unique         2.38, 2.52 A)
 &rst
  ixpk= 303, nxpk= 25, iat= 382, 427, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   90 TYR  QD           90 TYR  HB2         3.50    (#    304:25  Unique         2.55, 3.10 A)
 &rst
  ixpk= 304, nxpk= 25, iat=  -1,1424, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1428,1437,
 &end
#
#   90 TYR  HA           90 TYR  HB2         3.50    (#    305:25  Unique         2.47, 2.49 A)
 &rst
  ixpk= 305, nxpk= 25, iat=1422,1424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   90 TYR  HN           90 TYR  HB3         4.50    (#    308:25  Unique         2.43, 2.48 A)
 &rst
  ixpk= 308, nxpk= 25, iat=1420,1425, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 TYR  HN           90 TYR  HB2         4.50    (#    309:25  Unique         2.40, 2.52 A)
 &rst
  ixpk= 309, nxpk= 25, iat=1420,1424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 GLY  HN           62 ASN  QB          3.50    (#    310:25  Unique         2.56, 3.24 A)
 &rst
  ixpk= 310, nxpk= 25, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 997, 998,
 &end
#
#   62 ASN  HD2+         62 ASN  QB          2.80    (#    311:25  Unique         2.38, 3.43 A)
 &rst
  ixpk= 311, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1002,1003,
 igr2= 997, 998,
 &end
#
#   62 ASN  HN           62 ASN  QB          2.80    (#    312:25  Unique         2.58, 2.73 A)
 &rst
  ixpk= 312, nxpk= 25, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 997, 998,
 &end
#
#   62 ASN  HD2-         62 ASN  QB          3.50    (#    313:25  Unique         2.38, 3.43 A)
 &rst
  ixpk= 313, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1002,1003,
 igr2= 997, 998,
 &end
#
#   62 ASN  HA           62 ASN  QB          2.80    (#    314:25  Unique         2.49, 2.79 A)
 &rst
  ixpk= 314, nxpk= 25, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 997, 998,
 &end
#
#   59 ALA  HA           62 ASN  QB          3.50    (#    315:25  Unique         2.91, 3.22 A)
 &rst
  ixpk= 315, nxpk= 25, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 997, 998,
 &end
#
#    0 AMB  25-3:316     62 ASN  QB          5.50    (#    316:25  Single Ambig)
 &rst
  ixpk= 316, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 978, 979, 949, 950, 951,
 igr2= 997, 998,
 &end
#
#   90 TYR  QD           90 TYR  HB3         3.50    (#    317:25  Unique         2.38, 3.07 A)
 &rst
  ixpk= 317, nxpk= 25, iat=  -1,1425, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1428,1437,
 &end
#
#   73 SER  HN            7 ILE  HB          5.50    (#    318:25  Unique         3.36, 3.49 A)
 &rst
  ixpk= 318, nxpk= 25, iat=1153, 125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:319      7 ILE  HB          5.50    (#    319:25  Single Ambig)
 &rst
  ixpk= 319, nxpk= 25, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1144,1145, 146, 147, 148, 150, 151, 152,
 &end
#
#    7 ILE  HN            7 ILE  HB          3.50    (#    320:25  Unique         2.63, 2.72 A)
 &rst
  ixpk= 320, nxpk= 25, iat= 121, 125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:321      7 ILE  HB          4.50    (#    321:25  Single Ambig)
 &rst
  ixpk= 321, nxpk= 25, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 676, 677,  85,  86,
 &end
#
#    0 AMB  25-3:322      7 ILE  HB          2.80    (#    322:25  Single Ambig)
 &rst
  ixpk= 322, nxpk= 25, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 127, 128, 129, 134, 135, 136,
 &end
#
#    7 ILE  HA            7 ILE  HB          3.50    (#    323:25  Unique         3.01, 3.03 A)
 &rst
  ixpk= 323, nxpk= 25, iat= 123, 125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 SER  QB            7 ILE  HB          3.50    (#    324:25  Unique         2.22, 3.16 A)
 &rst
  ixpk= 324, nxpk= 25, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1157,1158,
 &end
#
#   88 ILE  HG1-         88 ILE  HB          2.80    (#    326:25  Unique         2.33, 2.80 A)
 &rst
  ixpk= 326, nxpk= 25, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1395,1396,
 &end
#
#   88 ILE  HG1+         88 ILE  HB          4.50    (#    327:25  Unique         2.33, 2.80 A)
 &rst
  ixpk= 327, nxpk= 25, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1395,1396,
 &end
#
#   66 PHE  HA           66 PHE  HB+         4.50    (#    328:25  Unique         2.41, 2.73 A)
 &rst
  ixpk= 328, nxpk= 25, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1043,1044,
 &end
#
#   66 PHE  QD           66 PHE  HB+         4.50    (#    330:25  Unique         2.33, 3.09 A)
 &rst
  ixpk= 330, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1047,1055,
 igr2=1043,1044,
 &end
#
#   15 VAL  HB           66 PHE  HB+         4.50    (#    331:25  Unique         2.24, 2.76 A)
 &rst
  ixpk= 331, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1043,1044,
 &end
#
#   15 VAL  QG+          66 PHE  HB+         5.50    (#    332:25  Unique         2.55, 4.45 A)
 &rst
  ixpk= 332, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 245, 246, 247, 249, 250, 251,
 igr2=1043,1044,
 &end
#
#   21 VAL  HN           20 PHE  HB+         5.50    (#    333:25  Unique         2.53, 3.24 A)
 &rst
  ixpk= 333, nxpk= 25, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 331, 332,
 &end
#
#   20 PHE  HN           20 PHE  HB+         3.50    (#    334:25  Unique         2.36, 2.51 A)
 &rst
  ixpk= 334, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 331, 332,
 &end
#
#   20 PHE  HA           20 PHE  HB+         3.50    (#    335:25  Unique         2.36, 2.74 A)
 &rst
  ixpk= 335, nxpk= 25, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 331, 332,
 &end
#
#   20 PHE  HN           20 PHE  HB-         3.50    (#    338:25  Unique         2.36, 2.51 A)
 &rst
  ixpk= 338, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 331, 332,
 &end
#
#   17 PHE  QE           20 PHE  HB-         3.50    (#    339:25  Unique         5.66, 6.98 A)
 &rst
  ixpk= 339, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 272, 276,
 igr2= 331, 332,
 &end
#
#   20 PHE  HA           20 PHE  HB-         3.50    (#    340:25  Unique         2.36, 2.74 A)
 &rst
  ixpk= 340, nxpk= 25, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 331, 332,
 &end
#
#   15 VAL  HB           66 PHE  HB-         4.50    (#    341:25  Unique         2.24, 2.76 A)
 &rst
  ixpk= 341, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1043,1044,
 &end
#
#   66 PHE  HA           66 PHE  HB-         4.50    (#    343:25  Unique         2.41, 2.73 A)
 &rst
  ixpk= 343, nxpk= 25, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1043,1044,
 &end
#
#   66 PHE  QD           66 PHE  HB-         4.50    (#    344:25  Unique         2.33, 3.09 A)
 &rst
  ixpk= 344, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1047,1055,
 igr2=1043,1044,
 &end
#
#   88 ILE  QD1          88 ILE  HB          3.50    (#    345:25  Unique         2.40, 3.07 A)
 &rst
  ixpk= 345, nxpk= 25, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1398,1399,1400,
 &end
#
#   88 ILE  HN           88 ILE  HB          2.80    (#    346:25  Unique         2.42, 2.46 A)
 &rst
  ixpk= 346, nxpk= 25, iat=1385,1389, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   88 ILE  HA           88 ILE  HB          5.50    (#    347:25  Unique         3.04, 3.05 A)
 &rst
  ixpk= 347, nxpk= 25, iat=1387,1389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 ILE  QG2          88 ILE  HB          3.50    (#    349:25  Unique         2.38, 2.68 A)
 &rst
  ixpk= 349, nxpk= 25, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1391,1392,1393,
 &end
#
#   36 ASN  HN           36 ASN  HB+         3.50    (#    352:25  Unique         2.22, 2.89 A)
 &rst
  ixpk= 352, nxpk= 25, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 604, 605,
 &end
#
#   36 ASN  HA           36 ASN  HB+         4.50    (#    353:25  Unique         2.25, 2.62 A)
 &rst
  ixpk= 353, nxpk= 25, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 604, 605,
 &end
#
#   36 ASN  HD2+         36 ASN  HB-         3.50    (#    354:25  Unique         2.16, 3.43 A)
 &rst
  ixpk= 354, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 609, 610,
 igr2= 604, 605,
 &end
#
#   36 ASN  HN           36 ASN  HB-         3.50    (#    355:25  Unique         2.22, 2.89 A)
 &rst
  ixpk= 355, nxpk= 25, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 604, 605,
 &end
#
#   36 ASN  HA           36 ASN  HB-         3.50    (#    356:25  Unique         2.25, 2.62 A)
 &rst
  ixpk= 356, nxpk= 25, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 604, 605,
 &end
#
#   35 LYS  HN           35 LYS  HB2         4.50    (#    358:25  Unique         3.90, 3.94 A)
 &rst
  ixpk= 358, nxpk= 25, iat= 578, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 LYS  HG+          35 LYS  HB2         2.80    (#    359:25  Unique         2.42, 2.75 A)
 &rst
  ixpk= 359, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 585, 586,
 &end
#
#   35 LYS  HD+          35 LYS  HB2         4.50    (#    360:25  Unique         2.59, 3.21 A)
 &rst
  ixpk= 360, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 588, 589,
 &end
#
#   89 VAL  QG-          35 LYS  HB2         5.50    (#    362:25  Unique         3.13, 4.16 A)
 &rst
  ixpk= 362, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   36 ASN  HN           35 LYS  HB2         4.50    (#    363:25  Unique         2.45, 2.68 A)
 &rst
  ixpk= 363, nxpk= 25, iat= 600, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 LYS  HA           35 LYS  HB2         3.50    (#    364:25  Unique         2.38, 2.42 A)
 &rst
  ixpk= 364, nxpk= 25, iat= 580, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:365     35 LYS  HB3         4.50    (#    365:25  Single Ambig)
 &rst
  ixpk= 365, nxpk= 25, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 600, 709,
 &end
#
#   89 VAL  QG-          35 LYS  HB3         4.50    (#    367:25  Unique         2.43, 3.62 A)
 &rst
  ixpk= 367, nxpk= 25, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   35 LYS  HD-          35 LYS  HB3         3.50    (#    368:25  Unique         2.52, 3.37 A)
 &rst
  ixpk= 368, nxpk= 25, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 588, 589,
 &end
#
#   35 LYS  HA           35 LYS  HB3         4.50    (#    369:25  Unique         2.51, 2.53 A)
 &rst
  ixpk= 369, nxpk= 25, iat= 580, 583, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 PHE  HN           19 TYR  HB+         3.50    (#    370:25  Unique         2.58, 3.28 A)
 &rst
  ixpk= 370, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 310, 311,
 &end
#
#   19 TYR  QD           19 TYR  HB+         2.80    (#    371:25  Unique         2.41, 3.09 A)
 &rst
  ixpk= 371, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 314, 323,
 igr2= 310, 311,
 &end
#
#   19 TYR  HA           19 TYR  HB+         2.80    (#    372:25  Unique         2.46, 2.76 A)
 &rst
  ixpk= 372, nxpk= 25, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 310, 311,
 &end
#
#   36 ASN  HD2+         36 ASN  HB+         3.50    (#    374:25  Unique         2.16, 3.43 A)
 &rst
  ixpk= 374, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 609, 610,
 igr2= 604, 605,
 &end
#
#   35 LYS  HN           35 LYS  HB3         5.50    (#    375:25  Unique         3.14, 3.23 A)
 &rst
  ixpk= 375, nxpk= 25, iat= 578, 583, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89 VAL  QG+          35 LYS  HB3         5.50    (#    376:25  Unique         2.43, 3.62 A)
 &rst
  ixpk= 376, nxpk= 25, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#    3 GLN  HE2-         81 GLU  HG-         4.50    (#    382:25  Unique         3.19, 5.02 A)
 &rst
  ixpk= 382, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  52,  53,
 igr2=1281,1282,
 &end
#
#   81 GLU  QB           81 GLU  HG+         2.80    (#    384:25  Unique         2.17, 2.63 A)
 &rst
  ixpk= 384, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1278,1279,
 igr2=1281,1282,
 &end
#
#    3 GLN  HE2+         81 GLU  HG+         4.50    (#    386:25  Unique         3.19, 5.02 A)
 &rst
  ixpk= 386, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  52,  53,
 igr2=1281,1282,
 &end
#
#   81 GLU  QB           81 GLU  HG-         2.80    (#    387:25  Unique         2.17, 2.63 A)
 &rst
  ixpk= 387, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1278,1279,
 igr2=1281,1282,
 &end
#
#    0 AMB  25-3:388     81 GLU  HG-         3.50    (#    388:25  Single Ambig)
 &rst
  ixpk= 388, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1276, 789, 790,
 igr2=1281,1282,
 &end
#
#   81 GLU  HN           81 GLU  HG+         4.50    (#    389:25  Unique         2.50, 4.24 A)
 &rst
  ixpk= 389, nxpk= 25, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1281,1282,
 &end
#
#    3 GLN  HE2-         81 GLU  HG+         3.50    (#    390:25  Unique         3.19, 5.02 A)
 &rst
  ixpk= 390, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  52,  53,
 igr2=1281,1282,
 &end
#
#    0 AMB  25-3:391      0 AMB  25-1:391    3.50    (#    391:25  Double Ambig)
 &rst
  ixpk= 391, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1276, 789, 790,
 igr2=1281,1282,1281,1282,
 &end
#
#   51 ASN  HN           51 ASN  QB          4.50    (#    392:25  Unique         2.44, 2.54 A)
 &rst
  ixpk= 392, nxpk= 25, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 827, 828,
 &end
#
#   52 ALA  HN           51 ASN  QB          4.50    (#    393:25  Unique         2.43, 3.37 A)
 &rst
  ixpk= 393, nxpk= 25, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 827, 828,
 &end
#
#   51 ASN  HA           51 ASN  QB          2.80    (#    395:25  Unique         2.44, 2.76 A)
 &rst
  ixpk= 395, nxpk= 25, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 827, 828,
 &end
#
#    3 GLN  HA            3 GLN  HG-         4.50    (#    398:25  Unique         2.28, 2.86 A)
 &rst
  ixpk= 398, nxpk= 25, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  47,  48,
 &end
#
#    3 GLN  HB2           3 GLN  HG-         4.50    (#    399:25  Unique         2.51, 2.82 A)
 &rst
  ixpk= 399, nxpk= 25, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  47,  48,
 &end
#
#    4 TYR  HN            3 GLN  HG-         5.50    (#    400:25  Unique         2.37, 2.97 A)
 &rst
  ixpk= 400, nxpk= 25, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  47,  48,
 &end
#
#    3 GLN  HE2-          3 GLN  HG-         4.50    (#    401:25  Unique         2.46, 3.54 A)
 &rst
  ixpk= 401, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  52,  53,
 igr2=  47,  48,
 &end
#
#    3 GLN  HB3           3 GLN  HG-         3.50    (#    402:25  Unique         2.20, 2.65 A)
 &rst
  ixpk= 402, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  47,  48,
 &end
#
#    4 TYR  HN            3 GLN  HG+         4.50    (#    404:25  Unique         2.37, 2.97 A)
 &rst
  ixpk= 404, nxpk= 25, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  47,  48,
 &end
#
#    3 GLN  HA            3 GLN  HG+         3.50    (#    405:25  Unique         2.28, 2.86 A)
 &rst
  ixpk= 405, nxpk= 25, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  47,  48,
 &end
#
#    3 GLN  HE2+          3 GLN  HG+         3.50    (#    406:25  Unique         2.46, 3.54 A)
 &rst
  ixpk= 406, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  52,  53,
 igr2=  47,  48,
 &end
#
#    3 GLN  HE2+          3 GLN  HG-         5.50    (#    407:25  Unique         2.46, 3.54 A)
 &rst
  ixpk= 407, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  52,  53,
 igr2=  47,  48,
 &end
#
#   45 LEU  QD+           3 GLN  HG-         4.50    (#    409:25  Unique         2.34, 4.20 A)
 &rst
  ixpk= 409, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2=  47,  48,
 &end
#
#   77 SER  HN           76 GLU  QG          5.50    (#    411:25  Unique         3.51, 4.14 A)
 &rst
  ixpk= 411, nxpk= 25, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1201,1202,
 &end
#
#    0 AMB  25-3:412      0 AMB  25-1:412    4.50    (#    412:25  Double Ambig)
 &rst
  ixpk= 412, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1170,1171,1172,1174,1175,1176, 856, 857, 858, 860,
       861, 862,
 igr2=1201,1202, 815, 816,
 &end
#
#   50 GLU  HA           50 GLU  QG          3.50    (#    413:25  Unique         2.58, 2.94 A)
 &rst
  ixpk= 413, nxpk= 25, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 815, 816,
 &end
#
#    3 GLN  HB2           3 GLN  HG+         2.80    (#    414:25  Unique         2.51, 2.82 A)
 &rst
  ixpk= 414, nxpk= 25, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  47,  48,
 &end
#
#    3 GLN  HB3           3 GLN  HG+         3.50    (#    415:25  Unique         2.20, 2.65 A)
 &rst
  ixpk= 415, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  47,  48,
 &end
#
#   45 LEU  QD-           3 GLN  HG+         5.50    (#    418:25  Unique         2.34, 4.20 A)
 &rst
  ixpk= 418, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2=  47,  48,
 &end
#
#   45 LEU  QD+           3 GLN  HG+         5.50    (#    419:25  Unique         2.34, 4.20 A)
 &rst
  ixpk= 419, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2=  47,  48,
 &end
#
#   54 GLN  HG+          50 GLU  QG          5.50    (#    423:25  Unique         2.62, 3.42 A)
 &rst
  ixpk= 423, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 873, 874,
 igr2= 815, 816,
 &end
#
#    0 AMB  25-3:424      0 AMB  25-1:424    5.50    (#    424:25  Double Ambig)
 &rst
  ixpk= 424, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=  65,  74, 832, 833,
 igr2=1201,1202, 815, 816,
 &end
#
#   76 GLU  HA           76 GLU  QG          4.50    (#    426:25  Unique         2.42, 2.63 A)
 &rst
  ixpk= 426, nxpk= 25, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1201,1202,
 &end
#
#   76 GLU  HN           76 GLU  QG          4.50    (#    427:25  Unique         3.14, 4.03 A)
 &rst
  ixpk= 427, nxpk= 25, iat=1194,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1201,1202,
 &end
#
#    0 AMB  25-3:429      0 AMB  25-1:429    3.50    (#    429:25  Double Ambig)
 &rst
  ixpk= 429, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,  30,  31,  32,  34,  35,  36,
 igr2= 815, 816,1201,1202,
 &end
#
#    2 LEU  HB-          50 GLU  QG          5.50    (#    430:25  Unique         3.40, 4.68 A)
 &rst
  ixpk= 430, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  25,  26,
 igr2= 815, 816,
 &end
#
#   44 ILE  HN           43 GLU  HG+         4.50    (#    433:25  Unique         2.34, 2.91 A)
 &rst
  ixpk= 433, nxpk= 25, iat= 724,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 716, 717,
 &end
#
#    0 AMB  25-3:435      0 AMB  25-1:435    5.50    (#    435:25  Double Ambig)
 &rst
  ixpk= 435, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=  85,  86, 981, 982,
 igr2= 716, 717, 937, 938,
 &end
#
#    0 AMB  25-3:436     58 GLU  HG-         4.50    (#    436:25  Single Ambig)
 &rst
  ixpk= 436, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 945, 883,
 igr2= 937, 938,
 &end
#
#    0 AMB  25-3:437      0 AMB  25-1:437    5.50    (#    437:25  Double Ambig)
 &rst
  ixpk= 437, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 542, 543, 997, 998,
 igr2= 716, 717, 937, 938,
 &end
#
#    7 ILE  QD1          43 GLU  HG+         5.50    (#    438:25  Unique         2.30, 3.87 A)
 &rst
  ixpk= 438, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 134, 135, 136,
 igr2= 716, 717,
 &end
#
#   33 TRP  HD1          43 GLU  HG+         4.50    (#    439:25  Unique         3.35, 4.68 A)
 &rst
  ixpk= 439, nxpk= 25, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 716, 717,
 &end
#
#   43 GLU  HA           43 GLU  HG+         3.50    (#    440:25  Unique         2.39, 2.90 A)
 &rst
  ixpk= 440, nxpk= 25, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 716, 717,
 &end
#
#   43 GLU  HB-          43 GLU  HG+         2.80    (#    441:25  Unique         2.29, 2.77 A)
 &rst
  ixpk= 441, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 713, 714,
 igr2= 716, 717,
 &end
#
#   58 GLU  HN           58 GLU  HG+         3.50    (#    442:25  Unique         2.26, 2.82 A)
 &rst
  ixpk= 442, nxpk= 25, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 937, 938,
 &end
#
#   58 GLU  HA           58 GLU  HG+         3.50    (#    444:25  Unique         2.38, 3.00 A)
 &rst
  ixpk= 444, nxpk= 25, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 937, 938,
 &end
#
#   58 GLU  HN           58 GLU  HG-         3.50    (#    445:25  Unique         2.26, 2.82 A)
 &rst
  ixpk= 445, nxpk= 25, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 937, 938,
 &end
#
#    0 AMB  25-3:446      0 AMB  25-1:446    2.80    (#    446:25  Double Ambig)
 &rst
  ixpk= 446, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 934, 935, 713, 714,
 igr2= 937, 938, 716, 717,
 &end
#
#   58 GLU  HA           58 GLU  HG-         4.50    (#    447:25  Unique         2.38, 3.00 A)
 &rst
  ixpk= 447, nxpk= 25, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 937, 938,
 &end
#
#   55 SER  HA           58 GLU  HG+         5.50    (#    448:25  Unique         2.84, 3.47 A)
 &rst
  ixpk= 448, nxpk= 25, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 937, 938,
 &end
#
#    2 LEU  HN            1 MET  HB+         5.50    (#    449:25  Unique         2.22, 3.15 A)
 &rst
  ixpk= 449, nxpk= 25, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=   8,   9,
 &end
#
#    1 MET  HA            1 MET  HB+         4.50    (#    450:25  Unique         2.42, 2.77 A)
 &rst
  ixpk= 450, nxpk= 25, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=   8,   9,
 &end
#
#    1 MET  HG+           1 MET  HB+         3.50    (#    451:25  Unique         2.39, 2.69 A)
 &rst
  ixpk= 451, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  11,  12,
 igr2=   8,   9,
 &end
#
#    1 MET  HG-           1 MET  HB+         4.50    (#    452:25  Unique         2.39, 2.69 A)
 &rst
  ixpk= 452, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  11,  12,
 igr2=   8,   9,
 &end
#
#    2 LEU  HN            1 MET  HB-         3.50    (#    453:25  Unique         2.22, 3.15 A)
 &rst
  ixpk= 453, nxpk= 25, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=   8,   9,
 &end
#
#    1 MET  HG-           1 MET  HB-         3.50    (#    454:25  Unique         2.39, 2.69 A)
 &rst
  ixpk= 454, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  11,  12,
 igr2=   8,   9,
 &end
#
#    1 MET  HA            1 MET  HB-         4.50    (#    455:25  Unique         2.42, 2.77 A)
 &rst
  ixpk= 455, nxpk= 25, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=   8,   9,
 &end
#
#    1 MET  HG+           1 MET  HB-         3.50    (#    456:25  Unique         2.39, 2.69 A)
 &rst
  ixpk= 456, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  11,  12,
 igr2=   8,   9,
 &end
#
#   80 LEU  QD-           1 MET  HB-         3.50    (#    457:25  Unique         2.28, 6.02 A)
 &rst
  ixpk= 457, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1264,1265,1266,1268,1269,1270,
 igr2=   8,   9,
 &end
#
#   80 LEU  QD+           1 MET  HB+         4.50    (#    458:25  Unique         2.28, 6.02 A)
 &rst
  ixpk= 458, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1264,1265,1266,1268,1269,1270,
 igr2=   8,   9,
 &end
#
#    8 VAL  HB           42 VAL  HB          2.80    (#    460:25  Unique         2.24, 2.53 A)
 &rst
  ixpk= 460, nxpk= 25, iat= 144, 697, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:461     42 VAL  HB          3.50    (#    461:25  Single Ambig)
 &rst
  ixpk= 461, nxpk= 25, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 737, 738, 739, 146, 147, 148, 150, 151, 152,
 &end
#
#    0 AMB  25-3:463     42 VAL  HB          2.80    (#    463:25  Single Ambig)
 &rst
  ixpk= 463, nxpk= 25, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705,
 &end
#
#   24 GLU  HA           24 GLU  HG+         5.50    (#    464:25  Unique         2.88, 3.40 A)
 &rst
  ixpk= 464, nxpk= 25, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 404, 405,
 &end
#
#   24 GLU  HN           24 GLU  HG+         3.50    (#    466:25  Unique         2.33, 3.06 A)
 &rst
  ixpk= 466, nxpk= 25, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 404, 405,
 &end
#
#   24 GLU  HB2          24 GLU  HG-         3.50    (#    468:25  Unique         2.36, 2.45 A)
 &rst
  ixpk= 468, nxpk= 25, iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 404, 405,
 &end
#
#   24 GLU  HN           24 GLU  HG-         4.50    (#    469:25  Unique         2.33, 3.06 A)
 &rst
  ixpk= 469, nxpk= 25, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 404, 405,
 &end
#
#   34 VAL  QG+          34 VAL  HB          3.50    (#    471:25  Unique         2.35, 2.66 A)
 &rst
  ixpk= 471, nxpk= 25, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#   21 VAL  QG+          34 VAL  HB          3.50    (#    472:25  Unique         2.31, 4.21 A)
 &rst
  ixpk= 472, nxpk= 25, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#   34 VAL  HA           34 VAL  HB          3.50    (#    473:25  Unique         2.41, 2.44 A)
 &rst
  ixpk= 473, nxpk= 25, iat= 564, 566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:474     34 VAL  HB          2.80    (#    474:25  Single Ambig)
 &rst
  ixpk= 474, nxpk= 25, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 568, 569, 570, 572, 573, 574, 730, 731, 732, 734,
       735,
 &end
#
#   22 GLN  HE2-         34 VAL  HB          4.50    (#    475:25  Unique         7.95, 8.96 A)
 &rst
  ixpk= 475, nxpk= 25, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 375, 376,
 &end
#
#   74 VAL  HN           74 VAL  HB          2.80    (#    476:25  Unique         2.59, 2.71 A)
 &rst
  ixpk= 476, nxpk= 25, iat=1164,1168, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    8 VAL  HN            8 VAL  HB          3.50    (#    477:25  Unique         2.71, 2.84 A)
 &rst
  ixpk= 477, nxpk= 25, iat= 140, 144, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:478      8 VAL  HB          3.50    (#    478:25  Single Ambig)
 &rst
  ixpk= 478, nxpk= 25, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705, 734, 735,
 &end
#
#   74 VAL  QG-          74 VAL  HB          2.80    (#    479:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 479, nxpk= 25, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   74 VAL  QG+          74 VAL  HB          2.80    (#    480:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 480, nxpk= 25, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   54 GLN  HN           54 GLN  HG+         2.80    (#    481:25  Unique         2.32, 3.11 A)
 &rst
  ixpk= 481, nxpk= 25, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 873, 874,
 &end
#
#   54 GLN  HE2+         54 GLN  HG+         4.50    (#    482:25  Unique         2.15, 3.29 A)
 &rst
  ixpk= 482, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 878, 879,
 igr2= 873, 874,
 &end
#
#   54 GLN  HB3          54 GLN  HG+         3.50    (#    484:25  Unique         2.44, 2.77 A)
 &rst
  ixpk= 484, nxpk= 25, iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 873, 874,
 &end
#
#   54 GLN  HB2          54 GLN  HG+         3.50    (#    485:25  Unique         2.40, 2.47 A)
 &rst
  ixpk= 485, nxpk= 25, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 873, 874,
 &end
#
#   54 GLN  HA           54 GLN  HG+         4.50    (#    486:25  Unique         2.67, 3.28 A)
 &rst
  ixpk= 486, nxpk= 25, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 873, 874,
 &end
#
#   54 GLN  HN           54 GLN  HG-         3.50    (#    487:25  Unique         2.32, 3.11 A)
 &rst
  ixpk= 487, nxpk= 25, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 873, 874,
 &end
#
#   54 GLN  HE2+         54 GLN  HG-         3.50    (#    488:25  Unique         2.15, 3.29 A)
 &rst
  ixpk= 488, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 878, 879,
 igr2= 873, 874,
 &end
#
#   54 GLN  HE2-         54 GLN  HG-         4.50    (#    489:25  Unique         2.15, 3.29 A)
 &rst
  ixpk= 489, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 878, 879,
 igr2= 873, 874,
 &end
#
#   54 GLN  HB3          54 GLN  HG-         2.80    (#    491:25  Unique         2.44, 2.77 A)
 &rst
  ixpk= 491, nxpk= 25, iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 873, 874,
 &end
#
#   54 GLN  HB2          54 GLN  HG-         3.50    (#    492:25  Unique         2.40, 2.47 A)
 &rst
  ixpk= 492, nxpk= 25, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 873, 874,
 &end
#
#    0 AMB  25-3:493      8 VAL  HB          4.50    (#    493:25  Single Ambig)
 &rst
  ixpk= 493, nxpk= 25, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 693, 156,
 &end
#
#    8 VAL  QG+           8 VAL  HB          2.80    (#    495:25  Unique         2.35, 2.66 A)
 &rst
  ixpk= 495, nxpk= 25, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 146, 147, 148, 150, 151, 152,
 &end
#
#   42 VAL  HB            8 VAL  HB          2.80    (#    496:25  Unique         2.24, 2.53 A)
 &rst
  ixpk= 496, nxpk= 25, iat= 697, 144, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:497      8 VAL  HB          2.80    (#    497:25  Single Ambig)
 &rst
  ixpk= 497, nxpk= 25, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 146, 147, 148, 150, 151, 152, 737, 738, 739,
 &end
#
#   54 GLN  HA           54 GLN  HG-         4.50    (#    498:25  Unique         2.67, 3.28 A)
 &rst
  ixpk= 498, nxpk= 25, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 873, 874,
 &end
#
#    0 AMB  25-3:499      3 GLN  HB2         5.50    (#    499:25  Single Ambig)
 &rst
  ixpk= 499, nxpk= 25, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1213,1214,1249,
 &end
#
#    3 GLN  HG+           3 GLN  HB2         4.50    (#    500:25  Unique         2.51, 2.82 A)
 &rst
  ixpk= 500, nxpk= 25, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  47,  48,
 &end
#
#    0 AMB  25-3:501      3 GLN  HB2         4.50    (#    501:25  Single Ambig)
 &rst
  ixpk= 501, nxpk= 25, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  40,1244,
 &end
#
#   35 LYS  HG+          43 GLU  HB-         4.50    (#    503:25  Unique         2.17, 3.24 A)
 &rst
  ixpk= 503, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 585, 586,
 igr2= 713, 714,
 &end
#
#    3 GLN  HE2+          3 GLN  HB3         4.50    (#    505:25  Unique         3.41, 4.06 A)
 &rst
  ixpk= 505, nxpk= 25, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  52,  53,
 &end
#
#    3 GLN  HA            3 GLN  HB3         4.50    (#    506:25  Unique         3.01, 3.03 A)
 &rst
  ixpk= 506, nxpk= 25, iat=  42,  45, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:508      3 GLN  HB3         4.50    (#    508:25  Single Ambig)
 &rst
  ixpk= 508, nxpk= 25, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  40,1244,
 &end
#
#   68 LYS  HN           68 LYS  QB          5.50    (#    511:25  Unique         2.89, 3.23 A)
 &rst
  ixpk= 511, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1074,1075,
 &end
#
#    0 AMB  25-3:512     43 GLU  HB-         4.50    (#    512:25  Single Ambig)
 &rst
  ixpk= 512, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 134, 135, 136, 127, 128, 129,
 igr2= 713, 714,
 &end
#
#    0 AMB  25-3:513      0 AMB  25-1:513    4.50    (#    513:25  Double Ambig)
 &rst
  ixpk= 513, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 624, 625,1213,1214,
 igr2= 713, 714,  45,
 &end
#
#   43 GLU  HA           43 GLU  HB-         3.50    (#    514:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 514, nxpk= 25, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 713, 714,
 &end
#
#   68 LYS  HA           68 LYS  QB          3.50    (#    518:25  Unique         2.42, 2.77 A)
 &rst
  ixpk= 518, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1074,1075,
 &end
#
#   68 LYS  HG+          68 LYS  QB          3.50    (#    519:25  Unique         2.39, 2.72 A)
 &rst
  ixpk= 519, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1077,1078,
 igr2=1074,1075,
 &end
#
#   68 LYS  HN           68 LYS  QB          4.50    (#    521:25  Unique         2.89, 3.23 A)
 &rst
  ixpk= 521, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1074,1075,
 &end
#
#   68 LYS  HA           68 LYS  QB          3.50    (#    522:25  Unique         2.42, 2.77 A)
 &rst
  ixpk= 522, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1074,1075,
 &end
#
#   68 LYS  HG+          68 LYS  QB          3.50    (#    523:25  Unique         2.39, 2.72 A)
 &rst
  ixpk= 523, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1077,1078,
 igr2=1074,1075,
 &end
#
#   35 LYS  HG+          43 GLU  HB+         4.50    (#    524:25  Unique         2.17, 3.24 A)
 &rst
  ixpk= 524, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 585, 586,
 igr2= 713, 714,
 &end
#
#   43 GLU  HA           43 GLU  HB+         4.50    (#    525:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 525, nxpk= 25, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 713, 714,
 &end
#
#   23 MET  HN           22 GLN  QG          5.50    (#    529:25  Unique         4.47, 4.74 A)
 &rst
  ixpk= 529, nxpk= 25, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 370, 371,
 &end
#
#   19 TYR  HA           22 GLN  QG          5.50    (#    530:25  Unique         4.05, 4.67 A)
 &rst
  ixpk= 530, nxpk= 25, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 370, 371,
 &end
#
#   23 MET  HA           22 GLN  QG          5.50    (#    531:25  Unique         4.55, 5.09 A)
 &rst
  ixpk= 531, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 370, 371,
 &end
#
#   22 GLN  HN           22 GLN  QG          4.50    (#    532:25  Unique         4.51, 4.54 A)
 &rst
  ixpk= 532, nxpk= 25, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 370, 371,
 &end
#
#   22 GLN  HE2+         22 GLN  QG          3.50    (#    533:25  Unique         3.16, 3.71 A)
 &rst
  ixpk= 533, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 375, 376,
 igr2= 370, 371,
 &end
#
#   22 GLN  HE2-         22 GLN  QG          3.50    (#    534:25  Unique         3.16, 3.71 A)
 &rst
  ixpk= 534, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 375, 376,
 igr2= 370, 371,
 &end
#
#   86 PHE  QD           22 GLN  QG          3.50    (#    535:25  Unique         2.83, 5.31 A)
 &rst
  ixpk= 535, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1362,1370,
 igr2= 370, 371,
 &end
#
#   22 GLN  HA           22 GLN  QG          4.50    (#    536:25  Unique         2.72, 3.26 A)
 &rst
  ixpk= 536, nxpk= 25, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 370, 371,
 &end
#
#   37 ARG  HN           37 ARG  HB3         4.50    (#    537:25  Unique         3.51, 3.55 A)
 &rst
  ixpk= 537, nxpk= 25, iat= 614, 619, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 ARG  HA           37 ARG  HB3         4.50    (#    538:25  Unique         2.54, 2.57 A)
 &rst
  ixpk= 538, nxpk= 25, iat= 616, 619, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 ASP  HN           37 ARG  HB3         4.50    (#    540:25  Unique         2.21, 2.47 A)
 &rst
  ixpk= 540, nxpk= 25, iat= 650, 619, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 VAL  HA           37 ARG  HB3         5.50    (#    541:25  Unique         5.85, 6.02 A)
 &rst
  ixpk= 541, nxpk= 25, iat= 695, 619, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 ARG  HG-          37 ARG  HB3         4.50    (#    542:25  Unique         2.32, 2.73 A)
 &rst
  ixpk= 542, nxpk= 25, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 621, 622,
 &end
#
#   37 ARG  HN           37 ARG  HB2         4.50    (#    544:25  Unique         2.21, 2.29 A)
 &rst
  ixpk= 544, nxpk= 25, iat= 614, 618, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 ARG  HN           37 ARG  HB2         4.50    (#    545:25  Unique         2.58, 2.90 A)
 &rst
  ixpk= 545, nxpk= 25, iat= 669, 618, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 VAL  QG+          13 GLN  HG+         5.50    (#    546:25  Unique         2.47, 5.13 A)
 &rst
  ixpk= 546, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 699, 700, 701, 703, 704, 705,
 igr2= 222, 223,
 &end
#
#   13 GLN  HE2+         13 GLN  HG+         4.50    (#    547:25  Unique         2.24, 3.41 A)
 &rst
  ixpk= 547, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 227, 228,
 igr2= 222, 223,
 &end
#
#   13 GLN  HB2          13 GLN  HG+         3.50    (#    550:25  Unique         2.38, 2.51 A)
 &rst
  ixpk= 550, nxpk= 25, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 222, 223,
 &end
#
#   42 VAL  QG+          13 GLN  HG-         4.50    (#    551:25  Unique         2.47, 5.13 A)
 &rst
  ixpk= 551, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 699, 700, 701, 703, 704, 705,
 igr2= 222, 223,
 &end
#
#   37 ARG  HD-          37 ARG  HB2         4.50    (#    555:25  Unique         2.50, 3.02 A)
 &rst
  ixpk= 555, nxpk= 25, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 624, 625,
 &end
#
#    0 AMB  25-3:558      0 AMB  25-1:558    3.50    (#    558:25  Double Ambig)
 &rst
  ixpk= 558, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 245, 246, 247, 249, 250, 251, 205, 206, 207, 209,
       210, 211,
 igr2= 243, 222, 223,
 &end
#
#   66 PHE  HB+          15 VAL  HB          4.50    (#    559:25  Unique         2.24, 2.76 A)
 &rst
  ixpk= 559, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1043,1044,
 &end
#
#    0 AMB  25-3:561     76 GLU  QB          3.50    (#    561:25  Single Ambig)
 &rst
  ixpk= 561, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 igr2=1198,1199,
 &end
#
#   76 GLU  HN           76 GLU  QB          3.50    (#    562:25  Unique         2.29, 3.14 A)
 &rst
  ixpk= 562, nxpk= 25, iat=1194,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1198,1199,
 &end
#
#   76 GLU  HA           76 GLU  QB          2.80    (#    563:25  Unique         2.59, 2.82 A)
 &rst
  ixpk= 563, nxpk= 25, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1198,1199,
 &end
#
#   77 SER  HN           76 GLU  QB          3.50    (#    564:25  Unique         2.45, 3.36 A)
 &rst
  ixpk= 564, nxpk= 25, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1198,1199,
 &end
#
#   15 VAL  HA           15 VAL  HB          3.50    (#    565:25  Unique         2.52, 2.57 A)
 &rst
  ixpk= 565, nxpk= 25, iat= 241, 243, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 VAL  QG+          15 VAL  HB          3.50    (#    566:25  Unique         2.37, 2.65 A)
 &rst
  ixpk= 566, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 245, 246, 247, 249, 250, 251,
 &end
#
#   66 PHE  HB-          15 VAL  HB          4.50    (#    567:25  Unique         2.24, 2.76 A)
 &rst
  ixpk= 567, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1043,1044,
 &end
#
#    0 AMB  25-3:575     75 THR  HB          4.50    (#    575:25  Single Ambig)
 &rst
  ixpk= 575, nxpk= 25, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  82, 112, 113,
 &end
#
#   75 THR  HA           75 THR  HB          3.50    (#    581:25  Unique         2.86, 3.01 A)
 &rst
  ixpk= 581, nxpk= 25, iat=1182,1184, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 THR  QG2          75 THR  HB          2.80    (#    583:25  Unique         2.44, 2.66 A)
 &rst
  ixpk= 583, nxpk= 25, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1186,1187,1188,
 &end
#
#    0 AMB  25-3:584     75 THR  HB          2.80    (#    584:25  Single Ambig)
 &rst
  ixpk= 584, nxpk= 25, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1180,  78,
 &end
#
#   83 HIS  HN           83 HIS  HB2         4.50    (#    587:25  Unique         2.37, 2.80 A)
 &rst
  ixpk= 587, nxpk= 25, iat=1296,1300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 ALA  QB           83 HIS  HB2         3.50    (#    588:25  Unique         2.35, 4.18 A)
 &rst
  ixpk= 588, nxpk= 25, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 525, 526, 527,
 &end
#
#   83 HIS  HN           83 HIS  HB3         3.50    (#    590:25  Unique         2.37, 2.67 A)
 &rst
  ixpk= 590, nxpk= 25, iat=1296,1301, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 ALA  QB           83 HIS  HB3         3.50    (#    592:25  Unique         2.18, 3.01 A)
 &rst
  ixpk= 592, nxpk= 25, iat=  -1,1301, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 525, 526, 527,
 &end
#
#   89 VAL  HN           89 VAL  HB          3.50    (#    593:25  Unique         2.36, 2.42 A)
 &rst
  ixpk= 593, nxpk= 25, iat=1404,1408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   89 VAL  QG+          89 VAL  HB          2.80    (#    594:25  Unique         2.44, 2.67 A)
 &rst
  ixpk= 594, nxpk= 25, iat=  -1,1408, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   89 VAL  QG-          89 VAL  HB          2.80    (#    595:25  Unique         2.44, 2.67 A)
 &rst
  ixpk= 595, nxpk= 25, iat=  -1,1408, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   28 ARG  HN           27 LYS  QB          5.50    (#    596:25  Unique         3.79, 4.02 A)
 &rst
  ixpk= 596, nxpk= 25, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 438, 439,
 &end
#
#   12 VAL  HA           12 VAL  HB          3.50    (#    597:25  Unique         2.45, 2.47 A)
 &rst
  ixpk= 597, nxpk= 25, iat= 201, 203, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 VAL  QG+          12 VAL  HB          3.50    (#    598:25  Unique         2.62, 4.32 A)
 &rst
  ixpk= 598, nxpk= 25, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 699, 700, 701, 703, 704, 705,
 &end
#
#   12 VAL  QG-          12 VAL  HB          3.50    (#    599:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 599, nxpk= 25, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   12 VAL  QG+          12 VAL  HB          3.50    (#    600:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 600, nxpk= 25, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   83 HIS  HA           83 HIS  HB3         4.50    (#    602:25  Unique         2.31, 2.90 A)
 &rst
  ixpk= 602, nxpk= 25, iat=1298,1301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 VAL  HA           89 VAL  HB          4.50    (#    603:25  Unique         3.04, 3.05 A)
 &rst
  ixpk= 603, nxpk= 25, iat=1406,1408, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 LYS  HA           61 LYS  HB+         2.80    (#    604:25  Unique         2.35, 2.40 A)
 &rst
  ixpk= 604, nxpk= 25, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 975, 976,
 &end
#
#   35 LYS  HG-          89 VAL  HB          5.50    (#    606:25  Unique         4.67, 4.84 A)
 &rst
  ixpk= 606, nxpk= 25, iat=  -1,1408, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 585, 586,
 &end
#
#   27 LYS  HN           27 LYS  QB          2.80    (#    608:25  Unique         2.22, 3.03 A)
 &rst
  ixpk= 608, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 438, 439,
 &end
#
#   58 GLU  HA           61 LYS  HB+         5.50    (#    609:25  Unique         4.07, 4.64 A)
 &rst
  ixpk= 609, nxpk= 25, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 975, 976,
 &end
#
#    0 AMB  25-3:610      0 AMB  25-1:610    4.50    (#    610:25  Double Ambig)
 &rst
  ixpk= 610, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 447, 448, 292, 293, 997, 998,
 igr2= 438, 439,1408, 975, 976,
 &end
#
#    0 AMB  25-3:612     12 VAL  HB          5.50    (#    612:25  Single Ambig)
 &rst
  ixpk= 612, nxpk= 25, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 146, 147, 148, 150, 151, 152,1098,1099,1100,1102,
      1103,1104,1098,1099,1100,1102,1103,1104,
 &end
#
#   49 PRO  HA            0 AMB  25-1:613    3.50    (#    613:25  Single Ambig)
 &rst
  ixpk= 613, nxpk= 25, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 801, 802,  11,  12,
 &end
#
#   49 PRO  HD-           0 AMB  25-1:614    4.50    (#    614:25  Single Ambig)
 &rst
  ixpk= 614, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 795, 796,
 igr2= 801, 802,  11,  12,
 &end
#
#    0 AMB  25-3:615      0 AMB  25-1:615    5.50    (#    615:25  Double Ambig)
 &rst
  ixpk= 615, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 841, 842, 843,  25,  26,
 igr2= 801, 802,  11,  12,
 &end
#
#   49 PRO  HA           49 PRO  HB-         3.50    (#    618:25  Unique         2.29, 2.53 A)
 &rst
  ixpk= 618, nxpk= 25, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 801, 802,
 &end
#
#    0 AMB  25-3:619     49 PRO  HB-         4.50    (#    619:25  Single Ambig)
 &rst
  ixpk= 619, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 795, 796,   6,
 igr2= 801, 802,
 &end
#
#   52 ALA  QB           49 PRO  HB-         4.50    (#    620:25  Unique         3.96, 5.22 A)
 &rst
  ixpk= 620, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 841, 842, 843,
 igr2= 801, 802,
 &end
#
#   49 PRO  HD-          49 PRO  HB-         5.50    (#    621:25  Unique         2.92, 3.76 A)
 &rst
  ixpk= 621, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 795, 796,
 igr2= 801, 802,
 &end
#
#   61 LYS  HN           61 LYS  HB+         2.80    (#    623:25  Unique         2.60, 3.18 A)
 &rst
  ixpk= 623, nxpk= 25, iat= 971,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 975, 976,
 &end
#
#   61 LYS  HA           61 LYS  HB+         2.80    (#    624:25  Unique         2.35, 2.40 A)
 &rst
  ixpk= 624, nxpk= 25, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 975, 976,
 &end
#
#   27 LYS  QG           27 LYS  QB          2.80    (#    625:25  Unique         2.35, 2.75 A)
 &rst
  ixpk= 625, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 441, 442,
 igr2= 438, 439,
 &end
#
#   34 VAL  HN           33 TRP  HB+         3.50    (#    626:25  Unique         2.41, 3.15 A)
 &rst
  ixpk= 626, nxpk= 25, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 542, 543,
 &end
#
#   89 VAL  QG-          33 TRP  HB-         3.50    (#    629:25  Unique         2.22, 5.16 A)
 &rst
  ixpk= 629, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1410,1411,1412,1414,1415,1416,
 igr2= 542, 543,
 &end
#
#   34 VAL  HN           33 TRP  HB-         3.50    (#    630:25  Unique         2.41, 3.15 A)
 &rst
  ixpk= 630, nxpk= 25, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 542, 543,
 &end
#
#   33 TRP  HA           33 TRP  HB-         3.50    (#    631:25  Unique         2.41, 2.44 A)
 &rst
  ixpk= 631, nxpk= 25, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 542, 543,
 &end
#
#    1 MET  HA            1 MET  HG-         3.50    (#    635:25  Unique         2.44, 3.05 A)
 &rst
  ixpk= 635, nxpk= 25, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  11,  12,
 &end
#
#   50 GLU  HN            0 AMB  25-1:637    5.50    (#    637:25  Single Ambig)
 &rst
  ixpk= 637, nxpk= 25, iat= 808,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 801, 802,  11,  12,
 &end
#
#   49 PRO  HG+          49 PRO  HB+         2.80    (#    638:25  Unique         2.34, 2.62 A)
 &rst
  ixpk= 638, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 798, 799,
 igr2= 801, 802,
 &end
#
#   23 MET  HA           23 MET  HB3         4.50    (#    639:25  Unique         2.34, 3.01 A)
 &rst
  ixpk= 639, nxpk= 25, iat= 382, 385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLN  HE2+         23 MET  HG+         5.50    (#    640:25  Unique         2.36, 5.23 A)
 &rst
  ixpk= 640, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 375, 376,
 igr2= 387, 388,
 &end
#
#   23 MET  HN           23 MET  HG+         3.50    (#    641:25  Unique         2.19, 4.34 A)
 &rst
  ixpk= 641, nxpk= 25, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 387, 388,
 &end
#
#    0 AMB  25-3:642      0 AMB  25-1:642    3.50    (#    642:25  Double Ambig)
 &rst
  ixpk= 642, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1094, 382,
 igr2=1096, 387, 388,
 &end
#
#    0 AMB  25-3:643     69 VAL  HB          2.80    (#    643:25  Single Ambig)
 &rst
  ixpk= 643, nxpk= 25, iat=  -1,1096, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104, 146, 147, 148, 150, 151, 152,
 &end
#
#   23 MET  HA           23 MET  HG-         4.50    (#    644:25  Unique         2.55, 2.91 A)
 &rst
  ixpk= 644, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 387, 388,
 &end
#
#   89 VAL  QG-          33 TRP  HB+         4.50    (#    647:25  Unique         2.22, 5.16 A)
 &rst
  ixpk= 647, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1410,1411,1412,1414,1415,1416,
 igr2= 542, 543,
 &end
#
#    0 AMB  25-3:648      0 AMB  25-1:648    5.50    (#    648:25  Double Ambig)
 &rst
  ixpk= 648, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=   6, 795, 796,
 igr2=  11,  12,  11,  12,
 &end
#
#    1 MET  HB+           1 MET  HG+         3.50    (#    650:25  Unique         2.39, 2.69 A)
 &rst
  ixpk= 650, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   8,   9,
 igr2=  11,  12,
 &end
#
#    0 AMB  25-3:651      0 AMB  25-1:651    3.50    (#    651:25  Double Ambig)
 &rst
  ixpk= 651, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=   8,   9,1278,1279,
 igr2=  11,  12,  11,  12,
 &end
#
#   80 LEU  QD-           1 MET  HG+         5.50    (#    652:25  Unique         3.61, 7.13 A)
 &rst
  ixpk= 652, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1264,1265,1266,1268,1269,1270,
 igr2=  11,  12,
 &end
#
#    0 AMB  25-3:654      1 MET  HG-         3.50    (#    654:25  Single Ambig)
 &rst
  ixpk= 654, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   8,   9,1278,1279,
 igr2=  11,  12,
 &end
#
#   80 LEU  QD+           1 MET  HG-         5.50    (#    655:25  Unique         3.61, 7.13 A)
 &rst
  ixpk= 655, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1264,1265,1266,1268,1269,1270,
 igr2=  11,  12,
 &end
#
#    2 LEU  HN            0 AMB  25-1:656    4.50    (#    656:25  Single Ambig)
 &rst
  ixpk= 656, nxpk= 25, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=  11,  12, 801, 802,
 &end
#
#   23 MET  HN           23 MET  HB3         5.50    (#    659:25  Unique         2.22, 2.46 A)
 &rst
  ixpk= 659, nxpk= 25, iat= 380, 385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 MET  HG-          23 MET  HB2         3.50    (#    660:25  Unique         2.27, 2.74 A)
 &rst
  ixpk= 660, nxpk= 25, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 387, 388,
 &end
#
#   23 MET  HN           23 MET  HB2         4.50    (#    661:25  Unique         2.55, 2.58 A)
 &rst
  ixpk= 661, nxpk= 25, iat= 380, 384, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 VAL  HN           69 VAL  HB          2.80    (#    662:25  Unique         2.31, 2.43 A)
 &rst
  ixpk= 662, nxpk= 25, iat=1092,1096, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   61 LYS  HA           69 VAL  HB          5.50    (#    663:25  Unique         3.77, 3.96 A)
 &rst
  ixpk= 663, nxpk= 25, iat= 973,1096, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 MET  HN           23 MET  HG-         3.50    (#    664:25  Unique         2.19, 4.34 A)
 &rst
  ixpk= 664, nxpk= 25, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 387, 388,
 &end
#
#   86 PHE  HN           85 ARG  QB          2.80    (#    665:25  Unique         1.88, 2.91 A)
 &rst
  ixpk= 665, nxpk= 25, iat=1354,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1334,1335,
 &end
#
#   85 ARG  HA           85 ARG  QB          2.80    (#    666:25  Unique         2.32, 2.58 A)
 &rst
  ixpk= 666, nxpk= 25, iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1334,1335,
 &end
#
#   85 ARG  QD           85 ARG  QB          3.50    (#    667:25  Unique         2.22, 3.38 A)
 &rst
  ixpk= 667, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1340,1341,
 igr2=1334,1335,
 &end
#
#   85 ARG  HG+          85 ARG  QB          2.80    (#    668:25  Unique         2.26, 2.62 A)
 &rst
  ixpk= 668, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1337,1338,
 igr2=1334,1335,
 &end
#
#   85 ARG  HG-          85 ARG  QB          2.80    (#    669:25  Unique         2.26, 2.62 A)
 &rst
  ixpk= 669, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1337,1338,
 igr2=1334,1335,
 &end
#
#   23 MET  HB3          27 LYS  QB          5.50    (#    670:25  Unique         4.84, 6.98 A)
 &rst
  ixpk= 670, nxpk= 25, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 438, 439,
 &end
#
#    0 AMB  25-3:671      0 AMB  25-1:671    4.50    (#    671:25  Double Ambig)
 &rst
  ixpk= 671, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 384, 918, 222, 223,
 igr2= 438, 439, 975, 976, 673, 674,
 &end
#
#   33 TRP  HA           33 TRP  HB+         2.80    (#    674:25  Unique         2.41, 2.44 A)
 &rst
  ixpk= 674, nxpk= 25, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 542, 543,
 &end
#
#   23 MET  HA           23 MET  HB2         4.50    (#    677:25  Unique         2.34, 2.47 A)
 &rst
  ixpk= 677, nxpk= 25, iat= 382, 384, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 MET  HB3          23 MET  HG+         2.80    (#    678:25  Unique         2.44, 2.75 A)
 &rst
  ixpk= 678, nxpk= 25, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 387, 388,
 &end
#
#   23 MET  HB2          23 MET  HG+         2.80    (#    679:25  Unique         2.27, 2.74 A)
 &rst
  ixpk= 679, nxpk= 25, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 387, 388,
 &end
#
#   23 MET  HB3          23 MET  HG-         3.50    (#    681:25  Unique         2.44, 2.75 A)
 &rst
  ixpk= 681, nxpk= 25, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 387, 388,
 &end
#
#   23 MET  HB2          23 MET  HG-         2.80    (#    682:25  Unique         2.27, 2.74 A)
 &rst
  ixpk= 682, nxpk= 25, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 387, 388,
 &end
#
#    5 ARG  HA            5 ARG  HB3         3.50    (#    683:25  Unique         3.03, 3.04 A)
 &rst
  ixpk= 683, nxpk= 25, iat=  80,  83, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 ARG  HN           41 ARG  QB          2.80    (#    684:25  Unique         2.15, 2.92 A)
 &rst
  ixpk= 684, nxpk= 25, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 673, 674,
 &end
#
#   41 ARG  HA           41 ARG  QB          3.50    (#    685:25  Unique         2.52, 2.83 A)
 &rst
  ixpk= 685, nxpk= 25, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 673, 674,
 &end
#
#    0 AMB  25-3:686     41 ARG  QB          2.80    (#    686:25  Single Ambig)
 &rst
  ixpk= 686, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 624, 625, 679, 680,
 igr2= 673, 674,
 &end
#
#   42 VAL  HN           41 ARG  QB          2.80    (#    687:25  Unique         2.20, 3.02 A)
 &rst
  ixpk= 687, nxpk= 25, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 673, 674,
 &end
#
#    5 ARG  HN            5 ARG  HB3         3.50    (#    688:25  Unique         2.68, 2.86 A)
 &rst
  ixpk= 688, nxpk= 25, iat=  78,  83, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 THR  HB            5 ARG  HB3         3.50    (#    689:25  Unique         2.24, 2.37 A)
 &rst
  ixpk= 689, nxpk= 25, iat=1184,  83, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 ARG  HD-           5 ARG  HB2         5.50    (#    690:25  Unique         2.40, 3.05 A)
 &rst
  ixpk= 690, nxpk= 25, iat=  -1,  82, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  88,  89,
 &end
#
#    5 ARG  HG+           5 ARG  HB2         3.50    (#    691:25  Unique         2.32, 2.75 A)
 &rst
  ixpk= 691, nxpk= 25, iat=  -1,  82, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  85,  86,
 &end
#
#   45 LEU  QD-           5 ARG  HB2         5.50    (#    692:25  Unique         3.25, 4.30 A)
 &rst
  ixpk= 692, nxpk= 25, iat=  -1,  82, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 752, 753, 754, 756, 757, 758,
 &end
#
#    5 ARG  HN            5 ARG  HB2         3.50    (#    693:25  Unique         3.11, 3.24 A)
 &rst
  ixpk= 693, nxpk= 25, iat=  78,  82, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 ARG  HA            5 ARG  HB2         3.50    (#    694:25  Unique         2.47, 2.54 A)
 &rst
  ixpk= 694, nxpk= 25, iat=  80,  82, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  QD+          28 ARG  HB2         5.50    (#    696:25  Unique         3.91, 5.23 A)
 &rst
  ixpk= 696, nxpk= 25, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   28 ARG  HA           28 ARG  HB2         4.50    (#    697:25  Unique         2.37, 2.42 A)
 &rst
  ixpk= 697, nxpk= 25, iat= 458, 460, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 GLN  HA           57 VAL  HB          4.50    (#    699:25  Unique         2.75, 2.96 A)
 &rst
  ixpk= 699, nxpk= 25, iat= 868, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 VAL  HN           57 VAL  HB          2.80    (#    700:25  Unique         2.38, 2.58 A)
 &rst
  ixpk= 700, nxpk= 25, iat= 914, 918, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   57 VAL  HA           57 VAL  HB          4.50    (#    701:25  Unique         3.04, 3.05 A)
 &rst
  ixpk= 701, nxpk= 25, iat= 916, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 PRO  HA           65 PRO  HB+         3.50    (#    702:25  Unique         2.27, 2.59 A)
 &rst
  ixpk= 702, nxpk= 25, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1032,1033,
 &end
#
#   27 LYS  QD           28 ARG  HB3         5.50    (#    704:25  Unique         3.70, 6.15 A)
 &rst
  ixpk= 704, nxpk= 25, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 444, 445,
 &end
#
#   30 LEU  HG           28 ARG  HB3         4.50    (#    705:25  Unique         2.13, 2.29 A)
 &rst
  ixpk= 705, nxpk= 25, iat= 509, 461, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ARG  HA           28 ARG  HB3         3.50    (#    706:25  Unique         3.03, 3.04 A)
 &rst
  ixpk= 706, nxpk= 25, iat= 458, 461, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 ARG  HN           28 ARG  HB3         4.50    (#    707:25  Unique         2.39, 2.56 A)
 &rst
  ixpk= 707, nxpk= 25, iat= 456, 461, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ARG  HD+          28 ARG  HB3         5.50    (#    708:25  Unique         3.68, 3.98 A)
 &rst
  ixpk= 708, nxpk= 25, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 466, 467,
 &end
#
#   30 LEU  HG           28 ARG  HB2         4.50    (#    710:25  Unique         3.77, 3.99 A)
 &rst
  ixpk= 710, nxpk= 25, iat= 509, 460, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ARG  HN           28 ARG  HB2         3.50    (#    711:25  Unique         2.82, 2.92 A)
 &rst
  ixpk= 711, nxpk= 25, iat= 456, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:712     28 ARG  HB2         4.50    (#    712:25  Single Ambig)
 &rst
  ixpk= 712, nxpk= 25, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 444, 445, 490, 491,
 &end
#
#   27 LYS  QG           28 ARG  HB2         4.50    (#    713:25  Unique         2.55, 3.43 A)
 &rst
  ixpk= 713, nxpk= 25, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 441, 442,
 &end
#
#   65 PRO  HA           65 PRO  HB-         3.50    (#    714:25  Unique         2.27, 2.59 A)
 &rst
  ixpk= 714, nxpk= 25, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1032,1033,
 &end
#
#   65 PRO  HD+          65 PRO  HB-         5.50    (#    716:25  Unique         2.85, 3.69 A)
 &rst
  ixpk= 716, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1026,1027,
 igr2=1032,1033,
 &end
#
#   65 PRO  HD-          65 PRO  HB-         4.50    (#    717:25  Unique         2.85, 3.69 A)
 &rst
  ixpk= 717, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1026,1027,
 igr2=1032,1033,
 &end
#
#   65 PRO  QG           65 PRO  HB-         2.80    (#    718:25  Unique         2.37, 2.63 A)
 &rst
  ixpk= 718, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1029,1030,
 igr2=1032,1033,
 &end
#
#   58 GLU  HN           57 VAL  HB          3.50    (#    719:25  Unique         2.67, 2.75 A)
 &rst
  ixpk= 719, nxpk= 25, iat= 930, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 VAL  QG-          57 VAL  HB          2.80    (#    720:25  Unique         2.32, 2.67 A)
 &rst
  ixpk= 720, nxpk= 25, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#   57 VAL  QG+          57 VAL  HB          3.50    (#    721:25  Unique         2.32, 2.67 A)
 &rst
  ixpk= 721, nxpk= 25, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#   65 PRO  HD-          65 PRO  HB+         5.50    (#    722:25  Unique         2.85, 3.69 A)
 &rst
  ixpk= 722, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1026,1027,
 igr2=1032,1033,
 &end
#
#   60 VAL  HN           60 VAL  HB          2.80    (#    724:25  Unique         2.24, 2.30 A)
 &rst
  ixpk= 724, nxpk= 25, iat= 955, 959, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   57 VAL  HA           60 VAL  HB          3.50    (#    725:25  Unique         2.14, 2.21 A)
 &rst
  ixpk= 725, nxpk= 25, iat= 916, 959, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:726     60 VAL  HB          2.80    (#    726:25  Single Ambig)
 &rst
  ixpk= 726, nxpk= 25, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 961, 962, 963,1147,1148,1149,
 &end
#
#   60 VAL  QG2          60 VAL  HB          3.50    (#    727:25  Unique         2.36, 2.68 A)
 &rst
  ixpk= 727, nxpk= 25, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 965, 966, 967,
 &end
#
#   34 VAL  QG+          21 VAL  HB          5.50    (#    728:25  Unique         2.49, 3.87 A)
 &rst
  ixpk= 728, nxpk= 25, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#   21 VAL  HN           21 VAL  HB          3.50    (#    729:25  Unique         2.28, 2.37 A)
 &rst
  ixpk= 729, nxpk= 25, iat= 347, 351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLN  HN           21 VAL  HB          4.50    (#    730:25  Unique         2.59, 2.76 A)
 &rst
  ixpk= 730, nxpk= 25, iat= 363, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 VAL  HA           21 VAL  HB          5.50    (#    731:25  Unique         3.04, 3.05 A)
 &rst
  ixpk= 731, nxpk= 25, iat= 349, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 ARG  HA           21 VAL  HB          5.50    (#    732:25  Unique         2.58, 2.81 A)
 &rst
  ixpk= 732, nxpk= 25, iat= 284, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 VAL  QG+          21 VAL  HB          2.80    (#    733:25  Unique         2.41, 2.67 A)
 &rst
  ixpk= 733, nxpk= 25, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#   21 VAL  QG-          21 VAL  HB          3.50    (#    734:25  Unique         2.41, 2.67 A)
 &rst
  ixpk= 734, nxpk= 25, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#   60 VAL  HA           60 VAL  HB          5.50    (#    736:25  Unique         3.02, 3.03 A)
 &rst
  ixpk= 736, nxpk= 25, iat= 957, 959, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:737     60 VAL  HB          4.50    (#    737:25  Single Ambig)
 &rst
  ixpk= 737, nxpk= 25, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1= 920, 921, 922, 924, 925, 926, 146, 147, 148, 150,
       151, 152, 737, 738, 739, 353, 354, 355, 357, 358,
       359,
 &end
#
#   81 GLU  HA           81 GLU  QB          2.80    (#    744:25  Unique         2.38, 2.78 A)
 &rst
  ixpk= 744, nxpk= 25, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1278,1279,
 &end
#
#   81 GLU  HG+          81 GLU  QB          2.80    (#    745:25  Unique         2.17, 2.63 A)
 &rst
  ixpk= 745, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1281,1282,
 igr2=1278,1279,
 &end
#
#   82 GLY  HN           81 GLU  QB          4.50    (#    747:25  Unique         2.21, 3.88 A)
 &rst
  ixpk= 747, nxpk= 25, iat=1289,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1278,1279,
 &end
#
#   78 ARG  HA           78 ARG  HB+         3.50    (#    749:25  Unique         2.43, 2.73 A)
 &rst
  ixpk= 749, nxpk= 25, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1224,1225,
 &end
#
#   78 ARG  QD           78 ARG  HB-         4.50    (#    751:25  Unique         2.27, 3.05 A)
 &rst
  ixpk= 751, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1230,1231,
 igr2=1224,1225,
 &end
#
#   78 ARG  HA           78 ARG  HB-         3.50    (#    752:25  Unique         2.43, 2.73 A)
 &rst
  ixpk= 752, nxpk= 25, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1224,1225,
 &end
#
#   78 ARG  QD           78 ARG  HB+         4.50    (#    753:25  Unique         2.27, 3.05 A)
 &rst
  ixpk= 753, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1230,1231,
 igr2=1224,1225,
 &end
#
#   51 ASN  HN           50 GLU  QB          5.50    (#    754:25  Unique         2.64, 3.39 A)
 &rst
  ixpk= 754, nxpk= 25, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 812, 813,
 &end
#
#   50 GLU  HN           50 GLU  QB          3.50    (#    756:25  Unique         2.34, 2.44 A)
 &rst
  ixpk= 756, nxpk= 25, iat= 808,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 812, 813,
 &end
#
#   50 GLU  HA           50 GLU  QB          3.50    (#    758:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 758, nxpk= 25, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 812, 813,
 &end
#
#   50 GLU  QG           50 GLU  QB          2.80    (#    759:25  Unique         2.42, 2.77 A)
 &rst
  ixpk= 759, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 815, 816,
 igr2= 812, 813,
 &end
#
#    0 AMB  25-3:760     50 GLU  QB          3.50    (#    760:25  Single Ambig)
 &rst
  ixpk= 760, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 igr2= 812, 813,
 &end
#
#   61 LYS  HN           61 LYS  QD          4.50    (#    762:25  Unique         4.65, 4.82 A)
 &rst
  ixpk= 762, nxpk= 25, iat= 971,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 981, 982,
 &end
#
#   58 GLU  HA           61 LYS  QD          4.50    (#    763:25  Unique         2.80, 3.60 A)
 &rst
  ixpk= 763, nxpk= 25, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 981, 982,
 &end
#
#   61 LYS  HA           61 LYS  QD          4.50    (#    764:25  Unique         4.76, 5.17 A)
 &rst
  ixpk= 764, nxpk= 25, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 981, 982,
 &end
#
#   27 LYS  HE-          27 LYS  QD          2.80    (#    765:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 765, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 447, 448,
 igr2= 444, 445,
 &end
#
#    0 AMB  25-3:766      0 AMB  25-1:766    2.80    (#    766:25  Double Ambig)
 &rst
  ixpk= 766, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 438, 439, 975, 976,
 igr2= 444, 445, 981, 982,
 &end
#
#   61 LYS  QG           61 LYS  QD          2.80    (#    767:25  Unique         2.39, 2.60 A)
 &rst
  ixpk= 767, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 978, 979,
 igr2= 981, 982,
 &end
#
#    0 AMB  25-3:768     61 LYS  QD          3.50    (#    768:25  Single Ambig)
 &rst
  ixpk= 768, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 920, 921, 922, 924, 925, 926,1098,1099,1100,1102,
      1103,1104,1098,1099,1100,1102,1103,1104,1144,1145,
      
 igr2= 981, 982,
 &end
#
#   27 LYS  HE+          27 LYS  QD          4.50    (#    769:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 769, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 447, 448,
 igr2= 444, 445,
 &end
#
#   35 LYS  HB3          35 LYS  HD+         3.50    (#    770:25  Unique         2.52, 3.37 A)
 &rst
  ixpk= 770, nxpk= 25, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 588, 589,
 &end
#
#   89 VAL  QG+          35 LYS  HD+         5.50    (#    771:25  Unique         3.44, 5.75 A)
 &rst
  ixpk= 771, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1410,1411,1412,1414,1415,1416,
 igr2= 588, 589,
 &end
#
#   57 VAL  HN           57 VAL  HA          3.50    (#    773:25  Unique         2.82, 2.84 A)
 &rst
  ixpk= 773, nxpk= 25, iat= 914, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 ILE  QD1          57 VAL  HA          5.50    (#    774:25  Unique         3.54, 4.13 A)
 &rst
  ixpk= 774, nxpk= 25, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 115, 116, 117,
 &end
#
#   57 VAL  QG-          57 VAL  HA          3.50    (#    775:25  Unique         2.38, 3.15 A)
 &rst
  ixpk= 775, nxpk= 25, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#   60 VAL  QG2          57 VAL  HA          3.50    (#    776:25  Unique         3.05, 3.86 A)
 &rst
  ixpk= 776, nxpk= 25, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 965, 966, 967,
 &end
#
#    0 AMB  25-3:777      0 AMB  25-1:777    4.50    (#    777:25  Double Ambig)
 &rst
  ixpk= 777, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 582, 621, 622,
 igr2= 588, 589, 588, 589,
 &end
#
#   35 LYS  HE-          35 LYS  HD+         5.50    (#    778:25  Unique         2.35, 2.77 A)
 &rst
  ixpk= 778, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 591, 592,
 igr2= 588, 589,
 &end
#
#   35 LYS  HE+          35 LYS  HD+         4.50    (#    779:25  Unique         2.35, 2.77 A)
 &rst
  ixpk= 779, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 591, 592,
 igr2= 588, 589,
 &end
#
#    0 AMB  25-3:780      0 AMB  25-1:780    3.50    (#    780:25  Double Ambig)
 &rst
  ixpk= 780, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 585, 586, 621, 622,
 igr2= 588, 589, 588, 589,
 &end
#
#    0 AMB  25-3:782     35 LYS  HD-         4.50    (#    782:25  Single Ambig)
 &rst
  ixpk= 782, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 582, 621, 622,
 igr2= 588, 589,
 &end
#
#    0 AMB  25-3:783     35 LYS  HD-         3.50    (#    783:25  Single Ambig)
 &rst
  ixpk= 783, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 585, 586, 621, 622,
 igr2= 588, 589,
 &end
#
#   35 LYS  HB3          35 LYS  HD-         2.80    (#    784:25  Unique         2.52, 3.37 A)
 &rst
  ixpk= 784, nxpk= 25, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 588, 589,
 &end
#
#   15 VAL  QG+          67 SER  QB          5.50    (#    787:25  Unique         2.97, 5.23 A)
 &rst
  ixpk= 787, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 245, 246, 247, 249, 250, 251,
 igr2=1063,1064,
 &end
#
#   58 GLU  HN           57 VAL  HA          4.50    (#    790:25  Unique         3.60, 3.62 A)
 &rst
  ixpk= 790, nxpk= 25, iat= 930, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 VAL  HB           57 VAL  HA          3.50    (#    792:25  Unique         2.14, 2.21 A)
 &rst
  ixpk= 792, nxpk= 25, iat= 959, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 VAL  QG+          57 VAL  HA          3.50    (#    793:25  Unique         2.38, 3.15 A)
 &rst
  ixpk= 793, nxpk= 25, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#   60 VAL  QG1          57 VAL  HA          5.50    (#    794:25  Unique         3.87, 4.45 A)
 &rst
  ixpk= 794, nxpk= 25, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 961, 962, 963,
 &end
#
#   60 VAL  HN           57 VAL  HA          3.50    (#    795:25  Unique         2.92, 3.12 A)
 &rst
  ixpk= 795, nxpk= 25, iat= 955, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 VAL  HB           57 VAL  HA          4.50    (#    796:25  Unique         3.04, 3.05 A)
 &rst
  ixpk= 796, nxpk= 25, iat= 918, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 LYS  HE-          35 LYS  HD-         5.50    (#    797:25  Unique         2.35, 2.77 A)
 &rst
  ixpk= 797, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 591, 592,
 igr2= 588, 589,
 &end
#
#   89 VAL  QG+          35 LYS  HD-         5.50    (#    798:25  Unique         3.44, 5.75 A)
 &rst
  ixpk= 798, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1410,1411,1412,1414,1415,1416,
 igr2= 588, 589,
 &end
#
#   68 LYS  HN           67 SER  QB          3.50    (#    799:25  Unique         2.36, 2.99 A)
 &rst
  ixpk= 799, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1063,1064,
 &end
#
#   67 SER  HN           67 SER  QB          3.50    (#    800:25  Unique         2.43, 3.03 A)
 &rst
  ixpk= 800, nxpk= 25, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1063,1064,
 &end
#
#   17 PHE  QD           67 SER  QB          4.50    (#    801:25  Unique         2.45, 5.02 A)
 &rst
  ixpk= 801, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 270, 278,
 igr2=1063,1064,
 &end
#
#   67 SER  HA           67 SER  QB          2.80    (#    802:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 802, nxpk= 25, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1063,1064,
 &end
#
#    0 AMB  25-3:803     67 SER  QB          5.50    (#    803:25  Single Ambig)
 &rst
  ixpk= 803, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 igr2=1063,1064,
 &end
#
#    0 AMB  25-3:804     67 SER  QB          3.50    (#    804:25  Single Ambig)
 &rst
  ixpk= 804, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 205, 206, 207, 209, 210, 211, 245, 246, 247, 249,
       250, 251,
 igr2=1063,1064,
 &end
#
#   12 VAL  QG+          67 SER  QB          4.50    (#    805:25  Unique         2.59, 5.86 A)
 &rst
  ixpk= 805, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 205, 206, 207, 209, 210, 211,
 igr2=1063,1064,
 &end
#
#   65 PRO  HD+          67 SER  QB          5.50    (#    806:25  Unique         6.10, 7.16 A)
 &rst
  ixpk= 806, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1026,1027,
 igr2=1063,1064,
 &end
#
#   58 GLU  HN           58 GLU  QB          2.80    (#    807:25  Unique         2.41, 3.08 A)
 &rst
  ixpk= 807, nxpk= 25, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 934, 935,
 &end
#
#   59 ALA  HN           58 GLU  QB          2.80    (#    809:25  Unique         2.78, 3.33 A)
 &rst
  ixpk= 809, nxpk= 25, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 934, 935,
 &end
#
#   55 SER  HA           58 GLU  QB          3.50    (#    810:25  Unique         2.35, 3.31 A)
 &rst
  ixpk= 810, nxpk= 25, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 934, 935,
 &end
#
#   58 GLU  HA           58 GLU  QB          2.80    (#    812:25  Unique         2.45, 2.76 A)
 &rst
  ixpk= 812, nxpk= 25, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 934, 935,
 &end
#
#    0 AMB  25-3:813     58 GLU  QB          2.80    (#    813:25  Single Ambig)
 &rst
  ixpk= 813, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 937, 938, 937, 938,
 igr2= 934, 935,
 &end
#
#    0 AMB  25-3:814     58 GLU  QB          5.50    (#    814:25  Single Ambig)
 &rst
  ixpk= 814, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 978, 979, 949, 950, 951,
 igr2= 934, 935,
 &end
#
#   68 LYS  HG-          11 ARG  HB+         5.50    (#    815:25  Unique         3.39, 5.17 A)
 &rst
  ixpk= 815, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1077,1078,
 igr2= 179, 180,
 &end
#
#   88 ILE  QD1          18 ARG  HB-         4.50    (#    817:25  Unique         2.32, 4.52 A)
 &rst
  ixpk= 817, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1398,1399,1400,
 igr2= 286, 287,
 &end
#
#   68 LYS  HA           68 LYS  QD          5.50    (#    818:25  Unique         2.25, 4.15 A)
 &rst
  ixpk= 818, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1080,1081,
 &end
#
#   21 VAL  HB           21 VAL  HA          4.50    (#    822:25  Unique         3.04, 3.05 A)
 &rst
  ixpk= 822, nxpk= 25, iat= 351, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 VAL  HN           21 VAL  HA          3.50    (#    823:25  Unique         2.83, 2.84 A)
 &rst
  ixpk= 823, nxpk= 25, iat= 347, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 GLU  HN           21 VAL  HA          5.50    (#    824:25  Unique         3.36, 3.46 A)
 &rst
  ixpk= 824, nxpk= 25, iat= 397, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 GLU  HB2          21 VAL  HA          5.50    (#    826:25  Unique         2.39, 2.63 A)
 &rst
  ixpk= 826, nxpk= 25, iat= 401, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 GLU  HG-          21 VAL  HA          5.50    (#    827:25  Unique         3.14, 3.80 A)
 &rst
  ixpk= 827, nxpk= 25, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 404, 405,
 &end
#
#   21 VAL  QG+          21 VAL  HA          3.50    (#    828:25  Unique         2.31, 3.15 A)
 &rst
  ixpk= 828, nxpk= 25, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#   21 VAL  QG-          21 VAL  HA          3.50    (#    829:25  Unique         2.31, 3.15 A)
 &rst
  ixpk= 829, nxpk= 25, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#   22 GLN  HN           21 VAL  HA          5.50    (#    830:25  Unique         3.60, 3.61 A)
 &rst
  ixpk= 830, nxpk= 25, iat= 363, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 VAL  QG2          21 VAL  HA          5.50    (#    831:25  Unique         3.47, 4.49 A)
 &rst
  ixpk= 831, nxpk= 25, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 965, 966, 967,
 &end
#
#   29 LYS  QG           29 LYS  QB          2.80    (#    832:25  Unique         2.26, 2.73 A)
 &rst
  ixpk= 832, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 487, 488,
 igr2= 484, 485,
 &end
#
#   11 ARG  HD+          11 ARG  HB+         5.50    (#    833:25  Unique         2.33, 3.33 A)
 &rst
  ixpk= 833, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 185, 186,
 igr2= 179, 180,
 &end
#
#    0 AMB  25-3:834      0 AMB  25-1:834    4.50    (#    834:25  Double Ambig)
 &rst
  ixpk= 834, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 177,1061,
 igr2= 179, 180, 179, 180,
 &end
#
#   11 ARG  HG+          11 ARG  HB+         4.50    (#    836:25  Unique         2.28, 2.71 A)
 &rst
  ixpk= 836, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 182, 183,
 igr2= 179, 180,
 &end
#
#   11 ARG  HN           11 ARG  HB-         4.50    (#    837:25  Unique         2.28, 2.62 A)
 &rst
  ixpk= 837, nxpk= 25, iat= 175,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 179, 180,
 &end
#
#    0 AMB  25-3:838     11 ARG  HB-         3.50    (#    838:25  Single Ambig)
 &rst
  ixpk= 838, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 177,1061,
 igr2= 179, 180,
 &end
#
#   18 ARG  HA           18 ARG  HB-         4.50    (#    842:25  Unique         2.38, 2.75 A)
 &rst
  ixpk= 842, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 286, 287,
 &end
#
#   88 ILE  QG2          18 ARG  HB-         4.50    (#    844:25  Unique         2.28, 3.57 A)
 &rst
  ixpk= 844, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1391,1392,1393,
 igr2= 286, 287,
 &end
#
#   70 THR  QG2          68 LYS  QD          2.80    (#    845:25  Unique         2.83, 5.39 A)
 &rst
  ixpk= 845, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1114,1115,1116,
 igr2=1080,1081,
 &end
#
#   68 LYS  QE           68 LYS  QD          2.80    (#    846:25  Unique         2.38, 2.71 A)
 &rst
  ixpk= 846, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1083,1084,
 igr2=1080,1081,
 &end
#
#   68 LYS  HG+          68 LYS  QD          2.80    (#    847:25  Unique         2.39, 2.73 A)
 &rst
  ixpk= 847, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1077,1078,
 igr2=1080,1081,
 &end
#
#   68 LYS  HG-          68 LYS  QD          2.80    (#    848:25  Unique         2.39, 2.73 A)
 &rst
  ixpk= 848, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1077,1078,
 igr2=1080,1081,
 &end
#
#   80 LEU  QD-          80 LEU  HG          3.50    (#    853:25  Unique         2.37, 2.66 A)
 &rst
  ixpk= 853, nxpk= 25, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1264,1265,1266,1268,1269,1270,
 &end
#
#    0 AMB  25-3:855     41 ARG  HG-         5.50    (#    855:25  Single Ambig)
 &rst
  ixpk= 855, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 156, 168,
 igr2= 676, 677,
 &end
#
#   25 ALA  HN           21 VAL  HA          5.50    (#    856:25  Unique         3.92, 4.09 A)
 &rst
  ixpk= 856, nxpk= 25, iat= 412, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:857      0 AMB  25-1:857    4.50    (#    857:25  Double Ambig)
 &rst
  ixpk= 857, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 502, 327,
 igr2= 463, 464, 484, 485, 368,
 &end
#
#   29 LYS  HA           29 LYS  QB          2.80    (#    858:25  Unique         2.42, 2.75 A)
 &rst
  ixpk= 858, nxpk= 25, iat= 482,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 484, 485,
 &end
#
#   29 LYS  HN            0 AMB  25-1:859    5.50    (#    859:25  Single Ambig)
 &rst
  ixpk= 859, nxpk= 25, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 484, 485, 463, 464,
 &end
#
#   68 LYS  HN           11 ARG  HB+         3.50    (#    860:25  Unique         2.18, 3.24 A)
 &rst
  ixpk= 860, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 179, 180,
 &end
#
#   11 ARG  HN           11 ARG  HB+         3.50    (#    861:25  Unique         2.28, 2.62 A)
 &rst
  ixpk= 861, nxpk= 25, iat= 175,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 179, 180,
 &end
#
#   80 LEU  HN           80 LEU  HG          5.50    (#    865:25  Unique         2.16, 4.21 A)
 &rst
  ixpk= 865, nxpk= 25, iat=1255,1262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 ARG  HN           41 ARG  HG-         4.50    (#    867:25  Unique         2.43, 3.91 A)
 &rst
  ixpk= 867, nxpk= 25, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 676, 677,
 &end
#
#   60 VAL  HN           60 VAL  HA          2.80    (#    868:25  Unique         2.82, 2.82 A)
 &rst
  ixpk= 868, nxpk= 25, iat= 955, 957, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   60 VAL  HB           60 VAL  HA          4.50    (#    870:25  Unique         3.02, 3.03 A)
 &rst
  ixpk= 870, nxpk= 25, iat= 959, 957, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 VAL  QG1          60 VAL  HA          3.50    (#    871:25  Unique         2.77, 3.37 A)
 &rst
  ixpk= 871, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 961, 962, 963,
 &end
#
#   60 VAL  QG2          60 VAL  HA          3.50    (#    872:25  Unique         2.46, 3.01 A)
 &rst
  ixpk= 872, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 965, 966, 967,
 &end
#
#   22 GLN  HA           22 GLN  HB2         5.50    (#    873:25  Unique         2.29, 2.31 A)
 &rst
  ixpk= 873, nxpk= 25, iat= 365, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:874      0 AMB  25-1:874    5.50    (#    874:25  Double Ambig)
 &rst
  ixpk= 874, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 308, 458,
 igr2= 368, 463, 464,
 &end
#
#   41 ARG  HN           41 ARG  HG+         4.50    (#    876:25  Unique         2.43, 3.91 A)
 &rst
  ixpk= 876, nxpk= 25, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 676, 677,
 &end
#
#   41 ARG  HA           41 ARG  HG+         4.50    (#    877:25  Unique         2.27, 3.11 A)
 &rst
  ixpk= 877, nxpk= 25, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 676, 677,
 &end
#
#    9 ASP  HA           41 ARG  HG+         4.50    (#    878:25  Unique         2.23, 3.54 A)
 &rst
  ixpk= 878, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 676, 677,
 &end
#
#   41 ARG  HA           41 ARG  HG-         4.50    (#    879:25  Unique         2.27, 3.11 A)
 &rst
  ixpk= 879, nxpk= 25, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 676, 677,
 &end
#
#   41 ARG  QD           41 ARG  HG-         3.50    (#    880:25  Unique         2.25, 2.69 A)
 &rst
  ixpk= 880, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 679, 680,
 igr2= 676, 677,
 &end
#
#   17 PHE  HZ           60 VAL  HA          3.50    (#    883:25  Unique         3.08, 3.46 A)
 &rst
  ixpk= 883, nxpk= 25, iat= 274, 957, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLN  HN           22 GLN  HB2         2.80    (#    884:25  Unique         2.65, 2.68 A)
 &rst
  ixpk= 884, nxpk= 25, iat= 363, 367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   19 TYR  HA           22 GLN  HB2         4.50    (#    886:25  Unique         3.66, 3.73 A)
 &rst
  ixpk= 886, nxpk= 25, iat= 308, 367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLN  HA           22 GLN  HB3         4.50    (#    889:25  Unique         3.01, 3.02 A)
 &rst
  ixpk= 889, nxpk= 25, iat= 365, 368, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88 ILE  QD1          22 GLN  HB3         5.50    (#    890:25  Unique         2.36, 3.51 A)
 &rst
  ixpk= 890, nxpk= 25, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1398,1399,1400,
 &end
#
#   22 GLN  HN           22 GLN  HB3         3.50    (#    891:25  Unique         2.22, 2.24 A)
 &rst
  ixpk= 891, nxpk= 25, iat= 363, 368, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   72 ILE  HB           72 ILE  HG1+        2.80    (#    893:25  Unique         2.41, 2.76 A)
 &rst
  ixpk= 893, nxpk= 25, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1144,1145,
 &end
#
#   72 ILE  HA           72 ILE  HG1+        3.50    (#    894:25  Unique         2.27, 2.84 A)
 &rst
  ixpk= 894, nxpk= 25, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1144,1145,
 &end
#
#   43 GLU  HB-           5 ARG  HG+         4.50    (#    895:25  Unique         5.21, 6.11 A)
 &rst
  ixpk= 895, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 713, 714,
 igr2=  85,  86,
 &end
#
#   73 SER  HN           72 ILE  HG1-        4.50    (#    896:25  Unique         2.34, 2.71 A)
 &rst
  ixpk= 896, nxpk= 25, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1144,1145,
 &end
#
#   72 ILE  HA           72 ILE  HG1-        4.50    (#    897:25  Unique         2.27, 2.84 A)
 &rst
  ixpk= 897, nxpk= 25, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1144,1145,
 &end
#
#    5 ARG  HD+           5 ARG  HG-         4.50    (#    903:25  Unique         2.35, 2.70 A)
 &rst
  ixpk= 903, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  88,  89,
 igr2=  85,  86,
 &end
#
#    0 AMB  25-3:905      0 AMB  25-1:905    4.50    (#    905:25  Double Ambig)
 &rst
  ixpk= 905, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 745, 142,
 igr2=  85,  86, 676, 677,
 &end
#
#   73 SER  HN           72 ILE  HG1+        4.50    (#    906:25  Unique         2.34, 2.71 A)
 &rst
  ixpk= 906, nxpk= 25, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1144,1145,
 &end
#
#    8 VAL  QG+          72 ILE  HG1+        5.50    (#    907:25  Unique         2.27, 4.68 A)
 &rst
  ixpk= 907, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 146, 147, 148, 150, 151, 152,
 igr2=1144,1145,
 &end
#
#    0 AMB  25-3:909      0 AMB  25-1:909    2.80    (#    909:25  Double Ambig)
 &rst
  ixpk= 909, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1147,1148,1149,1170,1171,1172,1174,1175,1176,
 igr2=1144,1145,1144,1145,
 &end
#
#   45 LEU  QD-           5 ARG  HG+         4.50    (#    910:25  Unique         2.67, 5.28 A)
 &rst
  ixpk= 910, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2=  85,  86,
 &end
#
#    5 ARG  HA            5 ARG  HG+         4.50    (#    911:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 911, nxpk= 25, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  85,  86,
 &end
#
#    5 ARG  HD-           5 ARG  HG+         3.50    (#    913:25  Unique         2.35, 2.70 A)
 &rst
  ixpk= 913, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  88,  89,
 igr2=  85,  86,
 &end
#
#    0 AMB  25-3:914     44 ILE  QG1         2.80    (#    914:25  Single Ambig)
 &rst
  ixpk= 914, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 353, 354, 355, 357, 358, 359, 737, 738, 739,
 igr2= 734, 735,
 &end
#
#   72 ILE  HB           72 ILE  HG1-        3.50    (#    915:25  Unique         2.41, 2.76 A)
 &rst
  ixpk= 915, nxpk= 25, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1144,1145,
 &end
#
#    0 AMB  25-3:917     72 ILE  HG1-        2.80    (#    917:25  Single Ambig)
 &rst
  ixpk= 917, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1147,1148,1149,1170,1171,1172,1174,1175,1176,
 igr2=1144,1145,
 &end
#
#   51 ASN  HA           54 GLN  HB3         4.50    (#    921:25  Unique         4.51, 4.56 A)
 &rst
  ixpk= 921, nxpk= 25, iat= 825, 871, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 GLN  HN           54 GLN  HB3         4.50    (#    922:25  Unique         3.50, 3.53 A)
 &rst
  ixpk= 922, nxpk= 25, iat= 866, 871, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 GLN  HA           54 GLN  HB3         3.50    (#    923:25  Unique         2.58, 2.64 A)
 &rst
  ixpk= 923, nxpk= 25, iat= 868, 871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 GLN  HG-          54 GLN  HB3         2.80    (#    924:25  Unique         2.44, 2.77 A)
 &rst
  ixpk= 924, nxpk= 25, iat=  -1, 871, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 873, 874,
 &end
#
#   54 GLN  HG+          54 GLN  HB3         3.50    (#    925:25  Unique         2.44, 2.77 A)
 &rst
  ixpk= 925, nxpk= 25, iat=  -1, 871, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 873, 874,
 &end
#
#   54 GLN  HN           54 GLN  HB2         3.50    (#    927:25  Unique         2.22, 2.28 A)
 &rst
  ixpk= 927, nxpk= 25, iat= 866, 870, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 SER  HN           54 GLN  HB2         4.50    (#    928:25  Unique         2.49, 2.66 A)
 &rst
  ixpk= 928, nxpk= 25, iat= 883, 870, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 GLN  HA           54 GLN  HB2         4.50    (#    929:25  Unique         3.00, 3.04 A)
 &rst
  ixpk= 929, nxpk= 25, iat= 868, 870, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 GLN  HG-          54 GLN  HB2         2.80    (#    930:25  Unique         2.40, 2.47 A)
 &rst
  ixpk= 930, nxpk= 25, iat=  -1, 870, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 873, 874,
 &end
#
#   78 ARG  HA           78 ARG  HG+         3.50    (#    931:25  Unique         2.20, 3.03 A)
 &rst
  ixpk= 931, nxpk= 25, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1227,1228,
 &end
#
#   78 ARG  QD           78 ARG  HG+         3.50    (#    932:25  Unique         2.26, 2.70 A)
 &rst
  ixpk= 932, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1230,1231,
 igr2=1227,1228,
 &end
#
#   78 ARG  HB+          78 ARG  HG-         2.80    (#    934:25  Unique         2.35, 2.75 A)
 &rst
  ixpk= 934, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1224,1225,
 igr2=1227,1228,
 &end
#
#   78 ARG  HA           78 ARG  HG-         3.50    (#    935:25  Unique         2.20, 3.03 A)
 &rst
  ixpk= 935, nxpk= 25, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1227,1228,
 &end
#
#   78 ARG  QD           78 ARG  HG-         3.50    (#    936:25  Unique         2.26, 2.70 A)
 &rst
  ixpk= 936, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1230,1231,
 igr2=1227,1228,
 &end
#
#    0 AMB  25-3:937     78 ARG  HG-         3.50    (#    937:25  Single Ambig)
 &rst
  ixpk= 937, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 igr2=1227,1228,
 &end
#
#   43 GLU  HG+           5 ARG  HG-         5.50    (#    938:25  Unique         2.81, 3.79 A)
 &rst
  ixpk= 938, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 716, 717,
 igr2=  85,  86,
 &end
#
#    6 ILE  HN            5 ARG  HG-         5.50    (#    939:25  Unique         2.50, 3.18 A)
 &rst
  ixpk= 939, nxpk= 25, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  85,  86,
 &end
#
#    5 ARG  HN            5 ARG  HG-         4.50    (#    940:25  Unique         4.43, 4.67 A)
 &rst
  ixpk= 940, nxpk= 25, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  85,  86,
 &end
#
#    5 ARG  HD-           5 ARG  HG-         4.50    (#    941:25  Unique         2.35, 2.70 A)
 &rst
  ixpk= 941, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  88,  89,
 igr2=  85,  86,
 &end
#
#    5 ARG  HD+           5 ARG  HG+         4.50    (#    943:25  Unique         2.35, 2.70 A)
 &rst
  ixpk= 943, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  88,  89,
 igr2=  85,  86,
 &end
#
#   44 ILE  HA           44 ILE  QG1         5.50    (#    944:25  Unique         2.63, 3.24 A)
 &rst
  ixpk= 944, nxpk= 25, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 734, 735,
 &end
#
#    0 AMB  25-3:946      0 AMB  25-1:946    4.50    (#    946:25  Double Ambig)
 &rst
  ixpk= 946, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 724, 578,
 igr2= 734, 735, 131, 132,
 &end
#
#   55 SER  HN           54 GLN  HB3         3.50    (#    948:25  Unique         3.11, 3.30 A)
 &rst
  ixpk= 948, nxpk= 25, iat= 883, 871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 GLN  HG+          54 GLN  HB2         4.50    (#    949:25  Unique         2.40, 2.47 A)
 &rst
  ixpk= 949, nxpk= 25, iat=  -1, 870, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 873, 874,
 &end
#
#   49 PRO  HA           49 PRO  HG-         4.50    (#    950:25  Unique         3.86, 3.98 A)
 &rst
  ixpk= 950, nxpk= 25, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 798, 799,
 &end
#
#    5 ARG  HA            5 ARG  HG-         3.50    (#    951:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 951, nxpk= 25, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  85,  86,
 &end
#
#   49 PRO  HD+          49 PRO  HG+         3.50    (#    953:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 953, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 795, 796,
 igr2= 798, 799,
 &end
#
#   49 PRO  HD-          49 PRO  HG+         3.50    (#    954:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 954, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 795, 796,
 igr2= 798, 799,
 &end
#
#   52 ALA  QB           49 PRO  HG+         4.50    (#    956:25  Unique         2.24, 3.58 A)
 &rst
  ixpk= 956, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 841, 842, 843,
 igr2= 798, 799,
 &end
#
#   49 PRO  HA           49 PRO  HG-         4.50    (#    957:25  Unique         3.86, 3.98 A)
 &rst
  ixpk= 957, nxpk= 25, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 798, 799,
 &end
#
#   52 ALA  QB           49 PRO  HG-         4.50    (#    958:25  Unique         2.24, 3.58 A)
 &rst
  ixpk= 958, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 841, 842, 843,
 igr2= 798, 799,
 &end
#
#   24 GLU  HG-          24 GLU  HB3         3.50    (#    962:25  Unique         2.39, 2.75 A)
 &rst
  ixpk= 962, nxpk= 25, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 404, 405,
 &end
#
#   24 GLU  HN           24 GLU  HB3         5.50    (#    963:25  Unique         3.53, 3.60 A)
 &rst
  ixpk= 963, nxpk= 25, iat= 397, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 LEU  HG            5 ARG  HG-         2.80    (#    964:25  Unique         2.55, 3.54 A)
 &rst
  ixpk= 964, nxpk= 25, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  85,  86,
 &end
#
#    7 ILE  QD1           5 ARG  HG-         2.80    (#    965:25  Unique         2.83, 4.68 A)
 &rst
  ixpk= 965, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 134, 135, 136,
 igr2=  85,  86,
 &end
#
#    3 GLN  HG-          45 LEU  HG          5.50    (#    967:25  Unique         3.40, 4.01 A)
 &rst
  ixpk= 967, nxpk= 25, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  47,  48,
 &end
#
#   46 ALA  HN           45 LEU  HG          4.50    (#    968:25  Unique         3.40, 3.61 A)
 &rst
  ixpk= 968, nxpk= 25, iat= 762, 750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 LEU  QD+          45 LEU  HG          3.50    (#    969:25  Unique         2.34, 2.65 A)
 &rst
  ixpk= 969, nxpk= 25, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 752, 753, 754, 756, 757, 758,
 &end
#
#   45 LEU  HB-          45 LEU  HG          4.50    (#    970:25  Unique         2.45, 2.77 A)
 &rst
  ixpk= 970, nxpk= 25, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 747, 748,
 &end
#
#   45 LEU  HA           45 LEU  HG          3.50    (#    971:25  Unique         2.40, 2.44 A)
 &rst
  ixpk= 971, nxpk= 25, iat= 745, 750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 LEU  HB+          45 LEU  HG          4.50    (#    972:25  Unique         2.45, 2.77 A)
 &rst
  ixpk= 972, nxpk= 25, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 747, 748,
 &end
#
#   43 GLU  HG+          45 LEU  HG          5.50    (#    973:25  Unique         5.56, 6.13 A)
 &rst
  ixpk= 973, nxpk= 25, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 716, 717,
 &end
#
#    0 AMB  25-3:974      7 ILE  HG1-        5.50    (#    974:25  Single Ambig)
 &rst
  ixpk= 974, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 127, 128, 129, 134, 135, 136,
 igr2= 131, 132,
 &end
#
#    7 ILE  HA           44 ILE  QG1         4.50    (#    976:25  Unique         5.42, 6.24 A)
 &rst
  ixpk= 976, nxpk= 25, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 734, 735,
 &end
#
#    5 ARG  HG-          45 LEU  HG          2.80    (#    977:25  Unique         2.55, 3.54 A)
 &rst
  ixpk= 977, nxpk= 25, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  85,  86,
 &end
#
#    6 ILE  HA            6 ILE  HG1-        4.50    (#    978:25  Unique         2.31, 2.69 A)
 &rst
  ixpk= 978, nxpk= 25, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 112, 113,
 &end
#
#   74 VAL  QG+           6 ILE  HG1-        4.50    (#    979:25  Unique         2.17, 4.36 A)
 &rst
  ixpk= 979, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 112, 113,
 &end
#
#    0 AMB  25-3:981     87 SER  HB2         4.50    (#    981:25  Single Ambig)
 &rst
  ixpk= 981, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1385,1404,
 &end
#
#   32 GLY  HA+          87 SER  HB2         5.50    (#    982:25  Unique         5.62, 6.06 A)
 &rst
  ixpk= 982, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 533, 534,
 &end
#
#   87 SER  HA           87 SER  HB2         4.50    (#    983:25  Unique         3.04, 3.05 A)
 &rst
  ixpk= 983, nxpk= 25, iat=1376,1378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87 SER  HN           87 SER  HB2         3.50    (#    985:25  Unique         2.32, 2.38 A)
 &rst
  ixpk= 985, nxpk= 25, iat=1374,1378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:988     87 SER  HB3         3.50    (#    988:25  Single Ambig)
 &rst
  ixpk= 988, nxpk= 25, iat=  -1,1379, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1385,1404,
 &end
#
#   87 SER  HN           87 SER  HB3         4.50    (#    990:25  Unique         3.54, 3.58 A)
 &rst
  ixpk= 990, nxpk= 25, iat=1374,1379, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87 SER  HA           87 SER  HB3         3.50    (#    991:25  Unique         2.40, 2.48 A)
 &rst
  ixpk= 991, nxpk= 25, iat=1376,1379, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 PRO  HD+          49 PRO  HG-         3.50    (#    996:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 996, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 795, 796,
 igr2= 798, 799,
 &end
#
#    0 AMB  25-3:997     49 PRO  HG-         3.50    (#    997:25  Single Ambig)
 &rst
  ixpk= 997, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 795, 796, 466, 467,
 igr2= 798, 799,
 &end
#
#   88 ILE  HN           88 ILE  HG1-        3.50    (#    999:25  Unique         2.42, 3.20 A)
 &rst
  ixpk= 999, nxpk= 25, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1395,1396,
 &end
#
#   34 VAL  QG+          88 ILE  HG1-        4.50    (#   1000:25  Unique         2.63, 4.91 A)
 &rst
  ixpk= 1000, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 568, 569, 570, 572, 573, 574,
 igr2=1395,1396,
 &end
#
#   88 ILE  QD1          88 ILE  HG1-        2.80    (#   1001:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1001, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1398,1399,1400,
 igr2=1395,1396,
 &end
#
#   88 ILE  QG2          88 ILE  HG1-        4.50    (#   1003:25  Unique         2.47, 3.50 A)
 &rst
  ixpk= 1003, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1391,1392,1393,
 igr2=1395,1396,
 &end
#
#    0 AMB  25-3:1004     0 AMB  25-1:1004   4.50    (#   1004:25  Double Ambig)
 &rst
  ixpk= 1004, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 614, 412,
 igr2= 621, 622, 402,
 &end
#
#   24 GLU  HA           24 GLU  HB3         4.50    (#   1005:25  Unique         2.47, 2.54 A)
 &rst
  ixpk= 1005, nxpk= 25, iat= 399, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 TYR  HB3           6 ILE  HG1+        4.50    (#   1006:25  Unique         3.64, 4.11 A)
 &rst
  ixpk= 1006, nxpk= 25, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 112, 113,
 &end
#
#    6 ILE  HN            6 ILE  HG1+        4.50    (#   1007:25  Unique         3.11, 3.63 A)
 &rst
  ixpk= 1007, nxpk= 25, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 112, 113,
 &end
#
#    6 ILE  HA            6 ILE  HG1+        3.50    (#   1008:25  Unique         2.31, 2.69 A)
 &rst
  ixpk= 1008, nxpk= 25, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 112, 113,
 &end
#
#    0 AMB  25-3:1010     0 AMB  25-1:1010   2.80    (#   1010:25  Double Ambig)
 &rst
  ixpk= 1010, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 920, 921, 922, 924, 925, 926,1144,1145, 737, 738,
       739,
 igr2= 112, 113, 112, 113, 112, 113,
 &end
#
#   74 VAL  QG-           6 ILE  HG1+        4.50    (#   1011:25  Unique         2.17, 4.36 A)
 &rst
  ixpk= 1011, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 112, 113,
 &end
#
#   74 VAL  QG+           6 ILE  HG1+        5.50    (#   1012:25  Unique         2.17, 4.36 A)
 &rst
  ixpk= 1012, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 112, 113,
 &end
#
#    6 ILE  HB            6 ILE  HG1+        2.80    (#   1013:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 1013, nxpk= 25, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 112, 113,
 &end
#
#   56 PHE  QD           24 GLU  HB2         5.50    (#   1014:25  Unique         2.94, 5.04 A)
 &rst
  ixpk= 1014, nxpk= 25, iat=  -1, 401, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 902, 910,
 &end
#
#   24 GLU  HG-          24 GLU  HB2         3.50    (#   1015:25  Unique         2.36, 2.45 A)
 &rst
  ixpk= 1015, nxpk= 25, iat=  -1, 401, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 404, 405,
 &end
#
#   24 GLU  HN           24 GLU  HB2         3.50    (#   1016:25  Unique         2.28, 2.42 A)
 &rst
  ixpk= 1016, nxpk= 25, iat= 397, 401, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1019     6 ILE  HG1-        3.50    (#   1019:25  Single Ambig)
 &rst
  ixpk= 1019, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 920, 921, 922, 924, 925, 926,1144,1145, 737, 738,
       739,
 igr2= 112, 113,
 &end
#
#   88 ILE  HN           88 ILE  HG1+        4.50    (#   1020:25  Unique         2.42, 3.20 A)
 &rst
  ixpk= 1020, nxpk= 25, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1395,1396,
 &end
#
#   34 VAL  QG+          88 ILE  HG1+        5.50    (#   1021:25  Unique         2.63, 4.91 A)
 &rst
  ixpk= 1021, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 568, 569, 570, 572, 573, 574,
 igr2=1395,1396,
 &end
#
#   88 ILE  QD1          88 ILE  HG1+        2.80    (#   1022:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1022, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1398,1399,1400,
 igr2=1395,1396,
 &end
#
#   88 ILE  HA           88 ILE  HG1+        5.50    (#   1023:25  Unique         2.67, 2.85 A)
 &rst
  ixpk= 1023, nxpk= 25, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1395,1396,
 &end
#
#   88 ILE  QG2          88 ILE  HG1+        4.50    (#   1024:25  Unique         2.47, 3.50 A)
 &rst
  ixpk= 1024, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1391,1392,1393,
 igr2=1395,1396,
 &end
#
#   88 ILE  HB           88 ILE  HG1+        4.50    (#   1025:25  Unique         2.33, 2.80 A)
 &rst
  ixpk= 1025, nxpk= 25, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1395,1396,
 &end
#
#   65 PRO  HD-          65 PRO  QG          3.50    (#   1028:25  Unique         2.32, 2.61 A)
 &rst
  ixpk= 1028, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1026,1027,
 igr2=1029,1030,
 &end
#
#   65 PRO  HB+          65 PRO  QG          2.80    (#   1029:25  Unique         2.37, 2.63 A)
 &rst
  ixpk= 1029, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1032,1033,
 igr2=1029,1030,
 &end
#
#   65 PRO  HA           65 PRO  QG          3.50    (#   1030:25  Unique         2.83, 3.74 A)
 &rst
  ixpk= 1030, nxpk= 25, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1029,1030,
 &end
#
#   65 PRO  HB-          65 PRO  QG          3.50    (#   1031:25  Unique         2.37, 2.63 A)
 &rst
  ixpk= 1031, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1032,1033,
 igr2=1029,1030,
 &end
#
#   65 PRO  HB+          65 PRO  QG          2.80    (#   1032:25  Unique         2.37, 2.63 A)
 &rst
  ixpk= 1032, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1032,1033,
 igr2=1029,1030,
 &end
#
#   65 PRO  HD+          65 PRO  QG          3.50    (#   1033:25  Unique         2.32, 2.61 A)
 &rst
  ixpk= 1033, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1026,1027,
 igr2=1029,1030,
 &end
#
#   88 ILE  HA           88 ILE  HG1-        4.50    (#   1034:25  Unique         2.67, 2.85 A)
 &rst
  ixpk= 1034, nxpk= 25, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1395,1396,
 &end
#
#   37 ARG  HA           37 ARG  HG+         3.50    (#   1036:25  Unique         2.35, 2.72 A)
 &rst
  ixpk= 1036, nxpk= 25, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 621, 622,
 &end
#
#   37 ARG  HD+          37 ARG  HG+         4.50    (#   1038:25  Unique         2.27, 2.66 A)
 &rst
  ixpk= 1038, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 624, 625,
 igr2= 621, 622,
 &end
#
#   56 PHE  QD           24 GLU  HB3         4.50    (#   1039:25  Unique         2.35, 4.16 A)
 &rst
  ixpk= 1039, nxpk= 25, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 902, 910,
 &end
#
#    0 AMB  25-3:1040     0 AMB  25-1:1040   3.50    (#   1040:25  Double Ambig)
 &rst
  ixpk= 1040, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 412, 614,
 igr2= 401, 621, 622,
 &end
#
#   37 ARG  HB3          37 ARG  HG-         3.50    (#   1041:25  Unique         2.32, 2.73 A)
 &rst
  ixpk= 1041, nxpk= 25, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 621, 622,
 &end
#
#   37 ARG  HB2          37 ARG  HG-         2.80    (#   1042:25  Unique         2.48, 2.80 A)
 &rst
  ixpk= 1042, nxpk= 25, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 621, 622,
 &end
#
#   37 ARG  HA           37 ARG  HG-         5.50    (#   1044:25  Unique         2.35, 2.72 A)
 &rst
  ixpk= 1044, nxpk= 25, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 621, 622,
 &end
#
#   37 ARG  HD+          37 ARG  HG-         4.50    (#   1045:25  Unique         2.27, 2.66 A)
 &rst
  ixpk= 1045, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 624, 625,
 igr2= 621, 622,
 &end
#
#   88 ILE  HB           88 ILE  HG1+        4.50    (#   1047:25  Unique         2.33, 2.80 A)
 &rst
  ixpk= 1047, nxpk= 25, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1395,1396,
 &end
#
#   65 PRO  HD-          65 PRO  HA          5.50    (#   1049:25  Unique         3.38, 3.74 A)
 &rst
  ixpk= 1049, nxpk= 25, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1026,1027,
 &end
#
#   65 PRO  HB-          65 PRO  HA          3.50    (#   1050:25  Unique         2.27, 2.59 A)
 &rst
  ixpk= 1050, nxpk= 25, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1032,1033,
 &end
#
#    3 GLN  HB2          77 SER  HB+         4.50    (#   1051:25  Unique         2.83, 3.72 A)
 &rst
  ixpk= 1051, nxpk= 25, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1213,1214,
 &end
#
#   75 THR  HB           77 SER  HB-         5.50    (#   1052:25  Unique         6.15, 7.24 A)
 &rst
  ixpk= 1052, nxpk= 25, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1213,1214,
 &end
#
#   18 ARG  HA           18 ARG  QG          5.50    (#   1055:25  Unique         2.35, 2.98 A)
 &rst
  ixpk= 1055, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 289, 290,
 &end
#
#   37 ARG  HD-          37 ARG  HG-         4.50    (#   1057:25  Unique         2.27, 2.66 A)
 &rst
  ixpk= 1057, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 624, 625,
 igr2= 621, 622,
 &end
#
#   66 PHE  HN           65 PRO  HA          5.50    (#   1058:25  Unique         3.51, 3.53 A)
 &rst
  ixpk= 1058, nxpk= 25, iat=1039,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 PRO  QG           65 PRO  HA          3.50    (#   1059:25  Unique         2.83, 3.74 A)
 &rst
  ixpk= 1059, nxpk= 25, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1029,1030,
 &end
#
#   65 PRO  HB+          65 PRO  HA          3.50    (#   1061:25  Unique         2.27, 2.59 A)
 &rst
  ixpk= 1061, nxpk= 25, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1032,1033,
 &end
#
#   79 SER  HB2          77 SER  HB+         5.50    (#   1062:25  Unique         2.93, 4.31 A)
 &rst
  ixpk= 1062, nxpk= 25, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1213,1214,
 &end
#
#   77 SER  HN           77 SER  HB+         3.50    (#   1063:25  Unique         2.91, 3.52 A)
 &rst
  ixpk= 1063, nxpk= 25, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1213,1214,
 &end
#
#   79 SER  HN           77 SER  HB+         4.50    (#   1066:25  Unique         2.62, 3.10 A)
 &rst
  ixpk= 1066, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1213,1214,
 &end
#
#   77 SER  HN           77 SER  HB-         3.50    (#   1067:25  Unique         2.91, 3.52 A)
 &rst
  ixpk= 1067, nxpk= 25, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1213,1214,
 &end
#
#   79 SER  HN           77 SER  HB-         4.50    (#   1068:25  Unique         2.62, 3.10 A)
 &rst
  ixpk= 1068, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1213,1214,
 &end
#
#    3 GLN  HB2          77 SER  HB-         4.50    (#   1071:25  Unique         2.83, 3.72 A)
 &rst
  ixpk= 1071, nxpk= 25, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1213,1214,
 &end
#
#    3 GLN  HB3          77 SER  HB-         5.50    (#   1072:25  Unique         2.06, 2.92 A)
 &rst
  ixpk= 1072, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1213,1214,
 &end
#
#   75 THR  HB           77 SER  HB-         5.50    (#   1073:25  Unique         6.15, 7.24 A)
 &rst
  ixpk= 1073, nxpk= 25, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1213,1214,
 &end
#
#    0 AMB  25-3:1076     0 AMB  25-1:1076   3.50    (#   1076:25  Double Ambig)
 &rst
  ixpk= 1076, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 177,1061,
 igr2= 182, 183, 182, 183,
 &end
#
#    0 AMB  25-3:1077     0 AMB  25-1:1077   3.50    (#   1077:25  Double Ambig)
 &rst
  ixpk= 1077, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 292, 293, 185, 186,
 igr2= 289, 290, 182, 183,
 &end
#
#    7 ILE  HN           73 SER  QB          3.50    (#   1082:25  Unique         3.09, 3.87 A)
 &rst
  ixpk= 1082, nxpk= 25, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1157,1158,
 &end
#
#    0 AMB  25-3:1084    11 ARG  HG-         3.50    (#   1084:25  Single Ambig)
 &rst
  ixpk= 1084, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 177,1061,
 igr2= 182, 183,
 &end
#
#   11 ARG  HD+          11 ARG  HG-         3.50    (#   1085:25  Unique         2.32, 2.63 A)
 &rst
  ixpk= 1085, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 185, 186,
 igr2= 182, 183,
 &end
#
#   11 ARG  HB+          11 ARG  HG+         2.80    (#   1087:25  Unique         2.28, 2.71 A)
 &rst
  ixpk= 1087, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 179, 180,
 igr2= 182, 183,
 &end
#
#   73 SER  HN           73 SER  QB          2.80    (#   1089:25  Unique         2.57, 3.20 A)
 &rst
  ixpk= 1089, nxpk= 25, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1157,1158,
 &end
#
#    7 ILE  HB           73 SER  QB          3.50    (#   1091:25  Unique         2.22, 3.16 A)
 &rst
  ixpk= 1091, nxpk= 25, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1157,1158,
 &end
#
#    0 AMB  25-3:1092    73 SER  QB          3.50    (#   1092:25  Single Ambig)
 &rst
  ixpk= 1092, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 134, 135, 136, 127, 128, 129,
 igr2=1157,1158,
 &end
#
#   48 GLY  HN           53 LEU  QD-         2.80    (#   1095:25  Unique         2.41, 3.97 A)
 &rst
  ixpk= 1095, nxpk= 25, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   57 VAL  QG+          53 LEU  QD-         5.50    (#   1097:25  Unique         2.47, 7.87 A)
 &rst
  ixpk= 1097, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 920, 921, 922, 924, 925, 926,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    4 TYR  HN           53 LEU  QD-         4.50    (#   1099:25  Unique         3.00, 4.72 A)
 &rst
  ixpk= 1099, nxpk= 25, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    0 AMB  25-3:1100    53 LEU  QD-         5.50    (#   1100:25  Single Ambig)
 &rst
  ixpk= 1100, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  21, 914,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    0 AMB  25-3:1101    53 LEU  QD-         4.50    (#   1101:25  Single Ambig)
 &rst
  ixpk= 1101, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  40, 894,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   53 LEU  HN           53 LEU  QD-         4.50    (#   1102:25  Unique         3.13, 4.48 A)
 &rst
  ixpk= 1102, nxpk= 25, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    4 TYR  QD           53 LEU  QD-         4.50    (#   1103:25  Unique         2.31, 5.28 A)
 &rst
  ixpk= 1103, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  65,  74,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   56 PHE  QD           53 LEU  QD-         5.50    (#   1104:25  Unique         2.75, 6.88 A)
 &rst
  ixpk= 1104, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 902, 910,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    3 GLN  HA           53 LEU  QD-         4.50    (#   1105:25  Unique         2.61, 4.44 A)
 &rst
  ixpk= 1105, nxpk= 25, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   50 GLU  HA           53 LEU  QD-         3.50    (#   1106:25  Unique         2.27, 4.50 A)
 &rst
  ixpk= 1106, nxpk= 25, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    0 AMB  25-3:1107    53 LEU  QD-         5.50    (#   1107:25  Single Ambig)
 &rst
  ixpk= 1107, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  61, 916,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    0 AMB  25-3:1108    53 LEU  QD-         4.50    (#   1108:25  Single Ambig)
 &rst
  ixpk= 1108, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 815, 816,1201,1202, 798, 799,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    0 AMB  25-3:1109    53 LEU  QD-         5.50    (#   1109:25  Single Ambig)
 &rst
  ixpk= 1109, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=   8,   9, 106,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    2 LEU  HB-          53 LEU  QD-         2.80    (#   1110:25  Unique         2.23, 5.33 A)
 &rst
  ixpk= 1110, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  25,  26,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    0 AMB  25-3:1111    53 LEU  QD-         2.80    (#   1111:25  Single Ambig)
 &rst
  ixpk= 1111, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 854,  30,  31,  32,  34,  35,  36,  30,  31,  32,
        34,  35,  36, 766, 767, 768,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   53 LEU  HB3          53 LEU  QD-         3.50    (#   1112:25  Unique         2.35, 3.17 A)
 &rst
  ixpk= 1112, nxpk= 25, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    0 AMB  25-3:1115    53 LEU  QD-         5.50    (#   1115:25  Single Ambig)
 &rst
  ixpk= 1115, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 812, 813, 798, 799,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   91 SER  HN           91 SER  QB          4.50    (#   1117:25  Unique         2.55, 3.08 A)
 &rst
  ixpk= 1117, nxpk= 25, iat=1441,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1445,1446,
 &end
#
#   91 SER  HA           91 SER  QB          3.50    (#   1118:25  Unique         2.40, 2.73 A)
 &rst
  ixpk= 1118, nxpk= 25, iat=1443,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1445,1446,
 &end
#
#    2 LEU  HG            2 LEU  QD-         3.50    (#   1120:25  Unique         2.37, 2.64 A)
 &rst
  ixpk= 1120, nxpk= 25, iat=  28,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#   50 GLU  QB            2 LEU  QD-         2.80    (#   1121:25  Unique         2.41, 5.02 A)
 &rst
  ixpk= 1121, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 812, 813,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#    2 LEU  HB-           2 LEU  QD-         2.80    (#   1122:25  Unique         2.33, 3.30 A)
 &rst
  ixpk= 1122, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  25,  26,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#   53 LEU  HB3           2 LEU  QD-         5.50    (#   1123:25  Unique         4.21, 7.05 A)
 &rst
  ixpk= 1123, nxpk= 25, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#    3 GLN  HN            2 LEU  QD-         4.50    (#   1124:25  Unique         2.10, 3.91 A)
 &rst
  ixpk= 1124, nxpk= 25, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#    2 LEU  HA            2 LEU  QD-         5.50    (#   1126:25  Unique         2.18, 3.95 A)
 &rst
  ixpk= 1126, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#    0 AMB  25-3:1127     2 LEU  QD-         2.80    (#   1127:25  Single Ambig)
 &rst
  ixpk= 1127, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 815, 816,1224,1225,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#   78 ARG  HG-           2 LEU  QD-         3.50    (#   1128:25  Unique         2.25, 5.65 A)
 &rst
  ixpk= 1128, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1227,1228,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#   85 ARG  HN           85 ARG  HG+         5.50    (#   1130:25  Unique         2.58, 3.80 A)
 &rst
  ixpk= 1130, nxpk= 25, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1337,1338,
 &end
#
#   78 ARG  HA            2 LEU  QD-         5.50    (#   1131:25  Unique         2.21, 4.99 A)
 &rst
  ixpk= 1131, nxpk= 25, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#   50 GLU  HA            2 LEU  QD-         4.50    (#   1132:25  Unique         2.65, 5.21 A)
 &rst
  ixpk= 1132, nxpk= 25, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#   53 LEU  QD-           2 LEU  QD-         4.50    (#   1134:25  Unique         2.35, 7.04 A)
 &rst
  ixpk= 1134, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#   85 ARG  QB           85 ARG  HG+         2.80    (#   1136:25  Unique         2.26, 2.62 A)
 &rst
  ixpk= 1136, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1334,1335,
 igr2=1337,1338,
 &end
#
#   85 ARG  HA           85 ARG  HG+         5.50    (#   1137:25  Unique         2.79, 3.80 A)
 &rst
  ixpk= 1137, nxpk= 25, iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1337,1338,
 &end
#
#   85 ARG  QD           85 ARG  HG+         3.50    (#   1138:25  Unique         2.21, 2.70 A)
 &rst
  ixpk= 1138, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1340,1341,
 igr2=1337,1338,
 &end
#
#   85 ARG  HA           85 ARG  HG-         5.50    (#   1139:25  Unique         2.79, 3.80 A)
 &rst
  ixpk= 1139, nxpk= 25, iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1337,1338,
 &end
#
#   85 ARG  QD           85 ARG  HG-         4.50    (#   1140:25  Unique         2.21, 2.70 A)
 &rst
  ixpk= 1140, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1340,1341,
 igr2=1337,1338,
 &end
#
#   85 ARG  QB           85 ARG  HG-         2.80    (#   1141:25  Unique         2.26, 2.62 A)
 &rst
  ixpk= 1141, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1334,1335,
 igr2=1337,1338,
 &end
#
#   53 LEU  QD+          30 LEU  QD+         3.50    (#   1142:25  Unique         2.35, 5.24 A)
 &rst
  ixpk= 1142, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  HN           30 LEU  HG          5.50    (#   1145:25  Unique         2.25, 2.42 A)
 &rst
  ixpk= 1145, nxpk= 25, iat= 502, 509, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 LEU  QD-          30 LEU  HG          4.50    (#   1146:25  Unique         2.36, 2.66 A)
 &rst
  ixpk= 1146, nxpk= 25, iat=  -1, 509, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  QD+          30 LEU  HG          3.50    (#   1147:25  Unique         2.36, 2.66 A)
 &rst
  ixpk= 1147, nxpk= 25, iat=  -1, 509, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   28 ARG  HB3          30 LEU  QD+         5.50    (#   1148:25  Unique         2.64, 3.84 A)
 &rst
  ixpk= 1148, nxpk= 25, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  HN           30 LEU  QD+         4.50    (#   1149:25  Unique         2.65, 4.33 A)
 &rst
  ixpk= 1149, nxpk= 25, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   56 PHE  QD           30 LEU  QD+         3.50    (#   1150:25  Unique         2.15, 5.61 A)
 &rst
  ixpk= 1150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 902, 910,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  HA           30 LEU  QD+         5.50    (#   1151:25  Unique         2.20, 3.78 A)
 &rst
  ixpk= 1151, nxpk= 25, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#    0 AMB  25-3:1152     0 AMB  25-1:1152   4.50    (#   1152:25  Double Ambig)
 &rst
  ixpk= 1152, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 795, 796, 849,
 igr2= 511, 512, 513, 515, 516, 517, 511, 512, 513, 515,
       516, 517,
 &end
#
#   49 PRO  HD-          30 LEU  QD+         4.50    (#   1153:25  Unique         2.22, 4.65 A)
 &rst
  ixpk= 1153, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 795, 796,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   25 ALA  HA           30 LEU  QD+         3.50    (#   1154:25  Unique         2.09, 4.20 A)
 &rst
  ixpk= 1154, nxpk= 25, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   56 PHE  HB2          30 LEU  QD+         4.50    (#   1155:25  Unique         3.16, 5.28 A)
 &rst
  ixpk= 1155, nxpk= 25, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#    0 AMB  25-3:1156     0 AMB  25-1:1156   5.50    (#   1156:25  Double Ambig)
 &rst
  ixpk= 1156, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 466, 467, 447, 448,
 igr2= 511, 512, 513, 515, 516, 517, 511, 512, 513, 515,
       516, 517,
 &end
#
#   52 ALA  QB           30 LEU  QD+         3.50    (#   1157:25  Unique         2.79, 5.25 A)
 &rst
  ixpk= 1157, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 841, 842, 843,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  HG           30 LEU  QD+         2.80    (#   1158:25  Unique         2.36, 2.66 A)
 &rst
  ixpk= 1158, nxpk= 25, iat= 509,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  HB2          30 LEU  QD+         3.50    (#   1159:25  Unique         2.41, 3.56 A)
 &rst
  ixpk= 1159, nxpk= 25, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  HB3          30 LEU  QD+         3.50    (#   1160:25  Unique         2.37, 3.14 A)
 &rst
  ixpk= 1160, nxpk= 25, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   53 LEU  QD-          53 LEU  HG          4.50    (#   1165:25  Unique         2.31, 2.66 A)
 &rst
  ixpk= 1165, nxpk= 25, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   53 LEU  HN           53 LEU  HG          4.50    (#   1169:25  Unique         2.50, 2.67 A)
 &rst
  ixpk= 1169, nxpk= 25, iat= 847, 854, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  HA           53 LEU  HG          5.50    (#   1170:25  Unique         3.32, 3.39 A)
 &rst
  ixpk= 1170, nxpk= 25, iat= 849, 854, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LEU  HB3          53 LEU  HG          5.50    (#   1171:25  Unique         2.25, 2.95 A)
 &rst
  ixpk= 1171, nxpk= 25, iat= 852, 854, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 TRP  HE1          45 LEU  QD-         3.50    (#   1172:25  Unique         3.79, 5.50 A)
 &rst
  ixpk= 1172, nxpk= 25, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    3 GLN  HE2+         45 LEU  QD-         3.50    (#   1173:25  Unique         3.48, 5.65 A)
 &rst
  ixpk= 1173, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  52,  53,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   33 TRP  HH2          45 LEU  QD-         4.50    (#   1174:25  Unique         3.08, 4.93 A)
 &rst
  ixpk= 1174, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   33 TRP  HD1          45 LEU  QD-         4.50    (#   1175:25  Unique         5.63, 6.74 A)
 &rst
  ixpk= 1175, nxpk= 25, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    5 ARG  HA           45 LEU  QD-         4.50    (#   1176:25  Unique         4.18, 4.93 A)
 &rst
  ixpk= 1176, nxpk= 25, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    5 ARG  HD-          45 LEU  QD-         5.50    (#   1177:25  Unique         2.39, 5.60 A)
 &rst
  ixpk= 1177, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  88,  89,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    0 AMB  25-3:1178    45 LEU  QD-         3.50    (#   1178:25  Single Ambig)
 &rst
  ixpk= 1178, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  47,  48, 533, 534,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    0 AMB  25-3:1179     0 AMB  25-1:1179   4.50    (#   1179:25  Double Ambig)
 &rst
  ixpk= 1179, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1=1281,1282, 716, 717, 716, 717,
 igr2=1264,1265,1266,1268,1269,1270, 752, 753, 754, 756,
       757, 758,
 &end
#
#    0 AMB  25-3:1180    45 LEU  QD-         3.50    (#   1180:25  Single Ambig)
 &rst
  ixpk= 1180, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  47,  48,  82,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   45 LEU  HB+          45 LEU  QD-         3.50    (#   1181:25  Unique         2.29, 3.32 A)
 &rst
  ixpk= 1181, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 747, 748,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   45 LEU  HB-          45 LEU  QD-         3.50    (#   1182:25  Unique         2.29, 3.32 A)
 &rst
  ixpk= 1182, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 747, 748,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   46 ALA  HN           45 LEU  QD-         4.50    (#   1183:25  Unique         2.34, 4.64 A)
 &rst
  ixpk= 1183, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    0 AMB  25-3:1184    45 LEU  QD-         3.50    (#   1184:25  Single Ambig)
 &rst
  ixpk= 1184, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  52,  53,  67,  72,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   45 LEU  HA           45 LEU  QD-         3.50    (#   1185:25  Unique         2.84, 4.13 A)
 &rst
  ixpk= 1185, nxpk= 25, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    0 AMB  25-3:1186     0 AMB  25-1:1186   4.50    (#   1186:25  Double Ambig)
 &rst
  ixpk= 1186, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1281,1282,1281,1282,
 igr2=1264,1265,1266,1268,1269,1270, 752, 753, 754, 756,
       757, 758,
 &end
#
#   61 LYS  HN           61 LYS  QG          4.50    (#   1188:25  Unique         2.21, 2.84 A)
 &rst
  ixpk= 1188, nxpk= 25, iat= 971,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 978, 979,
 &end
#
#   61 LYS  HA           61 LYS  QG          4.50    (#   1189:25  Unique         3.74, 3.76 A)
 &rst
  ixpk= 1189, nxpk= 25, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 978, 979,
 &end
#
#    0 AMB  25-3:1190     0 AMB  25-1:1190   4.50    (#   1190:25  Double Ambig)
 &rst
  ixpk= 1190, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 997, 998, 466, 467,
 igr2= 978, 979, 487, 488,
 &end
#
#   61 LYS  HB+          61 LYS  QG          2.80    (#   1191:25  Unique         2.42, 2.75 A)
 &rst
  ixpk= 1191, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 975, 976,
 igr2= 978, 979,
 &end
#
#    0 AMB  25-3:1192    61 LYS  QG          4.50    (#   1192:25  Single Ambig)
 &rst
  ixpk= 1192, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 920, 921, 922, 924, 925, 926,1098,1099,1100,1102,
      1103,1104,1098,1099,1100,1102,1103,1104,
 igr2= 978, 979,
 &end
#
#   53 LEU  QD+          53 LEU  HG          4.50    (#   1193:25  Unique         2.31, 2.66 A)
 &rst
  ixpk= 1193, nxpk= 25, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#    5 ARG  HD+          45 LEU  QD-         5.50    (#   1194:25  Unique         2.39, 5.60 A)
 &rst
  ixpk= 1194, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  88,  89,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   82 GLY  HN           80 LEU  QD+         4.50    (#   1195:25  Unique         2.66, 6.64 A)
 &rst
  ixpk= 1195, nxpk= 25, iat=1289,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#   45 LEU  HG           45 LEU  QD-         2.80    (#   1197:25  Unique         2.34, 2.65 A)
 &rst
  ixpk= 1197, nxpk= 25, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   27 LYS  HN           27 LYS  QG          4.50    (#   1198:25  Unique         2.25, 3.18 A)
 &rst
  ixpk= 1198, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 441, 442,
 &end
#
#    0 AMB  25-3:1199    27 LYS  QG          4.50    (#   1199:25  Single Ambig)
 &rst
  ixpk= 1199, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 436, 382,
 igr2= 441, 442,
 &end
#
#    0 AMB  25-3:1201     0 AMB  25-1:1201   4.50    (#   1201:25  Double Ambig)
 &rst
  ixpk= 1201, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 493, 494, 984, 985,
 igr2= 487, 488, 978, 979,
 &end
#
#   29 LYS  HN           29 LYS  QG          3.50    (#   1202:25  Unique         2.67, 3.19 A)
 &rst
  ixpk= 1202, nxpk= 25, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 487, 488,
 &end
#
#   29 LYS  HA           29 LYS  QG          3.50    (#   1203:25  Unique         2.39, 2.96 A)
 &rst
  ixpk= 1203, nxpk= 25, iat= 482,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 487, 488,
 &end
#
#   29 LYS  QB           29 LYS  QG          2.80    (#   1204:25  Unique         2.26, 2.73 A)
 &rst
  ixpk= 1204, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 484, 485,
 igr2= 487, 488,
 &end
#
#   53 LEU  QD-           2 LEU  QD+         3.50    (#   1207:25  Unique         2.35, 7.04 A)
 &rst
  ixpk= 1207, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#    3 GLN  HN            2 LEU  QD+         3.50    (#   1208:25  Unique         2.10, 3.91 A)
 &rst
  ixpk= 1208, nxpk= 25, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#    2 LEU  HA            2 LEU  QD+         4.50    (#   1210:25  Unique         2.18, 3.95 A)
 &rst
  ixpk= 1210, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#   78 ARG  HA            2 LEU  QD+         3.50    (#   1211:25  Unique         2.21, 4.99 A)
 &rst
  ixpk= 1211, nxpk= 25, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#   78 ARG  QD            2 LEU  QD+         4.50    (#   1213:25  Unique         2.13, 5.91 A)
 &rst
  ixpk= 1213, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1230,1231,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#    0 AMB  25-3:1214     0 AMB  25-1:1214   2.80    (#   1214:25  Double Ambig)
 &rst
  ixpk= 1214, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 815, 816,1224,1225,
 igr2=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 &end
#
#   50 GLU  QB            2 LEU  QD+         3.50    (#   1215:25  Unique         2.41, 5.02 A)
 &rst
  ixpk= 1215, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 812, 813,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#    0 AMB  25-3:1216     0 AMB  25-1:1216   2.80    (#   1216:25  Double Ambig)
 &rst
  ixpk= 1216, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1227,1228,1224,1225,
 igr2=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 &end
#
#   46 ALA  QB           45 LEU  QD-         4.50    (#   1218:25  Unique         4.77, 7.36 A)
 &rst
  ixpk= 1218, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 766, 767, 768,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    0 AMB  25-3:1219     0 AMB  25-1:1219   3.50    (#   1219:25  Double Ambig)
 &rst
  ixpk= 1219, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 743,1244,  40,
 igr2= 752, 753, 754, 756, 757, 758,1264,1265,1266,1268,
      1269,1270,
 &end
#
#    2 LEU  HA           80 LEU  QD+         3.50    (#   1221:25  Unique         4.72, 8.07 A)
 &rst
  ixpk= 1221, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#    0 AMB  25-3:1222     0 AMB  25-1:1222   5.50    (#   1222:25  Double Ambig)
 &rst
  ixpk= 1222, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
 igr1=1291,1292,1213,1214,1249,
 igr2=1264,1265,1266,1268,1269,1270, 752, 753, 754, 756,
       757, 758,1264,1265,1266,1268,1269,1270,
 &end
#
#   47 GLU  QB            0 AMB  25-1:1223   5.50    (#   1223:25  Single Ambig)
 &rst
  ixpk= 1223, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 776, 777,
 igr2= 752, 753, 754, 756, 757, 758,1264,1265,1266,1268,
      1269,1270,
 &end
#
#    0 AMB  25-3:1224    45 LEU  QD-         4.50    (#   1224:25  Single Ambig)
 &rst
  ixpk= 1224, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  83, 728,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    0 AMB  25-3:1225     0 AMB  25-1:1225   4.50    (#   1225:25  Double Ambig)
 &rst
  ixpk= 1225, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=   8,   9,1227,1228,
 igr2=1264,1265,1266,1268,1269,1270,1264,1265,1266,1268,
      1269,1270,
 &end
#
#   80 LEU  QB           80 LEU  QD+         2.80    (#   1226:25  Unique         2.42, 3.41 A)
 &rst
  ixpk= 1226, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1259,1260,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#   80 LEU  HN           80 LEU  QD+         4.50    (#   1227:25  Unique         2.83, 5.17 A)
 &rst
  ixpk= 1227, nxpk= 25, iat=1255,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#    0 AMB  25-3:1228     0 AMB  25-1:1228   4.50    (#   1228:25  Double Ambig)
 &rst
  ixpk= 1228, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1246,1222,
 igr2=1264,1265,1266,1268,1269,1270,1264,1265,1266,1268,
      1269,1270,
 &end
#
#   80 LEU  HA           80 LEU  QD+         4.50    (#   1229:25  Unique         2.06, 3.65 A)
 &rst
  ixpk= 1229, nxpk= 25, iat=1257,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#    1 MET  HG+          80 LEU  QD+         5.50    (#   1230:25  Unique         3.61, 7.13 A)
 &rst
  ixpk= 1230, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  11,  12,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#    0 AMB  25-3:1231     0 AMB  25-1:1231   5.50    (#   1231:25  Double Ambig)
 &rst
  ixpk= 1231, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 870,1198,1199,
 igr2= 920, 921, 922, 924, 925, 926, 920, 921, 922, 924,
       925, 926,
 &end
#
#    0 AMB  25-3:1232     0 AMB  25-1:1232   5.50    (#   1232:25  Double Ambig)
 &rst
  ixpk= 1232, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 106, 728,
 igr2= 920, 921, 922, 924, 925, 926, 920, 921, 922, 924,
       925, 926,
 &end
#
#   53 LEU  QD+          57 VAL  QG+         5.50    (#   1233:25  Unique         2.47, 7.87 A)
 &rst
  ixpk= 1233, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#    2 LEU  HG            2 LEU  QD+         2.80    (#   1235:25  Unique         2.37, 2.64 A)
 &rst
  ixpk= 1235, nxpk= 25, iat=  28,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#    2 LEU  HN            2 LEU  QD+         5.50    (#   1236:25  Unique         4.76, 5.56 A)
 &rst
  ixpk= 1236, nxpk= 25, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#    2 LEU  HN           80 LEU  QD+         5.50    (#   1237:25  Unique         5.12, 8.37 A)
 &rst
  ixpk= 1237, nxpk= 25, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#   57 VAL  HN           55 SER  HB+         5.50    (#   1238:25  Unique         5.22, 5.56 A)
 &rst
  ixpk= 1238, nxpk= 25, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 887, 888,
 &end
#
#   70 THR  HN           69 VAL  HA          2.80    (#   1239:25  Unique         2.18, 2.24 A)
 &rst
  ixpk= 1239, nxpk= 25, iat=1108,1094, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:1240    69 VAL  HA          2.80    (#   1240:25  Single Ambig)
 &rst
  ixpk= 1240, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#   69 VAL  HN           69 VAL  HA          4.50    (#   1241:25  Unique         2.86, 2.88 A)
 &rst
  ixpk= 1241, nxpk= 25, iat=1092,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 VAL  QG+          69 VAL  HA          4.50    (#   1242:25  Unique         3.50, 5.81 A)
 &rst
  ixpk= 1242, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 146, 147, 148, 150, 151, 152,
 &end
#
#   12 VAL  QG+          69 VAL  HA          4.50    (#   1243:25  Unique         2.44, 4.17 A)
 &rst
  ixpk= 1243, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#    0 AMB  25-3:1245     0 AMB  25-1:1245   3.50    (#   1245:25  Double Ambig)
 &rst
  ixpk= 1245, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1026,1027,1043,1044,
 igr2=1018,1019,1018,1019,
 &end
#
#   79 SER  HN           79 SER  HB2         4.50    (#   1246:25  Unique         2.53, 2.80 A)
 &rst
  ixpk= 1246, nxpk= 25, iat=1244,1248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 SER  HN           79 SER  HB3         4.50    (#   1247:25  Unique         2.77, 3.35 A)
 &rst
  ixpk= 1247, nxpk= 25, iat=1244,1249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 PHE  HB+          64 SER  HB-         5.50    (#   1248:25  Unique         2.16, 3.56 A)
 &rst
  ixpk= 1248, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 331, 332,
 igr2=1018,1019,
 &end
#
#   65 PRO  HD+          64 SER  HB-         4.50    (#   1250:25  Unique         2.21, 3.20 A)
 &rst
  ixpk= 1250, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1026,1027,
 igr2=1018,1019,
 &end
#
#    0 AMB  25-3:1251    64 SER  HB-         4.50    (#   1251:25  Single Ambig)
 &rst
  ixpk= 1251, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1026,1027,1043,1044,
 igr2=1018,1019,
 &end
#
#   17 PHE  HA           64 SER  HB-         5.50    (#   1252:25  Unique         3.52, 4.17 A)
 &rst
  ixpk= 1252, nxpk= 25, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1018,1019,
 &end
#
#   68 LYS  HA           68 LYS  HG+         4.50    (#   1254:25  Unique         2.44, 2.95 A)
 &rst
  ixpk= 1254, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1077,1078,
 &end
#
#   56 PHE  HB3          57 VAL  QG+         5.50    (#   1255:25  Unique         4.02, 6.15 A)
 &rst
  ixpk= 1255, nxpk= 25, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#   57 VAL  HN           57 VAL  QG+         2.80    (#   1256:25  Unique         2.19, 3.85 A)
 &rst
  ixpk= 1256, nxpk= 25, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#    0 AMB  25-3:1257     0 AMB  25-1:1257   4.50    (#   1257:25  Double Ambig)
 &rst
  ixpk= 1257, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 878, 879, 930,
 igr2= 920, 921, 922, 924, 925, 926, 920, 921, 922, 924,
       925, 926,
 &end
#
#    4 TYR  QD           57 VAL  QG+         3.50    (#   1258:25  Unique         2.42, 5.58 A)
 &rst
  ixpk= 1258, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  65,  74,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#   56 PHE  QD           57 VAL  QG+         4.50    (#   1259:25  Unique         5.44, 7.92 A)
 &rst
  ixpk= 1259, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 902, 910,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#   54 GLN  HA           57 VAL  QG+         3.50    (#   1260:25  Unique         2.38, 4.53 A)
 &rst
  ixpk= 1260, nxpk= 25, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#   57 VAL  HA           57 VAL  QG+         2.80    (#   1261:25  Unique         2.38, 3.15 A)
 &rst
  ixpk= 1261, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#   57 VAL  HB           57 VAL  QG+         2.80    (#   1263:25  Unique         2.32, 2.67 A)
 &rst
  ixpk= 1263, nxpk= 25, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#    6 ILE  QD1          57 VAL  QG+         2.80    (#   1264:25  Unique         2.23, 3.56 A)
 &rst
  ixpk= 1264, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 115, 116, 117,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#   74 VAL  QG-          57 VAL  QG+         3.50    (#   1266:25  Unique         2.60, 5.46 A)
 &rst
  ixpk= 1266, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#   74 VAL  QG+          57 VAL  QG+         3.50    (#   1267:25  Unique         2.60, 5.46 A)
 &rst
  ixpk= 1267, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#   22 GLN  HN           21 VAL  QG-         4.50    (#   1268:25  Unique         3.49, 4.62 A)
 &rst
  ixpk= 1268, nxpk= 25, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   17 PHE  HZ           21 VAL  QG-         4.50    (#   1269:25  Unique         3.38, 5.23 A)
 &rst
  ixpk= 1269, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   56 PHE  QD           21 VAL  QG-         5.50    (#   1271:25  Unique         4.45, 7.81 A)
 &rst
  ixpk= 1271, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 902, 910,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   17 PHE  QD           21 VAL  QG-         4.50    (#   1273:25  Unique         2.75, 5.98 A)
 &rst
  ixpk= 1273, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 270, 278,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   21 VAL  HA           21 VAL  QG-         2.80    (#   1274:25  Unique         2.31, 3.15 A)
 &rst
  ixpk= 1274, nxpk= 25, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   21 VAL  HB           21 VAL  QG-         2.80    (#   1275:25  Unique         2.41, 2.67 A)
 &rst
  ixpk= 1275, nxpk= 25, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#    0 AMB  25-3:1276    21 VAL  QG-         2.80    (#   1276:25  Single Ambig)
 &rst
  ixpk= 1276, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 734, 735, 730, 731, 732, 568, 569, 570, 572, 573,
       574,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   60 VAL  QG2          21 VAL  QG-         3.50    (#   1278:25  Unique         2.22, 4.21 A)
 &rst
  ixpk= 1278, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 965, 966, 967,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   33 TRP  HH2          45 LEU  QD+         5.50    (#   1279:25  Unique         3.08, 4.93 A)
 &rst
  ixpk= 1279, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   46 ALA  QB           45 LEU  QD+         5.50    (#   1280:25  Unique         4.77, 7.36 A)
 &rst
  ixpk= 1280, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 766, 767, 768,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   47 GLU  HN           45 LEU  QD+         5.50    (#   1281:25  Unique         4.65, 6.80 A)
 &rst
  ixpk= 1281, nxpk= 25, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   46 ALA  HN           45 LEU  QD+         4.50    (#   1282:25  Unique         2.34, 4.64 A)
 &rst
  ixpk= 1282, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    3 GLN  HE2+         45 LEU  QD+         4.50    (#   1283:25  Unique         3.48, 5.65 A)
 &rst
  ixpk= 1283, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  52,  53,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   33 TRP  HN           45 LEU  QD+         5.50    (#   1284:25  Unique         4.02, 5.60 A)
 &rst
  ixpk= 1284, nxpk= 25, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    0 AMB  25-3:1285     0 AMB  25-1:1285   5.50    (#   1285:25  Double Ambig)
 &rst
  ixpk= 1285, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 743,  40,
 igr2= 752, 753, 754, 756, 757, 758, 752, 753, 754, 756,
       757, 758,
 &end
#
#    0 AMB  25-3:1287     0 AMB  25-1:1287   5.50    (#   1287:25  Double Ambig)
 &rst
  ixpk= 1287, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 764,  42,
 igr2= 752, 753, 754, 756, 757, 758, 752, 753, 754, 756,
       757, 758,
 &end
#
#    5 ARG  HA           45 LEU  QD+         4.50    (#   1288:25  Unique         4.18, 4.93 A)
 &rst
  ixpk= 1288, nxpk= 25, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   32 GLY  HA+          45 LEU  QD+         3.50    (#   1289:25  Unique         2.90, 5.48 A)
 &rst
  ixpk= 1289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 533, 534,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   45 LEU  HA           45 LEU  QD+         3.50    (#   1290:25  Unique         2.84, 4.13 A)
 &rst
  ixpk= 1290, nxpk= 25, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    0 AMB  25-3:1291     0 AMB  25-1:1291   3.50    (#   1291:25  Double Ambig)
 &rst
  ixpk= 1291, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=  47,  48, 533, 534,
 igr2= 752, 753, 754, 756, 757, 758, 752, 753, 754, 756,
       757, 758,
 &end
#
#    0 AMB  25-3:1292     0 AMB  25-1:1292   4.50    (#   1292:25  Double Ambig)
 &rst
  ixpk= 1292, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
 igr1= 716, 717, 716, 717,1281,1282,
 igr2= 752, 753, 754, 756, 757, 758, 752, 753, 754, 756,
       757, 758, 752, 753, 754, 756, 757, 758,
 &end
#
#    0 AMB  25-3:1293     0 AMB  25-1:1293   4.50    (#   1293:25  Double Ambig)
 &rst
  ixpk= 1293, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=  44,1281,1282,
 igr2= 752, 753, 754, 756, 757, 758, 752, 753, 754, 756,
       757, 758,
 &end
#
#    0 AMB  25-3:1295     0 AMB  25-1:1295   4.50    (#   1295:25  Double Ambig)
 &rst
  ixpk= 1295, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=  83, 728,
 igr2= 752, 753, 754, 756, 757, 758, 752, 753, 754, 756,
       757, 758,
 &end
#
#    0 AMB  25-3:1296     0 AMB  25-1:1296   3.50    (#   1296:25  Double Ambig)
 &rst
  ixpk= 1296, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  47,  48,  82,
 igr2= 752, 753, 754, 756, 757, 758, 752, 753, 754, 756,
       757, 758,
 &end
#
#    5 ARG  HG-          45 LEU  QD+         4.50    (#   1297:25  Unique         2.67, 5.28 A)
 &rst
  ixpk= 1297, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  85,  86,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    5 ARG  HG+          45 LEU  QD+         5.50    (#   1298:25  Unique         2.67, 5.28 A)
 &rst
  ixpk= 1298, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  85,  86,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    0 AMB  25-3:1299     0 AMB  25-1:1299   4.50    (#   1299:25  Double Ambig)
 &rst
  ixpk= 1299, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 588, 589,1186,1187,1188,
 igr2= 752, 753, 754, 756, 757, 758, 752, 753, 754, 756,
       757, 758,
 &end
#
#   45 LEU  HG           45 LEU  QD+         2.80    (#   1300:25  Unique         2.34, 2.65 A)
 &rst
  ixpk= 1300, nxpk= 25, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   45 LEU  HB+          45 LEU  QD+         3.50    (#   1301:25  Unique         2.29, 3.32 A)
 &rst
  ixpk= 1301, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 747, 748,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   45 LEU  HB-          45 LEU  QD+         3.50    (#   1302:25  Unique         2.29, 3.32 A)
 &rst
  ixpk= 1302, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 747, 748,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   33 TRP  HZ2          45 LEU  QD+         5.50    (#   1303:25  Unique         2.61, 4.62 A)
 &rst
  ixpk= 1303, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    0 AMB  25-3:1304     0 AMB  25-1:1304   5.50    (#   1304:25  Double Ambig)
 &rst
  ixpk= 1304, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 441, 442, 401,
 igr2= 887, 888, 887, 888,
 &end
#
#   56 PHE  HN           55 SER  HB+         4.50    (#   1305:25  Unique         2.77, 3.39 A)
 &rst
  ixpk= 1305, nxpk= 25, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 887, 888,
 &end
#
#   55 SER  HN           55 SER  HB+         3.50    (#   1306:25  Unique         2.53, 3.06 A)
 &rst
  ixpk= 1306, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 887, 888,
 &end
#
#    0 AMB  25-3:1308     0 AMB  25-1:1308   2.80    (#   1308:25  Double Ambig)
 &rst
  ixpk= 1308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 885, 839,
 igr2= 887, 888, 887, 888,
 &end
#
#    0 AMB  25-3:1309     0 AMB  25-1:1309   5.50    (#   1309:25  Double Ambig)
 &rst
  ixpk= 1309, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 934, 935, 870,
 igr2= 887, 888, 887, 888,
 &end
#
#   10 GLY  HA+          69 VAL  HA          5.50    (#   1310:25  Unique         2.28, 3.37 A)
 &rst
  ixpk= 1310, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 170, 171,
 &end
#
#   69 VAL  HB           69 VAL  HA          3.50    (#   1311:25  Unique         2.25, 2.93 A)
 &rst
  ixpk= 1311, nxpk= 25, iat=1096,1094, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 PHE  HN           55 SER  HB-         4.50    (#   1313:25  Unique         2.77, 3.39 A)
 &rst
  ixpk= 1313, nxpk= 25, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 887, 888,
 &end
#
#   55 SER  HN           55 SER  HB-         2.80    (#   1314:25  Unique         2.53, 3.06 A)
 &rst
  ixpk= 1314, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 887, 888,
 &end
#
#    0 AMB  25-3:1316    55 SER  HB-         2.80    (#   1316:25  Single Ambig)
 &rst
  ixpk= 1316, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 885, 839,
 igr2= 887, 888,
 &end
#
#   79 SER  HA           79 SER  HB2         3.50    (#   1318:25  Unique         2.59, 2.95 A)
 &rst
  ixpk= 1318, nxpk= 25, iat=1246,1248, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 LYS  HA           68 LYS  HG-         5.50    (#   1319:25  Unique         2.44, 2.95 A)
 &rst
  ixpk= 1319, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1077,1078,
 &end
#
#   79 SER  HN           80 LEU  QD-         3.50    (#   1320:25  Unique         5.52, 8.03 A)
 &rst
  ixpk= 1320, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#    0 AMB  25-3:1321    21 VAL  QG-         4.50    (#   1321:25  Single Ambig)
 &rst
  ixpk= 1321, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1366, 904, 908,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#    0 AMB  25-3:1322     0 AMB  25-1:1322   4.50    (#   1322:25  Double Ambig)
 &rst
  ixpk= 1322, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 284,1291,1292,
 igr2= 353, 354, 355, 357, 358, 359,1264,1265,1266,1268,
      1269,1270,
 &end
#
#   48 GLY  HN           80 LEU  QD-         5.50    (#   1323:25  Unique         6.71, 9.36 A)
 &rst
  ixpk= 1323, nxpk= 25, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#   80 LEU  HN           80 LEU  QD-         4.50    (#   1324:25  Unique         2.83, 5.17 A)
 &rst
  ixpk= 1324, nxpk= 25, iat=1255,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#   78 ARG  HA           80 LEU  QD-         5.50    (#   1331:25  Unique         4.67, 7.96 A)
 &rst
  ixpk= 1331, nxpk= 25, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#    2 LEU  HA           80 LEU  QD-         3.50    (#   1335:25  Unique         4.72, 8.07 A)
 &rst
  ixpk= 1335, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#   80 LEU  HA           80 LEU  QD-         3.50    (#   1336:25  Unique         2.06, 3.65 A)
 &rst
  ixpk= 1336, nxpk= 25, iat=1257,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#    1 MET  HG-          80 LEU  QD-         5.50    (#   1338:25  Unique         3.61, 7.13 A)
 &rst
  ixpk= 1338, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  11,  12,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#    1 MET  HB+          80 LEU  QD-         4.50    (#   1339:25  Unique         2.28, 6.02 A)
 &rst
  ixpk= 1339, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=   8,   9,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#   80 LEU  QB           80 LEU  QD-         2.80    (#   1340:25  Unique         2.42, 3.41 A)
 &rst
  ixpk= 1340, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1259,1260,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#   53 LEU  HN           53 LEU  QD+         4.50    (#   1342:25  Unique         3.13, 4.48 A)
 &rst
  ixpk= 1342, nxpk= 25, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   56 PHE  HN           53 LEU  QD+         5.50    (#   1344:25  Unique         4.74, 6.84 A)
 &rst
  ixpk= 1344, nxpk= 25, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    4 TYR  HN           53 LEU  QD+         4.50    (#   1345:25  Unique         3.00, 4.72 A)
 &rst
  ixpk= 1345, nxpk= 25, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   48 GLY  HN           53 LEU  QD+         4.50    (#   1346:25  Unique         2.41, 3.97 A)
 &rst
  ixpk= 1346, nxpk= 25, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    4 TYR  QE           53 LEU  QD+         5.50    (#   1347:25  Unique         2.32, 5.51 A)
 &rst
  ixpk= 1347, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  67,  72,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   56 PHE  QD           53 LEU  QD+         4.50    (#   1348:25  Unique         2.75, 6.88 A)
 &rst
  ixpk= 1348, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 902, 910,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    3 GLN  HA           53 LEU  QD+         5.50    (#   1350:25  Unique         2.61, 4.44 A)
 &rst
  ixpk= 1350, nxpk= 25, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   53 LEU  HA           53 LEU  QD+         4.50    (#   1351:25  Unique         2.23, 3.79 A)
 &rst
  ixpk= 1351, nxpk= 25, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    0 AMB  25-3:1352     0 AMB  25-1:1352   5.50    (#   1352:25  Double Ambig)
 &rst
  ixpk= 1352, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 899, 795, 796,
 igr2= 856, 857, 858, 860, 861, 862, 856, 857, 858, 860,
       861, 862,
 &end
#
#    0 AMB  25-3:1353     0 AMB  25-1:1353   5.50    (#   1353:25  Double Ambig)
 &rst
  ixpk= 1353, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  61, 916,
 igr2= 856, 857, 858, 860, 861, 862, 856, 857, 858, 860,
       861, 862,
 &end
#
#    4 TYR  HB3          53 LEU  QD+         5.50    (#   1354:25  Unique         3.58, 5.39 A)
 &rst
  ixpk= 1354, nxpk= 25, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   53 LEU  HB2          53 LEU  QD+         3.50    (#   1356:25  Unique         2.38, 3.53 A)
 &rst
  ixpk= 1356, nxpk= 25, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    0 AMB  25-3:1357     0 AMB  25-1:1357   2.80    (#   1357:25  Double Ambig)
 &rst
  ixpk= 1357, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 854,  30,  31,  32,  34,  35,  36,  30,  31,  32,
        34,  35,  36, 766, 767, 768,
 igr2= 856, 857, 858, 860, 861, 862, 856, 857, 858, 860,
       861, 862, 856, 857, 858, 860, 861, 862, 856, 857,
       858, 860, 861, 862,
 &end
#
#   30 LEU  HB3          53 LEU  QD+         5.50    (#   1358:25  Unique         4.01, 5.91 A)
 &rst
  ixpk= 1358, nxpk= 25, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   30 LEU  QD-          53 LEU  QD+         2.80    (#   1359:25  Unique         2.35, 5.24 A)
 &rst
  ixpk= 1359, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   30 LEU  QD+          53 LEU  QD+         3.50    (#   1361:25  Unique         2.35, 5.24 A)
 &rst
  ixpk= 1361, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   57 VAL  QG+          53 LEU  QD+         5.50    (#   1362:25  Unique         2.47, 7.87 A)
 &rst
  ixpk= 1362, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 920, 921, 922, 924, 925, 926,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   33 TRP  HD1          35 LYS  HG+         4.50    (#   1363:25  Unique         3.14, 4.28 A)
 &rst
  ixpk= 1363, nxpk= 25, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 585, 586,
 &end
#
#    0 AMB  25-3:1365     0 AMB  25-1:1365   2.80    (#   1365:25  Double Ambig)
 &rst
  ixpk= 1365, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 582, 621, 622,
 igr2= 585, 586, 585, 586,
 &end
#
#   35 LYS  HD+          35 LYS  HG+         3.50    (#   1366:25  Unique         2.34, 2.61 A)
 &rst
  ixpk= 1366, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 588, 589,
 igr2= 585, 586,
 &end
#
#   35 LYS  HE-          35 LYS  HG+         5.50    (#   1369:25  Unique         2.24, 3.23 A)
 &rst
  ixpk= 1369, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 591, 592,
 igr2= 585, 586,
 &end
#
#   35 LYS  HE+          35 LYS  HG-         4.50    (#   1370:25  Unique         2.24, 3.23 A)
 &rst
  ixpk= 1370, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 591, 592,
 igr2= 585, 586,
 &end
#
#   35 LYS  HB3          35 LYS  HG-         4.50    (#   1371:25  Unique         2.51, 2.79 A)
 &rst
  ixpk= 1371, nxpk= 25, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 585, 586,
 &end
#
#    0 AMB  25-3:1372     0 AMB  25-1:1372   3.50    (#   1372:25  Double Ambig)
 &rst
  ixpk= 1372, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 582, 621, 622, 697,
 igr2= 585, 586, 146, 147, 148, 150, 151, 152,
 &end
#
#   34 VAL  HN           34 VAL  QG-         5.50    (#   1374:25  Unique         2.36, 4.05 A)
 &rst
  ixpk= 1374, nxpk= 25, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   35 LYS  HN           34 VAL  QG-         2.80    (#   1375:25  Unique         2.57, 4.07 A)
 &rst
  ixpk= 1375, nxpk= 25, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  25-3:1376    34 VAL  QG-         5.50    (#   1376:25  Single Ambig)
 &rst
  ixpk= 1376, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 709, 600,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  25-3:1377    34 VAL  QG-         4.50    (#   1377:25  Single Ambig)
 &rst
  ixpk= 1377, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1404, 347,1385,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   33 TRP  HD1          34 VAL  QG-         5.50    (#   1378:25  Unique         4.85, 5.92 A)
 &rst
  ixpk= 1378, nxpk= 25, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   22 GLN  HE2-         34 VAL  QG-         3.50    (#   1379:25  Unique         6.02, 8.76 A)
 &rst
  ixpk= 1379, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 375, 376,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   34 VAL  HA           34 VAL  QG-         2.80    (#   1380:25  Unique         2.38, 3.53 A)
 &rst
  ixpk= 1380, nxpk= 25, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  25-3:1381    34 VAL  QG-         4.50    (#   1381:25  Single Ambig)
 &rst
  ixpk= 1381, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 726, 580,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   18 ARG  HA           34 VAL  QG-         4.50    (#   1382:25  Unique         2.31, 3.34 A)
 &rst
  ixpk= 1382, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  25-3:1383    34 VAL  QG-         2.80    (#   1383:25  Single Ambig)
 &rst
  ixpk= 1383, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 286, 287, 566,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   21 VAL  HB           34 VAL  QG-         3.50    (#   1384:25  Unique         2.49, 3.87 A)
 &rst
  ixpk= 1384, nxpk= 25, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   88 ILE  HG1-         34 VAL  QG-         3.50    (#   1385:25  Unique         2.63, 4.91 A)
 &rst
  ixpk= 1385, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1395,1396,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   18 ARG  QG           34 VAL  QG-         3.50    (#   1386:25  Unique         2.17, 4.51 A)
 &rst
  ixpk= 1386, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 289, 290,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  25-3:1387    34 VAL  QG-         2.80    (#   1387:25  Single Ambig)
 &rst
  ixpk= 1387, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 353, 354, 355, 357, 358, 359, 737, 738, 739,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   17 PHE  QD           34 VAL  QG-         5.50    (#   1388:25  Unique         3.18, 6.97 A)
 &rst
  ixpk= 1388, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 270, 278,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  25-3:1390    34 VAL  QG-         3.50    (#   1390:25  Single Ambig)
 &rst
  ixpk= 1390, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 353, 354, 355, 357, 358, 359,1395,1396,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#    8 VAL  HN            8 VAL  QG+         4.50    (#   1394:25  Unique         2.61, 4.17 A)
 &rst
  ixpk= 1394, nxpk= 25, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#    0 AMB  25-3:1395     0 AMB  25-1:1395   4.50    (#   1395:25  Double Ambig)
 &rst
  ixpk= 1395, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1094, 201,
 igr2= 146, 147, 148, 150, 151, 152, 146, 147, 148, 150,
       151, 152,
 &end
#
#   61 LYS  HA            8 VAL  QG+         5.50    (#   1396:25  Unique         3.22, 4.51 A)
 &rst
  ixpk= 1396, nxpk= 25, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#    0 AMB  25-3:1398     0 AMB  25-1:1398   4.50    (#   1398:25  Double Ambig)
 &rst
  ixpk= 1398, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 697, 959,
 igr2= 146, 147, 148, 150, 151, 152, 146, 147, 148, 150,
       151, 152,
 &end
#
#   72 ILE  HB            8 VAL  QG+         3.50    (#   1399:25  Unique         2.40, 4.10 A)
 &rst
  ixpk= 1399, nxpk= 25, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   72 ILE  HG1+          8 VAL  QG+         5.50    (#   1400:25  Unique         2.27, 4.68 A)
 &rst
  ixpk= 1400, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1144,1145,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   60 VAL  QG1           8 VAL  QG+         2.80    (#   1401:25  Unique         2.26, 4.09 A)
 &rst
  ixpk= 1401, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 961, 962, 963,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   70 THR  HN            8 VAL  QG+         5.50    (#   1402:25  Unique         4.20, 6.54 A)
 &rst
  ixpk= 1402, nxpk= 25, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#    9 ASP  HN            8 VAL  QG+         3.50    (#   1403:25  Unique         2.48, 4.23 A)
 &rst
  ixpk= 1403, nxpk= 25, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   71 ASP  HN            8 VAL  QG+         5.50    (#   1404:25  Unique         4.12, 6.06 A)
 &rst
  ixpk= 1404, nxpk= 25, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   17 PHE  QD            8 VAL  QG+         4.50    (#   1405:25  Unique         4.60, 6.69 A)
 &rst
  ixpk= 1405, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 270, 278,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   17 PHE  HZ            8 VAL  QG+         3.50    (#   1406:25  Unique         2.27, 3.45 A)
 &rst
  ixpk= 1406, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#    0 AMB  25-3:1407     0 AMB  25-1:1407   3.50    (#   1407:25  Double Ambig)
 &rst
  ixpk= 1407, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1136, 158,
 igr2= 146, 147, 148, 150, 151, 152, 146, 147, 148, 150,
       151, 152,
 &end
#
#    8 VAL  HA            8 VAL  QG+         2.80    (#   1408:25  Unique         2.38, 3.17 A)
 &rst
  ixpk= 1408, nxpk= 25, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#    0 AMB  25-3:1409     0 AMB  25-1:1409   5.50    (#   1409:25  Double Ambig)
 &rst
  ixpk= 1409, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 161,1126,1127,
 igr2= 146, 147, 148, 150, 151, 152, 146, 147, 148, 150,
       151, 152,
 &end
#
#    8 VAL  HB            8 VAL  QG+         2.80    (#   1410:25  Unique         2.35, 2.66 A)
 &rst
  ixpk= 1410, nxpk= 25, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   12 VAL  QG-           8 VAL  QG+         3.50    (#   1411:25  Unique         2.14, 5.69 A)
 &rst
  ixpk= 1411, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 205, 206, 207, 209, 210, 211,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   12 VAL  QG+           8 VAL  QG+         2.80    (#   1412:25  Unique         2.14, 5.69 A)
 &rst
  ixpk= 1412, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 205, 206, 207, 209, 210, 211,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   90 TYR  QD           89 VAL  HA          5.50    (#   1413:25  Unique         6.13, 6.66 A)
 &rst
  ixpk= 1413, nxpk= 25, iat=  -1,1406, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1428,1437,
 &end
#
#   89 VAL  HN           89 VAL  HA          4.50    (#   1414:25  Unique         2.94, 2.96 A)
 &rst
  ixpk= 1414, nxpk= 25, iat=1404,1406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ARG  HN           18 ARG  HA          4.50    (#   1416:25  Unique         2.82, 2.84 A)
 &rst
  ixpk= 1416, nxpk= 25, iat= 282, 284, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 VAL  HB           89 VAL  HA          4.50    (#   1419:25  Unique         3.04, 3.05 A)
 &rst
  ixpk= 1419, nxpk= 25, iat=1408,1406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 TYR  HN           89 VAL  HA          2.80    (#   1420:25  Unique         2.19, 2.25 A)
 &rst
  ixpk= 1420, nxpk= 25, iat=1420,1406, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   89 VAL  QG+          89 VAL  HA          3.50    (#   1421:25  Unique         2.48, 3.17 A)
 &rst
  ixpk= 1421, nxpk= 25, iat=  -1,1406, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   89 VAL  QG-          89 VAL  HA          3.50    (#   1422:25  Unique         2.48, 3.17 A)
 &rst
  ixpk= 1422, nxpk= 25, iat=  -1,1406, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   21 VAL  QG-          18 ARG  HA          4.50    (#   1423:25  Unique         3.74, 4.77 A)
 &rst
  ixpk= 1423, nxpk= 25, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#   21 VAL  HB           18 ARG  HA          3.50    (#   1424:25  Unique         2.58, 2.81 A)
 &rst
  ixpk= 1424, nxpk= 25, iat= 351, 284, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 ARG  HB-          18 ARG  HA          3.50    (#   1425:25  Unique         2.38, 2.75 A)
 &rst
  ixpk= 1425, nxpk= 25, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 286, 287,
 &end
#
#   34 VAL  QG+          18 ARG  HA          4.50    (#   1426:25  Unique         2.31, 3.34 A)
 &rst
  ixpk= 1426, nxpk= 25, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#   34 VAL  QG-          18 ARG  HA          4.50    (#   1427:25  Unique         2.31, 3.34 A)
 &rst
  ixpk= 1427, nxpk= 25, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#   32 GLY  HN           31 ALA  QB          2.80    (#   1431:25  Unique         2.44, 3.44 A)
 &rst
  ixpk= 1431, nxpk= 25, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 525, 526, 527,
 &end
#
#   85 ARG  HN           31 ALA  QB          3.50    (#   1432:25  Unique         2.25, 3.96 A)
 &rst
  ixpk= 1432, nxpk= 25, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 525, 526, 527,
 &end
#
#   31 ALA  HN           31 ALA  QB          2.80    (#   1433:25  Unique         2.61, 3.31 A)
 &rst
  ixpk= 1433, nxpk= 25, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 525, 526, 527,
 &end
#
#   83 HIS  HN           31 ALA  QB          4.50    (#   1434:25  Unique         3.07, 4.12 A)
 &rst
  ixpk= 1434, nxpk= 25, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 525, 526, 527,
 &end
#
#   86 PHE  HA           31 ALA  QB          5.50    (#   1435:25  Unique         4.07, 5.05 A)
 &rst
  ixpk= 1435, nxpk= 25, iat=1356,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 525, 526, 527,
 &end
#
#   85 ARG  HA           31 ALA  QB          4.50    (#   1437:25  Unique         2.67, 4.04 A)
 &rst
  ixpk= 1437, nxpk= 25, iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 525, 526, 527,
 &end
#
#   31 ALA  HA           31 ALA  QB          2.80    (#   1438:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 1438, nxpk= 25, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 525, 526, 527,
 &end
#
#   83 HIS  HA           31 ALA  QB          5.50    (#   1439:25  Unique         2.12, 4.58 A)
 &rst
  ixpk= 1439, nxpk= 25, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 525, 526, 527,
 &end
#
#   83 HIS  HB2          31 ALA  QB          4.50    (#   1440:25  Unique         2.35, 4.18 A)
 &rst
  ixpk= 1440, nxpk= 25, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 525, 526, 527,
 &end
#
#   83 HIS  HB3          31 ALA  QB          4.50    (#   1442:25  Unique         2.18, 3.01 A)
 &rst
  ixpk= 1442, nxpk= 25, iat=1301,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 525, 526, 527,
 &end
#
#   53 LEU  HN           30 LEU  QD-         4.50    (#   1449:25  Unique         4.23, 5.71 A)
 &rst
  ixpk= 1449, nxpk= 25, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  HN           30 LEU  QD-         3.50    (#   1450:25  Unique         2.65, 4.33 A)
 &rst
  ixpk= 1450, nxpk= 25, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#    0 AMB  25-3:1451    30 LEU  QD-         3.50    (#   1451:25  Single Ambig)
 &rst
  ixpk= 1451, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 795, 796, 849,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   48 GLY  HN           30 LEU  QD-         5.50    (#   1453:25  Unique         3.86, 5.72 A)
 &rst
  ixpk= 1453, nxpk= 25, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#    0 AMB  25-3:1454    30 LEU  QD-         4.50    (#   1454:25  Single Ambig)
 &rst
  ixpk= 1454, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 521, 480,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  HA           30 LEU  QD-         2.80    (#   1455:25  Unique         2.20, 3.78 A)
 &rst
  ixpk= 1455, nxpk= 25, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   48 GLY  HA+          30 LEU  QD-         2.80    (#   1456:25  Unique         2.03, 4.15 A)
 &rst
  ixpk= 1456, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 789, 790,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   49 PRO  HD-          30 LEU  QD-         3.50    (#   1457:25  Unique         2.22, 4.65 A)
 &rst
  ixpk= 1457, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 795, 796,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   25 ALA  HA           30 LEU  QD-         5.50    (#   1458:25  Unique         2.09, 4.20 A)
 &rst
  ixpk= 1458, nxpk= 25, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   49 PRO  HG+          30 LEU  QD-         5.50    (#   1459:25  Unique         3.51, 6.06 A)
 &rst
  ixpk= 1459, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 798, 799,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   28 ARG  HB3          30 LEU  QD-         3.50    (#   1460:25  Unique         2.64, 3.84 A)
 &rst
  ixpk= 1460, nxpk= 25, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   52 ALA  QB           30 LEU  QD-         2.80    (#   1461:25  Unique         2.79, 5.25 A)
 &rst
  ixpk= 1461, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 841, 842, 843,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  HG           30 LEU  QD-         2.80    (#   1462:25  Unique         2.36, 2.66 A)
 &rst
  ixpk= 1462, nxpk= 25, iat= 509,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   53 LEU  HG           30 LEU  QD-         4.50    (#   1463:25  Unique         3.99, 5.30 A)
 &rst
  ixpk= 1463, nxpk= 25, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   53 LEU  QD+          30 LEU  QD-         3.50    (#   1464:25  Unique         2.35, 5.24 A)
 &rst
  ixpk= 1464, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   56 PHE  QD           30 LEU  QD-         5.50    (#   1466:25  Unique         2.15, 5.61 A)
 &rst
  ixpk= 1466, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 902, 910,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   53 LEU  HN           50 GLU  HA          4.50    (#   1468:25  Unique         3.19, 3.34 A)
 &rst
  ixpk= 1468, nxpk= 25, iat= 847, 810, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  HB2          50 GLU  HA          4.50    (#   1469:25  Unique         2.27, 2.53 A)
 &rst
  ixpk= 1469, nxpk= 25, iat= 851, 810, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 TYR  HN           46 ALA  QB          5.50    (#   1470:25  Unique         3.59, 4.65 A)
 &rst
  ixpk= 1470, nxpk= 25, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 766, 767, 768,
 &end
#
#   47 GLU  HN           46 ALA  QB          4.50    (#   1471:25  Unique         2.52, 3.51 A)
 &rst
  ixpk= 1471, nxpk= 25, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 766, 767, 768,
 &end
#
#   44 ILE  HA           21 VAL  QG+         5.50    (#   1473:25  Unique         3.96, 6.00 A)
 &rst
  ixpk= 1473, nxpk= 25, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   53 LEU  QD-          30 LEU  QD-         4.50    (#   1474:25  Unique         2.35, 5.24 A)
 &rst
  ixpk= 1474, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   50 GLU  HN           50 GLU  HA          4.50    (#   1475:25  Unique         2.74, 2.76 A)
 &rst
  ixpk= 1475, nxpk= 25, iat= 808, 810, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  QB           50 GLU  HA          2.80    (#   1476:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 1476, nxpk= 25, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 812, 813,
 &end
#
#    0 AMB  25-3:1477    50 GLU  HA          4.50    (#   1477:25  Single Ambig)
 &rst
  ixpk= 1477, nxpk= 25, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 &end
#
#   50 GLU  QG           50 GLU  HA          3.50    (#   1479:25  Unique         2.58, 2.94 A)
 &rst
  ixpk= 1479, nxpk= 25, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 815, 816,
 &end
#
#   53 LEU  QD-          50 GLU  HA          3.50    (#   1480:25  Unique         2.27, 4.50 A)
 &rst
  ixpk= 1480, nxpk= 25, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   60 VAL  QG1          42 VAL  QG+         5.50    (#   1481:25  Unique         5.11, 7.55 A)
 &rst
  ixpk= 1481, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 961, 962, 963,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   46 ALA  HN           46 ALA  QB          2.80    (#   1483:25  Unique         2.60, 3.26 A)
 &rst
  ixpk= 1483, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 766, 767, 768,
 &end
#
#   46 ALA  HA           46 ALA  QB          2.80    (#   1484:25  Unique         2.35, 2.66 A)
 &rst
  ixpk= 1484, nxpk= 25, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 766, 767, 768,
 &end
#
#    0 AMB  25-3:1485    46 ALA  QB          5.50    (#   1485:25  Single Ambig)
 &rst
  ixpk= 1485, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 728, 106,
 igr2= 766, 767, 768,
 &end
#
#   53 LEU  QD+          46 ALA  QB          4.50    (#   1487:25  Unique         2.55, 4.90 A)
 &rst
  ixpk= 1487, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2= 766, 767, 768,
 &end
#
#   30 LEU  QD+          46 ALA  QB          3.50    (#   1488:25  Unique         2.17, 5.25 A)
 &rst
  ixpk= 1488, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 766, 767, 768,
 &end
#
#    0 AMB  25-3:1489    46 ALA  QB          3.50    (#   1489:25  Single Ambig)
 &rst
  ixpk= 1489, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 904, 908,  65,  74,
 igr2= 766, 767, 768,
 &end
#
#   30 LEU  QD-          46 ALA  QB          3.50    (#   1492:25  Unique         2.17, 5.25 A)
 &rst
  ixpk= 1492, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 766, 767, 768,
 &end
#
#   21 VAL  HN           21 VAL  QG+         3.50    (#   1495:25  Unique         2.22, 3.83 A)
 &rst
  ixpk= 1495, nxpk= 25, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   22 GLN  HN           21 VAL  QG+         3.50    (#   1496:25  Unique         3.49, 4.62 A)
 &rst
  ixpk= 1496, nxpk= 25, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   56 PHE  QD           21 VAL  QG+         4.50    (#   1497:25  Unique         4.45, 7.81 A)
 &rst
  ixpk= 1497, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 902, 910,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   34 VAL  HA           21 VAL  QG+         4.50    (#   1498:25  Unique         4.20, 6.13 A)
 &rst
  ixpk= 1498, nxpk= 25, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#    0 AMB  25-3:1499     0 AMB  25-1:1499   5.50    (#   1499:25  Double Ambig)
 &rst
  ixpk= 1499, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1009,1010, 365,
 igr2= 353, 354, 355, 357, 358, 359, 353, 354, 355, 357,
       358, 359,
 &end
#
#   21 VAL  HA           21 VAL  QG+         3.50    (#   1500:25  Unique         2.31, 3.15 A)
 &rst
  ixpk= 1500, nxpk= 25, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   34 VAL  HB           21 VAL  QG+         2.80    (#   1501:25  Unique         2.31, 4.21 A)
 &rst
  ixpk= 1501, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   21 VAL  HB           21 VAL  QG+         2.80    (#   1502:25  Unique         2.41, 2.67 A)
 &rst
  ixpk= 1502, nxpk= 25, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   44 ILE  HB           21 VAL  QG+         4.50    (#   1503:25  Unique         4.38, 5.76 A)
 &rst
  ixpk= 1503, nxpk= 25, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   24 GLU  HB2          21 VAL  QG+         4.50    (#   1504:25  Unique         3.92, 5.21 A)
 &rst
  ixpk= 1504, nxpk= 25, iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   34 VAL  QG+          21 VAL  QG+         2.80    (#   1505:25  Unique         2.53, 5.09 A)
 &rst
  ixpk= 1505, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 568, 569, 570, 572, 573, 574,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#    0 AMB  25-3:1506     0 AMB  25-1:1506   2.80    (#   1506:25  Double Ambig)
 &rst
  ixpk= 1506, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 734, 735, 730, 731, 732, 568, 569, 570, 572, 573,
       574,
 igr2= 353, 354, 355, 357, 358, 359, 353, 354, 355, 357,
       358, 359, 353, 354, 355, 357, 358, 359,
 &end
#
#   60 VAL  QG2          21 VAL  QG+         3.50    (#   1508:25  Unique         2.22, 4.21 A)
 &rst
  ixpk= 1508, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 965, 966, 967,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   22 GLN  HB3          21 VAL  QG+         5.50    (#   1510:25  Unique         5.26, 6.67 A)
 &rst
  ixpk= 1510, nxpk= 25, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   42 VAL  HN           42 VAL  QG+         4.50    (#   1512:25  Unique         2.91, 4.21 A)
 &rst
  ixpk= 1512, nxpk= 25, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   17 PHE  QD           42 VAL  QG+         3.50    (#   1513:25  Unique         2.29, 5.12 A)
 &rst
  ixpk= 1513, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 270, 278,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   17 PHE  HZ           42 VAL  QG+         5.50    (#   1514:25  Unique         4.44, 5.66 A)
 &rst
  ixpk= 1514, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   13 GLN  HE2-         42 VAL  QG+         5.50    (#   1515:25  Unique         1.89, 5.58 A)
 &rst
  ixpk= 1515, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 227, 228,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   36 ASN  HA           42 VAL  QG+         4.50    (#   1516:25  Unique         2.66, 4.24 A)
 &rst
  ixpk= 1516, nxpk= 25, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#    0 AMB  25-3:1517     0 AMB  25-1:1517   5.50    (#   1517:25  Double Ambig)
 &rst
  ixpk= 1517, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 726, 580,
 igr2= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705,
 &end
#
#   12 VAL  HA           42 VAL  QG+         5.50    (#   1519:25  Unique         4.41, 6.23 A)
 &rst
  ixpk= 1519, nxpk= 25, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   13 GLN  HG+          42 VAL  QG+         3.50    (#   1520:25  Unique         2.47, 5.13 A)
 &rst
  ixpk= 1520, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 222, 223,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   13 GLN  HG-          42 VAL  QG+         3.50    (#   1521:25  Unique         2.47, 5.13 A)
 &rst
  ixpk= 1521, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 222, 223,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#    8 VAL  HB           42 VAL  QG+         4.50    (#   1522:25  Unique         3.99, 4.75 A)
 &rst
  ixpk= 1522, nxpk= 25, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#    0 AMB  25-3:1523     0 AMB  25-1:1523   4.50    (#   1523:25  Double Ambig)
 &rst
  ixpk= 1523, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 621, 622, 582,
 igr2= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705,
 &end
#
#   12 VAL  QG-          42 VAL  QG+         2.80    (#   1525:25  Unique         2.24, 5.86 A)
 &rst
  ixpk= 1525, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 205, 206, 207, 209, 210, 211,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   12 VAL  QG+          42 VAL  QG+         4.50    (#   1526:25  Unique         2.24, 5.86 A)
 &rst
  ixpk= 1526, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 205, 206, 207, 209, 210, 211,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   37 ARG  HN           42 VAL  QG+         4.50    (#   1527:25  Unique         4.22, 5.61 A)
 &rst
  ixpk= 1527, nxpk= 25, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   13 GLN  HE2+         42 VAL  QG+         4.50    (#   1528:25  Unique         1.89, 5.58 A)
 &rst
  ixpk= 1528, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 227, 228,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   43 GLU  HN           42 VAL  QG+         4.50    (#   1530:25  Unique         2.54, 4.00 A)
 &rst
  ixpk= 1530, nxpk= 25, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   67 SER  HA           12 VAL  HA          4.50    (#   1532:25  Unique         3.87, 4.02 A)
 &rst
  ixpk= 1532, nxpk= 25, iat=1061, 201, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1533    12 VAL  HA          3.50    (#   1533:25  Single Ambig)
 &rst
  ixpk= 1533, nxpk= 25, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 205, 206, 207, 209, 210, 211, 245, 246, 247, 249,
       250, 251,
 &end
#
#   12 VAL  QG+          12 VAL  HA          3.50    (#   1534:25  Unique         2.41, 3.53 A)
 &rst
  ixpk= 1534, nxpk= 25, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   13 GLN  HN           12 VAL  HA          4.50    (#   1535:25  Unique         2.99, 3.16 A)
 &rst
  ixpk= 1535, nxpk= 25, iat= 215, 201, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 VAL  HB           12 VAL  HA          3.50    (#   1536:25  Unique         2.45, 2.47 A)
 &rst
  ixpk= 1536, nxpk= 25, iat= 203, 201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1537     0 AMB  25-1:1537   3.50    (#   1537:25  Double Ambig)
 &rst
  ixpk= 1537, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 945, 199,
 igr2= 896, 201,
 &end
#
#   57 VAL  HN           56 PHE  HA          5.50    (#   1539:25  Unique         3.59, 3.64 A)
 &rst
  ixpk= 1539, nxpk= 25, iat= 914, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 PHE  HN           56 PHE  HA          3.50    (#   1540:25  Unique         2.83, 2.85 A)
 &rst
  ixpk= 1540, nxpk= 25, iat= 894, 896, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 VAL  HN           60 VAL  QG1         5.50    (#   1542:25  Unique         4.30, 4.49 A)
 &rst
  ixpk= 1542, nxpk= 25, iat= 955,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 961, 962, 963,
 &end
#
#   61 LYS  HN           60 VAL  QG1         3.50    (#   1543:25  Unique         3.51, 4.33 A)
 &rst
  ixpk= 1543, nxpk= 25, iat= 971,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 961, 962, 963,
 &end
#
#   17 PHE  QD           60 VAL  QG1         5.50    (#   1544:25  Unique         5.42, 7.14 A)
 &rst
  ixpk= 1544, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 270, 278,
 igr2= 961, 962, 963,
 &end
#
#   17 PHE  HZ           60 VAL  QG1         3.50    (#   1545:25  Unique         2.41, 3.39 A)
 &rst
  ixpk= 1545, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 961, 962, 963,
 &end
#
#    0 AMB  25-3:1546    60 VAL  QG1         5.50    (#   1546:25  Single Ambig)
 &rst
  ixpk= 1546, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  67,  72, 904, 908,
 igr2= 961, 962, 963,
 &end
#
#   61 LYS  HA           60 VAL  QG1         4.50    (#   1547:25  Unique         3.56, 4.61 A)
 &rst
  ixpk= 1547, nxpk= 25, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 961, 962, 963,
 &end
#
#   60 VAL  HA           60 VAL  QG1         3.50    (#   1548:25  Unique         2.77, 3.37 A)
 &rst
  ixpk= 1548, nxpk= 25, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 961, 962, 963,
 &end
#
#   57 VAL  HA           60 VAL  QG1         5.50    (#   1549:25  Unique         3.87, 4.45 A)
 &rst
  ixpk= 1549, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 961, 962, 963,
 &end
#
#    8 VAL  HB           60 VAL  QG1         5.50    (#   1550:25  Unique         4.54, 5.04 A)
 &rst
  ixpk= 1550, nxpk= 25, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 961, 962, 963,
 &end
#
#   60 VAL  HB           60 VAL  QG1         2.80    (#   1551:25  Unique         2.44, 2.65 A)
 &rst
  ixpk= 1551, nxpk= 25, iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 961, 962, 963,
 &end
#
#    0 AMB  25-3:1552    60 VAL  QG1         3.50    (#   1552:25  Single Ambig)
 &rst
  ixpk= 1552, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 734, 735, 730, 731, 732,
 igr2= 961, 962, 963,
 &end
#
#   12 VAL  HN           12 VAL  QG+         5.50    (#   1554:25  Unique         2.32, 3.44 A)
 &rst
  ixpk= 1554, nxpk= 25, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   17 PHE  HZ           60 VAL  QG2         4.50    (#   1555:25  Unique         4.05, 5.12 A)
 &rst
  ixpk= 1555, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 965, 966, 967,
 &end
#
#   21 VAL  QG+          60 VAL  QG2         2.80    (#   1556:25  Unique         2.22, 4.21 A)
 &rst
  ixpk= 1556, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 353, 354, 355, 357, 358, 359,
 igr2= 965, 966, 967,
 &end
#
#    0 AMB  25-3:1558    60 VAL  QG2         5.50    (#   1558:25  Single Ambig)
 &rst
  ixpk= 1558, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 347, 894, 743,
 igr2= 965, 966, 967,
 &end
#
#   60 VAL  HN           60 VAL  QG2         2.80    (#   1559:25  Unique         2.40, 3.27 A)
 &rst
  ixpk= 1559, nxpk= 25, iat= 955,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 965, 966, 967,
 &end
#
#   56 PHE  QD           60 VAL  QG2         4.50    (#   1561:25  Unique         2.63, 5.72 A)
 &rst
  ixpk= 1561, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 902, 910,
 igr2= 965, 966, 967,
 &end
#
#   61 LYS  HA           60 VAL  QG2         5.50    (#   1562:25  Unique         6.41, 6.64 A)
 &rst
  ixpk= 1562, nxpk= 25, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 965, 966, 967,
 &end
#
#   60 VAL  HA           60 VAL  QG2         2.80    (#   1563:25  Unique         2.46, 3.01 A)
 &rst
  ixpk= 1563, nxpk= 25, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 965, 966, 967,
 &end
#
#   57 VAL  HA           60 VAL  QG2         4.50    (#   1564:25  Unique         3.05, 3.86 A)
 &rst
  ixpk= 1564, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 965, 966, 967,
 &end
#
#   21 VAL  HA           60 VAL  QG2         4.50    (#   1565:25  Unique         3.47, 4.49 A)
 &rst
  ixpk= 1565, nxpk= 25, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 965, 966, 967,
 &end
#
#   60 VAL  HB           60 VAL  QG2         2.80    (#   1566:25  Unique         2.36, 2.68 A)
 &rst
  ixpk= 1566, nxpk= 25, iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 965, 966, 967,
 &end
#
#   59 ALA  QB           60 VAL  QG2         3.50    (#   1567:25  Unique         3.29, 5.49 A)
 &rst
  ixpk= 1567, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 949, 950, 951,
 igr2= 965, 966, 967,
 &end
#
#    0 AMB  25-3:1568    60 VAL  QG2         5.50    (#   1568:25  Single Ambig)
 &rst
  ixpk= 1568, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 920, 921, 922, 924, 925, 926, 568, 569, 570, 572,
       573, 574,
 igr2= 965, 966, 967,
 &end
#
#    0 AMB  25-3:1569    60 VAL  QG2         3.50    (#   1569:25  Single Ambig)
 &rst
  ixpk= 1569, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 734, 735, 730, 731, 732,
 igr2= 965, 966, 967,
 &end
#
#   68 LYS  HN           12 VAL  HA          5.50    (#   1573:25  Unique         3.91, 4.02 A)
 &rst
  ixpk= 1573, nxpk= 25, iat=1070, 201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 PHE  QD           56 PHE  HA          4.50    (#   1577:25  Unique         2.15, 3.44 A)
 &rst
  ixpk= 1577, nxpk= 25, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 902, 910,
 &end
#
#   56 PHE  HB3          56 PHE  HA          4.50    (#   1578:25  Unique         2.50, 2.83 A)
 &rst
  ixpk= 1578, nxpk= 25, iat= 899, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 PHE  HB2          56 PHE  HA          3.50    (#   1579:25  Unique         2.46, 2.72 A)
 &rst
  ixpk= 1579, nxpk= 25, iat= 898, 896, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 ALA  QB           56 PHE  HA          3.50    (#   1580:25  Unique         2.48, 3.32 A)
 &rst
  ixpk= 1580, nxpk= 25, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 949, 950, 951,
 &end
#
#   68 LYS  HN           12 VAL  QG+         4.50    (#   1581:25  Unique         3.50, 5.45 A)
 &rst
  ixpk= 1581, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   13 GLN  HN           12 VAL  QG+         5.50    (#   1582:25  Unique         3.67, 4.91 A)
 &rst
  ixpk= 1582, nxpk= 25, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   67 SER  QB           12 VAL  QG+         3.50    (#   1583:25  Unique         2.59, 5.86 A)
 &rst
  ixpk= 1583, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1063,1064,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   10 GLY  HA-          12 VAL  QG+         5.50    (#   1584:25  Unique         2.51, 4.77 A)
 &rst
  ixpk= 1584, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 170, 171,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#    8 VAL  HB           12 VAL  QG+         4.50    (#   1585:25  Unique         3.05, 4.42 A)
 &rst
  ixpk= 1585, nxpk= 25, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   70 THR  HN           12 VAL  QG+         5.50    (#   1587:25  Unique         4.03, 5.37 A)
 &rst
  ixpk= 1587, nxpk= 25, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   11 ARG  HN           12 VAL  QG+         3.50    (#   1588:25  Unique         3.17, 4.99 A)
 &rst
  ixpk= 1588, nxpk= 25, iat= 175,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#    0 AMB  25-3:1589     0 AMB  25-1:1589   4.50    (#   1589:25  Double Ambig)
 &rst
  ixpk= 1589, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 168, 156,
 igr2= 205, 206, 207, 209, 210, 211, 205, 206, 207, 209,
       210, 211,
 &end
#
#    0 AMB  25-3:1590     0 AMB  25-1:1590   3.50    (#   1590:25  Double Ambig)
 &rst
  ixpk= 1590, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 227, 228, 199,
 igr2= 205, 206, 207, 209, 210, 211, 205, 206, 207, 209,
       210, 211,
 &end
#
#   17 PHE  QD           12 VAL  QG+         3.50    (#   1591:25  Unique         2.62, 5.70 A)
 &rst
  ixpk= 1591, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 270, 278,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#    9 ASP  HA           12 VAL  QG+         5.50    (#   1592:25  Unique         2.60, 4.15 A)
 &rst
  ixpk= 1592, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   10 GLY  HA+          12 VAL  QG+         5.50    (#   1593:25  Unique         2.51, 4.77 A)
 &rst
  ixpk= 1593, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 170, 171,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#    0 AMB  25-3:1594     0 AMB  25-1:1594   3.50    (#   1594:25  Double Ambig)
 &rst
  ixpk= 1594, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 177,1061,
 igr2= 205, 206, 207, 209, 210, 211, 205, 206, 207, 209,
       210, 211,
 &end
#
#    0 AMB  25-3:1595     0 AMB  25-1:1595   2.80    (#   1595:25  Double Ambig)
 &rst
  ixpk= 1595, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 201,1094,
 igr2= 205, 206, 207, 209, 210, 211, 205, 206, 207, 209,
       210, 211,
 &end
#
#   12 VAL  HB           12 VAL  QG+         2.80    (#   1596:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1596, nxpk= 25, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   68 LYS  HG+          12 VAL  QG+         5.50    (#   1597:25  Unique         6.01, 8.71 A)
 &rst
  ixpk= 1597, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1077,1078,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   42 VAL  QG+          12 VAL  QG+         3.50    (#   1598:25  Unique         2.24, 5.86 A)
 &rst
  ixpk= 1598, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 699, 700, 701, 703, 704, 705,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#    8 VAL  QG+          12 VAL  QG+         2.80    (#   1599:25  Unique         2.14, 5.69 A)
 &rst
  ixpk= 1599, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 146, 147, 148, 150, 151, 152,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#    0 AMB  25-3:1600     0 AMB  25-1:1600   2.80    (#   1600:25  Double Ambig)
 &rst
  ixpk= 1600, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 146, 147, 148, 150, 151, 152,1098,1099,1100,1102,
      1103,1104,1098,1099,1100,1102,1103,1104,
 igr2= 205, 206, 207, 209, 210, 211, 205, 206, 207, 209,
       210, 211, 205, 206, 207, 209, 210, 211,
 &end
#
#    0 AMB  25-3:1602     0 AMB  25-1:1602   4.50    (#   1602:25  Double Ambig)
 &rst
  ixpk= 1602, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 274, 682,
 igr2= 965, 966, 967, 205, 206, 207, 209, 210, 211, 205,
       206, 207, 209, 210, 211,
 &end
#
#   11 ARG  HB+          12 VAL  QG+         5.50    (#   1603:25  Unique         4.61, 6.56 A)
 &rst
  ixpk= 1603, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 179, 180,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   21 VAL  HB           60 VAL  QG2         5.50    (#   1606:25  Unique         4.60, 5.73 A)
 &rst
  ixpk= 1606, nxpk= 25, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 965, 966, 967,
 &end
#
#   70 THR  HN           70 THR  QG2         2.80    (#   1607:25  Unique         2.92, 3.71 A)
 &rst
  ixpk= 1607, nxpk= 25, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1114,1115,1116,
 &end
#
#   11 ARG  HN           70 THR  QG2         5.50    (#   1608:25  Unique         3.09, 4.18 A)
 &rst
  ixpk= 1608, nxpk= 25, iat= 175,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1114,1115,1116,
 &end
#
#   70 THR  HA           70 THR  QG2         2.80    (#   1609:25  Unique         2.44, 3.10 A)
 &rst
  ixpk= 1609, nxpk= 25, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1114,1115,1116,
 &end
#
#   70 THR  HB           70 THR  QG2         2.80    (#   1610:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 1610, nxpk= 25, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1114,1115,1116,
 &end
#
#   69 VAL  HA           70 THR  QG2         4.50    (#   1611:25  Unique         3.71, 4.81 A)
 &rst
  ixpk= 1611, nxpk= 25, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1114,1115,1116,
 &end
#
#   10 GLY  HA-          70 THR  QG2         3.50    (#   1612:25  Unique         2.49, 3.56 A)
 &rst
  ixpk= 1612, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 170, 171,
 igr2=1114,1115,1116,
 &end
#
#   68 LYS  QE           70 THR  QG2         4.50    (#   1613:25  Unique         2.88, 5.22 A)
 &rst
  ixpk= 1613, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1083,1084,
 igr2=1114,1115,1116,
 &end
#
#   18 ARG  HA           42 VAL  QG-         5.50    (#   1615:25  Unique         3.84, 5.40 A)
 &rst
  ixpk= 1615, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   71 ASP  HB+          70 THR  QG2         5.50    (#   1616:25  Unique         6.52, 6.90 A)
 &rst
  ixpk= 1616, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1126,1127,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  25-3:1617    42 VAL  QG-         4.50    (#   1617:25  Single Ambig)
 &rst
  ixpk= 1617, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 585, 586, 676, 677,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#    0 AMB  25-3:1618     0 AMB  25-1:1618   5.50    (#   1618:25  Double Ambig)
 &rst
  ixpk= 1618, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 609, 610,1122, 199,
 igr2= 699, 700, 701, 703, 704, 705,1114,1115,1116,
 &end
#
#   10 GLY  HA+          70 THR  QG2         3.50    (#   1619:25  Unique         2.49, 3.56 A)
 &rst
  ixpk= 1619, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 170, 171,
 igr2=1114,1115,1116,
 &end
#
#    6 ILE  HA           74 VAL  QG-         3.50    (#   1620:25  Unique         3.71, 5.27 A)
 &rst
  ixpk= 1620, nxpk= 25, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   77 SER  HB+          75 THR  QG2         5.50    (#   1622:25  Unique         5.51, 7.63 A)
 &rst
  ixpk= 1622, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1213,1214,
 igr2=1186,1187,1188,
 &end
#
#    5 ARG  HN           75 THR  QG2         4.50    (#   1623:25  Unique         4.67, 5.48 A)
 &rst
  ixpk= 1623, nxpk= 25, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1186,1187,1188,
 &end
#
#   76 GLU  HA           75 THR  QG2         5.50    (#   1624:25  Unique         4.34, 5.57 A)
 &rst
  ixpk= 1624, nxpk= 25, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1186,1187,1188,
 &end
#
#   75 THR  HA           75 THR  QG2         2.80    (#   1625:25  Unique         2.43, 2.99 A)
 &rst
  ixpk= 1625, nxpk= 25, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1186,1187,1188,
 &end
#
#   75 THR  HB           75 THR  QG2         2.80    (#   1626:25  Unique         2.44, 2.66 A)
 &rst
  ixpk= 1626, nxpk= 25, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1186,1187,1188,
 &end
#
#    0 AMB  25-3:1627    42 VAL  QG-         3.50    (#   1627:25  Single Ambig)
 &rst
  ixpk= 1627, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 578, 724,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   43 GLU  HN           42 VAL  QG-         3.50    (#   1628:25  Unique         2.54, 4.00 A)
 &rst
  ixpk= 1628, nxpk= 25, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   17 PHE  QD           42 VAL  QG-         3.50    (#   1629:25  Unique         2.29, 5.12 A)
 &rst
  ixpk= 1629, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 270, 278,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#    0 AMB  25-3:1630    42 VAL  QG-         5.50    (#   1630:25  Single Ambig)
 &rst
  ixpk= 1630, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 274, 682,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#    0 AMB  25-3:1631    42 VAL  QG-         4.50    (#   1631:25  Single Ambig)
 &rst
  ixpk= 1631, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 566, 286, 287,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#    8 VAL  HB           42 VAL  QG-         3.50    (#   1632:25  Unique         3.99, 4.75 A)
 &rst
  ixpk= 1632, nxpk= 25, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#    0 AMB  25-3:1633     0 AMB  25-1:1633   4.50    (#   1633:25  Double Ambig)
 &rst
  ixpk= 1633, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1=1074,1075, 179, 180, 621, 622,
 igr2=1114,1115,1116, 699, 700, 701, 703, 704, 705,
 &end
#
#   44 ILE  QD1          42 VAL  QG-         5.50    (#   1634:25  Unique         2.36, 5.20 A)
 &rst
  ixpk= 1634, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 737, 738, 739,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   42 VAL  HN           42 VAL  QG-         5.50    (#   1636:25  Unique         2.91, 4.21 A)
 &rst
  ixpk= 1636, nxpk= 25, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   34 VAL  HA           42 VAL  QG-         5.50    (#   1637:25  Unique         4.20, 6.18 A)
 &rst
  ixpk= 1637, nxpk= 25, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   13 GLN  HG+          42 VAL  QG-         4.50    (#   1639:25  Unique         2.47, 5.13 A)
 &rst
  ixpk= 1639, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 222, 223,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#    0 AMB  25-3:1640    42 VAL  QG-         5.50    (#   1640:25  Single Ambig)
 &rst
  ixpk= 1640, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 351, 713, 714,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   21 VAL  QG-          42 VAL  QG-         4.50    (#   1641:25  Unique         2.99, 6.93 A)
 &rst
  ixpk= 1641, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 353, 354, 355, 357, 358, 359,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   57 VAL  HN           57 VAL  QG-         3.50    (#   1643:25  Unique         2.19, 3.85 A)
 &rst
  ixpk= 1643, nxpk= 25, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#    0 AMB  25-3:1644     0 AMB  25-1:1644   5.50    (#   1644:25  Double Ambig)
 &rst
  ixpk= 1644, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 873, 874,1126,1127,
 igr2= 920, 921, 922, 924, 925, 926,1098,1099,1100,1102,
      1103,1104, 146, 147, 148, 150, 151, 152,
 &end
#
#    8 VAL  HN            8 VAL  QG-         2.80    (#   1645:25  Unique         2.61, 4.17 A)
 &rst
  ixpk= 1645, nxpk= 25, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#    9 ASP  HN            0 AMB  25-1:1646   4.50    (#   1646:25  Single Ambig)
 &rst
  ixpk= 1646, nxpk= 25, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 146, 147, 148, 150, 151, 152,1098,1099,1100,1102,
      1103,1104,
 &end
#
#    0 AMB  25-3:1647     0 AMB  25-1:1647   3.50    (#   1647:25  Double Ambig)
 &rst
  ixpk= 1647, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1134, 955,
 igr2=1098,1099,1100,1102,1103,1104, 920, 921, 922, 924,
       925, 926, 146, 147, 148, 150, 151, 152,
 &end
#
#   61 LYS  HN            0 AMB  25-1:1648   3.50    (#   1648:25  Single Ambig)
 &rst
  ixpk= 1648, nxpk= 25, iat= 971,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 920, 921, 922, 924, 925, 926,1098,1099,1100,1102,
      1103,1104, 146, 147, 148, 150, 151, 152,
 &end
#
#    4 TYR  QD           57 VAL  QG-         4.50    (#   1649:25  Unique         2.42, 5.58 A)
 &rst
  ixpk= 1649, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  65,  74,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#    9 ASP  HA            0 AMB  25-1:1651   4.50    (#   1651:25  Single Ambig)
 &rst
  ixpk= 1651, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 146, 147, 148, 150, 151, 152,1098,1099,1100,1102,
      1103,1104,
 &end
#
#    0 AMB  25-3:1652     0 AMB  25-1:1652   4.50    (#   1652:25  Double Ambig)
 &rst
  ixpk= 1652, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 170, 171, 170, 171,
 igr2=1098,1099,1100,1102,1103,1104, 146, 147, 148, 150,
       151, 152,
 &end
#
#   57 VAL  HA           57 VAL  QG-         2.80    (#   1653:25  Unique         2.38, 3.15 A)
 &rst
  ixpk= 1653, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#    0 AMB  25-3:1654     0 AMB  25-1:1654   5.50    (#   1654:25  Double Ambig)
 &rst
  ixpk= 1654, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 898, 679, 680,
 igr2= 920, 921, 922, 924, 925, 926, 146, 147, 148, 150,
       151, 152,
 &end
#
#   62 ASN  QB            0 AMB  25-1:1655   4.50    (#   1655:25  Single Ambig)
 &rst
  ixpk= 1655, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 997, 998,
 igr2=1098,1099,1100,1102,1103,1104, 146, 147, 148, 150,
       151, 152,
 &end
#
#   57 VAL  HB           57 VAL  QG-         2.80    (#   1656:25  Unique         2.32, 2.67 A)
 &rst
  ixpk= 1656, nxpk= 25, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#    0 AMB  25-3:1657     0 AMB  25-1:1657   2.80    (#   1657:25  Double Ambig)
 &rst
  ixpk= 1657, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 975, 976, 697, 959, 975, 976,1168,
 igr2=1098,1099,1100,1102,1103,1104, 146, 147, 148, 150,
       151, 152, 920, 921, 922, 924, 925, 926,
 &end
#
#   72 ILE  HB            0 AMB  25-1:1658   2.80    (#   1658:25  Single Ambig)
 &rst
  ixpk= 1658, nxpk= 25, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 146, 147, 148, 150, 151, 152,1098,1099,1100,1102,
      1103,1104,
 &end
#
#    0 AMB  25-3:1659     0 AMB  25-1:1659   3.50    (#   1659:25  Double Ambig)
 &rst
  ixpk= 1659, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 978, 979, 851,
 igr2= 920, 921, 922, 924, 925, 926,1098,1099,1100,1102,
      1103,1104,
 &end
#
#    8 VAL  HA            8 VAL  QG-         2.80    (#   1660:25  Unique         2.38, 3.17 A)
 &rst
  ixpk= 1660, nxpk= 25, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   76 GLU  QG           74 VAL  QG-         5.50    (#   1662:25  Unique         2.64, 5.80 A)
 &rst
  ixpk= 1662, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1201,1202,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   75 THR  HN           74 VAL  QG-         3.50    (#   1663:25  Unique         2.59, 4.12 A)
 &rst
  ixpk= 1663, nxpk= 25, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   74 VAL  HN           74 VAL  QG-         2.80    (#   1664:25  Unique         2.00, 4.06 A)
 &rst
  ixpk= 1664, nxpk= 25, iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   73 SER  HA           74 VAL  QG-         3.50    (#   1665:25  Unique         3.21, 5.41 A)
 &rst
  ixpk= 1665, nxpk= 25, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   74 VAL  HA           74 VAL  QG-         2.80    (#   1666:25  Unique         2.50, 3.34 A)
 &rst
  ixpk= 1666, nxpk= 25, iat=1166,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   74 VAL  HB           74 VAL  QG-         2.80    (#   1668:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1668, nxpk= 25, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   72 ILE  HG1+         74 VAL  QG-         3.50    (#   1669:25  Unique         2.44, 5.57 A)
 &rst
  ixpk= 1669, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1144,1145,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    0 AMB  25-3:1670    74 VAL  QG-         2.80    (#   1670:25  Single Ambig)
 &rst
  ixpk= 1670, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 112, 113, 115, 116, 117,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   57 VAL  HB           74 VAL  QG-         5.50    (#   1673:25  Unique         5.10, 6.62 A)
 &rst
  ixpk= 1673, nxpk= 25, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   57 VAL  QG+          54 GLN  HA          5.50    (#   1674:25  Unique         2.38, 4.53 A)
 &rst
  ixpk= 1674, nxpk= 25, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#    0 AMB  25-3:1675    54 GLN  HA          2.80    (#   1675:25  Single Ambig)
 &rst
  ixpk= 1675, nxpk= 25, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 866, 914,
 &end
#
#   55 SER  HN           54 GLN  HA          4.50    (#   1676:25  Unique         3.63, 3.64 A)
 &rst
  ixpk= 1676, nxpk= 25, iat= 883, 868, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 GLN  HG+          54 GLN  HA          4.50    (#   1677:25  Unique         2.67, 3.28 A)
 &rst
  ixpk= 1677, nxpk= 25, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 873, 874,
 &end
#
#   54 GLN  HG-          54 GLN  HA          4.50    (#   1678:25  Unique         2.67, 3.28 A)
 &rst
  ixpk= 1678, nxpk= 25, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 873, 874,
 &end
#
#    0 AMB  25-3:1679    54 GLN  HA          2.80    (#   1679:25  Single Ambig)
 &rst
  ixpk= 1679, nxpk= 25, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 871, 918,
 &end
#
#   54 GLN  HB2          54 GLN  HA          4.50    (#   1680:25  Unique         3.00, 3.04 A)
 &rst
  ixpk= 1680, nxpk= 25, iat= 870, 868, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1684    57 VAL  QG-         5.50    (#   1684:25  Single Ambig)
 &rst
  ixpk= 1684, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 885, 839,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#    0 AMB  25-3:1685     0 AMB  25-1:1685   3.50    (#   1685:25  Double Ambig)
 &rst
  ixpk= 1685, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1063,1064, 932,
 igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104, 920, 921, 922, 924, 925, 926,
 &end
#
#   70 THR  HN            0 AMB  25-1:1687   3.50    (#   1687:25  Single Ambig)
 &rst
  ixpk= 1687, nxpk= 25, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#   71 ASP  HN            0 AMB  25-1:1688   3.50    (#   1688:25  Single Ambig)
 &rst
  ixpk= 1688, nxpk= 25, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#   17 PHE  QD            0 AMB  25-1:1689   3.50    (#   1689:25  Single Ambig)
 &rst
  ixpk= 1689, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 270, 278,
 igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104, 146, 147, 148, 150, 151, 152,
 &end
#
#   17 PHE  HZ            8 VAL  QG-         2.80    (#   1690:25  Unique         2.27, 3.45 A)
 &rst
  ixpk= 1690, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   61 LYS  HA            0 AMB  25-1:1691   2.80    (#   1691:25  Single Ambig)
 &rst
  ixpk= 1691, nxpk= 25, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#    9 ASP  HB3           0 AMB  25-1:1692   5.50    (#   1692:25  Single Ambig)
 &rst
  ixpk= 1692, nxpk= 25, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104, 146, 147, 148, 150, 151, 152,
 &end
#
#   69 VAL  HB            0 AMB  25-1:1693   2.80    (#   1693:25  Single Ambig)
 &rst
  ixpk= 1693, nxpk= 25, iat=1096,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104, 146, 147, 148, 150, 151, 152,
 &end
#
#   54 GLN  HE2+         54 GLN  HA          5.50    (#   1695:25  Unique         2.83, 3.35 A)
 &rst
  ixpk= 1695, nxpk= 25, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 878, 879,
 &end
#
#   88 ILE  HG1-         34 VAL  QG+         5.50    (#   1696:25  Unique         2.63, 4.91 A)
 &rst
  ixpk= 1696, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1395,1396,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   18 ARG  HB-          34 VAL  QG+         3.50    (#   1697:25  Unique         2.28, 4.41 A)
 &rst
  ixpk= 1697, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 286, 287,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  25-3:1698     0 AMB  25-1:1698   5.50    (#   1698:25  Double Ambig)
 &rst
  ixpk= 1698, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1= 146, 147, 148, 150, 151, 152, 115, 116, 117,
 igr2= 568, 569, 570, 572, 573, 574,1186,1187,1188,
 &end
#
#    0 AMB  25-3:1699     0 AMB  25-1:1699   2.80    (#   1699:25  Double Ambig)
 &rst
  ixpk= 1699, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1094,1009,1010,1009,1010,
 igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,1098,1099,1100,1102,1103,1104,
 &end
#
#   61 LYS  HN           58 GLU  HA          5.50    (#   1700:25  Unique         3.50, 3.52 A)
 &rst
  ixpk= 1700, nxpk= 25, iat= 971, 932, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 ALA  HN           58 GLU  HA          4.50    (#   1701:25  Unique         3.55, 3.55 A)
 &rst
  ixpk= 1701, nxpk= 25, iat= 945, 932, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 GLU  HN           58 GLU  HA          2.80    (#   1702:25  Unique         2.82, 2.83 A)
 &rst
  ixpk= 1702, nxpk= 25, iat= 930, 932, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   58 GLU  QB           58 GLU  HA          2.80    (#   1703:25  Unique         2.45, 2.76 A)
 &rst
  ixpk= 1703, nxpk= 25, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 934, 935,
 &end
#
#   61 LYS  QG           58 GLU  HA          4.50    (#   1704:25  Unique         2.09, 2.80 A)
 &rst
  ixpk= 1704, nxpk= 25, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 978, 979,
 &end
#
#   61 LYS  HB+          61 LYS  HA          2.80    (#   1705:25  Unique         2.35, 2.40 A)
 &rst
  ixpk= 1705, nxpk= 25, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 975, 976,
 &end
#
#   72 ILE  HB           61 LYS  HA          4.50    (#   1706:25  Unique         3.30, 3.64 A)
 &rst
  ixpk= 1706, nxpk= 25, iat=1138, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1707    61 LYS  HA          3.50    (#   1707:25  Single Ambig)
 &rst
  ixpk= 1707, nxpk= 25, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1147,1148,1149, 961, 962, 963,
 &end
#
#   61 LYS  HN           61 LYS  HA          3.50    (#   1708:25  Unique         2.86, 2.87 A)
 &rst
  ixpk= 1708, nxpk= 25, iat= 971, 973, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 VAL  HB           61 LYS  HA          5.50    (#   1709:25  Unique         3.77, 3.96 A)
 &rst
  ixpk= 1709, nxpk= 25, iat=1096, 973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 LYS  QG           61 LYS  HA          3.50    (#   1710:25  Unique         3.74, 3.76 A)
 &rst
  ixpk= 1710, nxpk= 25, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 978, 979,
 &end
#
#   25 ALA  HN           22 GLN  HA          4.50    (#   1712:25  Unique         3.18, 3.33 A)
 &rst
  ixpk= 1712, nxpk= 25, iat= 412, 365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLN  HN           22 GLN  HA          2.80    (#   1714:25  Unique         2.82, 2.83 A)
 &rst
  ixpk= 1714, nxpk= 25, iat= 363, 365, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   22 GLN  QG           22 GLN  HA          3.50    (#   1716:25  Unique         2.72, 3.26 A)
 &rst
  ixpk= 1716, nxpk= 25, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 370, 371,
 &end
#
#   25 ALA  QB           22 GLN  HA          3.50    (#   1717:25  Unique         2.41, 3.40 A)
 &rst
  ixpk= 1717, nxpk= 25, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 416, 417, 418,
 &end
#
#   22 GLN  HN           34 VAL  QG+         4.50    (#   1718:25  Unique         3.31, 5.14 A)
 &rst
  ixpk= 1718, nxpk= 25, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   34 VAL  HN           34 VAL  QG+         2.80    (#   1719:25  Unique         2.36, 4.05 A)
 &rst
  ixpk= 1719, nxpk= 25, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   88 ILE  HA           34 VAL  QG+         3.50    (#   1721:25  Unique         2.32, 4.23 A)
 &rst
  ixpk= 1721, nxpk= 25, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  25-3:1722     0 AMB  25-1:1722   5.50    (#   1722:25  Double Ambig)
 &rst
  ixpk= 1722, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
 igr1= 542, 543,1359, 331, 332,
 igr2= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
       573, 574, 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  25-3:1723     0 AMB  25-1:1723   2.80    (#   1723:25  Double Ambig)
 &rst
  ixpk= 1723, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 286, 287, 566,
 igr2= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
       573, 574,
 &end
#
#   21 VAL  HB           34 VAL  QG+         3.50    (#   1724:25  Unique         2.49, 3.87 A)
 &rst
  ixpk= 1724, nxpk= 25, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  25-3:1726     0 AMB  25-1:1726   3.50    (#   1726:25  Double Ambig)
 &rst
  ixpk= 1726, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
 igr1= 353, 354, 355, 357, 358, 359,1395,1396,
 igr2= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
       573, 574,
 &end
#
#   88 ILE  QG2          34 VAL  QG+         3.50    (#   1727:25  Unique         2.63, 5.65 A)
 &rst
  ixpk= 1727, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1391,1392,1393,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  25-3:1728     0 AMB  25-1:1728   3.50    (#   1728:25  Double Ambig)
 &rst
  ixpk= 1728, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1404, 347,1385,
 igr2= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
       573, 574, 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  25-3:1729     0 AMB  25-1:1729   5.50    (#   1729:25  Double Ambig)
 &rst
  ixpk= 1729, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 368, 713, 714,
 igr2= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
       573, 574,
 &end
#
#   69 VAL  HN            0 AMB  25-1:1731   2.80    (#   1731:25  Single Ambig)
 &rst
  ixpk= 1731, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#   63 GLY  HN            0 AMB  25-1:1732   4.50    (#   1732:25  Single Ambig)
 &rst
  ixpk= 1732, nxpk= 25, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#    0 AMB  25-3:1733     0 AMB  25-1:1733   3.50    (#   1733:25  Double Ambig)
 &rst
  ixpk= 1733, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 995,1072,
 igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,1098,1099,1100,1102,1103,1104,
 &end
#
#   63 GLY  HA-           0 AMB  25-1:1734   3.50    (#   1734:25  Single Ambig)
 &rst
  ixpk= 1734, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1009,1010,
 igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#    0 AMB  25-3:1735     0 AMB  25-1:1735   3.50    (#   1735:25  Double Ambig)
 &rst
  ixpk= 1735, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.17, r4= 9.67,
 igr1= 205, 206, 207, 209, 210, 211, 205, 206, 207, 209,
       210, 211, 856, 857, 858, 860, 861, 862,
 igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104, 920, 921, 922, 924, 925, 926,
 &end
#
#    0 AMB  25-3:1736     0 AMB  25-1:1736   5.50    (#   1736:25  Double Ambig)
 &rst
  ixpk= 1736, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 179, 180, 219,
 igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
       250, 251,
 &end
#
#   27 LYS  HN           27 LYS  HA          2.80    (#   1738:25  Unique         2.79, 2.81 A)
 &rst
  ixpk= 1738, nxpk= 25, iat= 434, 436, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   27 LYS  QB           27 LYS  HA          2.80    (#   1739:25  Unique         2.22, 2.43 A)
 &rst
  ixpk= 1739, nxpk= 25, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 438, 439,
 &end
#
#   61 LYS  QD           58 GLU  HA          4.50    (#   1741:25  Unique         2.80, 3.60 A)
 &rst
  ixpk= 1741, nxpk= 25, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 981, 982,
 &end
#
#    0 AMB  25-3:1742    58 GLU  HA          3.50    (#   1742:25  Single Ambig)
 &rst
  ixpk= 1742, nxpk= 25, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 937, 938, 937, 938,
 &end
#
#   62 ASN  HN           61 LYS  HA          4.50    (#   1743:25  Unique         3.20, 3.33 A)
 &rst
  ixpk= 1743, nxpk= 25, iat= 993, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1744    61 LYS  HA          3.50    (#   1744:25  Single Ambig)
 &rst
  ixpk= 1744, nxpk= 25, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#   35 LYS  HN           34 VAL  QG+         5.50    (#   1749:25  Unique         2.57, 4.07 A)
 &rst
  ixpk= 1749, nxpk= 25, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   18 ARG  HA           34 VAL  QG+         4.50    (#   1750:25  Unique         2.31, 3.34 A)
 &rst
  ixpk= 1750, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   18 ARG  HD-          34 VAL  QG+         5.50    (#   1751:25  Unique         2.21, 4.97 A)
 &rst
  ixpk= 1751, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 292, 293,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   34 VAL  HA           34 VAL  QG+         4.50    (#   1752:25  Unique         2.38, 3.53 A)
 &rst
  ixpk= 1752, nxpk= 25, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   15 VAL  HA           15 VAL  QG+         2.80    (#   1753:25  Unique         2.29, 3.46 A)
 &rst
  ixpk= 1753, nxpk= 25, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#    0 AMB  25-3:1754     0 AMB  25-1:1754   4.50    (#   1754:25  Double Ambig)
 &rst
  ixpk= 1754, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 201, 234, 235,
 igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
       250, 251,
 &end
#
#   67 SER  QB           15 VAL  QG+         5.50    (#   1755:25  Unique         2.97, 5.23 A)
 &rst
  ixpk= 1755, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1063,1064,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   66 PHE  HB+          15 VAL  QG+         4.50    (#   1756:25  Unique         2.55, 4.45 A)
 &rst
  ixpk= 1756, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1043,1044,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   11 ARG  HD+          15 VAL  QG+         4.50    (#   1757:25  Unique         2.27, 4.67 A)
 &rst
  ixpk= 1757, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 185, 186,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#    0 AMB  25-3:1758     0 AMB  25-1:1758   4.50    (#   1758:25  Double Ambig)
 &rst
  ixpk= 1758, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 266, 267,1043,1044,
 igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
       250, 251,
 &end
#
#   15 VAL  HB           15 VAL  QG+         2.80    (#   1759:25  Unique         2.37, 2.65 A)
 &rst
  ixpk= 1759, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   11 ARG  HG+          15 VAL  QG+         3.50    (#   1760:25  Unique         2.26, 3.79 A)
 &rst
  ixpk= 1760, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 182, 183,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   67 SER  HA           15 VAL  QG+         3.50    (#   1762:25  Unique         2.15, 3.46 A)
 &rst
  ixpk= 1762, nxpk= 25, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   35 LYS  HE+          89 VAL  QG+         5.50    (#   1763:25  Unique         2.32, 4.75 A)
 &rst
  ixpk= 1763, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 591, 592,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   89 VAL  HN           89 VAL  QG+         4.50    (#   1764:25  Unique         2.42, 3.93 A)
 &rst
  ixpk= 1764, nxpk= 25, iat=1404,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   91 SER  HN           89 VAL  QG+         4.50    (#   1765:25  Unique         1.98, 4.49 A)
 &rst
  ixpk= 1765, nxpk= 25, iat=1441,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   89 VAL  HA           89 VAL  QG+         3.50    (#   1766:25  Unique         2.48, 3.17 A)
 &rst
  ixpk= 1766, nxpk= 25, iat=1406,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   33 TRP  HB+          89 VAL  QG+         5.50    (#   1767:25  Unique         2.22, 5.16 A)
 &rst
  ixpk= 1767, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 542, 543,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   33 TRP  HB-          89 VAL  QG+         5.50    (#   1768:25  Unique         2.22, 5.16 A)
 &rst
  ixpk= 1768, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 542, 543,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   89 VAL  HB           89 VAL  QG+         2.80    (#   1769:25  Unique         2.44, 2.67 A)
 &rst
  ixpk= 1769, nxpk= 25, iat=1408,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   35 LYS  HB3          89 VAL  QG+         3.50    (#   1770:25  Unique         2.43, 3.62 A)
 &rst
  ixpk= 1770, nxpk= 25, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   35 LYS  HG+          89 VAL  QG+         4.50    (#   1771:25  Unique         4.60, 6.04 A)
 &rst
  ixpk= 1771, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 585, 586,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   35 LYS  HD+          89 VAL  QG+         3.50    (#   1772:25  Unique         3.44, 5.75 A)
 &rst
  ixpk= 1772, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 588, 589,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#    0 AMB  25-3:1775     0 AMB  25-1:1775   5.50    (#   1775:25  Double Ambig)
 &rst
  ixpk= 1775, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1387,1443,
 igr2=1410,1411,1412,1414,1415,1416,1410,1411,1412,1414,
      1415,1416,
 &end
#
#   28 ARG  HN           27 LYS  HA          4.50    (#   1777:25  Unique         3.36, 3.51 A)
 &rst
  ixpk= 1777, nxpk= 25, iat= 456, 436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LYS  QG           27 LYS  HA          3.50    (#   1778:25  Unique         3.61, 3.78 A)
 &rst
  ixpk= 1778, nxpk= 25, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 441, 442,
 &end
#
#   87 SER  HB3          89 VAL  QG+         5.50    (#   1780:25  Unique         3.47, 5.61 A)
 &rst
  ixpk= 1780, nxpk= 25, iat=1379,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   90 TYR  HN           89 VAL  QG+         3.50    (#   1781:25  Unique         2.78, 4.29 A)
 &rst
  ixpk= 1781, nxpk= 25, iat=1420,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   23 MET  HN           23 MET  HA          3.50    (#   1782:25  Unique         2.84, 2.85 A)
 &rst
  ixpk= 1782, nxpk= 25, iat= 380, 382, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 ASP  HB2          23 MET  HA          4.50    (#   1783:25  Unique         2.80, 2.82 A)
 &rst
  ixpk= 1783, nxpk= 25, iat= 426, 382, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1784    23 MET  HA          4.50    (#   1784:25  Single Ambig)
 &rst
  ixpk= 1784, nxpk= 25, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 375, 376, 397,
 &end
#
#   23 MET  HG+          23 MET  HA          3.50    (#   1785:25  Unique         2.55, 2.91 A)
 &rst
  ixpk= 1785, nxpk= 25, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 387, 388,
 &end
#
#   23 MET  HG-          23 MET  HA          2.80    (#   1786:25  Unique         2.55, 2.91 A)
 &rst
  ixpk= 1786, nxpk= 25, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 387, 388,
 &end
#
#   75 THR  HN           74 VAL  QG+         2.80    (#   1788:25  Unique         2.59, 4.12 A)
 &rst
  ixpk= 1788, nxpk= 25, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    4 TYR  QD           74 VAL  QG+         4.50    (#   1789:25  Unique         4.92, 7.00 A)
 &rst
  ixpk= 1789, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  65,  74,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    6 ILE  HA           74 VAL  QG+         4.50    (#   1791:25  Unique         3.71, 5.27 A)
 &rst
  ixpk= 1791, nxpk= 25, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   74 VAL  HA           74 VAL  QG+         3.50    (#   1792:25  Unique         2.50, 3.34 A)
 &rst
  ixpk= 1792, nxpk= 25, iat=1166,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    4 TYR  HB3          74 VAL  QG+         4.50    (#   1794:25  Unique         3.80, 5.69 A)
 &rst
  ixpk= 1794, nxpk= 25, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   76 GLU  QG           74 VAL  QG+         4.50    (#   1795:25  Unique         2.64, 5.80 A)
 &rst
  ixpk= 1795, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1201,1202,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   74 VAL  HB           74 VAL  QG+         2.80    (#   1796:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1796, nxpk= 25, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   57 VAL  QG+          74 VAL  QG+         3.50    (#   1797:25  Unique         2.60, 5.46 A)
 &rst
  ixpk= 1797, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 920, 921, 922, 924, 925, 926,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    0 AMB  25-3:1798     0 AMB  25-1:1798   2.80    (#   1798:25  Double Ambig)
 &rst
  ixpk= 1798, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 112, 113, 115, 116, 117,
 igr2=1170,1171,1172,1174,1175,1176,1170,1171,1172,1174,
      1175,1176,
 &end
#
#    0 AMB  25-3:1799     0 AMB  25-1:1799   3.50    (#   1799:25  Double Ambig)
 &rst
  ixpk= 1799, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 108, 109, 110,1144,1145,
 igr2=1170,1171,1172,1174,1175,1176,1170,1171,1172,1174,
      1175,1176,
 &end
#
#   90 TYR  HN           89 VAL  QG-         4.50    (#   1806:25  Unique         2.78, 4.29 A)
 &rst
  ixpk= 1806, nxpk= 25, iat=1420,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   89 VAL  HN           89 VAL  QG-         2.80    (#   1807:25  Unique         2.42, 3.93 A)
 &rst
  ixpk= 1807, nxpk= 25, iat=1404,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   34 VAL  HN           89 VAL  QG-         3.50    (#   1808:25  Unique         3.09, 5.58 A)
 &rst
  ixpk= 1808, nxpk= 25, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   33 TRP  HD1          89 VAL  QG-         5.50    (#   1809:25  Unique         4.04, 6.15 A)
 &rst
  ixpk= 1809, nxpk= 25, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#    0 AMB  25-3:1810    89 VAL  QG-         3.50    (#   1810:25  Single Ambig)
 &rst
  ixpk= 1810, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1387,1443,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   89 VAL  HA           89 VAL  QG-         2.80    (#   1811:25  Unique         2.48, 3.17 A)
 &rst
  ixpk= 1811, nxpk= 25, iat=1406,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   87 SER  HB2          89 VAL  QG-         5.50    (#   1812:25  Unique         3.43, 5.84 A)
 &rst
  ixpk= 1812, nxpk= 25, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   33 TRP  HB+          89 VAL  QG-         3.50    (#   1813:25  Unique         2.22, 5.16 A)
 &rst
  ixpk= 1813, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 542, 543,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   33 TRP  HB-          89 VAL  QG-         3.50    (#   1814:25  Unique         2.22, 5.16 A)
 &rst
  ixpk= 1814, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 542, 543,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   89 VAL  HB           89 VAL  QG-         2.80    (#   1816:25  Unique         2.44, 2.67 A)
 &rst
  ixpk= 1816, nxpk= 25, iat=1408,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   35 LYS  HB3          89 VAL  QG-         3.50    (#   1817:25  Unique         2.43, 3.62 A)
 &rst
  ixpk= 1817, nxpk= 25, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#    0 AMB  25-3:1818    89 VAL  QG-         4.50    (#   1818:25  Single Ambig)
 &rst
  ixpk= 1818, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 588, 589, 568, 569, 570, 572, 573, 574,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#    0 AMB  25-3:1819    89 VAL  QG-         3.50    (#   1819:25  Single Ambig)
 &rst
  ixpk= 1819, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 588, 589, 568, 569, 570, 572, 573, 574,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   33 TRP  HA           89 VAL  QG-         5.50    (#   1822:25  Unique         4.00, 6.59 A)
 &rst
  ixpk= 1822, nxpk= 25, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   35 LYS  HG+          89 VAL  QG-         5.50    (#   1823:25  Unique         4.60, 6.04 A)
 &rst
  ixpk= 1823, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 585, 586,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   74 VAL  HN           74 VAL  QG+         4.50    (#   1826:25  Unique         2.00, 4.06 A)
 &rst
  ixpk= 1826, nxpk= 25, iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    4 TYR  HA           74 VAL  QG+         4.50    (#   1827:25  Unique         4.73, 6.74 A)
 &rst
  ixpk= 1827, nxpk= 25, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   73 SER  HA           74 VAL  QG+         5.50    (#   1829:25  Unique         3.21, 5.41 A)
 &rst
  ixpk= 1829, nxpk= 25, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   87 SER  HB3          89 VAL  QG-         5.50    (#   1830:25  Unique         3.47, 5.61 A)
 &rst
  ixpk= 1830, nxpk= 25, iat=1379,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   25 ALA  HN           24 GLU  HA          4.50    (#   1832:25  Unique         3.55, 3.59 A)
 &rst
  ixpk= 1832, nxpk= 25, iat= 412, 399, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LYS  HE-          24 GLU  HA          5.50    (#   1833:25  Unique         2.30, 3.69 A)
 &rst
  ixpk= 1833, nxpk= 25, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 447, 448,
 &end
#
#   24 GLU  HB3          24 GLU  HA          3.50    (#   1834:25  Unique         2.47, 2.54 A)
 &rst
  ixpk= 1834, nxpk= 25, iat= 402, 399, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 GLU  HG-          24 GLU  HA          5.50    (#   1835:25  Unique         2.88, 3.40 A)
 &rst
  ixpk= 1835, nxpk= 25, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 404, 405,
 &end
#
#   56 PHE  QD           53 LEU  HA          5.50    (#   1841:25  Unique         2.98, 4.43 A)
 &rst
  ixpk= 1841, nxpk= 25, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 902, 910,
 &end
#
#    0 AMB  25-3:1842    53 LEU  HA          4.50    (#   1842:25  Single Ambig)
 &rst
  ixpk= 1842, nxpk= 25, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 854, 766, 767, 768,
 &end
#
#   56 PHE  HB2          53 LEU  HA          4.50    (#   1844:25  Unique         2.06, 2.67 A)
 &rst
  ixpk= 1844, nxpk= 25, iat= 898, 849, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 VAL  QG+          53 LEU  HA          5.50    (#   1845:25  Unique         3.92, 6.53 A)
 &rst
  ixpk= 1845, nxpk= 25, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#   53 LEU  HB3          53 LEU  HA          3.50    (#   1846:25  Unique         2.48, 2.54 A)
 &rst
  ixpk= 1846, nxpk= 25, iat= 852, 849, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LEU  QD-          53 LEU  HA          5.50    (#   1847:25  Unique         2.23, 3.79 A)
 &rst
  ixpk= 1847, nxpk= 25, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   30 LEU  QD+          53 LEU  HA          3.50    (#   1848:25  Unique         2.97, 4.86 A)
 &rst
  ixpk= 1848, nxpk= 25, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   56 PHE  HN           53 LEU  HA          4.50    (#   1849:25  Unique         2.84, 3.29 A)
 &rst
  ixpk= 1849, nxpk= 25, iat= 894, 849, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  HN           53 LEU  HA          4.50    (#   1850:25  Unique         2.77, 2.80 A)
 &rst
  ixpk= 1850, nxpk= 25, iat= 847, 849, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 PHE  HB3          53 LEU  HA          3.50    (#   1851:25  Unique         2.28, 2.90 A)
 &rst
  ixpk= 1851, nxpk= 25, iat= 899, 849, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LEU  QD+          53 LEU  HA          4.50    (#   1852:25  Unique         2.23, 3.79 A)
 &rst
  ixpk= 1852, nxpk= 25, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   49 PRO  HB+          52 ALA  QB          5.50    (#   1854:25  Unique         3.96, 5.22 A)
 &rst
  ixpk= 1854, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 801, 802,
 igr2= 841, 842, 843,
 &end
#
#   30 LEU  HB2          52 ALA  QB          5.50    (#   1856:25  Unique         6.59, 7.74 A)
 &rst
  ixpk= 1856, nxpk= 25, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 841, 842, 843,
 &end
#
#   53 LEU  QD+          52 ALA  QB          5.50    (#   1857:25  Unique         3.46, 6.71 A)
 &rst
  ixpk= 1857, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2= 841, 842, 843,
 &end
#
#   53 LEU  HN           52 ALA  QB          2.80    (#   1859:25  Unique         2.56, 3.49 A)
 &rst
  ixpk= 1859, nxpk= 25, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 841, 842, 843,
 &end
#
#   52 ALA  HN           52 ALA  QB          2.80    (#   1861:25  Unique         2.48, 2.96 A)
 &rst
  ixpk= 1861, nxpk= 25, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 841, 842, 843,
 &end
#
#   52 ALA  HA           52 ALA  QB          2.80    (#   1862:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 1862, nxpk= 25, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 841, 842, 843,
 &end
#
#   49 PRO  HD+          52 ALA  QB          3.50    (#   1864:25  Unique         2.63, 4.51 A)
 &rst
  ixpk= 1864, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 795, 796,
 igr2= 841, 842, 843,
 &end
#
#   49 PRO  HD-          52 ALA  QB          3.50    (#   1865:25  Unique         2.63, 4.51 A)
 &rst
  ixpk= 1865, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 795, 796,
 igr2= 841, 842, 843,
 &end
#
#    0 AMB  25-3:1866    52 ALA  QB          5.50    (#   1866:25  Single Ambig)
 &rst
  ixpk= 1866, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 466, 467, 447, 448,
 igr2= 841, 842, 843,
 &end
#
#   49 PRO  HG+          52 ALA  QB          3.50    (#   1867:25  Unique         2.24, 3.58 A)
 &rst
  ixpk= 1867, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 798, 799,
 igr2= 841, 842, 843,
 &end
#
#    0 AMB  25-3:1868    52 ALA  QB          2.80    (#   1868:25  Single Ambig)
 &rst
  ixpk= 1868, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 461, 801, 802,
 igr2= 841, 842, 843,
 &end
#
#   30 LEU  QD-          52 ALA  QB          2.80    (#   1869:25  Unique         2.79, 5.25 A)
 &rst
  ixpk= 1869, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 841, 842, 843,
 &end
#
#    0 AMB  25-3:1870    52 ALA  QB          4.50    (#   1870:25  Single Ambig)
 &rst
  ixpk= 1870, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 789, 790, 887, 888,
 igr2= 841, 842, 843,
 &end
#
#   30 LEU  QD+          52 ALA  QB          4.50    (#   1871:25  Unique         2.79, 5.25 A)
 &rst
  ixpk= 1871, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 841, 842, 843,
 &end
#
#   81 GLU  HG+          81 GLU  HA          3.50    (#   1876:25  Unique         2.28, 3.00 A)
 &rst
  ixpk= 1876, nxpk= 25, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1281,1282,
 &end
#
#   81 GLU  QB           81 GLU  HA          2.80    (#   1877:25  Unique         2.38, 2.78 A)
 &rst
  ixpk= 1877, nxpk= 25, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1278,1279,
 &end
#
#   28 ARG  HN           29 LYS  HA          5.50    (#   1880:25  Unique         4.28, 4.38 A)
 &rst
  ixpk= 1880, nxpk= 25, iat= 456, 482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 LYS  QB           29 LYS  HA          2.80    (#   1881:25  Unique         2.42, 2.75 A)
 &rst
  ixpk= 1881, nxpk= 25, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 484, 485,
 &end
#
#   29 LYS  QG           29 LYS  HA          3.50    (#   1882:25  Unique         2.39, 2.96 A)
 &rst
  ixpk= 1882, nxpk= 25, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 487, 488,
 &end
#
#   29 LYS  HN           29 LYS  HA          2.80    (#   1883:25  Unique         2.22, 2.23 A)
 &rst
  ixpk= 1883, nxpk= 25, iat= 480, 482, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 LEU  HN           29 LYS  HA          4.50    (#   1884:25  Unique         2.63, 2.68 A)
 &rst
  ixpk= 1884, nxpk= 25, iat= 502, 482, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 GLY  HN           81 GLU  HA          5.50    (#   1885:25  Unique         2.11, 2.38 A)
 &rst
  ixpk= 1885, nxpk= 25, iat=1289,1276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1889     0 AMB  25-1:1889   3.50    (#   1889:25  Double Ambig)
 &rst
  ixpk= 1889, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 201,1094,
 igr2= 205, 206, 207, 209, 210, 211, 245, 246, 247, 249,
       250, 251,
 &end
#
#   17 PHE  QD            0 AMB  25-1:1892   5.50    (#   1892:25  Single Ambig)
 &rst
  ixpk= 1892, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 270, 278,
 igr2= 205, 206, 207, 209, 210, 211, 245, 246, 247, 249,
       250, 251,
 &end
#
#    0 AMB  25-3:1893    15 VAL  QG-         3.50    (#   1893:25  Single Ambig)
 &rst
  ixpk= 1893, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 266, 267,1043,1044,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#    0 AMB  25-3:1894     0 AMB  25-1:1894   2.80    (#   1894:25  Double Ambig)
 &rst
  ixpk= 1894, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 243, 222, 223,
 igr2= 245, 246, 247, 249, 250, 251, 205, 206, 207, 209,
       210, 211,
 &end
#
#    6 ILE  HN            6 ILE  QG2         5.50    (#   1895:25  Unique         4.24, 4.67 A)
 &rst
  ixpk= 1895, nxpk= 25, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 108, 109, 110,
 &end
#
#    6 ILE  HG1+          6 ILE  QG2         3.50    (#   1896:25  Unique         2.54, 3.60 A)
 &rst
  ixpk= 1896, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 112, 113,
 igr2= 108, 109, 110,
 &end
#
#   72 ILE  HG1+          6 ILE  QG2         4.50    (#   1897:25  Unique         2.35, 3.21 A)
 &rst
  ixpk= 1897, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1144,1145,
 igr2= 108, 109, 110,
 &end
#
#   74 VAL  QG+           6 ILE  QG2         5.50    (#   1898:25  Unique         2.33, 5.52 A)
 &rst
  ixpk= 1898, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 108, 109, 110,
 &end
#
#   72 ILE  HA            6 ILE  QG2         5.50    (#   1899:25  Unique         4.53, 5.06 A)
 &rst
  ixpk= 1899, nxpk= 25, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 108, 109, 110,
 &end
#
#    8 VAL  HN            7 ILE  QG2         3.50    (#   1900:25  Unique         2.54, 3.25 A)
 &rst
  ixpk= 1900, nxpk= 25, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 127, 128, 129,
 &end
#
#    7 ILE  HN            7 ILE  QG2         5.50    (#   1901:25  Unique         4.32, 4.70 A)
 &rst
  ixpk= 1901, nxpk= 25, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 127, 128, 129,
 &end
#
#   42 VAL  HN            7 ILE  QG2         3.50    (#   1902:25  Unique         3.79, 4.49 A)
 &rst
  ixpk= 1902, nxpk= 25, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 127, 128, 129,
 &end
#
#   43 GLU  HA            7 ILE  QG2         4.50    (#   1903:25  Unique         3.20, 4.64 A)
 &rst
  ixpk= 1903, nxpk= 25, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 127, 128, 129,
 &end
#
#    7 ILE  HA            7 ILE  QG2         2.80    (#   1904:25  Unique         2.35, 3.09 A)
 &rst
  ixpk= 1904, nxpk= 25, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 127, 128, 129,
 &end
#
#    0 AMB  25-3:1905     7 ILE  QG2         4.50    (#   1905:25  Single Ambig)
 &rst
  ixpk= 1905, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 142, 695,
 igr2= 127, 128, 129,
 &end
#
#   73 SER  QB            7 ILE  QG2         4.50    (#   1906:25  Unique         3.96, 5.49 A)
 &rst
  ixpk= 1906, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1157,1158,
 igr2= 127, 128, 129,
 &end
#
#    0 AMB  25-3:1907     7 ILE  QG2         2.80    (#   1907:25  Single Ambig)
 &rst
  ixpk= 1907, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 679, 680, 624, 625,
 igr2= 127, 128, 129,
 &end
#
#   43 GLU  HB-           7 ILE  QG2         3.50    (#   1909:25  Unique         2.93, 5.56 A)
 &rst
  ixpk= 1909, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 713, 714,
 igr2= 127, 128, 129,
 &end
#
#    0 AMB  25-3:1910     7 ILE  QG2         2.80    (#   1910:25  Single Ambig)
 &rst
  ixpk= 1910, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 673, 674, 125,
 igr2= 127, 128, 129,
 &end
#
#   41 ARG  HG+           7 ILE  QG2         2.80    (#   1911:25  Unique         2.24, 3.36 A)
 &rst
  ixpk= 1911, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 676, 677,
 igr2= 127, 128, 129,
 &end
#
#    7 ILE  HG1-          7 ILE  QG2         2.80    (#   1912:25  Unique         2.26, 3.29 A)
 &rst
  ixpk= 1912, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 131, 132,
 igr2= 127, 128, 129,
 &end
#
#   43 GLU  HB+           7 ILE  QG2         5.50    (#   1913:25  Unique         2.93, 5.56 A)
 &rst
  ixpk= 1913, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 713, 714,
 igr2= 127, 128, 129,
 &end
#
#   67 SER  HA           15 VAL  QG-         2.80    (#   1914:25  Unique         2.15, 3.46 A)
 &rst
  ixpk= 1914, nxpk= 25, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#    6 ILE  HN           44 ILE  QG2         5.50    (#   1915:25  Unique         4.61, 5.45 A)
 &rst
  ixpk= 1915, nxpk= 25, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 730, 731, 732,
 &end
#
#    0 AMB  25-3:1916     6 ILE  QG2         5.50    (#   1916:25  Single Ambig)
 &rst
  ixpk= 1916, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 724, 140,
 igr2= 108, 109, 110,
 &end
#
#    7 ILE  HN            6 ILE  QG2         2.80    (#   1917:25  Unique         2.71, 3.27 A)
 &rst
  ixpk= 1917, nxpk= 25, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 108, 109, 110,
 &end
#
#   73 SER  HN            6 ILE  QG2         4.50    (#   1918:25  Unique         3.27, 4.15 A)
 &rst
  ixpk= 1918, nxpk= 25, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 108, 109, 110,
 &end
#
#    6 ILE  HA            6 ILE  QG2         2.80    (#   1919:25  Unique         2.74, 3.32 A)
 &rst
  ixpk= 1919, nxpk= 25, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 108, 109, 110,
 &end
#
#    8 VAL  HB            6 ILE  QG2         5.50    (#   1920:25  Unique         4.83, 5.93 A)
 &rst
  ixpk= 1920, nxpk= 25, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 108, 109, 110,
 &end
#
#    6 ILE  HB            6 ILE  QG2         2.80    (#   1921:25  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1921, nxpk= 25, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 108, 109, 110,
 &end
#
#   57 VAL  QG+           6 ILE  QG2         3.50    (#   1922:25  Unique         3.26, 5.69 A)
 &rst
  ixpk= 1922, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 920, 921, 922, 924, 925, 926,
 igr2= 108, 109, 110,
 &end
#
#    0 AMB  25-3:1923     6 ILE  QG2         2.80    (#   1923:25  Single Ambig)
 &rst
  ixpk= 1923, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1170,1171,1172,1174,1175,1176, 961, 962, 963,
 igr2= 108, 109, 110,
 &end
#
#   60 VAL  QG2           6 ILE  QG2         5.50    (#   1924:25  Unique         4.12, 6.07 A)
 &rst
  ixpk= 1924, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 965, 966, 967,
 igr2= 108, 109, 110,
 &end
#
#   74 VAL  HA            6 ILE  QG2         5.50    (#   1926:25  Unique         3.08, 4.24 A)
 &rst
  ixpk= 1926, nxpk= 25, iat=1166,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 108, 109, 110,
 &end
#
#    5 ARG  HG+           7 ILE  QG2         5.50    (#   1927:25  Unique         6.58, 8.33 A)
 &rst
  ixpk= 1927, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  85,  86,
 igr2= 127, 128, 129,
 &end
#
#   13 GLN  HG-          12 VAL  QG-         5.50    (#   1928:25  Unique         2.71, 6.33 A)
 &rst
  ixpk= 1928, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 222, 223,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#    0 AMB  25-3:1929    12 VAL  QG-         2.80    (#   1929:25  Single Ambig)
 &rst
  ixpk= 1929, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 168, 693,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   13 GLN  HN           15 VAL  QG-         3.50    (#   1930:25  Unique         2.45, 4.30 A)
 &rst
  ixpk= 1930, nxpk= 25, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#    0 AMB  25-3:1932    12 VAL  QG-         2.80    (#   1932:25  Single Ambig)
 &rst
  ixpk= 1932, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 227, 228, 199,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#    9 ASP  HA           12 VAL  QG-         4.50    (#   1933:25  Unique         2.60, 4.15 A)
 &rst
  ixpk= 1933, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   12 VAL  HB           12 VAL  QG-         2.80    (#   1935:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1935, nxpk= 25, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   42 VAL  QG+          12 VAL  QG-         2.80    (#   1936:25  Unique         2.24, 5.86 A)
 &rst
  ixpk= 1936, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 699, 700, 701, 703, 704, 705,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#    8 VAL  QG+          12 VAL  QG-         2.80    (#   1937:25  Unique         2.14, 5.69 A)
 &rst
  ixpk= 1937, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 146, 147, 148, 150, 151, 152,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   64 SER  HB-          64 SER  HA          3.50    (#   1939:25  Unique         2.23, 2.51 A)
 &rst
  ixpk= 1939, nxpk= 25, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1018,1019,
 &end
#
#   65 PRO  HD-          64 SER  HA          3.50    (#   1940:25  Unique         2.10, 2.51 A)
 &rst
  ixpk= 1940, nxpk= 25, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1026,1027,
 &end
#
#   46 ALA  HN           44 ILE  QG2         5.50    (#   1941:25  Unique         3.66, 4.73 A)
 &rst
  ixpk= 1941, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 730, 731, 732,
 &end
#
#   33 TRP  HN           44 ILE  QG2         5.50    (#   1942:25  Unique         4.09, 4.84 A)
 &rst
  ixpk= 1942, nxpk= 25, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 730, 731, 732,
 &end
#
#   45 LEU  HN           44 ILE  QG2         3.50    (#   1943:25  Unique         2.35, 3.10 A)
 &rst
  ixpk= 1943, nxpk= 25, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 730, 731, 732,
 &end
#
#   86 PHE  HZ           44 ILE  QG2         4.50    (#   1944:25  Unique         2.10, 2.95 A)
 &rst
  ixpk= 1944, nxpk= 25, iat=1366,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 730, 731, 732,
 &end
#
#   56 PHE  QD           44 ILE  QG2         4.50    (#   1945:25  Unique         5.43, 7.74 A)
 &rst
  ixpk= 1945, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 902, 910,
 igr2= 730, 731, 732,
 &end
#
#   44 ILE  HA           44 ILE  QG2         3.50    (#   1947:25  Unique         2.36, 3.05 A)
 &rst
  ixpk= 1947, nxpk= 25, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 730, 731, 732,
 &end
#
#   34 VAL  HB           44 ILE  QG2         3.50    (#   1948:25  Unique         2.44, 3.90 A)
 &rst
  ixpk= 1948, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 730, 731, 732,
 &end
#
#   44 ILE  HB           44 ILE  QG2         2.80    (#   1949:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 1949, nxpk= 25, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 730, 731, 732,
 &end
#
#   21 VAL  QG+          44 ILE  QG2         2.80    (#   1950:25  Unique         2.37, 4.71 A)
 &rst
  ixpk= 1950, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 353, 354, 355, 357, 358, 359,
 igr2= 730, 731, 732,
 &end
#
#    0 AMB  25-3:1951    44 ILE  QG2         4.50    (#   1951:25  Single Ambig)
 &rst
  ixpk= 1951, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1= 961, 962, 963, 752, 753, 754, 756, 757, 758,
 igr2= 730, 731, 732,
 &end
#
#   60 VAL  QG2          44 ILE  QG2         4.50    (#   1952:25  Unique         2.98, 4.93 A)
 &rst
  ixpk= 1952, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 965, 966, 967,
 igr2= 730, 731, 732,
 &end
#
#    0 AMB  25-3:1953    44 ILE  QG2         5.50    (#   1953:25  Single Ambig)
 &rst
  ixpk= 1953, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 724, 578,
 igr2= 730, 731, 732,
 &end
#
#   45 LEU  HA           44 ILE  QG2         4.50    (#   1954:25  Unique         3.33, 4.50 A)
 &rst
  ixpk= 1954, nxpk= 25, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 730, 731, 732,
 &end
#
#    0 AMB  25-3:1955    44 ILE  QG2         5.50    (#   1955:25  Single Ambig)
 &rst
  ixpk= 1955, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 351, 779, 780,
 igr2= 730, 731, 732,
 &end
#
#    0 AMB  25-3:1957    44 ILE  QG2         3.50    (#   1957:25  Single Ambig)
 &rst
  ixpk= 1957, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 115, 116, 117, 112, 113, 146, 147, 148, 150, 151,
       152,
 igr2= 730, 731, 732,
 &end
#
#    0 AMB  25-3:1958    88 ILE  QG2         2.80    (#   1958:25  Single Ambig)
 &rst
  ixpk= 1958, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1404,1385,
 igr2=1391,1392,1393,
 &end
#
#   90 TYR  QD           88 ILE  QG2         4.50    (#   1959:25  Unique         3.79, 6.90 A)
 &rst
  ixpk= 1959, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1428,1437,
 igr2=1391,1392,1393,
 &end
#
#   90 TYR  QE           88 ILE  QG2         4.50    (#   1960:25  Unique         5.85, 8.54 A)
 &rst
  ixpk= 1960, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1430,1435,
 igr2=1391,1392,1393,
 &end
#
#   88 ILE  HA           88 ILE  QG2         3.50    (#   1963:25  Unique         2.42, 3.15 A)
 &rst
  ixpk= 1963, nxpk= 25, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1391,1392,1393,
 &end
#
#   18 ARG  HA           88 ILE  QG2         5.50    (#   1964:25  Unique         4.67, 5.62 A)
 &rst
  ixpk= 1964, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1391,1392,1393,
 &end
#
#   18 ARG  HD-          88 ILE  QG2         3.50    (#   1965:25  Unique         2.19, 3.44 A)
 &rst
  ixpk= 1965, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 292, 293,
 igr2=1391,1392,1393,
 &end
#
#   18 ARG  HB+          88 ILE  QG2         4.50    (#   1966:25  Unique         2.28, 3.57 A)
 &rst
  ixpk= 1966, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 286, 287,
 igr2=1391,1392,1393,
 &end
#
#   22 GLN  HB3          88 ILE  QG2         5.50    (#   1967:25  Unique         5.53, 6.27 A)
 &rst
  ixpk= 1967, nxpk= 25, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1391,1392,1393,
 &end
#
#   88 ILE  HG1-         88 ILE  QG2         3.50    (#   1968:25  Unique         2.47, 3.50 A)
 &rst
  ixpk= 1968, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1395,1396,
 igr2=1391,1392,1393,
 &end
#
#   88 ILE  HB           88 ILE  QG2         2.80    (#   1969:25  Unique         2.38, 2.68 A)
 &rst
  ixpk= 1969, nxpk= 25, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1391,1392,1393,
 &end
#
#   34 VAL  QG+          88 ILE  QG2         4.50    (#   1970:25  Unique         2.63, 5.65 A)
 &rst
  ixpk= 1970, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 568, 569, 570, 572, 573, 574,
 igr2=1391,1392,1393,
 &end
#
#   34 VAL  QG-          88 ILE  QG2         4.50    (#   1971:25  Unique         2.63, 5.65 A)
 &rst
  ixpk= 1971, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 568, 569, 570, 572, 573, 574,
 igr2=1391,1392,1393,
 &end
#
#   88 ILE  QD1          88 ILE  QG2         2.80    (#   1972:25  Unique         2.18, 3.85 A)
 &rst
  ixpk= 1972, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1398,1399,1400,
 igr2=1391,1392,1393,
 &end
#
#   88 ILE  HG1+         88 ILE  QG2         2.80    (#   1973:25  Unique         2.47, 3.50 A)
 &rst
  ixpk= 1973, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1395,1396,
 igr2=1391,1392,1393,
 &end
#
#   18 ARG  HD+          88 ILE  QG2         4.50    (#   1974:25  Unique         2.19, 3.44 A)
 &rst
  ixpk= 1974, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 292, 293,
 igr2=1391,1392,1393,
 &end
#
#   49 PRO  HA            1 MET  HA          3.50    (#   1977:25  Unique         2.08, 2.36 A)
 &rst
  ixpk= 1977, nxpk= 25, iat= 804,   6, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    1 MET  HB-           1 MET  HA          3.50    (#   1978:25  Unique         2.42, 2.77 A)
 &rst
  ixpk= 1978, nxpk= 25, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=   8,   9,
 &end
#
#    2 LEU  HN            1 MET  HA          2.80    (#   1979:25  Unique         2.31, 2.45 A)
 &rst
  ixpk= 1979, nxpk= 25, iat=  21,   6, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    1 MET  HG-           1 MET  HA          4.50    (#   1981:25  Unique         2.44, 3.05 A)
 &rst
  ixpk= 1981, nxpk= 25, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  11,  12,
 &end
#
#    1 MET  HB+           1 MET  HA          3.50    (#   1982:25  Unique         2.42, 2.77 A)
 &rst
  ixpk= 1982, nxpk= 25, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=   8,   9,
 &end
#
#   80 LEU  QD-           1 MET  HA          5.50    (#   1983:25  Unique         5.16, 8.19 A)
 &rst
  ixpk= 1983, nxpk= 25, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1264,1265,1266,1268,1269,1270,
 &end
#
#   59 ALA  HN           59 ALA  HA          2.80    (#   1984:25  Unique         2.85, 2.86 A)
 &rst
  ixpk= 1984, nxpk= 25, iat= 945, 947, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   62 ASN  HN           59 ALA  HA          5.50    (#   1985:25  Unique         3.36, 3.45 A)
 &rst
  ixpk= 1985, nxpk= 25, iat= 993, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 ASN  QB           59 ALA  HA          4.50    (#   1986:25  Unique         2.91, 3.22 A)
 &rst
  ixpk= 1986, nxpk= 25, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 997, 998,
 &end
#
#   59 ALA  QB           59 ALA  HA          2.80    (#   1987:25  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1987, nxpk= 25, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 949, 950, 951,
 &end
#
#   60 VAL  HN           59 ALA  HA          4.50    (#   1988:25  Unique         3.60, 3.61 A)
 &rst
  ixpk= 1988, nxpk= 25, iat= 955, 947, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LEU  HN           25 ALA  HA          4.50    (#   1990:25  Unique         3.14, 3.59 A)
 &rst
  ixpk= 1990, nxpk= 25, iat= 502, 414, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLN  HN           25 ALA  QB          5.50    (#   1992:25  Unique         4.98, 5.86 A)
 &rst
  ixpk= 1992, nxpk= 25, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
#   22 GLN  HE2+         25 ALA  QB          5.50    (#   1993:25  Unique         6.05, 7.50 A)
 &rst
  ixpk= 1993, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 375, 376,
 igr2= 416, 417, 418,
 &end
#
#   30 LEU  HN           25 ALA  QB          5.50    (#   1994:25  Unique         3.56, 4.54 A)
 &rst
  ixpk= 1994, nxpk= 25, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
#   26 ASP  HB2          25 ALA  QB          5.50    (#   1995:25  Unique         3.88, 5.12 A)
 &rst
  ixpk= 1995, nxpk= 25, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
#   21 VAL  QG+          25 ALA  QB          3.50    (#   1997:25  Unique         3.83, 6.87 A)
 &rst
  ixpk= 1997, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 353, 354, 355, 357, 358, 359,
 igr2= 416, 417, 418,
 &end
#
#   26 ASP  HN           25 ALA  QB          2.80    (#   1999:25  Unique         2.52, 3.38 A)
 &rst
  ixpk= 1999, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 416, 417, 418,
 &end
#
#   25 ALA  HN           25 ALA  QB          2.80    (#   2000:25  Unique         2.41, 2.90 A)
 &rst
  ixpk= 2000, nxpk= 25, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 416, 417, 418,
 &end
#
#    0 AMB  25-3:2001    25 ALA  QB          5.50    (#   2001:25  Single Ambig)
 &rst
  ixpk= 2001, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 521, 434, 480,
 igr2= 416, 417, 418,
 &end
#
#    0 AMB  25-3:2002    25 ALA  QB          3.50    (#   2002:25  Single Ambig)
 &rst
  ixpk= 2002, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 904, 908,1366,
 igr2= 416, 417, 418,
 &end
#
#   56 PHE  QD           25 ALA  QB          4.50    (#   2003:25  Unique         4.43, 6.71 A)
 &rst
  ixpk= 2003, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 902, 910,
 igr2= 416, 417, 418,
 &end
#
#   86 PHE  QD           25 ALA  QB          3.50    (#   2004:25  Unique         2.70, 3.86 A)
 &rst
  ixpk= 2004, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1362,1370,
 igr2= 416, 417, 418,
 &end
#
#   22 GLN  HA           25 ALA  QB          5.50    (#   2005:25  Unique         2.41, 3.40 A)
 &rst
  ixpk= 2005, nxpk= 25, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
#   25 ALA  HA           25 ALA  QB          2.80    (#   2006:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 2006, nxpk= 25, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 416, 417, 418,
 &end
#
#   86 PHE  HB2          25 ALA  QB          4.50    (#   2007:25  Unique         2.52, 3.47 A)
 &rst
  ixpk= 2007, nxpk= 25, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 416, 417, 418,
 &end
#
#   30 LEU  HG           25 ALA  QB          4.50    (#   2010:25  Unique         3.78, 4.71 A)
 &rst
  ixpk= 2010, nxpk= 25, iat= 509,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 416, 417, 418,
 &end
#
#   30 LEU  HB2          25 ALA  QB          2.80    (#   2011:25  Unique         2.17, 3.15 A)
 &rst
  ixpk= 2011, nxpk= 25, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 416, 417, 418,
 &end
#
#   30 LEU  HB3          25 ALA  QB          3.50    (#   2012:25  Unique         3.55, 4.56 A)
 &rst
  ixpk= 2012, nxpk= 25, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 416, 417, 418,
 &end
#
#    0 AMB  25-3:2013    25 ALA  HA          3.50    (#   2013:25  Single Ambig)
 &rst
  ixpk= 2013, nxpk= 25, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 902, 910, 456,
 &end
#
#   30 LEU  HB2          25 ALA  HA          3.50    (#   2014:25  Unique         2.33, 2.64 A)
 &rst
  ixpk= 2014, nxpk= 25, iat= 506, 414, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 ALA  QB           25 ALA  HA          2.80    (#   2015:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 2015, nxpk= 25, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 416, 417, 418,
 &end
#
#   56 PHE  QE           25 ALA  HA          4.50    (#   2016:25  Unique         2.09, 4.63 A)
 &rst
  ixpk= 2016, nxpk= 25, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 904, 908,
 &end
#
#   25 ALA  HN           25 ALA  HA          3.50    (#   2019:25  Unique         2.80, 2.86 A)
 &rst
  ixpk= 2019, nxpk= 25, iat= 412, 414, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  HG           25 ALA  HA          5.50    (#   2020:25  Unique         2.21, 2.75 A)
 &rst
  ixpk= 2020, nxpk= 25, iat= 509, 414, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 SER  HN           72 ILE  QG2         4.50    (#   2022:25  Unique         4.39, 4.97 A)
 &rst
  ixpk= 2022, nxpk= 25, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1140,1141,1142,
 &end
#
#   61 LYS  HA           72 ILE  QG2         4.50    (#   2023:25  Unique         3.07, 4.62 A)
 &rst
  ixpk= 2023, nxpk= 25, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1140,1141,1142,
 &end
#
#   61 LYS  HB+          72 ILE  QG2         3.50    (#   2025:25  Unique         2.24, 3.48 A)
 &rst
  ixpk= 2025, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 975, 976,
 igr2=1140,1141,1142,
 &end
#
#   72 ILE  HN           72 ILE  QG2         3.50    (#   2030:25  Unique         2.55, 3.38 A)
 &rst
  ixpk= 2030, nxpk= 25, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1140,1141,1142,
 &end
#
#   72 ILE  HA           72 ILE  QG2         3.50    (#   2031:25  Unique         3.18, 3.96 A)
 &rst
  ixpk= 2031, nxpk= 25, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1140,1141,1142,
 &end
#
#   69 VAL  HB           72 ILE  QG2         5.50    (#   2033:25  Unique         4.66, 6.50 A)
 &rst
  ixpk= 2033, nxpk= 25, iat=1096,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1140,1141,1142,
 &end
#
#    0 AMB  25-3:2035    72 ILE  QG2         2.80    (#   2035:25  Single Ambig)
 &rst
  ixpk= 2035, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1138, 981, 982,
 igr2=1140,1141,1142,
 &end
#
#    4 TYR  QD            6 ILE  QD1         3.50    (#   2036:25  Unique         2.85, 4.02 A)
 &rst
  ixpk= 2036, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  65,  74,
 igr2= 115, 116, 117,
 &end
#
#    0 AMB  25-3:2037     6 ILE  QD1         4.50    (#   2037:25  Single Ambig)
 &rst
  ixpk= 2037, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 104,  80,
 igr2= 115, 116, 117,
 &end
#
#    4 TYR  HB3           6 ILE  QD1         4.50    (#   2038:25  Unique         2.93, 3.98 A)
 &rst
  ixpk= 2038, nxpk= 25, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 115, 116, 117,
 &end
#
#    6 ILE  HB            6 ILE  QD1         2.80    (#   2040:25  Unique         2.61, 3.34 A)
 &rst
  ixpk= 2040, nxpk= 25, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 115, 116, 117,
 &end
#
#    6 ILE  HG1+          6 ILE  QD1         2.80    (#   2041:25  Unique         2.27, 2.64 A)
 &rst
  ixpk= 2041, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 112, 113,
 igr2= 115, 116, 117,
 &end
#
#   57 VAL  QG+           6 ILE  QD1         2.80    (#   2042:25  Unique         2.23, 3.56 A)
 &rst
  ixpk= 2042, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 920, 921, 922, 924, 925, 926,
 igr2= 115, 116, 117,
 &end
#
#   74 VAL  QG+           6 ILE  QD1         3.50    (#   2044:25  Unique         2.30, 4.49 A)
 &rst
  ixpk= 2044, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 115, 116, 117,
 &end
#
#    4 TYR  HB2           6 ILE  QD1         5.50    (#   2045:25  Unique         2.23, 3.28 A)
 &rst
  ixpk= 2045, nxpk= 25, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 115, 116, 117,
 &end
#
#   53 LEU  QD+           6 ILE  QD1         5.50    (#   2047:25  Unique         4.98, 7.71 A)
 &rst
  ixpk= 2047, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2= 115, 116, 117,
 &end
#
#    0 AMB  25-3:2048    44 ILE  QD1         5.50    (#   2048:25  Single Ambig)
 &rst
  ixpk= 2048, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 713, 714, 351,
 igr2= 737, 738, 739,
 &end
#
#   17 PHE  QD           44 ILE  QD1         5.50    (#   2049:25  Unique         4.36, 6.87 A)
 &rst
  ixpk= 2049, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 270, 278,
 igr2= 737, 738, 739,
 &end
#
#    0 AMB  25-3:2050    44 ILE  QD1         5.50    (#   2050:25  Single Ambig)
 &rst
  ixpk= 2050, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  65,  74,1366,
 igr2= 737, 738, 739,
 &end
#
#   44 ILE  HA           44 ILE  QD1         5.50    (#   2052:25  Unique         3.73, 4.37 A)
 &rst
  ixpk= 2052, nxpk= 25, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 737, 738, 739,
 &end
#
#    0 AMB  25-3:2053    44 ILE  QD1         3.50    (#   2053:25  Single Ambig)
 &rst
  ixpk= 2053, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 728, 106,
 igr2= 737, 738, 739,
 &end
#
#    0 AMB  25-3:2054    44 ILE  QD1         4.50    (#   2054:25  Single Ambig)
 &rst
  ixpk= 2054, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 112, 113, 203, 286, 287,
 igr2= 737, 738, 739,
 &end
#
#   34 VAL  QG+          44 ILE  QD1         3.50    (#   2055:25  Unique         3.49, 6.41 A)
 &rst
  ixpk= 2055, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 568, 569, 570, 572, 573, 574,
 igr2= 737, 738, 739,
 &end
#
#   60 VAL  QG2          44 ILE  QD1         3.50    (#   2056:25  Unique         3.79, 5.29 A)
 &rst
  ixpk= 2056, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 965, 966, 967,
 igr2= 737, 738, 739,
 &end
#
#   44 ILE  HN           44 ILE  QD1         3.50    (#   2057:25  Unique         2.45, 3.36 A)
 &rst
  ixpk= 2057, nxpk= 25, iat= 724,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 737, 738, 739,
 &end
#
#   17 PHE  HZ           44 ILE  QD1         4.50    (#   2058:25  Unique         3.07, 4.32 A)
 &rst
  ixpk= 2058, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 737, 738, 739,
 &end
#
#    0 AMB  25-3:2059    44 ILE  QD1         5.50    (#   2059:25  Single Ambig)
 &rst
  ixpk= 2059, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 716, 717, 566,
 igr2= 737, 738, 739,
 &end
#
#    0 AMB  25-3:2060    44 ILE  QD1         2.80    (#   2060:25  Single Ambig)
 &rst
  ixpk= 2060, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 734, 735, 699, 700, 701, 703, 704, 705,
 igr2= 737, 738, 739,
 &end
#
#   60 VAL  QG1          44 ILE  QD1         2.80    (#   2061:25  Unique         2.43, 3.66 A)
 &rst
  ixpk= 2061, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 961, 962, 963,
 igr2= 737, 738, 739,
 &end
#
#    6 ILE  HN            6 ILE  QD1         5.50    (#   2062:25  Unique         4.90, 5.34 A)
 &rst
  ixpk= 2062, nxpk= 25, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 115, 116, 117,
 &end
#
#   56 PHE  QD            6 ILE  QD1         4.50    (#   2064:25  Unique         6.23, 8.59 A)
 &rst
  ixpk= 2064, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 902, 910,
 igr2= 115, 116, 117,
 &end
#
#    0 AMB  25-3:2066    72 ILE  QD1         5.50    (#   2066:25  Single Ambig)
 &rst
  ixpk= 2066, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 955,1134,
 igr2=1147,1148,1149,
 &end
#
#   61 LYS  HN           72 ILE  QD1         4.50    (#   2067:25  Unique         3.26, 3.96 A)
 &rst
  ixpk= 2067, nxpk= 25, iat= 971,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1147,1148,1149,
 &end
#
#    8 VAL  HA           72 ILE  QD1         5.50    (#   2068:25  Unique         4.55, 5.34 A)
 &rst
  ixpk= 2068, nxpk= 25, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1147,1148,1149,
 &end
#
#   61 LYS  HA           72 ILE  QD1         3.50    (#   2070:25  Unique         2.58, 3.71 A)
 &rst
  ixpk= 2070, nxpk= 25, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1147,1148,1149,
 &end
#
#   57 VAL  HA           72 ILE  QD1         5.50    (#   2071:25  Unique         3.88, 4.71 A)
 &rst
  ixpk= 2071, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1147,1148,1149,
 &end
#
#   61 LYS  HB+          72 ILE  QD1         2.80    (#   2073:25  Unique         2.24, 3.46 A)
 &rst
  ixpk= 2073, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 975, 976,
 igr2=1147,1148,1149,
 &end
#
#   72 ILE  HB           72 ILE  QD1         2.80    (#   2074:25  Unique         2.47, 3.16 A)
 &rst
  ixpk= 2074, nxpk= 25, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1147,1148,1149,
 &end
#
#   72 ILE  HG1+         72 ILE  QD1         2.80    (#   2075:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 2075, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1144,1145,
 igr2=1147,1148,1149,
 &end
#
#   73 SER  HN           72 ILE  QD1         5.50    (#   2076:25  Unique         4.59, 4.95 A)
 &rst
  ixpk= 2076, nxpk= 25, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1147,1148,1149,
 &end
#
#   72 ILE  HA           72 ILE  QD1         5.50    (#   2077:25  Unique         4.24, 4.61 A)
 &rst
  ixpk= 2077, nxpk= 25, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1147,1148,1149,
 &end
#
#   19 TYR  HB+          88 ILE  QD1         4.50    (#   2081:25  Unique         3.47, 5.01 A)
 &rst
  ixpk= 2081, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 310, 311,
 igr2=1398,1399,1400,
 &end
#
#    0 AMB  25-3:2082    88 ILE  QD1         4.50    (#   2082:25  Single Ambig)
 &rst
  ixpk= 2082, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1385,1404,
 igr2=1398,1399,1400,
 &end
#
#   19 TYR  QD           88 ILE  QD1         4.50    (#   2084:25  Unique         2.70, 5.27 A)
 &rst
  ixpk= 2084, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 314, 323,
 igr2=1398,1399,1400,
 &end
#
#   19 TYR  HA           88 ILE  QD1         2.80    (#   2086:25  Unique         2.26, 3.19 A)
 &rst
  ixpk= 2086, nxpk= 25, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1398,1399,1400,
 &end
#
#   22 GLN  QG           88 ILE  QD1         3.50    (#   2087:25  Unique         2.41, 4.01 A)
 &rst
  ixpk= 2087, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 370, 371,
 igr2=1398,1399,1400,
 &end
#
#   22 GLN  HB3          88 ILE  QD1         3.50    (#   2088:25  Unique         2.36, 3.51 A)
 &rst
  ixpk= 2088, nxpk= 25, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1398,1399,1400,
 &end
#
#   88 ILE  HG1-         88 ILE  QD1         2.80    (#   2089:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 2089, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1395,1396,
 igr2=1398,1399,1400,
 &end
#
#   88 ILE  HB           88 ILE  QD1         2.80    (#   2090:25  Unique         2.40, 3.07 A)
 &rst
  ixpk= 2090, nxpk= 25, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1398,1399,1400,
 &end
#
#   34 VAL  QG+          88 ILE  QD1         5.50    (#   2092:25  Unique         2.41, 6.61 A)
 &rst
  ixpk= 2092, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 568, 569, 570, 572, 573, 574,
 igr2=1398,1399,1400,
 &end
#
#   88 ILE  HG1+         88 ILE  QD1         2.80    (#   2093:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 2093, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1395,1396,
 igr2=1398,1399,1400,
 &end
#
#   88 ILE  QG2          88 ILE  QD1         2.80    (#   2094:25  Unique         2.18, 3.85 A)
 &rst
  ixpk= 2094, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1391,1392,1393,
 igr2=1398,1399,1400,
 &end
#
#   62 ASN  QB           65 PRO  HD+         4.50    (#   2098:25  Unique         6.56, 8.04 A)
 &rst
  ixpk= 2098, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 997, 998,
 igr2=1026,1027,
 &end
#
#   65 PRO  QG           65 PRO  HD+         3.50    (#   2099:25  Unique         2.32, 2.61 A)
 &rst
  ixpk= 2099, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1029,1030,
 igr2=1026,1027,
 &end
#
#   65 PRO  HB-          65 PRO  HD+         5.50    (#   2100:25  Unique         2.85, 3.69 A)
 &rst
  ixpk= 2100, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1032,1033,
 igr2=1026,1027,
 &end
#
#   64 SER  HA           65 PRO  HD-         2.80    (#   2101:25  Unique         2.10, 2.51 A)
 &rst
  ixpk= 2101, nxpk= 25, iat=1016,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1026,1027,
 &end
#
#   65 PRO  HB+          65 PRO  HD-         5.50    (#   2102:25  Unique         2.85, 3.69 A)
 &rst
  ixpk= 2102, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1032,1033,
 igr2=1026,1027,
 &end
#
#   65 PRO  QG           65 PRO  HD-         2.80    (#   2103:25  Unique         2.32, 2.61 A)
 &rst
  ixpk= 2103, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1029,1030,
 igr2=1026,1027,
 &end
#
#   64 SER  HB-          65 PRO  HD-         4.50    (#   2104:25  Unique         2.21, 3.20 A)
 &rst
  ixpk= 2104, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1018,1019,
 igr2=1026,1027,
 &end
#
#   65 PRO  HB-          65 PRO  HD-         4.50    (#   2105:25  Unique         2.85, 3.69 A)
 &rst
  ixpk= 2105, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1032,1033,
 igr2=1026,1027,
 &end
#
#   65 PRO  HB+          65 PRO  HD+         5.50    (#   2106:25  Unique         2.85, 3.69 A)
 &rst
  ixpk= 2106, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1032,1033,
 igr2=1026,1027,
 &end
#
#    0 AMB  25-3:2108     7 ILE  QD1         4.50    (#   2108:25  Single Ambig)
 &rst
  ixpk= 2108, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 724, 140,
 igr2= 134, 135, 136,
 &end
#
#   43 GLU  HG+           7 ILE  QD1         3.50    (#   2109:25  Unique         2.30, 3.87 A)
 &rst
  ixpk= 2109, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 716, 717,
 igr2= 134, 135, 136,
 &end
#
#   43 GLU  HB-           7 ILE  QD1         4.50    (#   2110:25  Unique         2.56, 4.62 A)
 &rst
  ixpk= 2110, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 713, 714,
 igr2= 134, 135, 136,
 &end
#
#    7 ILE  HB            7 ILE  QD1         4.50    (#   2111:25  Unique         2.56, 3.66 A)
 &rst
  ixpk= 2111, nxpk= 25, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 134, 135, 136,
 &end
#
#    5 ARG  HG+           7 ILE  QD1         4.50    (#   2112:25  Unique         2.83, 4.68 A)
 &rst
  ixpk= 2112, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  85,  86,
 igr2= 134, 135, 136,
 &end
#
#   43 GLU  HA            7 ILE  QD1         3.50    (#   2113:25  Unique         2.52, 3.98 A)
 &rst
  ixpk= 2113, nxpk= 25, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 134, 135, 136,
 &end
#
#    7 ILE  HA            7 ILE  QD1         3.50    (#   2114:25  Unique         2.45, 3.56 A)
 &rst
  ixpk= 2114, nxpk= 25, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 134, 135, 136,
 &end
#
#   37 ARG  HD+           7 ILE  QD1         5.50    (#   2116:25  Unique         2.35, 4.86 A)
 &rst
  ixpk= 2116, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 624, 625,
 igr2= 134, 135, 136,
 &end
#
#   43 GLU  HB+           7 ILE  QD1         4.50    (#   2118:25  Unique         2.56, 4.62 A)
 &rst
  ixpk= 2118, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 713, 714,
 igr2= 134, 135, 136,
 &end
#
#    5 ARG  HG-           7 ILE  QD1         2.80    (#   2119:25  Unique         2.83, 4.68 A)
 &rst
  ixpk= 2119, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  85,  86,
 igr2= 134, 135, 136,
 &end
#
#   37 ARG  HD-           7 ILE  QD1         5.50    (#   2120:25  Unique         2.35, 4.86 A)
 &rst
  ixpk= 2120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 624, 625,
 igr2= 134, 135, 136,
 &end
#
#    0 AMB  25-3:2121     0 AMB  25-1:2121   2.80    (#   2121:25  Double Ambig)
 &rst
  ixpk= 2121, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 789, 790, 789, 790,
 igr2= 795, 796, 795, 796,
 &end
#
#   49 PRO  HG+          49 PRO  HD+         3.50    (#   2124:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 2124, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 798, 799,
 igr2= 795, 796,
 &end
#
#   49 PRO  HB-          49 PRO  HD+         5.50    (#   2125:25  Unique         2.92, 3.76 A)
 &rst
  ixpk= 2125, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 801, 802,
 igr2= 795, 796,
 &end
#
#   52 ALA  QB           49 PRO  HD+         4.50    (#   2127:25  Unique         2.63, 4.51 A)
 &rst
  ixpk= 2127, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 841, 842, 843,
 igr2= 795, 796,
 &end
#
#   30 LEU  QD-          49 PRO  HD+         4.50    (#   2128:25  Unique         2.22, 4.65 A)
 &rst
  ixpk= 2128, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 795, 796,
 &end
#
#    0 AMB  25-3:2129    49 PRO  HD-         3.50    (#   2129:25  Single Ambig)
 &rst
  ixpk= 2129, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 789, 790, 789, 790,
 igr2= 795, 796,
 &end
#
#   49 PRO  HG+          49 PRO  HD-         3.50    (#   2131:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 2131, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 798, 799,
 igr2= 795, 796,
 &end
#
#   49 PRO  HB-          49 PRO  HD-         5.50    (#   2132:25  Unique         2.92, 3.76 A)
 &rst
  ixpk= 2132, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 801, 802,
 igr2= 795, 796,
 &end
#
#    0 AMB  25-3:2133    49 PRO  HD-         3.50    (#   2133:25  Single Ambig)
 &rst
  ixpk= 2133, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 841, 842, 843, 851,
 igr2= 795, 796,
 &end
#
#   30 LEU  QD-          49 PRO  HD-         4.50    (#   2134:25  Unique         2.22, 4.65 A)
 &rst
  ixpk= 2134, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 795, 796,
 &end
#
#    3 GLN  HE2-          3 GLN  HG+         5.50    (#   2137:25  Unique         2.46, 3.54 A)
 &rst
  ixpk= 2137, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  52,  53,
 igr2=  47,  48,
 &end
#
#   51 ASN  HA           54 GLN  HG+         5.50    (#   2138:25  Unique         3.56, 3.85 A)
 &rst
  ixpk= 2138, nxpk= 25, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 873, 874,
 &end
#
#   51 ASN  HA           54 GLN  HG-         5.50    (#   2139:25  Unique         3.56, 3.85 A)
 &rst
  ixpk= 2139, nxpk= 25, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 873, 874,
 &end
#
#   54 GLN  HE2-         54 GLN  HG+         4.50    (#   2140:25  Unique         2.15, 3.29 A)
 &rst
  ixpk= 2140, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 878, 879,
 igr2= 873, 874,
 &end
#
#   55 SER  HN           54 GLN  HG-         5.50    (#   2142:25  Unique         4.53, 4.86 A)
 &rst
  ixpk= 2142, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 873, 874,
 &end
#
#   75 THR  HB            5 ARG  HB2         4.50    (#   2144:25  Unique         3.74, 3.87 A)
 &rst
  ixpk= 2144, nxpk= 25, iat=1184,  82, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LEU  QD-          28 ARG  HB2         5.50    (#   2145:25  Unique         3.91, 5.23 A)
 &rst
  ixpk= 2145, nxpk= 25, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#    0 AMB  25-3:2147     0 AMB  25-1:2147   5.50    (#   2147:25  Double Ambig)
 &rst
  ixpk= 2147, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 igr2=1224,1225,1224,1225,
 &end
#
#   76 GLU  HN           76 GLU  HA          3.50    (#   2149:25  Unique         2.93, 2.97 A)
 &rst
  ixpk= 2149, nxpk= 25, iat=1194,1196, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 SER  HN           76 GLU  HA          2.80    (#   2150:25  Unique         2.23, 2.31 A)
 &rst
  ixpk= 2150, nxpk= 25, iat=1209,1196, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 ILE  HN           43 GLU  HA          2.80    (#   2151:25  Unique         2.17, 2.18 A)
 &rst
  ixpk= 2151, nxpk= 25, iat= 724, 711, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    7 ILE  HA           43 GLU  HA          4.50    (#   2152:25  Unique         2.29, 2.38 A)
 &rst
  ixpk= 2152, nxpk= 25, iat= 123, 711, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2154     0 AMB  25-1:2154   3.50    (#   2154:25  Double Ambig)
 &rst
  ixpk= 2154, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 713, 714,1198,1199,
 igr2= 711,1196,
 &end
#
#    0 AMB  25-3:2155     0 AMB  25-1:2155   5.50    (#   2155:25  Double Ambig)
 &rst
  ixpk= 2155, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 673, 674,1227,1228,
 igr2= 711,1196,
 &end
#
#    0 AMB  25-3:2156     0 AMB  25-1:2156   5.50    (#   2156:25  Double Ambig)
 &rst
  ixpk= 2156, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
 igr1=1186,1187,1188, 568, 569, 570, 572, 573, 574, 588,
       589,
 igr2=1196, 711,
 &end
#
#    0 AMB  25-3:2157    43 GLU  HA          5.50    (#   2157:25  Single Ambig)
 &rst
  ixpk= 2157, nxpk= 25, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 699, 700, 701, 703, 704, 705, 585, 586,
 &end
#
#    0 AMB  25-3:2158    43 GLU  HA          5.50    (#   2158:25  Single Ambig)
 &rst
  ixpk= 2158, nxpk= 25, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 134, 135, 136, 127, 128, 129,
 &end
#
#   81 GLU  HN           80 LEU  HA          4.50    (#   2159:25  Unique         2.14, 2.55 A)
 &rst
  ixpk= 2159, nxpk= 25, iat=1274,1257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 LEU  QD-          80 LEU  HA          4.50    (#   2160:25  Unique         2.06, 3.65 A)
 &rst
  ixpk= 2160, nxpk= 25, iat=  -1,1257, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1264,1265,1266,1268,1269,1270,
 &end
#
#   52 ALA  QB           52 ALA  HA          2.80    (#   2161:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 2161, nxpk= 25, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 841, 842, 843,
 &end
#
#    0 AMB  25-3:2162    52 ALA  HA          5.50    (#   2162:25  Single Ambig)
 &rst
  ixpk= 2162, nxpk= 25, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 904, 908, 832, 833,
 &end
#
#   80 LEU  HN           80 LEU  HA          4.50    (#   2163:25  Unique         2.10, 2.47 A)
 &rst
  ixpk= 2163, nxpk= 25, iat=1255,1257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2164     0 AMB  25-1:2164   4.50    (#   2164:25  Double Ambig)
 &rst
  ixpk= 2164, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  52,  53, 823,
 igr2=1257, 839,
 &end
#
#   46 ALA  QB           46 ALA  HA          3.50    (#   2165:25  Unique         2.35, 2.66 A)
 &rst
  ixpk= 2165, nxpk= 25, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 766, 767, 768,
 &end
#
#    0 AMB  25-3:2166    46 ALA  HA          5.50    (#   2166:25  Single Ambig)
 &rst
  ixpk= 2166, nxpk= 25, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 730, 731, 732, 750,
 &end
#
#    0 AMB  25-3:2168    46 ALA  HA          4.50    (#   2168:25  Single Ambig)
 &rst
  ixpk= 2168, nxpk= 25, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1281,1282, 566, 716, 717,
 &end
#
#   32 GLY  HA-          46 ALA  HA          5.50    (#   2169:25  Unique         2.16, 3.00 A)
 &rst
  ixpk= 2169, nxpk= 25, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 533, 534,
 &end
#
#   47 GLU  HN           46 ALA  HA          2.80    (#   2170:25  Unique         2.22, 2.25 A)
 &rst
  ixpk= 2170, nxpk= 25, iat= 772, 764, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 ASP  HA           29 LYS  HA          4.50    (#   2172:25  Unique         2.61, 2.99 A)
 &rst
  ixpk= 2172, nxpk= 25, iat= 424, 482, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 TYR  HN            3 GLN  HA          2.80    (#   2173:25  Unique         2.30, 2.35 A)
 &rst
  ixpk= 2173, nxpk= 25, iat=  57,  42, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    3 GLN  HB3           3 GLN  HA          4.50    (#   2175:25  Unique         3.01, 3.03 A)
 &rst
  ixpk= 2175, nxpk= 25, iat=  45,  42, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ARG  HN            4 TYR  HA          2.80    (#   2176:25  Unique         2.27, 2.30 A)
 &rst
  ixpk= 2176, nxpk= 25, iat=  78,  59, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    4 TYR  QD            4 TYR  HA          4.50    (#   2177:25  Unique         4.03, 4.29 A)
 &rst
  ixpk= 2177, nxpk= 25, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  65,  74,
 &end
#
#   76 GLU  HA            4 TYR  HA          3.50    (#   2178:25  Unique         1.98, 2.09 A)
 &rst
  ixpk= 2178, nxpk= 25, iat=1196,  59, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 TYR  HB3           4 TYR  HA          5.50    (#   2179:25  Unique         2.38, 2.41 A)
 &rst
  ixpk= 2179, nxpk= 25, iat=  62,  59, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 ILE  HN            5 ARG  HA          3.50    (#   2180:25  Unique         2.25, 2.28 A)
 &rst
  ixpk= 2180, nxpk= 25, iat= 102,  80, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:2182     5 ARG  HA          3.50    (#   2182:25  Single Ambig)
 &rst
  ixpk= 2182, nxpk= 25, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  83, 728,
 &end
#
#    5 ARG  HG-           5 ARG  HA          4.50    (#   2183:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 2183, nxpk= 25, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  85,  86,
 &end
#
#    7 ILE  HN            6 ILE  HA          2.80    (#   2184:25  Unique         2.21, 2.24 A)
 &rst
  ixpk= 2184, nxpk= 25, iat= 121, 104, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   74 VAL  HA            6 ILE  HA          4.50    (#   2185:25  Unique         2.46, 2.50 A)
 &rst
  ixpk= 2185, nxpk= 25, iat=1166, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 ILE  QD1           6 ILE  HA          4.50    (#   2186:25  Unique         3.36, 4.52 A)
 &rst
  ixpk= 2186, nxpk= 25, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 134, 135, 136,
 &end
#
#    0 AMB  25-3:2187     7 ILE  HA          2.80    (#   2187:25  Single Ambig)
 &rst
  ixpk= 2187, nxpk= 25, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 127, 128, 129, 134, 135, 136,
 &end
#
#    8 VAL  HN            7 ILE  HA          2.80    (#   2189:25  Unique         2.25, 2.29 A)
 &rst
  ixpk= 2189, nxpk= 25, iat= 140, 123, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:2190     9 ASP  HA          2.80    (#   2190:25  Single Ambig)
 &rst
  ixpk= 2190, nxpk= 25, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 168, 156,
 &end
#
#    9 ASP  HB2           9 ASP  HA          4.50    (#   2191:25  Unique         2.55, 2.59 A)
 &rst
  ixpk= 2191, nxpk= 25, iat= 160, 158, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 GLY  HN           40 GLY  HA+         4.50    (#   2193:25  Unique         2.29, 2.68 A)
 &rst
  ixpk= 2193, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 664, 665,
 &end
#
#   19 TYR  HB+          16 GLY  QA          5.50    (#   2196:25  Unique         3.42, 3.99 A)
 &rst
  ixpk= 2196, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 310, 311,
 igr2= 257, 258,
 &end
#
#   17 PHE  HB-          17 PHE  HA          4.50    (#   2197:25  Unique         2.47, 2.77 A)
 &rst
  ixpk= 2197, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 266, 267,
 &end
#
#   20 PHE  HB-          17 PHE  HA          4.50    (#   2198:25  Unique         2.41, 3.09 A)
 &rst
  ixpk= 2198, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 331, 332,
 &end
#
#   20 PHE  HB+          17 PHE  HA          4.50    (#   2199:25  Unique         2.41, 3.09 A)
 &rst
  ixpk= 2199, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 331, 332,
 &end
#
#   17 PHE  QD           17 PHE  HA          4.50    (#   2200:25  Unique         3.21, 3.59 A)
 &rst
  ixpk= 2200, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 270, 278,
 &end
#
#   19 TYR  QD           19 TYR  HA          3.50    (#   2201:25  Unique         2.75, 3.50 A)
 &rst
  ixpk= 2201, nxpk= 25, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 314, 323,
 &end
#
#   19 TYR  HB+          19 TYR  HA          2.80    (#   2202:25  Unique         2.46, 2.76 A)
 &rst
  ixpk= 2202, nxpk= 25, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 310, 311,
 &end
#
#    0 AMB  25-3:2203    55 SER  HA          4.50    (#   2203:25  Single Ambig)
 &rst
  ixpk= 2203, nxpk= 25, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 937, 938, 937, 938,
 &end
#
#   22 GLN  HB3          19 TYR  HA          4.50    (#   2204:25  Unique         2.29, 2.37 A)
 &rst
  ixpk= 2204, nxpk= 25, iat= 368, 308, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88 ILE  QD1          19 TYR  HA          3.50    (#   2205:25  Unique         2.26, 3.19 A)
 &rst
  ixpk= 2205, nxpk= 25, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1398,1399,1400,
 &end
#
#    0 AMB  25-3:2207     0 AMB  25-1:2207   3.50    (#   2207:25  Double Ambig)
 &rst
  ixpk= 2207, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 883, 327,
 igr2= 885, 329,
 &end
#
#   20 PHE  HB+          20 PHE  HA          3.50    (#   2208:25  Unique         2.36, 2.74 A)
 &rst
  ixpk= 2208, nxpk= 25, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 331, 332,
 &end
#
#   21 VAL  HN           20 PHE  HA          4.50    (#   2210:25  Unique         3.61, 3.62 A)
 &rst
  ixpk= 2210, nxpk= 25, iat= 347, 329, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ARG  HN           28 ARG  HA          4.50    (#   2211:25  Unique         2.96, 2.98 A)
 &rst
  ixpk= 2211, nxpk= 25, iat= 456, 458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2212    28 ARG  HA          3.50    (#   2212:25  Single Ambig)
 &rst
  ixpk= 2212, nxpk= 25, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 461, 463, 464,
 &end
#
#   27 LYS  QD           28 ARG  HA          4.50    (#   2213:25  Unique         4.83, 6.34 A)
 &rst
  ixpk= 2213, nxpk= 25, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 444, 445,
 &end
#
#   28 ARG  HB2          28 ARG  HA          4.50    (#   2214:25  Unique         2.37, 2.42 A)
 &rst
  ixpk= 2214, nxpk= 25, iat= 460, 458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LEU  QD-          30 LEU  HA          4.50    (#   2215:25  Unique         2.20, 3.78 A)
 &rst
  ixpk= 2215, nxpk= 25, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  HN           30 LEU  HA          4.50    (#   2216:25  Unique         2.86, 2.88 A)
 &rst
  ixpk= 2216, nxpk= 25, iat= 502, 504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 ALA  HN           30 LEU  HA          3.50    (#   2217:25  Unique         2.40, 2.46 A)
 &rst
  ixpk= 2217, nxpk= 25, iat= 521, 504, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLY  HN           31 ALA  HA          3.50    (#   2220:25  Unique         2.41, 2.45 A)
 &rst
  ixpk= 2220, nxpk= 25, iat= 531, 523, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 ALA  QB           31 ALA  HA          4.50    (#   2221:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 2221, nxpk= 25, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 525, 526, 527,
 &end
#
#   86 PHE  HB2          31 ALA  HA          5.50    (#   2222:25  Unique         2.54, 2.74 A)
 &rst
  ixpk= 2222, nxpk= 25, iat=1358, 523, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 TRP  HN           32 GLY  HA+         4.50    (#   2223:25  Unique         2.29, 2.62 A)
 &rst
  ixpk= 2223, nxpk= 25, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 533, 534,
 &end
#
#   83 HIS  HB2          32 GLY  HA-         4.50    (#   2226:25  Unique         3.14, 5.36 A)
 &rst
  ixpk= 2226, nxpk= 25, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 533, 534,
 &end
#
#    0 AMB  25-3:2227    34 VAL  HA          5.50    (#   2227:25  Single Ambig)
 &rst
  ixpk= 2227, nxpk= 25, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 743,1404,
 &end
#
#   33 TRP  HD1          34 VAL  HA          4.50    (#   2228:25  Unique         2.60, 2.70 A)
 &rst
  ixpk= 2228, nxpk= 25, iat= 546, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ILE  HA           34 VAL  HA          4.50    (#   2229:25  Unique         2.27, 2.33 A)
 &rst
  ixpk= 2229, nxpk= 25, iat= 726, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 VAL  HB           34 VAL  HA          4.50    (#   2230:25  Unique         2.41, 2.44 A)
 &rst
  ixpk= 2230, nxpk= 25, iat= 566, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2231    34 VAL  HA          4.50    (#   2231:25  Single Ambig)
 &rst
  ixpk= 2231, nxpk= 25, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 568, 569, 570, 572, 573, 574, 730, 731, 732, 734,
       735,
 &end
#
#   35 LYS  HN           34 VAL  HA          3.50    (#   2232:25  Unique         2.21, 2.23 A)
 &rst
  ixpk= 2232, nxpk= 25, iat= 578, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 ARG  HN           36 ASN  HA          3.50    (#   2233:25  Unique         2.15, 2.22 A)
 &rst
  ixpk= 2233, nxpk= 25, iat= 614, 602, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ASN  HB+          36 ASN  HA          4.50    (#   2234:25  Unique         2.25, 2.62 A)
 &rst
  ixpk= 2234, nxpk= 25, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 604, 605,
 &end
#
#   69 VAL  HN           68 LYS  HA          3.50    (#   2238:25  Unique         2.17, 2.24 A)
 &rst
  ixpk= 2238, nxpk= 25, iat=1092,1072, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 ASP  QB           38 ASP  HA          2.80    (#   2239:25  Unique         2.44, 2.74 A)
 &rst
  ixpk= 2239, nxpk= 25, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 642, 643,
 &end
#
#   68 LYS  QB           68 LYS  HA          2.80    (#   2240:25  Unique         2.42, 2.77 A)
 &rst
  ixpk= 2240, nxpk= 25, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1074,1075,
 &end
#
#   68 LYS  HG+          68 LYS  HA          4.50    (#   2241:25  Unique         2.44, 2.95 A)
 &rst
  ixpk= 2241, nxpk= 25, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1077,1078,
 &end
#
#   32 GLY  HA+          46 ALA  HA          5.50    (#   2243:25  Unique         2.16, 3.00 A)
 &rst
  ixpk= 2243, nxpk= 25, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 533, 534,
 &end
#
#    4 TYR  HA           76 GLU  HA          3.50    (#   2245:25  Unique         1.98, 2.09 A)
 &rst
  ixpk= 2245, nxpk= 25, iat=  59,1196, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 GLU  QG           47 GLU  HA          4.50    (#   2250:25  Unique         2.51, 2.95 A)
 &rst
  ixpk= 2250, nxpk= 25, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 779, 780,
 &end
#
#   48 GLY  HN           48 GLY  HA+         4.50    (#   2252:25  Unique         2.65, 2.83 A)
 &rst
  ixpk= 2252, nxpk= 25, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 789, 790,
 &end
#
#   49 PRO  HD-          48 GLY  HA-         3.50    (#   2253:25  Unique         2.22, 2.80 A)
 &rst
  ixpk= 2253, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 795, 796,
 igr2= 789, 790,
 &end
#
#   49 PRO  HB-          49 PRO  HA          4.50    (#   2254:25  Unique         2.29, 2.53 A)
 &rst
  ixpk= 2254, nxpk= 25, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 801, 802,
 &end
#
#    0 AMB  25-3:2255    49 PRO  HA          4.50    (#   2255:25  Single Ambig)
 &rst
  ixpk= 2255, nxpk= 25, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 801, 802,  11,  12,
 &end
#
#   52 ALA  HN           51 ASN  HA          4.50    (#   2256:25  Unique         3.52, 3.56 A)
 &rst
  ixpk= 2256, nxpk= 25, iat= 837, 825, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 ASN  QB           51 ASN  HA          3.50    (#   2257:25  Unique         2.44, 2.76 A)
 &rst
  ixpk= 2257, nxpk= 25, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 827, 828,
 &end
#
#   54 GLN  HB3          51 ASN  HA          4.50    (#   2258:25  Unique         4.51, 4.56 A)
 &rst
  ixpk= 2258, nxpk= 25, iat= 871, 825, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 GLN  HB2          51 ASN  HA          5.50    (#   2259:25  Unique         2.86, 2.96 A)
 &rst
  ixpk= 2259, nxpk= 25, iat= 870, 825, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 ALA  HN           52 ALA  HA          4.50    (#   2260:25  Unique         2.86, 2.89 A)
 &rst
  ixpk= 2260, nxpk= 25, iat= 837, 839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LYS  HG-          68 LYS  HA          4.50    (#   2262:25  Unique         2.44, 2.95 A)
 &rst
  ixpk= 2262, nxpk= 25, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1077,1078,
 &end
#
#   70 THR  HB           70 THR  HA          3.50    (#   2263:25  Unique         2.47, 2.48 A)
 &rst
  ixpk= 2263, nxpk= 25, iat=1112,1110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 THR  QG2          70 THR  HA          3.50    (#   2264:25  Unique         2.44, 3.10 A)
 &rst
  ixpk= 2264, nxpk= 25, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1114,1115,1116,
 &end
#
#   73 SER  HN           72 ILE  HA          3.50    (#   2265:25  Unique         2.22, 2.24 A)
 &rst
  ixpk= 2265, nxpk= 25, iat=1153,1136, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 VAL  HA           72 ILE  HA          4.50    (#   2266:25  Unique         2.24, 2.28 A)
 &rst
  ixpk= 2266, nxpk= 25, iat= 142,1136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83 HIS  HN           83 HIS  HA          3.50    (#   2267:25  Unique         2.64, 2.86 A)
 &rst
  ixpk= 2267, nxpk= 25, iat=1296,1298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   83 HIS  HB2          83 HIS  HA          4.50    (#   2269:25  Unique         2.41, 2.51 A)
 &rst
  ixpk= 2269, nxpk= 25, iat=1300,1298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83 HIS  HB3          83 HIS  HA          4.50    (#   2270:25  Unique         2.31, 2.90 A)
 &rst
  ixpk= 2270, nxpk= 25, iat=1301,1298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLY  HN           86 PHE  HA          3.50    (#   2271:25  Unique         2.21, 2.32 A)
 &rst
  ixpk= 2271, nxpk= 25, iat= 531,1356, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   87 SER  HN           86 PHE  HA          3.50    (#   2272:25  Unique         2.18, 2.22 A)
 &rst
  ixpk= 2272, nxpk= 25, iat=1374,1356, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 ALA  HA           86 PHE  HA          4.50    (#   2273:25  Unique         2.71, 2.99 A)
 &rst
  ixpk= 2273, nxpk= 25, iat= 523,1356, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2274    88 ILE  HA          3.50    (#   2274:25  Single Ambig)
 &rst
  ixpk= 2274, nxpk= 25, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1404,1385,
 &end
#
#   34 VAL  QG+          88 ILE  HA          4.50    (#   2275:25  Unique         2.32, 4.23 A)
 &rst
  ixpk= 2275, nxpk= 25, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#   88 ILE  QG2          88 ILE  HA          4.50    (#   2276:25  Unique         2.42, 3.15 A)
 &rst
  ixpk= 2276, nxpk= 25, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1391,1392,1393,
 &end
#
#   90 TYR  HB2          90 TYR  HA          4.50    (#   2277:25  Unique         2.47, 2.49 A)
 &rst
  ixpk= 2277, nxpk= 25, iat=1424,1422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 SER  QB           91 SER  HA          3.50    (#   2278:25  Unique         2.40, 2.73 A)
 &rst
  ixpk= 2278, nxpk= 25, iat=  -1,1443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1445,1446,
 &end
#
#   11 ARG  HG-          15 VAL  QG+         3.50    (#   2280:25  Unique         2.26, 3.79 A)
 &rst
  ixpk= 2280, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 182, 183,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   21 VAL  QG+          18 ARG  HA          5.50    (#   2281:25  Unique         3.74, 4.77 A)
 &rst
  ixpk= 2281, nxpk= 25, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#   88 ILE  HG1-         18 ARG  HA          5.50    (#   2282:25  Unique         3.99, 5.07 A)
 &rst
  ixpk= 2282, nxpk= 25, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1395,1396,
 &end
#
#   88 ILE  QG2          18 ARG  HB+         5.50    (#   2283:25  Unique         2.28, 3.57 A)
 &rst
  ixpk= 2283, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1391,1392,1393,
 igr2= 286, 287,
 &end
#
#   88 ILE  QD1          18 ARG  HB+         4.50    (#   2284:25  Unique         2.32, 4.52 A)
 &rst
  ixpk= 2284, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1398,1399,1400,
 igr2= 286, 287,
 &end
#
#   34 VAL  QG+          18 ARG  HB+         5.50    (#   2285:25  Unique         2.28, 4.41 A)
 &rst
  ixpk= 2285, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 568, 569, 570, 572, 573, 574,
 igr2= 286, 287,
 &end
#
#   55 SER  HB-          55 SER  HA          4.50    (#   2288:25  Unique         2.42, 2.75 A)
 &rst
  ixpk= 2288, nxpk= 25, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 887, 888,
 &end
#
#    7 ILE  QG2          41 ARG  QB          3.50    (#   2293:25  Unique         2.20, 3.23 A)
 &rst
  ixpk= 2293, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 127, 128, 129,
 igr2= 673, 674,
 &end
#
#   60 VAL  QG2          59 ALA  QB          4.50    (#   2294:25  Unique         3.29, 5.49 A)
 &rst
  ixpk= 2294, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 965, 966, 967,
 igr2= 949, 950, 951,
 &end
#
#   58 GLU  QB           59 ALA  QB          5.50    (#   2296:25  Unique         4.39, 5.67 A)
 &rst
  ixpk= 2296, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 934, 935,
 igr2= 949, 950, 951,
 &end
#
#   62 ASN  QB           59 ALA  QB          5.50    (#   2297:25  Unique         4.25, 5.48 A)
 &rst
  ixpk= 2297, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 997, 998,
 igr2= 949, 950, 951,
 &end
#
#   56 PHE  HA           59 ALA  QB          3.50    (#   2299:25  Unique         2.48, 3.32 A)
 &rst
  ixpk= 2299, nxpk= 25, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 949, 950, 951,
 &end
#
#   59 ALA  HA           59 ALA  QB          2.80    (#   2300:25  Unique         2.40, 2.65 A)
 &rst
  ixpk= 2300, nxpk= 25, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 949, 950, 951,
 &end
#
#   56 PHE  QD           59 ALA  QB          4.50    (#   2302:25  Unique         2.38, 5.68 A)
 &rst
  ixpk= 2302, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 902, 910,
 igr2= 949, 950, 951,
 &end
#
#   59 ALA  HN           59 ALA  QB          2.80    (#   2305:25  Unique         2.46, 2.89 A)
 &rst
  ixpk= 2305, nxpk= 25, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 949, 950, 951,
 &end
#
#   60 VAL  HN           59 ALA  QB          3.50    (#   2306:25  Unique         2.58, 3.44 A)
 &rst
  ixpk= 2306, nxpk= 25, iat= 955,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 949, 950, 951,
 &end
#
#   49 PRO  HG-          48 GLY  HA+         5.50    (#   2307:25  Unique         4.37, 4.86 A)
 &rst
  ixpk= 2307, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 798, 799,
 igr2= 789, 790,
 &end
#
#   49 PRO  HD+          48 GLY  HA+         3.50    (#   2308:25  Unique         2.22, 2.80 A)
 &rst
  ixpk= 2308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 795, 796,
 igr2= 789, 790,
 &end
#
#   89 VAL  QG-          35 LYS  HD-         5.50    (#   2311:25  Unique         3.44, 5.75 A)
 &rst
  ixpk= 2311, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1410,1411,1412,1414,1415,1416,
 igr2= 588, 589,
 &end
#
#   89 VAL  QG-          35 LYS  HD+         5.50    (#   2312:25  Unique         3.44, 5.75 A)
 &rst
  ixpk= 2312, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1410,1411,1412,1414,1415,1416,
 igr2= 588, 589,
 &end
#
#   64 SER  HA           65 PRO  HD+         3.50    (#   2315:25  Unique         2.10, 2.51 A)
 &rst
  ixpk= 2315, nxpk= 25, iat=1016,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1026,1027,
 &end
#
#   66 PHE  HN           66 PHE  HB-         5.50    (#   2316:25  Unique         2.55, 3.07 A)
 &rst
  ixpk= 2316, nxpk= 25, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1043,1044,
 &end
#
#   19 TYR  QD           16 GLY  QA          5.50    (#   2320:25  Unique         4.84, 6.04 A)
 &rst
  ixpk= 2320, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 314, 323,
 igr2= 257, 258,
 &end
#
#   13 GLN  HN            0 AMB  25-1:2321   5.50    (#   2321:25  Single Ambig)
 &rst
  ixpk= 2321, nxpk= 25, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 222, 223, 243,
 &end
#
#   15 VAL  HB           15 VAL  HA          4.50    (#   2322:25  Unique         2.52, 2.57 A)
 &rst
  ixpk= 2322, nxpk= 25, iat= 243, 241, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  HB2          53 LEU  HA          4.50    (#   2323:25  Unique         2.23, 2.99 A)
 &rst
  ixpk= 2323, nxpk= 25, iat= 851, 849, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2325    56 PHE  HB3         5.50    (#   2325:25  Single Ambig)
 &rst
  ixpk= 2325, nxpk= 25, iat=  -1, 899, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 920, 921, 922, 924, 925, 926, 509,
 &end
#
#   89 VAL  QG+          35 LYS  HE+         5.50    (#   2326:25  Unique         2.32, 4.75 A)
 &rst
  ixpk= 2326, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1410,1411,1412,1414,1415,1416,
 igr2= 591, 592,
 &end
#
#   89 VAL  QG+          35 LYS  HE-         5.50    (#   2327:25  Unique         2.32, 4.75 A)
 &rst
  ixpk= 2327, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1410,1411,1412,1414,1415,1416,
 igr2= 591, 592,
 &end
#
#   46 ALA  HN            3 GLN  HG+         5.50    (#   2328:25  Unique         3.80, 4.22 A)
 &rst
  ixpk= 2328, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  47,  48,
 &end
#
#   75 THR  HA           76 GLU  QG          5.50    (#   2329:25  Unique         3.89, 4.91 A)
 &rst
  ixpk= 2329, nxpk= 25, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1201,1202,
 &end
#
#   65 PRO  HD+          64 SER  HA          3.50    (#   2330:25  Unique         2.10, 2.51 A)
 &rst
  ixpk= 2330, nxpk= 25, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1026,1027,
 &end
#
#   39 ASP  HN           39 ASP  HB2         5.50    (#   2331:25  Unique         2.34, 2.85 A)
 &rst
  ixpk= 2331, nxpk= 25, iat= 650, 654, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2332    27 LYS  HE-         5.50    (#   2332:25  Single Ambig)
 &rst
  ixpk= 2332, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 883, 945, 502,
 igr2= 447, 448,
 &end
#
#   65 PRO  HD+          64 SER  HB+         4.50    (#   2333:25  Unique         2.21, 3.20 A)
 &rst
  ixpk= 2333, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1026,1027,
 igr2=1018,1019,
 &end
#
#   79 SER  HA           79 SER  HB3         2.80    (#   2334:25  Unique         2.32, 2.38 A)
 &rst
  ixpk= 2334, nxpk= 25, iat=1246,1249, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
# 1451 atoms read from pdb file prm1.pdb.
# 2 LEU PHI:  (1 MET C)-(2 LEU N)-(2 LEU CA)-(2 LEU C) -159.0 -119.0
 &rst     iat =    18,    20,    22,    37,
   r1 = -160.0, r2 = -159.0, r3 = -119.0, r4 = -118.0,
   rk2 =   50.0, rk3 =   50.0,    &end

# 3 GLN PHI:  (2 LEU C)-(3 GLN N)-(3 GLN CA)-(3 GLN C) -159.0 -99.0
 &rst     iat =    37,    39,    41,    54,
   r1 = -160.0, r2 = -159.0, r3 = -99.0, r4 = -98.0,
 &end

# 4 TYR PHI:  (3 GLN C)-(4 TYR N)-(4 TYR CA)-(4 TYR C) -140.0 -80.0
 &rst     iat =    54,    56,    58,    75,
   r1 = -141.0, r2 = -140.0, r3 = -80.0, r4 = -79.0,
 &end

# 5 ARG PHI:  (4 TYR C)-(5 ARG N)-(5 ARG CA)-(5 ARG C) -139.0 -99.0
 &rst     iat =    75,    77,    79,    99,
   r1 = -140.0, r2 = -139.0, r3 = -99.0, r4 = -98.0,
 &end

# 6 ILE PHI:  (5 ARG C)-(6 ILE N)-(6 ILE CA)-(6 ILE C) -130.0 -90.0
 &rst     iat =    99,   101,   103,   118,
   r1 = -131.0, r2 = -130.0, r3 = -90.0, r4 = -89.0,
 &end

# 7 ILE PHI:  (6 ILE C)-(7 ILE N)-(7 ILE CA)-(7 ILE C) -133.0 -93.0
 &rst     iat =   118,   120,   122,   137,
   r1 = -134.0, r2 = -133.0, r3 = -93.0, r4 = -92.0,
 &end

# 8 VAL PHI:  (7 ILE C)-(8 VAL N)-(8 VAL CA)-(8 VAL C) -146.0 -86.0
 &rst     iat =   137,   139,   141,   153,
   r1 = -147.0, r2 = -146.0, r3 = -86.0, r4 = -85.0,
 &end

# 9 ASP PHI:  (8 VAL C)-(9 ASP N)-(9 ASP CA)-(9 ASP C) -179.0 -99.0
 &rst     iat =   153,   155,   157,   165,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end



# 17 PHE PHI:  (16 GLY C)-(17 PHE N)-(17 PHE CA)-(17 PHE C) -104.0 -24.0
 &rst     iat =   259,   261,   263,   279,
   r1 = -105.0, r2 = -104.0, r3 = -24.0, r4 = -23.0,
 &end

# 18 ARG PHI:  (17 PHE C)-(18 ARG N)-(18 ARG CA)-(18 ARG C) -98.0 -38.0
 &rst     iat =   279,   281,   283,   303,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end

# 19 TYR PHI:  (18 ARG C)-(19 TYR N)-(19 TYR CA)-(19 TYR C) -98.0 -38.0
 &rst     iat =   303,   305,   307,   324,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end

# 20 PHE PHI:  (19 TYR C)-(20 PHE N)-(20 PHE CA)-(20 PHE C) -97.0 -37.0
 &rst     iat =   324,   326,   328,   344,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end

# 21 VAL PHI:  (20 PHE C)-(21 VAL N)-(21 VAL CA)-(21 VAL C) -105.0 -25.0
 &rst     iat =   344,   346,   348,   360,
   r1 = -106.0, r2 = -105.0, r3 = -25.0, r4 = -24.0,
 &end

# 24 GLU PHI:  (23 MET C)-(24 GLU N)-(24 GLU CA)-(24 GLU C) -99.0 -39.0
 &rst     iat =   394,   396,   398,   409,
   r1 = -100.0, r2 = -99.0, r3 = -39.0, r4 = -38.0,
 &end

# 25 ALA PHI:  (24 GLU C)-(25 ALA N)-(25 ALA CA)-(25 ALA C) -97.0 -17.0
 &rst     iat =   409,   411,   413,   419,
   r1 = -98.0, r2 = -97.0, r3 = -17.0, r4 = -16.0,
 &end

# 26 ASP PHI:  (25 ALA C)-(26 ASP N)-(26 ASP CA)-(26 ASP C) -97.0 -37.0
 &rst     iat =   419,   421,   423,   431,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end

# 27 LYS PHI:  (26 ASP C)-(27 LYS N)-(27 LYS CA)-(27 LYS C) -98.0 -38.0
 &rst     iat =   431,   433,   435,   453,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end

# 31 ALA PHI:  (30 LEU C)-(31 ALA N)-(31 ALA CA)-(31 ALA C) -160.0 -100.0
 &rst     iat =   518,   520,   522,   528,
   r1 = -161.0, r2 = -160.0, r3 = -100.0, r4 = -99.0,
 &end

# 33 TRP PHI:  (32 GLY C)-(33 TRP N)-(33 TRP CA)-(33 TRP C) -180.0 -30.0
 &rst     iat =   535,   537,   539,   559,
   r1 = -181.0, r2 = -180.0, r3 = -30.0, r4 = -29.0,
 &end

# 34 VAL PHI:  (33 TRP C)-(34 VAL N)-(34 VAL CA)-(34 VAL C) -164.0 -84.0
 &rst     iat =   559,   561,   563,   575,
   r1 = -165.0, r2 = -164.0, r3 = -84.0, r4 = -83.0,
 &end

# 35 LYS PHI:  (34 VAL C)-(35 LYS N)-(35 LYS CA)-(35 LYS C) -169.0 -109.0
 &rst     iat =   575,   577,   579,   597,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 36 ASN PHI:  (35 LYS C)-(36 ASN N)-(36 ASN CA)-(36 ASN C) -125.0 -65.0
 &rst     iat =   597,   599,   601,   611,
   r1 = -126.0, r2 = -125.0, r3 = -65.0, r4 = -64.0,
 &end

# 37 ARG PHI:  (36 ASN C)-(37 ARG N)-(37 ARG CA)-(37 ARG C) -129.0 -89.0
 &rst     iat =   611,   613,   615,   635,
   r1 = -130.0, r2 = -129.0, r3 = -89.0, r4 = -88.0,
 &end

# 39 ASP PHI:  (38 ASP C)-(39 ASP N)-(39 ASP CA)-(39 ASP C) -111.0 -51.0
 &rst     iat =   647,   649,   651,   659,
   r1 = -112.0, r2 = -111.0, r3 = -51.0, r4 = -50.0,
 &end

# 40 GLY PHI:  (39 ASP C)-(40 GLY N)-(40 GLY CA)-(40 GLY C)   0.0 120.0
 &rst     iat =   659,   661,   663,   666,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 &end

# 42 VAL PHI:  (41 ARG C)-(42 VAL N)-(42 VAL CA)-(42 VAL C) -146.0 -96.0
 &rst     iat =   690,   692,   694,   706,
   r1 = -147.0, r2 = -146.0, r3 = -96.0, r4 = -95.0,
 &end

# 43 GLU PHI:  (42 VAL C)-(43 GLU N)-(43 GLU CA)-(43 GLU C) -140.0 -80.0
 &rst     iat =   706,   708,   710,   721,
   r1 = -141.0, r2 = -140.0, r3 = -80.0, r4 = -79.0,
 &end

# 44 ILE PHI:  (43 GLU C)-(44 ILE N)-(44 ILE CA)-(44 ILE C) -145.0 -105.0
 &rst     iat =   721,   723,   725,   740,
   r1 = -146.0, r2 = -145.0, r3 = -105.0, r4 = -104.0,
 &end

# 45 LEU PHI:  (44 ILE C)-(45 LEU N)-(45 LEU CA)-(45 LEU C) -150.0 -70.0
 &rst     iat =   740,   742,   744,   759,
   r1 = -151.0, r2 = -150.0, r3 = -70.0, r4 = -69.0,
 &end

# 46 ALA PHI:  (45 LEU C)-(46 ALA N)-(46 ALA CA)-(46 ALA C) -167.0 -87.0
 &rst     iat =   759,   761,   763,   769,
   r1 = -168.0, r2 = -167.0, r3 = -87.0, r4 = -86.0,
 &end

# 47 GLU PHI:  (46 ALA C)-(47 GLU N)-(47 GLU CA)-(47 GLU C) -140.0 -100.0
 &rst     iat =   769,   771,   773,   784,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 50 GLU PHI:  (49 PRO C)-(50 GLU N)-(50 GLU CA)-(50 GLU C) -92.0 -52.0
 &rst     iat =   805,   807,   809,   820,
   r1 = -93.0, r2 = -92.0, r3 = -52.0, r4 = -51.0,
 &end

# 52 ALA PHI:  (51 ASN C)-(52 ALA N)-(52 ALA CA)-(52 ALA C) -86.0 -46.0
 &rst     iat =   834,   836,   838,   844,
   r1 = -87.0, r2 = -86.0, r3 = -46.0, r4 = -45.0,
 &end

# 53 LEU PHI:  (52 ALA C)-(53 LEU N)-(53 LEU CA)-(53 LEU C) -85.0 -45.0
 &rst     iat =   844,   846,   848,   863,
   r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
 &end

# 54 GLN PHI:  (53 LEU C)-(54 GLN N)-(54 GLN CA)-(54 GLN C) -84.0 -44.0
 &rst     iat =   863,   865,   867,   880,
   r1 = -85.0, r2 = -84.0, r3 = -44.0, r4 = -43.0,
 &end

# 55 SER PHI:  (54 GLN C)-(55 SER N)-(55 SER CA)-(55 SER C) -85.0 -45.0
 &rst     iat =   880,   882,   884,   891,
   r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
 &end

# 56 PHE PHI:  (55 SER C)-(56 PHE N)-(56 PHE CA)-(56 PHE C) -86.0 -46.0
 &rst     iat =   891,   893,   895,   911,
   r1 = -87.0, r2 = -86.0, r3 = -46.0, r4 = -45.0,
 &end

# 57 VAL PHI:  (56 PHE C)-(57 VAL N)-(57 VAL CA)-(57 VAL C) -86.0 -46.0
 &rst     iat =   911,   913,   915,   927,
   r1 = -87.0, r2 = -86.0, r3 = -46.0, r4 = -45.0,
 &end

# 58 GLU PHI:  (57 VAL C)-(58 GLU N)-(58 GLU CA)-(58 GLU C) -85.0 -45.0
 &rst     iat =   927,   929,   931,   942,
   r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
 &end

# 59 ALA PHI:  (58 GLU C)-(59 ALA N)-(59 ALA CA)-(59 ALA C) -84.0 -44.0
 &rst     iat =   942,   944,   946,   952,
   r1 = -85.0, r2 = -84.0, r3 = -44.0, r4 = -43.0,
 &end

# 60 VAL PHI:  (59 ALA C)-(60 VAL N)-(60 VAL CA)-(60 VAL C) -87.0 -47.0
 &rst     iat =   952,   954,   956,   968,
   r1 = -88.0, r2 = -87.0, r3 = -47.0, r4 = -46.0,
 &end

# 61 LYS PHI:  (60 VAL C)-(61 LYS N)-(61 LYS CA)-(61 LYS C) -87.0 -47.0
 &rst     iat =   968,   970,   972,   990,
   r1 = -88.0, r2 = -87.0, r3 = -47.0, r4 = -46.0,
 &end

# 62 ASN PHI:  (61 LYS C)-(62 ASN N)-(62 ASN CA)-(62 ASN C) -106.0 -46.0
 &rst     iat =   990,   992,   994,  1004,
   r1 = -107.0, r2 = -106.0, r3 = -46.0, r4 = -45.0,
 &end

# 68 LYS PHI:  (67 SER C)-(68 LYS N)-(68 LYS CA)-(68 LYS C) -160.0 -100.0
 &rst     iat =  1067,  1069,  1071,  1089,
   r1 = -161.0, r2 = -160.0, r3 = -100.0, r4 = -99.0,
 &end

# 69 VAL PHI:  (68 LYS C)-(69 VAL N)-(69 VAL CA)-(69 VAL C) -120.0 -60.0
 &rst     iat =  1089,  1091,  1093,  1105,
   r1 = -121.0, r2 = -120.0, r3 = -60.0, r4 = -59.0,
 &end

# 71 ASP PHI:  (70 THR C)-(71 ASP N)-(71 ASP CA)-(71 ASP C) -159.0 -109.0
 &rst     iat =  1119,  1121,  1123,  1131,
   r1 = -160.0, r2 = -159.0, r3 = -109.0, r4 = -108.0,
 &end

# 72 ILE PHI:  (71 ASP C)-(72 ILE N)-(72 ILE CA)-(72 ILE C) -157.0 -97.0
 &rst     iat =  1131,  1133,  1135,  1150,
   r1 = -158.0, r2 = -157.0, r3 = -97.0, r4 = -96.0,
 &end

# 73 SER PHI:  (72 ILE C)-(73 SER N)-(73 SER CA)-(73 SER C) -179.0 -99.0
 &rst     iat =  1150,  1152,  1154,  1161,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 75 THR PHI:  (74 VAL C)-(75 THR N)-(75 THR CA)-(75 THR C) -140.0 -60.0
 &rst     iat =  1177,  1179,  1181,  1191,
   r1 = -141.0, r2 = -140.0, r3 = -60.0, r4 = -59.0,
 &end

# 76 GLU PHI:  (75 THR C)-(76 GLU N)-(76 GLU CA)-(76 GLU C) -164.0 -64.0
 &rst     iat =  1191,  1193,  1195,  1206,
   r1 = -165.0, r2 = -164.0, r3 = -64.0, r4 = -63.0,
 &end

# 78 ARG PHI:  (77 SER C)-(78 ARG N)-(78 ARG CA)-(78 ARG C) -140.0 -60.0
 &rst     iat =  1217,  1219,  1221,  1241,
   r1 = -141.0, r2 = -140.0, r3 = -60.0, r4 = -59.0,
 &end

# 81 GLU PHI:  (80 LEU C)-(81 GLU N)-(81 GLU CA)-(81 GLU C) -180.0   0.0
 &rst     iat =  1271,  1273,  1275,  1286,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end


# 86 PHE PHI:  (85 ARG C)-(86 PHE N)-(86 PHE CA)-(86 PHE C) -155.0 -85.0
 &rst     iat =  1351,  1353,  1355,  1371,
   r1 = -156.0, r2 = -155.0, r3 = -85.0, r4 = -84.0,
 &end

# 87 SER PHI:  (86 PHE C)-(87 SER N)-(87 SER CA)-(87 SER C) -150.0 -90.0
 &rst     iat =  1371,  1373,  1375,  1382,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end

# 88 ILE PHI:  (87 SER C)-(88 ILE N)-(88 ILE CA)-(88 ILE C) -115.0 -75.0
 &rst     iat =  1382,  1384,  1386,  1401,
   r1 = -116.0, r2 = -115.0, r3 = -75.0, r4 = -74.0,
 &end

# 89 VAL PHI:  (88 ILE C)-(89 VAL N)-(89 VAL CA)-(89 VAL C) -141.0 -81.0
 &rst     iat =  1401,  1403,  1405,  1417,
   r1 = -142.0, r2 = -141.0, r3 = -81.0, r4 = -80.0,
 &end



# 2 LEU PSI:  (2 LEU N)-(2 LEU CA)-(2 LEU C)-(3 GLN N) 105.0 180.0
 &rst     iat =    20,    22,    37,    39,
   r1 = 104.0, r2 = 105.0, r3 = 180.0, r4 = 181.0,
 &end

# 3 GLN PSI:  (3 GLN N)-(3 GLN CA)-(3 GLN C)-(4 TYR N)  90.0 170.0
 &rst     iat =    39,    41,    54,    56,
   r1 =  89.0, r2 =  90.0, r3 = 170.0, r4 = 171.0,
 &end

# 4 TYR PSI:  (4 TYR N)-(4 TYR CA)-(4 TYR C)-(5 ARG N)  86.0 166.0
 &rst     iat =    56,    58,    75,    77,
   r1 =  85.0, r2 =  86.0, r3 = 166.0, r4 = 167.0,
 &end

# 5 ARG PSI:  (5 ARG N)-(5 ARG CA)-(5 ARG C)-(6 ILE N) 100.0 140.0
 &rst     iat =    77,    79,    99,   101,
   r1 =  99.0, r2 = 100.0, r3 = 140.0, r4 = 141.0,
 &end

# 6 ILE PSI:  (6 ILE N)-(6 ILE CA)-(6 ILE C)-(7 ILE N)  95.0 175.0
 &rst     iat =   101,   103,   118,   120,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 7 ILE PSI:  (7 ILE N)-(7 ILE CA)-(7 ILE C)-(8 VAL N) 103.0 143.0
 &rst     iat =   120,   122,   137,   139,
   r1 = 102.0, r2 = 103.0, r3 = 143.0, r4 = 144.0,
 &end

# 8 VAL PSI:  (8 VAL N)-(8 VAL CA)-(8 VAL C)-(9 ASP N) 114.0 154.0
 &rst     iat =   139,   141,   153,   155,
   r1 = 113.0, r2 = 114.0, r3 = 154.0, r4 = 155.0,
 &end

# 9 ASP PSI:  (9 ASP N)-(9 ASP CA)-(9 ASP C)-(10 GLY N) 115.0 155.0
 &rst     iat =   155,   157,   165,   167,
   r1 = 114.0, r2 = 115.0, r3 = 155.0, r4 = 156.0,
 &end

# 11 ARG PSI:  (11 ARG N)-(11 ARG CA)-(11 ARG C)-(12 VAL N)  80.0 160.0
 &rst     iat =   174,   176,   196,   198,
   r1 =  79.0, r2 =  80.0, r3 = 160.0, r4 = 161.0,
 &end


# 17 PHE PSI:  (17 PHE N)-(17 PHE CA)-(17 PHE C)-(18 ARG N) -73.0 -13.0
 &rst     iat =   261,   263,   279,   281,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end

# 18 ARG PSI:  (18 ARG N)-(18 ARG CA)-(18 ARG C)-(19 TYR N) -58.0 -18.0
 &rst     iat =   281,   283,   303,   305,
   r1 = -59.0, r2 = -58.0, r3 = -18.0, r4 = -17.0,
 &end

# 19 TYR PSI:  (19 TYR N)-(19 TYR CA)-(19 TYR C)-(20 PHE N) -58.0 -18.0
 &rst     iat =   305,   307,   324,   326,
   r1 = -59.0, r2 = -58.0, r3 = -18.0, r4 = -17.0,
 &end

# 20 PHE PSI:  (20 PHE N)-(20 PHE CA)-(20 PHE C)-(21 VAL N) -62.0 -22.0
 &rst     iat =   326,   328,   344,   346,
   r1 = -63.0, r2 = -62.0, r3 = -22.0, r4 = -21.0,
 &end

# 23 MET PSI:  (23 MET N)-(23 MET CA)-(23 MET C)-(24 GLU N) -60.0 -20.0
 &rst     iat =   379,   381,   394,   396,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 24 GLU PSI:  (24 GLU N)-(24 GLU CA)-(24 GLU C)-(25 ALA N) -62.0 -22.0
 &rst     iat =   396,   398,   409,   411,
   r1 = -63.0, r2 = -62.0, r3 = -22.0, r4 = -21.0,
 &end

# 25 ALA PSI:  (25 ALA N)-(25 ALA CA)-(25 ALA C)-(26 ASP N) -87.0  -7.0
 &rst     iat =   411,   413,   419,   421,
   r1 = -88.0, r2 = -87.0, r3 =  -7.0, r4 =  -6.0,
 &end

# 26 ASP PSI:  (26 ASP N)-(26 ASP CA)-(26 ASP C)-(27 LYS N) -63.0 -23.0
 &rst     iat =   421,   423,   431,   433,
   r1 = -64.0, r2 = -63.0, r3 = -23.0, r4 = -22.0,
 &end

# 27 LYS PSI:  (27 LYS N)-(27 LYS CA)-(27 LYS C)-(28 ARG N) -62.0  -2.0
 &rst     iat =   433,   435,   453,   455,
   r1 = -63.0, r2 = -62.0, r3 =  -2.0, r4 =  -1.0,
 &end

# 30 LEU PSI:  (30 LEU N)-(30 LEU CA)-(30 LEU C)-(31 ALA N) 105.0 165.0
 &rst     iat =   501,   503,   518,   520,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 31 ALA PSI:  (31 ALA N)-(31 ALA CA)-(31 ALA C)-(32 GLY N) 105.0 165.0
 &rst     iat =   520,   522,   528,   530,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 33 TRP PSI:  (33 TRP N)-(33 TRP CA)-(33 TRP C)-(34 VAL N) 107.0 187.0
 &rst     iat =   537,   539,   559,   561,
   r1 = 106.0, r2 = 107.0, r3 = 187.0, r4 = 188.0,
 &end

# 34 VAL PSI:  (34 VAL N)-(34 VAL CA)-(34 VAL C)-(35 LYS N) 103.0 183.0
 &rst     iat =   561,   563,   575,   577,
   r1 = 102.0, r2 = 103.0, r3 = 183.0, r4 = 184.0,
 &end

# 35 LYS PSI:  (35 LYS N)-(35 LYS CA)-(35 LYS C)-(36 ASN N)  95.0 185.0
 &rst     iat =   577,   579,   597,   599,
   r1 =  94.0, r2 =  95.0, r3 = 185.0, r4 = 186.0,
 &end

# 36 ASN PSI:  (36 ASN N)-(36 ASN CA)-(36 ASN C)-(37 ARG N)  87.0 167.0
 &rst     iat =   599,   601,   611,   613,
   r1 =  86.0, r2 =  87.0, r3 = 167.0, r4 = 168.0,
 &end

# 37 ARG PSI:  (37 ARG N)-(37 ARG CA)-(37 ARG C)-(38 ASP N) 128.0 188.0
 &rst     iat =   613,   615,   635,   637,
   r1 = 127.0, r2 = 128.0, r3 = 188.0, r4 = 189.0,
 &end

# 39 ASP PSI:  (39 ASP N)-(39 ASP CA)-(39 ASP C)-(40 GLY N) -32.0  48.0
 &rst     iat =   649,   651,   659,   661,
   r1 = -33.0, r2 = -32.0, r3 =  48.0, r4 =  49.0,
 &end

# 41 ARG PSI:  (41 ARG N)-(41 ARG CA)-(41 ARG C)-(42 VAL N) 110.0 180.0
 &rst     iat =   668,   670,   690,   692,
   r1 = 109.0, r2 = 110.0, r3 = 180.0, r4 = 181.0,
 &end

# 42 VAL PSI:  (42 VAL N)-(42 VAL CA)-(42 VAL C)-(43 GLU N) 114.0 154.0
 &rst     iat =   692,   694,   706,   708,
   r1 = 113.0, r2 = 114.0, r3 = 154.0, r4 = 155.0,
 &end

# 43 GLU PSI:  (43 GLU N)-(43 GLU CA)-(43 GLU C)-(44 ILE N) 100.0 160.0
 &rst     iat =   708,   710,   721,   723,
   r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
 &end

# 44 ILE PSI:  (44 ILE N)-(44 ILE CA)-(44 ILE C)-(45 LEU N) 105.0 155.0
 &rst     iat =   723,   725,   740,   742,
   r1 = 104.0, r2 = 105.0, r3 = 155.0, r4 = 156.0,
 &end

# 45 LEU PSI:  (45 LEU N)-(45 LEU CA)-(45 LEU C)-(46 ALA N)  95.0 175.0
 &rst     iat =   742,   744,   759,   761,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 46 ALA PSI:  (46 ALA N)-(46 ALA CA)-(46 ALA C)-(47 GLU N) 101.0 181.0
 &rst     iat =   761,   763,   769,   771,
   r1 = 100.0, r2 = 101.0, r3 = 181.0, r4 = 182.0,
 &end

# 47 GLU PSI:  (47 GLU N)-(47 GLU CA)-(47 GLU C)-(48 GLY N) 115.0 155.0
 &rst     iat =   771,   773,   784,   786,
   r1 = 114.0, r2 = 115.0, r3 = 155.0, r4 = 156.0,
 &end

# 50 GLU PSI:  (50 GLU N)-(50 GLU CA)-(50 GLU C)-(51 ASN N) -79.0   1.0
 &rst     iat =   807,   809,   820,   822,
   r1 = -80.0, r2 = -79.0, r3 =   1.0, r4 =   2.0,
 &end

# 51 ASN PSI:  (51 ASN N)-(51 ASN CA)-(51 ASN C)-(52 ALA N) -58.0 -18.0
 &rst     iat =   822,   824,   834,   836,
   r1 = -59.0, r2 = -58.0, r3 = -18.0, r4 = -17.0,
 &end

# 52 ALA PSI:  (52 ALA N)-(52 ALA CA)-(52 ALA C)-(53 LEU N) -58.0 -18.0
 &rst     iat =   836,   838,   844,   846,
   r1 = -59.0, r2 = -58.0, r3 = -18.0, r4 = -17.0,
 &end

# 53 LEU PSI:  (53 LEU N)-(53 LEU CA)-(53 LEU C)-(54 GLN N) -64.0 -24.0
 &rst     iat =   846,   848,   863,   865,
   r1 = -65.0, r2 = -64.0, r3 = -24.0, r4 = -23.0,
 &end

# 54 GLN PSI:  (54 GLN N)-(54 GLN CA)-(54 GLN C)-(55 SER N) -62.0 -22.0
 &rst     iat =   865,   867,   880,   882,
   r1 = -63.0, r2 = -62.0, r3 = -22.0, r4 = -21.0,
 &end

# 55 SER PSI:  (55 SER N)-(55 SER CA)-(55 SER C)-(56 PHE N) -59.0 -19.0
 &rst     iat =   882,   884,   891,   893,
   r1 = -60.0, r2 = -59.0, r3 = -19.0, r4 = -18.0,
 &end

# 56 PHE PSI:  (56 PHE N)-(56 PHE CA)-(56 PHE C)-(57 VAL N) -64.0 -24.0
 &rst     iat =   893,   895,   911,   913,
   r1 = -65.0, r2 = -64.0, r3 = -24.0, r4 = -23.0,
 &end

# 57 VAL PSI:  (57 VAL N)-(57 VAL CA)-(57 VAL C)-(58 GLU N) -64.0 -24.0
 &rst     iat =   913,   915,   927,   929,
   r1 = -65.0, r2 = -64.0, r3 = -24.0, r4 = -23.0,
 &end

# 58 GLU PSI:  (58 GLU N)-(58 GLU CA)-(58 GLU C)-(59 ALA N) -67.0 -27.0
 &rst     iat =   929,   931,   942,   944,
   r1 = -68.0, r2 = -67.0, r3 = -27.0, r4 = -26.0,
 &end

# 59 ALA PSI:  (59 ALA N)-(59 ALA CA)-(59 ALA C)-(60 VAL N) -62.0 -22.0
 &rst     iat =   944,   946,   952,   954,
   r1 = -63.0, r2 = -62.0, r3 = -22.0, r4 = -21.0,
 &end

# 60 VAL PSI:  (60 VAL N)-(60 VAL CA)-(60 VAL C)-(61 LYS N) -57.0 -17.0
 &rst     iat =   954,   956,   968,   970,
   r1 = -58.0, r2 = -57.0, r3 = -17.0, r4 = -16.0,
 &end

# 61 LYS PSI:  (61 LYS N)-(61 LYS CA)-(61 LYS C)-(62 ASN N) -59.0 -19.0
 &rst     iat =   970,   972,   990,   992,
   r1 = -60.0, r2 = -59.0, r3 = -19.0, r4 = -18.0,
 &end

# 62 ASN PSI:  (62 ASN N)-(62 ASN CA)-(62 ASN C)-(63 GLY N) -55.0 -15.0
 &rst     iat =   992,   994,  1004,  1006,
   r1 = -56.0, r2 = -55.0, r3 = -15.0, r4 = -14.0,
 &end


# 68 LYS PSI:  (68 LYS N)-(68 LYS CA)-(68 LYS C)-(69 VAL N)  78.0 158.0
 &rst     iat =  1069,  1071,  1089,  1091,
   r1 =  77.0, r2 =  78.0, r3 = 158.0, r4 = 159.0,
 &end

# 69 VAL PSI:  (69 VAL N)-(69 VAL CA)-(69 VAL C)-(70 THR N)  95.0 135.0
 &rst     iat =  1091,  1093,  1105,  1107,
   r1 =  94.0, r2 =  95.0, r3 = 135.0, r4 = 136.0,
 &end

# 71 ASP PSI:  (71 ASP N)-(71 ASP CA)-(71 ASP C)-(72 ILE N)  95.0 175.0
 &rst     iat =  1121,  1123,  1131,  1133,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 72 ILE PSI:  (72 ILE N)-(72 ILE CA)-(72 ILE C)-(73 SER N) 117.0 167.0
 &rst     iat =  1133,  1135,  1150,  1152,
   r1 = 116.0, r2 = 117.0, r3 = 167.0, r4 = 168.0,
 &end

# 73 SER PSI:  (73 SER N)-(73 SER CA)-(73 SER C)-(74 VAL N) 100.0 170.0
 &rst     iat =  1152,  1154,  1161,  1163,
   r1 =  99.0, r2 = 100.0, r3 = 170.0, r4 = 171.0,
 &end

# 74 VAL PSI:  (74 VAL N)-(74 VAL CA)-(74 VAL C)-(75 THR N) 105.0 145.0
 &rst     iat =  1163,  1165,  1177,  1179,
   r1 = 104.0, r2 = 105.0, r3 = 145.0, r4 = 146.0,
 &end

# 75 THR PSI:  (75 THR N)-(75 THR CA)-(75 THR C)-(76 GLU N)  87.0 167.0
 &rst     iat =  1179,  1181,  1191,  1193,
   r1 =  86.0, r2 =  87.0, r3 = 167.0, r4 = 168.0,
 &end

# 76 GLU PSI:  (76 GLU N)-(76 GLU CA)-(76 GLU C)-(77 SER N) 110.0 170.0
 &rst     iat =  1193,  1195,  1206,  1208,
   r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
 &end

# 77 SER PSI:  (77 SER N)-(77 SER CA)-(77 SER C)-(78 ARG N)  95.0 175.0
 &rst     iat =  1208,  1210,  1217,  1219,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 83 HIS PSI:  (83 HID N)-(83 HID CA)-(83 HID C)-(84 HID N) 110.0 170.0
 &rst     iat =  1295,  1297,  1310,  1312,
   r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
 &end


# 86 PHE PSI:  (86 PHE N)-(86 PHE CA)-(86 PHE C)-(87 SER N)  97.0 157.0
 &rst     iat =  1353,  1355,  1371,  1373,
   r1 =  96.0, r2 =  97.0, r3 = 157.0, r4 = 158.0,
 &end

# 87 SER PSI:  (87 SER N)-(87 SER CA)-(87 SER C)-(88 ILE N) 120.0 180.0
 &rst     iat =  1373,  1375,  1382,  1384,
   r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
 &end

# 88 ILE PSI:  (88 ILE N)-(88 ILE CA)-(88 ILE C)-(89 VAL N)  90.0 150.0
 &rst     iat =  1384,  1386,  1401,  1403,
   r1 =  89.0, r2 =  90.0, r3 = 150.0, r4 = 151.0,
 &end


# 89 VAL PSI:  (89 VAL N)-(89 VAL CA)-(89 VAL C)-(90 TYR N) 110.0 190.0
 &rst     iat =  1403,  1405,  1417,  1419,
   r1 = 109.0, r2 = 110.0, r3 = 190.0, r4 = 191.0,
 &end

# 4 TYR CHI1:  (4 TYR N)-(4 TYR CA)-(4 TYR CB)-(4 TYR CG)  10.0 110.0
 &rst     iat =    56,    58,    60,    63,
   r1 =   9.0, r2 =  10.0, r3 = 110.0, r4 = 111.0,
 &end

# 9 ASP CHI1:  (9 ASP N)-(9 ASP CA)-(9 ASP CB)-(9 ASP CG) 150.0 210.0
 &rst     iat =   155,   157,   159,   162,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end


# 22 GLN CHI1:  (22 GLN N)-(22 GLN CA)-(22 GLN CB)-(22 GLN CG) 150.0 210.0
 &rst     iat =   362,   364,   366,   369,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end


# 26 ASP CHI1:  (26 ASP N)-(26 ASP CA)-(26 ASP CB)-(26 ASP CG) 150.0 210.0
 &rst     iat =   421,   423,   425,   428,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 27 LYS CHI1:  (27 LYS N)-(27 LYS CA)-(27 LYS CB)-(27 LYS CG)  20.0 100.0
 &rst     iat =   433,   435,   437,   440,
   r1 =  19.0, r2 =  20.0, r3 = 100.0, r4 = 101.0,
 &end


# 30 LEU CHI1:  (30 LEU N)-(30 LEU CA)-(30 LEU CB)-(30 LEU CG) -80.0 -40.0
 &rst     iat =   501,   503,   505,   508,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 35 LYS CHI1:  (35 LYS N)-(35 LYS CA)-(35 LYS CB)-(35 LYS CG)  30.0  90.0
 &rst     iat =   577,   579,   581,   584,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end


# 61 LYS CHI1:  (61 LYS N)-(61 LYS CA)-(61 LYS CB)-(61 LYS CG)  30.0  90.0
 &rst     iat =   970,   972,   974,   977,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end


# 66 PHE CHI1:  (66 PHE N)-(66 PHE CA)-(66 PHE CB)-(66 PHE CG) -90.0 -30.0
 &rst     iat =  1038,  1040,  1042,  1045,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end


# 70 THR CHI1:  (70 THR N)-(70 THR CA)-(70 THR CB)-(70 THR OG1)  30.0  90.0
 &rst     iat =  1107,  1109,  1111,  1117,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 75 THR CHI1:  (75 THR N)-(75 THR CA)-(75 THR CB)-(75 THR OG1) -90.0 -30.0
 &rst     iat =  1179,  1181,  1183,  1189,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 12 VAL CHI1:  (12 VAL N)-(12 VAL CA)-(12 VAL CB)-(12 VAL CG1) -90.0 -30.0
 &rst     iat =   198,   200,   202,   204,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 15 VAL CHI1:  (15 VAL N)-(15 VAL CA)-(15 VAL CB)-(15 VAL CG1) -90.0 -30.0
 &rst     iat =   238,   240,   242,   244,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 57 VAL CHI1:  (57 VAL N)-(57 VAL CA)-(57 VAL CB)-(57 VAL CG1) 150.0 210.0
 &rst     iat =   913,   915,   917,   919,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 60 VAL CHI1:  (60 VAL N)-(60 VAL CA)-(60 VAL CB)-(60 VAL CG1) 150.0 210.0
 &rst     iat =   954,   956,   958,   960,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end


# 1 MET CHI1:  (1 MET N)-(1 MET CA)-(1 MET CB)-(1 MET CG) -90.0 -30.0
 &rst     iat =     1,     5,     7,    10,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end


# 3 GLN CHI1:  (3 GLN N)-(3 GLN CA)-(3 GLN CB)-(3 GLN CG) 150.0 210.0
 &rst     iat =    39,    41,    43,    46,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 11 ARG CHI1:  (11 ARG N)-(11 ARG CA)-(11 ARG CB)-(11 ARG CG) 150.0 210.0
 &rst     iat =   174,   176,   178,   181,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end


# 85 ARG CHI1:  (85 ARG N)-(85 ARG CA)-(85 ARG CB)-(85 ARG CG)  30.0  90.0
 &rst     iat =  1329,  1331,  1333,  1336,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 86 PHE CHI1:  (86 PHE N)-(86 PHE CA)-(86 PHE CB)-(86 PHE CG) 150.0 210.0
 &rst     iat =  1353,  1355,  1357,  1360,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

#
# 4 TYR HN 46 ALA O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat=  57, 770, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
# 5 ARG+ HN 75 THR O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat=  78,1192, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 6 ILE HN 44 ILE O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 741, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 7 ILE HN 73 SER O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 121,1162, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 8 VAL HN 42 VAL O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 707, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 11 ARG+ HN 68 LYS+ O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 175,1090, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 43 GLU- HN 35 LYS+ O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 598, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 24 GLU- HN 20 PHE O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 345, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 25 ALA HN 21 VAL O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 361, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 26 ASP- HN 22 GLN O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 378, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 33 TRP HN 45 LEU O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 760, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 35 LYS+ HN 43 GLU- O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 722, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 34 VAL HN 87 SER O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 562,1383, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 37 ARG+ HN 41 ARG+ O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 691, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 42 VAL HN 8 VAL O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 154, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 43 GLU- HN 35 LYS+ O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 598, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 44 ILE HN 6 ILE O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 119, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 45 LEU HN 33 TRP O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 560, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 46 ALA HN 4 TYR O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 762,  76, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 47 GLU- HN 31 ALA O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 529, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 48 GLY HN 2 LEU O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 787,  38, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 53 LEU HN 49 PRO O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 806, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 54 GLN HN 50 GLU- O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 866, 821, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 55 SER HN 51 ASN O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 883, 835, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 56 PHE HN 52 ALA O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 845, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 57 VAL HN 53 LEU O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 864, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 58 GLU- HN 54 GLN O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 930, 881, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 59 ALA HN 55 SER O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 892, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 60 VAL HN 56 PHE O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 955, 912, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 61 LYS+ HN 57 VAL O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 971, 928, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 68 LYS+ HN 11 ARG+ O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat=1070, 197, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 70 THR HN 9 ASP- O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat=1108, 166, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 73 SER HN 7 ILE O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat=1153, 138, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 75 THR HN 5 ARG+ O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat=1180, 100, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 87 SER HN 32 GLY O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat=1374, 536, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 89 VAL HN 34 VAL O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat=1404, 576, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 4 TYR N 46 ALA O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  56, 770, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 5 ARG+ N 75 THR O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  77,1192, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 6 ILE N 44 ILE O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 741, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 7 ILE N 73 SER O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 120,1162, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 8 VAL N 42 VAL O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 707, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 11 ARG+ N 68 LYS+ O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 174,1090, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 43 GLU- N 35 LYS+ O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 598, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 24 GLU- N 20 PHE O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 345, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 25 ALA N 21 VAL O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 361, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 26 ASP- N 22 GLN O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 378, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 33 TRP N 45 LEU O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 760, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 35 LYS+ N 43 GLU- O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 722, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 34 VAL N 87 SER O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 561,1383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 37 ARG+ N 41 ARG+ O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 691, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 42 VAL N 8 VAL O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 154, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 43 GLU- N 35 LYS+ O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 598, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 44 ILE N 6 ILE O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 119, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 45 LEU N 33 TRP O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 560, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 46 ALA N 4 TYR O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 761,  76, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 47 GLU- N 31 ALA O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 529, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 48 GLY N 2 LEU O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 786,  38, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 53 LEU N 49 PRO O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 806, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 54 GLN N 50 GLU- O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 821, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 55 SER N 51 ASN O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 835, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 56 PHE N 52 ALA O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 845, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 57 VAL N 53 LEU O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 864, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 58 GLU- N 54 GLN O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 929, 881, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 59 ALA N 55 SER O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 892, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 60 VAL N 56 PHE O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 912, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 61 LYS+ N 57 VAL O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 970, 928, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 67 SER N 64 SER O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1058,1023, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 68 LYS+ N 11 ARG+ O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1069, 197, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 70 THR N 9 ASP- O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1107, 166, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 73 SER N 7 ILE O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1152, 138, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 75 THR N 5 ARG+ O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1179, 100, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 87 SER N 32 GLY O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1373, 536, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 89 VAL N 34 VAL O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1403, 576, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          H1        MET   1  -1.425   0.484  -2.268
    2   2H    MET   1          H2        MET   1  -1.162  -0.731  -3.338
    3   3H    MET   1          H3        MET   1  -1.245  -1.064  -1.736
    4    HA   MET   1           HA       MET   1   0.866   0.469  -3.095
    5   1HB   MET   1          HB2       MET   1   0.539  -0.164  -0.124
    6   2HB   MET   1          HB3       MET   1   2.031   0.412  -0.866
    7   1HG   MET   1          HG2       MET   1  -0.601   1.933  -0.795
    8   2HG   MET   1          HG3       MET   1   0.816   2.232   0.204
    9   1HE   MET   1          HE1       MET   1   0.705   4.797  -0.445
   10   2HE   MET   1          HE2       MET   1   0.688   5.391  -2.120
   11   3HE   MET   1          HE3       MET   1  -0.702   4.484  -1.487
   12    H    LEU   2           H        LEU   2   2.744  -0.682  -3.549
   13    HA   LEU   2           HA       LEU   2   3.136  -3.380  -2.500
   14   1HB   LEU   2          HB2       LEU   2   2.082  -2.878  -5.195
   15   2HB   LEU   2          HB3       LEU   2   3.627  -3.661  -5.310
   16    HG   LEU   2           HG       LEU   2   1.376  -4.723  -3.548
   17   1HD1  LEU   2          HD11      LEU   2   2.122  -5.494  -6.399
   18   2HD1  LEU   2          HD12      LEU   2   1.000  -6.390  -5.351
   19   3HD1  LEU   2          HD13      LEU   2   0.598  -4.747  -5.858
   20   1HD2  LEU   2          HD21      LEU   2   3.618  -5.542  -2.893
   21   2HD2  LEU   2          HD22      LEU   2   2.684  -6.833  -3.645
   22   3HD2  LEU   2          HD23      LEU   2   3.951  -6.011  -4.574
   23    H    GLN   3           H        GLN   3   5.261  -4.197  -3.759
   24    HA   GLN   3           HA       GLN   3   7.243  -2.092  -4.160
   25   1HB   GLN   3          HB2       GLN   3   7.236  -2.409  -1.729
   26   2HB   GLN   3          HB3       GLN   3   7.152  -4.141  -1.940
   27   1HG   GLN   3          HG2       GLN   3   9.571  -3.923  -2.959
   28   2HG   GLN   3          HG3       GLN   3   9.547  -2.317  -2.235
   29   1HE2  GLN   3          HE22      GLN   3  11.316  -3.003  -0.592
   30   2HE2  GLN   3          HE21      GLN   3  10.782  -4.019   0.714
   31    H    TYR   4           H        TYR   4   9.058  -3.010  -5.375
   32    HA   TYR   4           HA       TYR   4   9.096  -5.880  -5.845
   33   1HB   TYR   4          HB2       TYR   4   9.098  -5.754  -8.286
   34   2HB   TYR   4          HB3       TYR   4   7.568  -5.347  -7.575
   35    HD1  TYR   4           HD2      TYR   4  10.597  -3.124  -8.384
   36    HD2  TYR   4           HD1      TYR   4   6.452  -4.102  -9.135
   37    HE1  TYR   4           HE2      TYR   4  10.495  -1.351 -10.052
   38    HE2  TYR   4           HE1      TYR   4   6.379  -2.345 -10.866
   39    HH   TYR   4           HH       TYR   4   9.249  -0.419 -11.781
   40    H    ARG   5           H        ARG   5  10.974  -6.522  -7.167
   41    HA   ARG   5           HA       ARG   5  13.100  -4.490  -7.439
   42   1HB   ARG   5          HB2       ARG   5  13.473  -6.039  -5.423
   43   2HB   ARG   5          HB3       ARG   5  13.667  -7.359  -6.581
   44   1HG   ARG   5          HG2       ARG   5  15.640  -6.231  -7.571
   45   2HG   ARG   5          HG3       ARG   5  15.335  -4.795  -6.567
   46   1HD   ARG   5          HD2       ARG   5  15.552  -6.319  -4.521
   47   2HD   ARG   5          HD3       ARG   5  16.146  -7.572  -5.628
   48    HE   ARG   5           HE       ARG   5  17.587  -5.048  -5.884
   49   1HH1  ARG   5          HH21      ARG   5  17.370  -7.904  -3.763
   50   2HH1  ARG   5          HH22      ARG   5  18.988  -7.745  -3.189
   51   1HH2  ARG   5          HH11      ARG   5  19.647  -4.898  -5.252
   52   2HH2  ARG   5          HH12      ARG   5  20.350  -5.950  -4.033
   53    H    ILE   6           H        ILE   6  14.158  -4.723  -9.435
   54    HA   ILE   6           HA       ILE   6  13.153  -6.792 -11.301
   55    HB   ILE   6           HB       ILE   6  13.137  -3.770 -11.698
   56   1HG1  ILE   6          HG12      ILE   6  10.958  -5.861 -11.535
   57   2HG1  ILE   6          HG13      ILE   6  11.220  -4.489 -10.470
   58   1HG2  ILE   6          HG21      ILE   6  13.922  -4.887 -13.781
   59   2HG2  ILE   6          HG22      ILE   6  12.440  -5.863 -13.794
   60   3HG2  ILE   6          HG23      ILE   6  12.377  -4.100 -13.981
   61   1HD1  ILE   6          HD11      ILE   6   9.311  -4.061 -11.831
   62   2HD1  ILE   6          HD12      ILE   6  10.599  -2.941 -12.332
   63   3HD1  ILE   6          HD13      ILE   6  10.194  -4.368 -13.327
   64    H    ILE   7           H        ILE   7  14.672  -7.284 -12.912
   65    HA   ILE   7           HA       ILE   7  17.349  -6.008 -12.721
   66    HB   ILE   7           HB       ILE   7  16.866  -8.983 -13.104
   67   1HG1  ILE   7          HG12      ILE   7  16.265  -8.472 -10.775
   68   2HG1  ILE   7          HG13      ILE   7  17.699  -9.461 -10.901
   69   1HG2  ILE   7          HG21      ILE   7  18.884  -8.235 -14.168
   70   2HG2  ILE   7          HG22      ILE   7  19.414  -7.379 -12.699
   71   3HG2  ILE   7          HG23      ILE   7  19.310  -9.159 -12.728
   72   1HD1  ILE   7          HD11      ILE   7  19.145  -7.621 -10.323
   73   2HD1  ILE   7          HD12      ILE   7  17.822  -6.455 -10.436
   74   3HD1  ILE   7          HD13      ILE   7  17.814  -7.663  -9.144
   75    H    VAL   8           H        VAL   8  18.223  -5.656 -14.792
   76    HA   VAL   8           HA       VAL   8  16.513  -6.357 -17.129
   77    HB   VAL   8           HB       VAL   8  17.676  -3.587 -16.630
   78   1HG1  VAL   8          HG11      VAL   8  15.421  -4.560 -18.441
   79   2HG1  VAL   8          HG12      VAL   8  16.028  -2.893 -18.328
   80   3HG1  VAL   8          HG13      VAL   8  17.069  -4.168 -18.973
   81   1HG2  VAL   8          HG21      VAL   8  16.063  -3.850 -14.819
   82   2HG2  VAL   8          HG22      VAL   8  15.379  -2.806 -16.063
   83   3HG2  VAL   8          HG23      VAL   8  14.850  -4.494 -15.955
   84    H    ASP   9           H        ASP   9  17.668  -6.573 -19.066
   85    HA   ASP   9           HA       ASP   9  20.623  -6.258 -19.042
   86   1HB   ASP   9          HB2       ASP   9  20.064  -8.593 -18.392
   87   2HB   ASP   9          HB3       ASP   9  19.030  -8.734 -19.811
   88    H    GLY  10           H        GLY  10  21.483  -6.036 -21.171
   89   1HA   GLY  10          HA2       GLY  10  20.770  -6.244 -23.650
   90   2HA   GLY  10          HA3       GLY  10  19.529  -5.074 -23.184
   91    H    ARG  11           H        ARG  11  20.505  -3.568 -24.681
   92    HA   ARG  11           HA       ARG  11  23.066  -2.331 -23.821
   93   1HB   ARG  11          HB2       ARG  11  22.639  -2.366 -26.259
   94   2HB   ARG  11          HB3       ARG  11  21.109  -1.522 -26.009
   95   1HG   ARG  11          HG2       ARG  11  22.772   0.049 -26.782
   96   2HG   ARG  11          HG3       ARG  11  22.310   0.453 -25.134
   97   1HD   ARG  11          HD2       ARG  11  24.396  -0.681 -24.305
   98   2HD   ARG  11          HD3       ARG  11  24.872  -0.984 -25.977
   99    HE   ARG  11           HE       ARG  11  24.910   1.509 -24.449
  100   1HH1  ARG  11          HH21      ARG  11  25.279   0.064 -27.672
  101   2HH1  ARG  11          HH22      ARG  11  25.895   1.492 -28.414
  102   1HH2  ARG  11          HH11      ARG  11  25.570   3.513 -25.511
  103   2HH2  ARG  11          HH12      ARG  11  26.146   3.448 -27.133
  104    H    VAL  12           H        VAL  12  22.391  -1.969 -21.684
  105    HA   VAL  12           HA       VAL  12  20.382   0.197 -21.324
  106    HB   VAL  12           HB       VAL  12  19.751  -0.943 -19.188
  107   1HG1  VAL  12          HG11      VAL  12  18.379  -1.134 -21.239
  108   2HG1  VAL  12          HG12      VAL  12  19.250  -2.618 -21.683
  109   3HG1  VAL  12          HG13      VAL  12  18.273  -2.566 -20.207
  110   1HG2  VAL  12          HG21      VAL  12  21.774  -2.408 -18.947
  111   2HG2  VAL  12          HG22      VAL  12  20.230  -3.258 -18.778
  112   3HG2  VAL  12          HG23      VAL  12  21.163  -3.406 -20.274
  113    H    GLN  13           H        GLN  13  23.446   0.068 -21.577
  114    HA   GLN  13           HA       GLN  13  23.885   2.073 -19.493
  115   1HB   GLN  13          HB2       GLN  13  25.964  -0.091 -20.102
  116   2HB   GLN  13          HB3       GLN  13  26.170   1.320 -19.085
  117   1HG   GLN  13          HG2       GLN  13  25.808  -0.162 -17.449
  118   2HG   GLN  13          HG3       GLN  13  24.133   0.287 -17.703
  119   1HE2  GLN  13          HE22      GLN  13  24.941  -2.129 -16.459
  120   2HE2  GLN  13          HE21      GLN  13  24.589  -3.489 -17.524
  121    H    GLY  14           H        GLY  14  25.676   3.543 -20.214
  122   1HA   GLY  14          HA2       GLY  14  26.555   4.917 -21.815
  123   2HA   GLY  14          HA3       GLY  14  26.709   3.504 -22.873
  124    H    VAL  15           H        VAL  15  23.586   4.467 -21.564
  125    HA   VAL  15           HA       VAL  15  22.747   5.900 -24.001
  126    HB   VAL  15           HB       VAL  15  20.637   4.443 -24.045
  127   1HG1  VAL  15          HG11      VAL  15  21.581   2.797 -25.512
  128   2HG1  VAL  15          HG12      VAL  15  22.425   4.331 -25.760
  129   3HG1  VAL  15          HG13      VAL  15  23.195   3.032 -24.825
  130   1HG2  VAL  15          HG21      VAL  15  20.959   3.259 -21.869
  131   2HG2  VAL  15          HG22      VAL  15  20.813   2.129 -23.236
  132   3HG2  VAL  15          HG23      VAL  15  22.383   2.449 -22.538
  133    H    GLY  16           H        GLY  16  23.107   6.148 -20.815
  134   1HA   GLY  16          HA2       GLY  16  22.225   7.532 -19.255
  135   2HA   GLY  16          HA3       GLY  16  21.126   8.164 -20.486
  136    H    PHE  17           H        PHE  17  20.902   4.715 -19.917
  137    HA   PHE  17           HA       PHE  17  18.162   4.928 -19.532
  138   1HB   PHE  17          HB2       PHE  17  19.237   2.908 -20.384
  139   2HB   PHE  17          HB3       PHE  17  20.010   2.628 -18.825
  140    HD1  PHE  17           HD2      PHE  17  16.452   3.491 -19.794
  141    HD2  PHE  17           HD1      PHE  17  19.094   0.705 -17.835
  142    HE1  PHE  17           HE2      PHE  17  14.516   2.163 -19.103
  143    HE2  PHE  17           HE1      PHE  17  17.142  -0.701 -17.223
  144    HZ   PHE  17           HZ       PHE  17  14.849  -0.005 -17.881
  145    H    ARG  18           H        ARG  18  20.646   4.680 -16.929
  146    HA   ARG  18           HA       ARG  18  18.676   4.221 -14.892
  147   1HB   ARG  18          HB2       ARG  18  21.415   5.523 -14.598
  148   2HB   ARG  18          HB3       ARG  18  20.389   4.922 -13.281
  149   1HG   ARG  18          HG2       ARG  18  20.460   2.632 -14.280
  150   2HG   ARG  18          HG3       ARG  18  21.564   3.214 -15.524
  151   1HD   ARG  18          HD2       ARG  18  22.097   3.218 -12.524
  152   2HD   ARG  18          HD3       ARG  18  22.739   2.050 -13.678
  153    HE   ARG  18           HE       ARG  18  23.710   4.717 -13.117
  154   1HH1  ARG  18          HH21      ARG  18  23.622   2.283 -15.725
  155   2HH1  ARG  18          HH22      ARG  18  25.055   2.880 -16.479
  156   1HH2  ARG  18          HH11      ARG  18  25.543   5.475 -14.102
  157   2HH2  ARG  18          HH12      ARG  18  26.163   4.777 -15.564
  158    H    TYR  19           H        TYR  19  19.714   7.226 -16.489
  159    HA   TYR  19           HA       TYR  19  18.283   8.927 -14.606
  160   1HB   TYR  19          HB2       TYR  19  19.249   9.506 -17.434
  161   2HB   TYR  19          HB3       TYR  19  18.608  10.678 -16.300
  162    HD1  TYR  19           HD1      TYR  19  19.849  11.187 -14.149
  163    HD2  TYR  19           HD2      TYR  19  21.565   8.803 -17.308
  164    HE1  TYR  19           HE1      TYR  19  22.102  11.523 -13.174
  165    HE2  TYR  19           HE2      TYR  19  23.820   9.125 -16.341
  166    HH   TYR  19           HH       TYR  19  25.068  10.104 -14.632
  167    H    PHE  20           H        PHE  20  17.555   7.323 -17.772
  168    HA   PHE  20           HA       PHE  20  14.998   8.455 -18.174
  169   1HB   PHE  20          HB2       PHE  20  16.232   6.980 -19.802
  170   2HB   PHE  20          HB3       PHE  20  15.828   5.581 -18.808
  171    HD1  PHE  20           HD1      PHE  20  14.336   8.294 -20.899
  172    HD2  PHE  20           HD2      PHE  20  13.715   4.505 -18.928
  173    HE1  PHE  20           HE1      PHE  20  12.181   8.015 -22.102
  174    HE2  PHE  20           HE2      PHE  20  11.575   4.223 -20.149
  175    HZ   PHE  20           HZ       PHE  20  10.800   5.978 -21.730
  176    H    VAL  21           H        VAL  21  15.920   5.461 -16.414
  177    HA   VAL  21           HA       VAL  21  13.369   4.833 -15.380
  178    HB   VAL  21           HB       VAL  21  16.180   4.282 -14.347
  179   1HG1  VAL  21          HG11      VAL  21  15.249   2.442 -13.066
  180   2HG1  VAL  21          HG12      VAL  21  14.505   3.936 -12.527
  181   3HG1  VAL  21          HG13      VAL  21  13.608   2.833 -13.603
  182   1HG2  VAL  21          HG21      VAL  21  15.693   3.331 -16.601
  183   2HG2  VAL  21          HG22      VAL  21  15.867   2.065 -15.393
  184   3HG2  VAL  21          HG23      VAL  21  14.251   2.545 -15.961
  185    H    GLN  22           H        GLN  22  15.983   6.932 -13.986
  186    HA   GLN  22           HA       GLN  22  14.755   7.413 -11.527
  187   1HB   GLN  22          HB2       GLN  22  17.109   8.110 -12.308
  188   2HB   GLN  22          HB3       GLN  22  16.385   9.448 -13.139
  189   1HG   GLN  22          HG2       GLN  22  17.172  10.291 -11.067
  190   2HG   GLN  22          HG3       GLN  22  15.409  10.239 -10.928
  191   1HE2  GLN  22          HE22      GLN  22  17.065   7.174 -10.745
  192   2HE2  GLN  22          HE21      GLN  22  16.917   6.949  -9.013
  193    H    MET  23           H        MET  23  14.366   9.225 -14.596
  194    HA   MET  23           HA       MET  23  12.515  11.116 -13.452
  195   1HB   MET  23          HB2       MET  23  13.146  10.401 -16.343
  196   2HB   MET  23          HB3       MET  23  12.207  11.807 -15.818
  197   1HG   MET  23          HG2       MET  23  14.116  12.683 -14.560
  198   2HG   MET  23          HG3       MET  23  15.079  11.262 -14.928
  199   1HE   MET  23          HE1       MET  23  17.005  13.961 -16.925
  200   2HE   MET  23          HE2       MET  23  16.230  14.127 -15.334
  201   3HE   MET  23          HE3       MET  23  17.098  12.632 -15.748
  202    H    GLU  24           H        GLU  24  12.138   8.008 -15.208
  203    HA   GLU  24           HA       GLU  24   9.286   8.238 -15.427
  204   1HB   GLU  24          HB2       GLU  24  11.283   5.968 -15.700
  205   2HB   GLU  24          HB3       GLU  24   9.555   5.654 -15.762
  206   1HG   GLU  24          HG2       GLU  24  11.015   7.620 -17.585
  207   2HG   GLU  24          HG3       GLU  24  10.542   5.982 -18.024
  208    H    ALA  25           H        ALA  25  11.349   7.172 -12.739
  209    HA   ALA  25           HA       ALA  25   9.089   6.127 -11.210
  210   1HB   ALA  25          HB1       ALA  25  10.665   6.270  -9.312
  211   2HB   ALA  25          HB2       ALA  25  11.429   5.474 -10.696
  212   3HB   ALA  25          HB3       ALA  25  11.819   7.160 -10.320
  213    H    ASP  26           H        ASP  26  10.955   9.189 -11.357
  214    HA   ASP  26           HA       ASP  26   9.611  10.564  -9.303
  215   1HB   ASP  26          HB2       ASP  26  11.744  11.306 -10.231
  216   2HB   ASP  26          HB3       ASP  26  10.984  11.641 -11.790
  217    H    LYS  27           H        LYS  27   8.796  10.374 -12.817
  218    HA   LYS  27           HA       LYS  27   6.653  12.211 -12.551
  219   1HB   LYS  27          HB2       LYS  27   6.188  11.909 -14.782
  220   2HB   LYS  27          HB3       LYS  27   7.908  11.690 -14.626
  221   1HG   LYS  27          HG2       LYS  27   7.552   9.987 -16.020
  222   2HG   LYS  27          HG3       LYS  27   7.219   9.081 -14.543
  223   1HD   LYS  27          HD2       LYS  27   4.846   9.239 -14.881
  224   2HD   LYS  27          HD3       LYS  27   5.002  10.506 -16.092
  225   1HE   LYS  27          HE2       LYS  27   5.981   7.646 -16.490
  226   2HE   LYS  27          HE3       LYS  27   4.397   8.241 -16.991
  227   1HZ   LYS  27          HZ1       LYS  27   7.042   8.996 -18.058
  228   2HZ   LYS  27          HZ2       LYS  27   5.787   8.355 -18.844
  229   3HZ   LYS  27          HZ3       LYS  27   5.689   9.914 -18.366
  230    H    ARG  28           H        ARG  28   6.764   9.231 -11.158
  231    HA   ARG  28           HA       ARG  28   3.791   9.273 -10.806
  232   1HB   ARG  28          HB2       ARG  28   5.739   6.944 -10.855
  233   2HB   ARG  28          HB3       ARG  28   4.111   6.802 -10.208
  234   1HG   ARG  28          HG2       ARG  28   3.141   6.629 -12.235
  235   2HG   ARG  28          HG3       ARG  28   4.110   7.935 -12.936
  236   1HD   ARG  28          HD2       ARG  28   6.038   6.471 -13.085
  237   2HD   ARG  28          HD3       ARG  28   5.111   5.102 -12.435
  238    HE   ARG  28           HE       ARG  28   3.566   5.624 -14.488
  239   1HH1  ARG  28          HH21      ARG  28   7.116   5.902 -14.518
  240   2HH1  ARG  28          HH22      ARG  28   7.223   5.725 -16.244
  241   1HH2  ARG  28          HH11      ARG  28   3.794   5.193 -16.777
  242   2HH2  ARG  28          HH12      ARG  28   5.369   5.058 -17.461
  243    H    LYS  29           H        LYS  29   6.514  10.339  -9.401
  244    HA   LYS  29           HA       LYS  29   7.514  10.393  -7.391
  245   1HB   LYS  29          HB2       LYS  29   4.629  10.592  -6.441
  246   2HB   LYS  29          HB3       LYS  29   6.044  11.129  -5.541
  247   1HG   LYS  29          HG2       LYS  29   5.150  12.289  -8.218
  248   2HG   LYS  29          HG3       LYS  29   4.802  12.972  -6.632
  249   1HD   LYS  29          HD2       LYS  29   7.195  13.354  -6.204
  250   2HD   LYS  29          HD3       LYS  29   7.622  12.550  -7.715
  251   1HE   LYS  29          HE2       LYS  29   7.774  14.890  -8.103
  252   2HE   LYS  29          HE3       LYS  29   6.397  14.265  -9.011
  253   1HZ   LYS  29          HZ1       LYS  29   6.225  15.709  -6.422
  254   2HZ   LYS  29          HZ2       LYS  29   5.883  16.344  -7.881
  255   3HZ   LYS  29          HZ3       LYS  29   4.942  15.162  -7.278
  256    H    LEU  30           H        LEU  30   7.472   7.791  -8.269
  257    HA   LEU  30           HA       LEU  30   6.751   5.998  -6.052
  258   1HB   LEU  30          HB2       LEU  30   8.562   5.673  -8.481
  259   2HB   LEU  30          HB3       LEU  30   8.248   4.390  -7.316
  260    HG   LEU  30           HG       LEU  30   6.089   5.756  -8.978
  261   1HD1  LEU  30          HD11      LEU  30   7.593   4.502 -10.426
  262   2HD1  LEU  30          HD12      LEU  30   7.475   3.083  -9.369
  263   3HD1  LEU  30          HD13      LEU  30   6.051   3.646 -10.276
  264   1HD2  LEU  30          HD21      LEU  30   5.998   3.294  -7.194
  265   2HD2  LEU  30          HD22      LEU  30   5.121   4.830  -6.963
  266   3HD2  LEU  30          HD23      LEU  30   4.707   3.777  -8.314
  267    H    ALA  31           H        ALA  31   8.556   4.760  -4.909
  268    HA   ALA  31           HA       ALA  31  10.923   6.482  -4.381
  269   1HB   ALA  31          HB1       ALA  31   9.156   5.136  -2.287
  270   2HB   ALA  31          HB2       ALA  31  10.673   6.001  -1.970
  271   3HB   ALA  31          HB3       ALA  31   9.267   6.888  -2.586
  272    H    GLY  32           H        GLY  32  12.828   5.285  -3.724
  273   1HA   GLY  32          HA2       GLY  32  13.490   2.757  -3.297
  274   2HA   GLY  32          HA3       GLY  32  12.749   2.565  -4.885
  275    H    TRP  33           H        TRP  33  14.746   1.931  -5.896
  276    HA   TRP  33           HA       TRP  33  16.490   4.186  -6.505
  277   1HB   TRP  33          HB2       TRP  33  18.554   3.031  -6.063
  278   2HB   TRP  33          HB3       TRP  33  17.628   3.216  -4.598
  279    HD1  TRP  33           HD1      TRP  33  18.044   0.323  -7.218
  280    HE1  TRP  33           HE1      TRP  33  18.472  -1.876  -5.957
  281    HE3  TRP  33           HE3      TRP  33  17.789   2.078  -2.403
  282    HZ2  TRP  33           HZ2      TRP  33  18.788  -2.725  -3.264
  283    HZ3  TRP  33           HZ3      TRP  33  18.198   0.538  -0.504
  284    HH2  TRP  33           HH2      TRP  33  18.703  -1.864  -0.913
  285    H    VAL  34           H        VAL  34  17.963   3.791  -8.260
  286    HA   VAL  34           HA       VAL  34  17.608   1.237  -9.722
  287    HB   VAL  34           HB       VAL  34  16.414   2.864 -11.033
  288   1HG1  VAL  34          HG11      VAL  34  17.425   4.959 -10.230
  289   2HG1  VAL  34          HG12      VAL  34  18.919   4.590 -11.113
  290   3HG1  VAL  34          HG13      VAL  34  17.402   4.874 -11.995
  291   1HG2  VAL  34          HG21      VAL  34  19.122   2.321 -12.317
  292   2HG2  VAL  34          HG22      VAL  34  17.740   1.209 -12.266
  293   3HG2  VAL  34          HG23      VAL  34  17.623   2.723 -13.169
  294    H    LYS  35           H        LYS  35  19.622   0.348 -10.403
  295    HA   LYS  35           HA       LYS  35  22.022   1.981 -10.077
  296   1HB   LYS  35          HB2       LYS  35  23.160   0.526  -8.546
  297   2HB   LYS  35          HB3       LYS  35  21.703   1.172  -7.801
  298   1HG   LYS  35          HG2       LYS  35  20.580  -1.047  -8.143
  299   2HG   LYS  35          HG3       LYS  35  22.105  -1.663  -8.832
  300   1HD   LYS  35          HD2       LYS  35  23.249  -0.861  -6.681
  301   2HD   LYS  35          HD3       LYS  35  21.626  -0.605  -6.009
  302   1HE   LYS  35          HE2       LYS  35  21.121  -2.998  -6.283
  303   2HE   LYS  35          HE3       LYS  35  22.664  -3.253  -7.108
  304   1HZ   LYS  35          HZ1       LYS  35  23.768  -2.500  -5.029
  305   2HZ   LYS  35          HZ2       LYS  35  22.315  -2.489  -4.273
  306   3HZ   LYS  35          HZ3       LYS  35  22.922  -3.896  -4.846
  307    H    ASN  36           H        ASN  36  23.869   1.089 -11.063
  308    HA   ASN  36           HA       ASN  36  23.413  -0.935 -13.162
  309   1HB   ASN  36          HB2       ASN  36  25.005   0.981 -13.509
  310   2HB   ASN  36          HB3       ASN  36  25.976   0.395 -12.153
  311   1HD2  ASN  36          HD22      ASN  36  27.759  -0.819 -12.856
  312   2HD2  ASN  36          HD21      ASN  36  27.726  -1.873 -14.247
  313    H    ARG  37           H        ARG  37  24.522  -3.062 -13.090
  314    HA   ARG  37           HA       ARG  37  25.519  -3.856 -10.379
  315   1HB   ARG  37          HB2       ARG  37  24.040  -5.512 -12.478
  316   2HB   ARG  37          HB3       ARG  37  24.998  -6.212 -11.173
  317   1HG   ARG  37          HG2       ARG  37  23.606  -5.071  -9.491
  318   2HG   ARG  37          HG3       ARG  37  22.582  -4.387 -10.768
  319   1HD   ARG  37          HD2       ARG  37  21.693  -6.508 -11.360
  320   2HD   ARG  37          HD3       ARG  37  23.041  -7.375 -10.600
  321    HE   ARG  37           HE       ARG  37  21.258  -5.783  -8.833
  322   1HH1  ARG  37          HH11      ARG  37  22.164  -9.058  -9.936
  323   2HH1  ARG  37          HH12      ARG  37  21.461  -9.826  -8.563
  324   1HH2  ARG  37          HH21      ARG  37  20.390  -6.724  -7.148
  325   2HH2  ARG  37          HH22      ARG  37  20.397  -8.461  -6.882
  326    H    ASP  38           H        ASP  38  27.593  -4.564 -10.362
  327    HA   ASP  38           HA       ASP  38  29.354  -3.965 -12.478
  328   1HB   ASP  38          HB2       ASP  38  30.036  -4.098 -10.132
  329   2HB   ASP  38          HB3       ASP  38  29.686  -5.829 -10.098
  330    H    ASP  39           H        ASP  39  27.540  -6.891 -11.808
  331    HA   ASP  39           HA       ASP  39  28.843  -8.796 -13.417
  332   1HB   ASP  39          HB2       ASP  39  27.032  -9.349 -11.887
  333   2HB   ASP  39          HB3       ASP  39  25.898  -8.353 -12.805
  334    H    GLY  40           H        GLY  40  26.860  -6.018 -14.393
  335   1HA   GLY  40          HA2       GLY  40  27.217  -5.225 -16.679
  336   2HA   GLY  40          HA3       GLY  40  26.982  -6.880 -17.259
  337    H    ARG  41           H        ARG  41  24.747  -6.864 -14.927
  338    HA   ARG  41           HA       ARG  41  22.504  -6.020 -16.634
  339   1HB   ARG  41          HB2       ARG  41  22.957  -7.522 -14.044
  340   2HB   ARG  41          HB3       ARG  41  21.395  -6.783 -14.279
  341   1HG   ARG  41          HG2       ARG  41  21.790  -9.260 -14.971
  342   2HG   ARG  41          HG3       ARG  41  20.736  -8.200 -15.892
  343   1HD   ARG  41          HD2       ARG  41  21.931  -9.536 -17.432
  344   2HD   ARG  41          HD3       ARG  41  22.513  -7.880 -17.592
  345    HE   ARG  41           HE       ARG  41  24.147  -9.500 -15.796
  346   1HH1  ARG  41          HH21      ARG  41  23.618  -8.720 -19.271
  347   2HH1  ARG  41          HH22      ARG  41  25.178  -9.318 -19.724
  348   1HH2  ARG  41          HH11      ARG  41  26.105 -10.134 -16.382
  349   2HH2  ARG  41          HH12      ARG  41  26.672 -10.152 -18.037
  350    H    VAL  42           H        VAL  42  20.715  -4.867 -15.358
  351    HA   VAL  42           HA       VAL  42  21.739  -2.658 -13.648
  352    HB   VAL  42           HB       VAL  42  19.737  -2.494 -15.948
  353   1HG1  VAL  42          HG11      VAL  42  19.509  -0.080 -15.416
  354   2HG1  VAL  42          HG12      VAL  42  18.872  -1.092 -14.125
  355   3HG1  VAL  42          HG13      VAL  42  20.462  -0.313 -13.937
  356   1HG2  VAL  42          HG21      VAL  42  22.084  -2.342 -16.670
  357   2HG2  VAL  42          HG22      VAL  42  21.289  -0.778 -16.840
  358   3HG2  VAL  42          HG23      VAL  42  22.397  -1.066 -15.480
  359    H    GLU  43           H        GLU  43  20.104  -2.025 -12.056
  360    HA   GLU  43           HA       GLU  43  17.999  -4.063 -11.559
  361   1HB   GLU  43          HB2       GLU  43  19.860  -4.668 -10.176
  362   2HB   GLU  43          HB3       GLU  43  20.156  -2.985  -9.711
  363   1HG   GLU  43          HG2       GLU  43  17.915  -2.964  -8.541
  364   2HG   GLU  43          HG3       GLU  43  17.762  -4.689  -8.892
  365    H    ILE  44           H        ILE  44  16.166  -3.242 -10.667
  366    HA   ILE  44           HA       ILE  44  15.994  -0.365  -9.989
  367    HB   ILE  44           HB       ILE  44  13.523  -1.701 -10.950
  368   1HG1  ILE  44          HG12      ILE  44  14.949  -2.536 -12.760
  369   2HG1  ILE  44          HG13      ILE  44  13.702  -1.425 -13.265
  370   1HG2  ILE  44          HG21      ILE  44  13.450   0.555 -10.177
  371   2HG2  ILE  44          HG22      ILE  44  14.693   1.059 -11.335
  372   3HG2  ILE  44          HG23      ILE  44  13.089   0.546 -11.910
  373   1HD1  ILE  44          HD11      ILE  44  15.306   0.348 -13.646
  374   2HD1  ILE  44          HD12      ILE  44  16.626  -0.640 -12.985
  375   3HD1  ILE  44          HD13      ILE  44  15.829  -1.106 -14.489
  376    H    LEU  45           H        LEU  45  14.706  -0.067  -8.072
  377    HA   LEU  45           HA       LEU  45  13.217  -2.375  -6.997
  378   1HB   LEU  45          HB2       LEU  45  15.649  -2.300  -6.077
  379   2HB   LEU  45          HB3       LEU  45  15.166  -0.841  -5.221
  380    HG   LEU  45           HG       LEU  45  13.842  -3.587  -4.960
  381   1HD1  LEU  45          HD11      LEU  45  15.024  -3.778  -2.833
  382   2HD1  LEU  45          HD12      LEU  45  16.189  -3.530  -4.142
  383   3HD1  LEU  45          HD13      LEU  45  15.766  -2.181  -3.069
  384   1HD2  LEU  45          HD21      LEU  45  13.446  -1.035  -3.342
  385   2HD2  LEU  45          HD22      LEU  45  12.214  -1.939  -4.258
  386   3HD2  LEU  45          HD23      LEU  45  12.904  -2.652  -2.825
  387    H    ALA  46           H        ALA  46  11.224  -1.529  -6.284
  388    HA   ALA  46           HA       ALA  46  11.076   1.365  -5.728
  389   1HB   ALA  46          HB1       ALA  46   9.404   0.041  -7.899
  390   2HB   ALA  46          HB2       ALA  46   9.327   1.738  -7.385
  391   3HB   ALA  46          HB3       ALA  46  10.780   1.127  -8.196
  392    H    GLU  47           H        GLU  47   9.083   2.006  -4.830
  393    HA   GLU  47           HA       GLU  47   7.130  -0.018  -3.929
  394   1HB   GLU  47          HB2       GLU  47   8.767   0.375  -2.095
  395   2HB   GLU  47          HB3       GLU  47   8.509   2.120  -2.237
  396   1HG   GLU  47          HG2       GLU  47   6.078   1.746  -1.638
  397   2HG   GLU  47          HG3       GLU  47   6.459   0.042  -1.372
  398    H    GLY  48           H        GLY  48   5.012   0.847  -3.932
  399   1HA   GLY  48          HA2       GLY  48   4.156   3.402  -3.610
  400   2HA   GLY  48          HA3       GLY  48   4.593   3.384  -5.318
  401    HA   PRO  49           HA       PRO  49   0.139   1.944  -4.985
  402   1HB   PRO  49          HB2       PRO  49   0.123   3.673  -7.456
  403   2HB   PRO  49          HB3       PRO  49  -1.130   3.503  -6.192
  404   1HG   PRO  49          HG2       PRO  49   0.490   5.683  -6.252
  405   2HG   PRO  49          HG3       PRO  49   0.085   4.897  -4.691
  406   1HD   PRO  49          HD2       PRO  49   2.600   4.592  -6.348
  407   2HD   PRO  49          HD3       PRO  49   2.430   4.816  -4.580
  408    H    GLU  50           H        GLU  50  -0.378   0.014  -6.033
  409    HA   GLU  50           HA       GLU  50   1.589  -1.153  -7.648
  410   1HB   GLU  50          HB2       GLU  50   0.189  -3.074  -7.795
  411   2HB   GLU  50          HB3       GLU  50   0.240  -2.440  -6.163
  412   1HG   GLU  50          HG2       GLU  50  -2.064  -2.049  -8.077
  413   2HG   GLU  50          HG3       GLU  50  -1.933  -3.324  -6.856
  414    H    ASN  51           H        ASN  51  -1.253   0.674  -8.700
  415    HA   ASN  51           HA       ASN  51  -1.095  -0.207 -11.471
  416   1HB   ASN  51          HB2       ASN  51  -3.133   0.854 -10.617
  417   2HB   ASN  51          HB3       ASN  51  -2.246   2.333 -10.235
  418   1HD2  ASN  51          HD22      ASN  51  -2.240   3.925 -11.850
  419   2HD2  ASN  51          HD21      ASN  51  -2.573   3.614 -13.530
  420    H    ALA  52           H        ALA  52   0.354   2.473  -9.585
  421    HA   ALA  52           HA       ALA  52   1.629   3.748 -11.836
  422   1HB   ALA  52          HB1       ALA  52   2.264   3.846  -8.847
  423   2HB   ALA  52          HB2       ALA  52   2.937   4.910 -10.088
  424   3HB   ALA  52          HB3       ALA  52   1.198   4.961  -9.738
  425    H    LEU  53           H        LEU  53   2.634   1.278  -9.426
  426    HA   LEU  53           HA       LEU  53   5.298   0.953 -10.354
  427   1HB   LEU  53          HB2       LEU  53   3.323  -0.867  -8.939
  428   2HB   LEU  53          HB3       LEU  53   4.915  -1.432  -9.372
  429    HG   LEU  53           HG       LEU  53   4.435   0.991  -7.593
  430   1HD1  LEU  53          HD11      LEU  53   3.631  -1.034  -6.492
  431   2HD1  LEU  53          HD12      LEU  53   5.134  -1.902  -6.905
  432   3HD1  LEU  53          HD13      LEU  53   5.163  -0.535  -5.775
  433   1HD2  LEU  53          HD21      LEU  53   6.975  -0.622  -8.115
  434   2HD2  LEU  53          HD22      LEU  53   6.665   1.016  -8.717
  435   3HD2  LEU  53          HD23      LEU  53   6.806   0.735  -6.984
  436    H    GLN  54           H        GLN  54   2.276  -0.844 -11.351
  437    HA   GLN  54           HA       GLN  54   3.608  -2.464 -13.269
  438   1HB   GLN  54          HB2       GLN  54   0.763  -1.430 -13.053
  439   2HB   GLN  54          HB3       GLN  54   1.275  -2.478 -14.382
  440   1HG   GLN  54          HG2       GLN  54   1.854  -4.278 -12.916
  441   2HG   GLN  54          HG3       GLN  54   1.745  -3.263 -11.480
  442   1HE2  GLN  54          HE22      GLN  54  -0.339  -2.523 -10.762
  443   2HE2  GLN  54          HE21      GLN  54  -1.805  -3.410 -11.176
  444    H    SER  55           H        SER  55   2.188   0.816 -13.620
  445    HA   SER  55           HA       SER  55   2.779   1.143 -16.382
  446   1HB   SER  55          HB2       SER  55   2.701   3.279 -14.210
  447   2HB   SER  55          HB3       SER  55   2.460   3.505 -15.951
  448    HG   SER  55           HG       SER  55   0.784   2.125 -14.105
  449    H    PHE  56           H        PHE  56   4.806   1.647 -13.452
  450    HA   PHE  56           HA       PHE  56   7.002   2.732 -14.900
  451   1HB   PHE  56          HB2       PHE  56   6.596   3.104 -12.519
  452   2HB   PHE  56          HB3       PHE  56   6.884   1.408 -12.178
  453    HD1  PHE  56           HD1      PHE  56   8.887   3.734 -14.399
  454    HD2  PHE  56           HD2      PHE  56   8.720   1.492 -10.712
  455    HE1  PHE  56           HE1      PHE  56  11.244   4.311 -13.924
  456    HE2  PHE  56           HE2      PHE  56  11.077   2.090 -10.252
  457    HZ   PHE  56           HZ       PHE  56  12.326   3.517 -11.834
  458    H    VAL  57           H        VAL  57   6.080  -0.707 -14.104
  459    HA   VAL  57           HA       VAL  57   8.486  -1.793 -15.199
  460    HB   VAL  57           HB       VAL  57   5.773  -3.126 -15.495
  461   1HG1  VAL  57          HG11      VAL  57   8.609  -4.223 -15.263
  462   2HG1  VAL  57          HG12      VAL  57   7.128  -5.199 -15.387
  463   3HG1  VAL  57          HG13      VAL  57   7.625  -4.179 -16.737
  464   1HG2  VAL  57          HG21      VAL  57   7.629  -3.127 -13.090
  465   2HG2  VAL  57          HG22      VAL  57   5.927  -2.640 -13.139
  466   3HG2  VAL  57          HG23      VAL  57   6.346  -4.333 -13.347
  467    H    GLU  58           H        GLU  58   5.376  -0.769 -16.768
  468    HA   GLU  58           HA       GLU  58   6.133  -1.580 -19.366
  469   1HB   GLU  58          HB2       GLU  58   4.260   0.649 -18.498
  470   2HB   GLU  58          HB3       GLU  58   4.495   0.144 -20.171
  471   1HG   GLU  58          HG2       GLU  58   3.809  -2.170 -19.572
  472   2HG   GLU  58          HG3       GLU  58   3.499  -1.649 -17.918
  473    H    ALA  59           H        ALA  59   6.827   1.506 -17.633
  474    HA   ALA  59           HA       ALA  59   8.239   2.702 -19.783
  475   1HB   ALA  59          HB1       ALA  59   9.212   4.139 -18.075
  476   2HB   ALA  59          HB2       ALA  59   7.478   3.915 -17.776
  477   3HB   ALA  59          HB3       ALA  59   8.677   3.050 -16.786
  478    H    VAL  60           H        VAL  60   9.455   0.694 -17.030
  479    HA   VAL  60           HA       VAL  60  12.194   0.883 -17.704
  480    HB   VAL  60           HB       VAL  60  10.551  -1.080 -16.073
  481   1HG1  VAL  60          HG11      VAL  60  13.594  -1.040 -16.196
  482   2HG1  VAL  60          HG12      VAL  60  12.576  -2.010 -15.110
  483   3HG1  VAL  60          HG13      VAL  60  12.560  -2.336 -16.835
  484   1HG2  VAL  60          HG21      VAL  60  12.635   0.979 -15.208
  485   2HG2  VAL  60          HG22      VAL  60  10.899   1.298 -15.232
  486   3HG2  VAL  60          HG23      VAL  60  11.543   0.051 -14.162
  487    H    LYS  61           H        LYS  61   9.760  -1.648 -18.606
  488    HA   LYS  61           HA       LYS  61  11.712  -3.304 -19.827
  489   1HB   LYS  61          HB2       LYS  61   9.959  -4.702 -20.489
  490   2HB   LYS  61          HB3       LYS  61   9.430  -3.992 -18.962
  491   1HG   LYS  61          HG2       LYS  61   8.005  -2.382 -20.239
  492   2HG   LYS  61          HG3       LYS  61   8.506  -3.163 -21.751
  493   1HD   LYS  61          HD2       LYS  61   7.603  -5.338 -20.866
  494   2HD   LYS  61          HD3       LYS  61   6.979  -4.459 -19.454
  495   1HE   LYS  61          HE2       LYS  61   5.612  -3.023 -20.968
  496   2HE   LYS  61          HE3       LYS  61   6.262  -3.881 -22.369
  497   1HZ   LYS  61          HZ1       LYS  61   4.606  -5.127 -20.246
  498   2HZ   LYS  61          HZ2       LYS  61   4.095  -4.733 -21.744
  499   3HZ   LYS  61          HZ3       LYS  61   5.208  -5.903 -21.553
  500    H    ASN  62           H        ASN  62  10.168  -0.433 -21.076
  501    HA   ASN  62           HA       ASN  62  10.622  -0.977 -23.883
  502   1HB   ASN  62          HB2       ASN  62   9.114   0.845 -23.017
  503   2HB   ASN  62          HB3       ASN  62  10.539   1.706 -22.425
  504   1HD2  ASN  62          HD22      ASN  62  11.749   2.942 -23.855
  505   2HD2  ASN  62          HD21      ASN  62  11.350   3.108 -25.561
  506    H    GLY  63           H        GLY  63  12.660   0.036 -21.179
  507   1HA   GLY  63          HA2       GLY  63  14.870   0.732 -21.084
  508   2HA   GLY  63          HA3       GLY  63  15.038   0.523 -22.829
  509    H    SER  64           H        SER  64  16.076   2.862 -22.164
  510    HA   SER  64           HA       SER  64  14.126   5.012 -22.578
  511   1HB   SER  64          HB2       SER  64  16.843   5.357 -23.705
  512   2HB   SER  64          HB3       SER  64  15.896   6.425 -22.665
  513    HG   SER  64           HG       SER  64  17.557   4.244 -22.020
  514    HA   PRO  65           HA       PRO  65  13.559   4.242 -27.050
  515   1HB   PRO  65          HB2       PRO  65  14.468   7.130 -27.216
  516   2HB   PRO  65          HB3       PRO  65  13.179   6.308 -28.152
  517   1HG   PRO  65          HG2       PRO  65  12.536   7.824 -25.997
  518   2HG   PRO  65          HG3       PRO  65  11.737   6.240 -26.246
  519   1HD   PRO  65          HD2       PRO  65  13.944   6.945 -24.321
  520   2HD   PRO  65          HD3       PRO  65  12.572   5.799 -24.126
  521    H    PHE  66           H        PHE  66  16.528   5.877 -25.857
  522    HA   PHE  66           HA       PHE  66  18.183   5.191 -28.101
  523   1HB   PHE  66          HB2       PHE  66  19.047   5.769 -25.247
  524   2HB   PHE  66          HB3       PHE  66  19.994   5.982 -26.710
  525    HD1  PHE  66           HD1      PHE  66  18.754   7.622 -28.538
  526    HD2  PHE  66           HD2      PHE  66  18.194   7.706 -24.255
  527    HE1  PHE  66           HE1      PHE  66  17.956   9.968 -28.682
  528    HE2  PHE  66           HE2      PHE  66  17.391  10.047 -24.411
  529    HZ   PHE  66           HZ       PHE  66  17.269  11.184 -26.622
  530    H    SER  67           H        SER  67  17.208   3.413 -25.203
  531    HA   SER  67           HA       SER  67  19.488   1.604 -25.109
  532   1HB   SER  67          HB2       SER  67  16.789   1.381 -23.739
  533   2HB   SER  67          HB3       SER  67  18.330   0.742 -23.173
  534    HG   SER  67           HG       SER  67  19.012   2.948 -22.912
  535    H    LYS  68           H        LYS  68  18.874  -0.827 -24.938
  536    HA   LYS  68           HA       LYS  68  16.280  -1.503 -26.009
  537   1HB   LYS  68          HB2       LYS  68  17.076  -3.413 -27.402
  538   2HB   LYS  68          HB3       LYS  68  17.260  -1.816 -28.112
  539   1HG   LYS  68          HG2       LYS  68  19.644  -1.821 -27.758
  540   2HG   LYS  68          HG3       LYS  68  19.570  -3.324 -26.815
  541   1HD   LYS  68          HD2       LYS  68  18.764  -4.556 -28.780
  542   2HD   LYS  68          HD3       LYS  68  18.801  -3.061 -29.746
  543   1HE   LYS  68          HE2       LYS  68  21.248  -2.865 -29.328
  544   2HE   LYS  68          HE3       LYS  68  21.206  -4.357 -28.379
  545   1HZ   LYS  68          HZ1       LYS  68  20.559  -4.156 -31.266
  546   2HZ   LYS  68          HZ2       LYS  68  21.933  -4.769 -30.642
  547   3HZ   LYS  68          HZ3       LYS  68  20.519  -5.536 -30.390
  548    H    VAL  69           H        VAL  69  15.481  -2.584 -24.350
  549    HA   VAL  69           HA       VAL  69  17.103  -4.246 -22.559
  550    HB   VAL  69           HB       VAL  69  14.085  -3.945 -22.941
  551   1HG1  VAL  69          HG11      VAL  69  13.908  -5.016 -20.691
  552   2HG1  VAL  69          HG12      VAL  69  14.549  -6.118 -21.909
  553   3HG1  VAL  69          HG13      VAL  69  15.653  -5.363 -20.743
  554   1HG2  VAL  69          HG21      VAL  69  15.950  -2.750 -20.844
  555   2HG2  VAL  69          HG22      VAL  69  15.099  -1.861 -22.116
  556   3HG2  VAL  69          HG23      VAL  69  14.178  -2.635 -20.828
  557    H    THR  70           H        THR  70  17.494  -6.426 -22.942
  558    HA   THR  70           HA       THR  70  16.046  -7.734 -25.200
  559    HB   THR  70           HB       THR  70  18.097  -9.062 -25.538
  560    HG1  THR  70           HG1      THR  70  19.171  -8.965 -23.638
  561   1HG2  THR  70          HG21      THR  70  17.726  -6.950 -26.840
  562   2HG2  THR  70          HG22      THR  70  18.663  -6.058 -25.621
  563   3HG2  THR  70          HG23      THR  70  19.441  -7.322 -26.596
  564    H    ASP  71           H        ASP  71  16.784  -7.822 -21.764
  565    HA   ASP  71           HA       ASP  71  14.806  -9.924 -21.492
  566   1HB   ASP  71          HB2       ASP  71  16.834 -11.313 -21.704
  567   2HB   ASP  71          HB3       ASP  71  17.640 -10.363 -20.458
  568    H    ILE  72           H        ILE  72  13.972  -9.962 -19.311
  569    HA   ILE  72           HA       ILE  72  14.920  -8.032 -17.365
  570    HB   ILE  72           HB       ILE  72  13.655  -6.563 -18.772
  571   1HG1  ILE  72          HG12      ILE  72  11.909  -7.202 -16.363
  572   2HG1  ILE  72          HG13      ILE  72  13.451  -6.349 -16.292
  573   1HG2  ILE  72          HG21      ILE  72  11.299  -6.849 -19.380
  574   2HG2  ILE  72          HG22      ILE  72  12.238  -8.196 -19.995
  575   3HG2  ILE  72          HG23      ILE  72  11.242  -8.411 -18.539
  576   1HD1  ILE  72          HD11      ILE  72  10.928  -5.401 -17.695
  577   2HD1  ILE  72          HD12      ILE  72  11.684  -4.720 -16.254
  578   3HD1  ILE  72          HD13      ILE  72  12.512  -4.592 -17.819
  579    H    SER  73           H        SER  73  14.092  -8.490 -15.300
  580    HA   SER  73           HA       SER  73  12.411 -10.919 -14.922
  581   1HB   SER  73          HB2       SER  73  15.127 -10.295 -13.647
  582   2HB   SER  73          HB3       SER  73  14.077 -11.660 -13.225
  583    HG   SER  73           HG       SER  73  15.729 -12.252 -14.696
  584    H    VAL  74           H        VAL  74  11.184 -10.806 -12.959
  585    HA   VAL  74           HA       VAL  74  11.337  -8.276 -11.400
  586    HB   VAL  74           HB       VAL  74   8.832  -9.526 -12.621
  587   1HG1  VAL  74          HG11      VAL  74   7.682  -7.451 -11.812
  588   2HG1  VAL  74          HG12      VAL  74   8.243  -8.487 -10.507
  589   3HG1  VAL  74          HG13      VAL  74   9.147  -7.017 -10.910
  590   1HG2  VAL  74          HG21      VAL  74  10.044  -8.427 -14.399
  591   2HG2  VAL  74          HG22      VAL  74   8.662  -7.426 -13.960
  592   3HG2  VAL  74          HG23      VAL  74  10.289  -6.975 -13.410
  593    H    THR  75           H        THR  75  10.816  -8.518  -9.249
  594    HA   THR  75           HA       THR  75   9.506 -11.001  -8.305
  595    HB   THR  75           HB       THR  75  11.799  -9.686  -6.787
  596    HG1  THR  75           HG1      THR  75  12.681 -10.450  -8.708
  597   1HG2  THR  75          HG21      THR  75  10.325 -11.149  -5.487
  598   2HG2  THR  75          HG22      THR  75  10.561 -12.473  -6.649
  599   3HG2  THR  75          HG23      THR  75  11.922 -11.885  -5.662
  600    H    GLU  76           H        GLU  76   7.600 -10.193  -7.351
  601    HA   GLU  76           HA       GLU  76   7.496  -7.434  -6.369
  602   1HB   GLU  76          HB2       GLU  76   5.283  -7.952  -5.588
  603   2HB   GLU  76          HB3       GLU  76   5.449  -8.372  -7.289
  604   1HG   GLU  76          HG2       GLU  76   5.536 -10.732  -6.788
  605   2HG   GLU  76          HG3       GLU  76   5.675 -10.432  -5.052
  606    H    SER  77           H        SER  77   7.137  -6.977  -4.130
  607    HA   SER  77           HA       SER  77   8.122  -8.934  -2.140
  608   1HB   SER  77          HB2       SER  77   9.275  -6.155  -2.614
  609   2HB   SER  77          HB3       SER  77   9.683  -7.219  -1.255
  610    HG   SER  77           HG       SER  77  11.230  -7.367  -2.912
  611    H    ARG  78           H        ARG  78   7.562  -8.241   0.042
  612    HA   ARG  78           HA       ARG  78   5.495  -6.134   0.262
  613   1HB   ARG  78          HB2       ARG  78   5.028  -9.047   1.068
  614   2HB   ARG  78          HB3       ARG  78   3.938  -7.686   1.383
  615   1HG   ARG  78          HG2       ARG  78   3.755  -7.313  -1.098
  616   2HG   ARG  78          HG3       ARG  78   4.713  -8.783  -1.354
  617   1HD   ARG  78          HD2       ARG  78   2.970 -10.096  -0.158
  618   2HD   ARG  78          HD3       ARG  78   2.002  -8.614  -0.014
  619    HE   ARG  78           HE       ARG  78   2.911  -9.453  -2.727
  620   1HH1  ARG  78          HH21      ARG  78   0.149  -9.291  -0.476
  621   2HH1  ARG  78          HH22      ARG  78  -1.020  -9.509  -1.727
  622   1HH2  ARG  78          HH11      ARG  78   1.481  -9.747  -4.273
  623   2HH2  ARG  78          HH12      ARG  78  -0.253  -9.786  -4.000
  624    H    SER  79           H        SER  79   8.107  -5.975   1.011
  625    HA   SER  79           HA       SER  79   8.167  -6.125   3.976
  626   1HB   SER  79          HB2       SER  79  10.351  -7.125   2.093
  627   2HB   SER  79          HB3       SER  79  10.405  -7.117   3.863
  628    HG   SER  79           HG       SER  79   8.737  -8.641   3.880
  629    H    LEU  80           H        LEU  80   7.512  -3.944   3.347
  630    HA   LEU  80           HA       LEU  80   8.392  -2.431   1.339
  631   1HB   LEU  80          HB2       LEU  80   7.449  -1.442   4.055
  632   2HB   LEU  80          HB3       LEU  80   7.492  -0.460   2.609
  633    HG   LEU  80           HG       LEU  80   5.750  -2.902   3.088
  634   1HD1  LEU  80          HD11      LEU  80   5.029  -0.812   4.186
  635   2HD1  LEU  80          HD12      LEU  80   5.060   0.028   2.621
  636   3HD1  LEU  80          HD13      LEU  80   3.905  -1.294   2.906
  637   1HD2  LEU  80          HD21      LEU  80   6.346  -2.987   0.730
  638   2HD2  LEU  80          HD22      LEU  80   4.696  -2.387   0.876
  639   3HD2  LEU  80          HD23      LEU  80   6.019  -1.247   0.547
  640    H    GLU  81           H        GLU  81   9.563  -0.558   0.978
  641    HA   GLU  81           HA       GLU  81  12.261  -0.457   2.152
  642   1HB   GLU  81          HB2       GLU  81  10.848   1.278   0.054
  643   2HB   GLU  81          HB3       GLU  81  12.536   1.399   0.507
  644   1HG   GLU  81          HG2       GLU  81  11.218  -0.937  -0.910
  645   2HG   GLU  81          HG3       GLU  81  12.309   0.250  -1.607
  646    H    GLY  82           H        GLY  82   9.156   1.294   2.130
  647   1HA   GLY  82          HA2       GLY  82   8.326   2.996   3.401
  648   2HA   GLY  82          HA3       GLY  82   9.579   2.667   4.612
  649    H    HIS  83           H        HIS  83  10.605   3.418   1.341
  650    HA   HIS  83           HA       HIS  83  12.086   5.760   2.237
  651   1HB   HIS  83          HB2       HIS  83  11.777   4.261  -0.395
  652   2HB   HIS  83          HB3       HIS  83  12.634   5.789  -0.298
  653    HD1  HIS  83           HD1      HIS  83  13.105   3.102   2.475
  654    HD2  HIS  83           HD2      HIS  83  15.006   4.840  -0.868
  655    HE1  HIS  83           HE1      HIS  83  15.520   2.328   2.539
  656    H    HIS  84           H        HIS  84  11.972   7.806   0.966
  657    HA   HIS  84           HA       HIS  84   9.167   8.567   0.283
  658   1HB   HIS  84          HB2       HIS  84   9.533  10.644   1.485
  659   2HB   HIS  84          HB3       HIS  84   9.806   9.274   2.550
  660    HD1  HIS  84           HD1      HIS  84  11.840  11.980   0.662
  661    HD2  HIS  84           HD2      HIS  84  12.210   9.056   3.670
  662    HE1  HIS  84           HE1      HIS  84  14.131  12.328   1.719
  663    H    ARG  85           H        ARG  85  12.067   8.106  -1.196
  664    HA   ARG  85           HA       ARG  85  11.446  10.033  -3.292
  665   1HB   ARG  85          HB2       ARG  85  13.748  10.860  -3.451
  666   2HB   ARG  85          HB3       ARG  85  13.009  11.362  -1.941
  667   1HG   ARG  85          HG2       ARG  85  14.294   9.833  -0.637
  668   2HG   ARG  85          HG3       ARG  85  14.801   8.890  -2.044
  669   1HD   ARG  85          HD2       ARG  85  15.606  11.773  -1.545
  670   2HD   ARG  85          HD3       ARG  85  16.596  10.355  -1.140
  671    HE   ARG  85           HE       ARG  85  16.245   9.785  -3.670
  672   1HH1  ARG  85          HH21      ARG  85  17.202  12.921  -2.313
  673   2HH1  ARG  85          HH22      ARG  85  17.741  13.555  -3.824
  674   1HH2  ARG  85          HH11      ARG  85  16.668  10.684  -5.647
  675   2HH2  ARG  85          HH12      ARG  85  17.530  12.192  -5.795
  676    H    PHE  86           H        PHE  86  12.846   9.517  -5.240
  677    HA   PHE  86           HA       PHE  86  13.624   6.655  -5.297
  678   1HB   PHE  86          HB2       PHE  86  11.932   7.739  -7.028
  679   2HB   PHE  86          HB3       PHE  86  13.384   8.397  -7.743
  680    HD1  PHE  86           HD2      PHE  86  11.875   5.154  -6.540
  681    HD2  PHE  86           HD1      PHE  86  14.464   7.080  -9.343
  682    HE1  PHE  86           HE2      PHE  86  12.295   2.967  -7.635
  683    HE2  PHE  86           HE1      PHE  86  14.913   4.899 -10.453
  684    HZ   PHE  86           HZ       PHE  86  13.826   2.833  -9.588
  685    H    SER  87           H        SER  87  15.821   6.214  -6.025
  686    HA   SER  87           HA       SER  87  17.635   8.588  -6.248
  687   1HB   SER  87          HB2       SER  87  18.007   6.129  -4.492
  688   2HB   SER  87          HB3       SER  87  19.147   7.478  -4.658
  689    HG   SER  87           HG       SER  87  17.779   7.656  -2.808
  690    H    ILE  88           H        ILE  88  19.779   8.112  -7.113
  691    HA   ILE  88           HA       ILE  88  19.913   5.675  -8.827
  692    HB   ILE  88           HB       ILE  88  21.644   8.162  -9.140
  693   1HG1  ILE  88          HG12      ILE  88  19.208   7.396 -10.796
  694   2HG1  ILE  88          HG13      ILE  88  19.309   8.784  -9.692
  695   1HG2  ILE  88          HG21      ILE  88  22.286   7.119 -11.263
  696   2HG2  ILE  88          HG22      ILE  88  22.513   5.931  -9.985
  697   3HG2  ILE  88          HG23      ILE  88  21.084   5.835 -11.041
  698   1HD1  ILE  88          HD11      ILE  88  21.121   9.733 -11.145
  699   2HD1  ILE  88          HD12      ILE  88  20.793   8.430 -12.318
  700   3HD1  ILE  88          HD13      ILE  88  19.531   9.594 -11.923
  701    H    VAL  89           H        VAL  89  21.427   4.222  -8.146
  702    HA   VAL  89           HA       VAL  89  23.235   4.920  -5.881
  703    HB   VAL  89           HB       VAL  89  21.204   2.653  -6.176
  704   1HG1  VAL  89          HG11      VAL  89  21.865   1.941  -3.888
  705   2HG1  VAL  89          HG12      VAL  89  23.130   1.671  -5.074
  706   3HG1  VAL  89          HG13      VAL  89  23.243   3.058  -3.950
  707   1HG2  VAL  89          HG21      VAL  89  20.163   4.730  -5.443
  708   2HG2  VAL  89          HG22      VAL  89  20.235   3.604  -4.090
  709   3HG2  VAL  89          HG23      VAL  89  21.396   4.946  -4.181
  710    H    TYR  90           H        TYR  90  25.033   3.364  -5.676
  711    HA   TYR  90           HA       TYR  90  25.549   1.615  -8.012
  712   1HB   TYR  90          HB2       TYR  90  27.409   3.800  -6.988
  713   2HB   TYR  90          HB3       TYR  90  27.899   2.527  -8.095
  714    HD1  TYR  90           HD2      TYR  90  26.856   2.321 -10.367
  715    HD2  TYR  90           HD1      TYR  90  26.201   5.751  -7.831
  716    HE1  TYR  90           HE2      TYR  90  26.013   3.589 -12.312
  717    HE2  TYR  90           HE1      TYR  90  25.342   7.029  -9.770
  718    HH   TYR  90           HH       TYR  90  24.878   6.998 -12.049
  719    H    SER  91           H        SER  91  25.211   1.732  -4.735
  720    HA   SER  91           HA       SER  91  27.463   0.480  -3.643
  721   1HB   SER  91          HB2       SER  91  24.558   0.096  -2.820
  722   2HB   SER  91          HB3       SER  91  25.999  -0.029  -1.799
  723    HG   SER  91           HG       SER  91  24.977   2.013  -1.539
  Start of MODEL    2
    1   1H    MET   1          H1        MET   1  -0.003  -0.836   0.364
    2   2H    MET   1          H2        MET   1  -0.707   0.461  -0.363
    3   3H    MET   1          H3        MET   1  -0.811  -1.029  -1.038
    4    HA   MET   1           HA       MET   1   0.785   0.289  -2.236
    5   1HB   MET   1          HB2       MET   1   2.265   0.370   0.433
    6   2HB   MET   1          HB3       MET   1   2.934   0.862  -1.125
    7   1HG   MET   1          HG2       MET   1   0.620   2.186   0.325
    8   2HG   MET   1          HG3       MET   1   2.253   2.803   0.118
    9   1HE   MET   1          HE1       MET   1   1.387   5.122  -0.743
   10   2HE   MET   1          HE2       MET   1   0.191   5.313  -2.043
   11   3HE   MET   1          HE3       MET   1  -0.285   4.563  -0.503
   12    H    LEU   2           H        LEU   2   2.848  -0.658  -3.069
   13    HA   LEU   2           HA       LEU   2   3.337  -3.473  -2.299
   14   1HB   LEU   2          HB2       LEU   2   1.551  -3.405  -4.029
   15   2HB   LEU   2          HB3       LEU   2   2.583  -2.440  -5.067
   16    HG   LEU   2           HG       LEU   2   4.127  -4.356  -5.349
   17   1HD1  LEU   2          HD11      LEU   2   3.492  -6.601  -4.512
   18   2HD1  LEU   2          HD12      LEU   2   3.824  -5.513  -3.168
   19   3HD1  LEU   2          HD13      LEU   2   2.144  -5.889  -3.602
   20   1HD2  LEU   2          HD21      LEU   2   2.277  -4.052  -6.904
   21   2HD2  LEU   2          HD22      LEU   2   2.617  -5.772  -6.664
   22   3HD2  LEU   2          HD23      LEU   2   1.211  -5.026  -5.870
   23    H    GLN   3           H        GLN   3   5.327  -4.228  -3.684
   24    HA   GLN   3           HA       GLN   3   7.326  -2.141  -4.191
   25   1HB   GLN   3          HB2       GLN   3   7.474  -2.481  -1.803
   26   2HB   GLN   3          HB3       GLN   3   7.255  -4.204  -1.988
   27   1HG   GLN   3          HG2       GLN   3   9.617  -4.219  -3.085
   28   2HG   GLN   3          HG3       GLN   3   9.763  -2.574  -2.456
   29   1HE2  GLN   3          HE22      GLN   3  11.372  -3.038  -0.652
   30   2HE2  GLN   3          HE21      GLN   3  10.836  -4.054   0.653
   31    H    TYR   4           H        TYR   4   9.005  -3.008  -5.564
   32    HA   TYR   4           HA       TYR   4   9.169  -5.883  -5.880
   33   1HB   TYR   4          HB2       TYR   4   9.181  -5.847  -8.370
   34   2HB   TYR   4          HB3       TYR   4   7.628  -5.640  -7.623
   35    HD1  TYR   4           HD1      TYR   4  10.235  -2.977  -8.490
   36    HD2  TYR   4           HD2      TYR   4   6.328  -4.681  -9.221
   37    HE1  TYR   4           HE1      TYR   4   9.757  -1.190 -10.105
   38    HE2  TYR   4           HE2      TYR   4   5.868  -2.911 -10.862
   39    HH   TYR   4           HH       TYR   4   6.648  -0.975 -11.887
   40    H    ARG   5           H        ARG   5  11.036  -6.516  -7.181
   41    HA   ARG   5           HA       ARG   5  13.137  -4.436  -7.480
   42   1HB   ARG   5          HB2       ARG   5  13.621  -6.062  -5.589
   43   2HB   ARG   5          HB3       ARG   5  13.577  -7.372  -6.777
   44   1HG   ARG   5          HG2       ARG   5  15.474  -6.172  -8.016
   45   2HG   ARG   5          HG3       ARG   5  15.560  -5.046  -6.653
   46   1HD   ARG   5          HD2       ARG   5  15.932  -8.071  -6.548
   47   2HD   ARG   5          HD3       ARG   5  17.221  -6.887  -6.482
   48    HE   ARG   5           HE       ARG   5  15.215  -7.514  -4.389
   49   1HH1  ARG   5          HH21      ARG   5  18.212  -5.713  -5.212
   50   2HH1  ARG   5          HH22      ARG   5  18.556  -5.354  -3.558
   51   1HH2  ARG   5          HH11      ARG   5  15.695  -6.966  -2.236
   52   2HH2  ARG   5          HH12      ARG   5  17.096  -6.047  -1.850
   53    H    ILE   6           H        ILE   6  14.072  -4.532  -9.553
   54    HA   ILE   6           HA       ILE   6  13.153  -6.652 -11.404
   55    HB   ILE   6           HB       ILE   6  12.974  -3.649 -11.910
   56   1HG1  ILE   6          HG12      ILE   6  10.892  -5.845 -11.739
   57   2HG1  ILE   6          HG13      ILE   6  11.098  -4.529 -10.586
   58   1HG2  ILE   6          HG21      ILE   6  13.787  -4.873 -13.932
   59   2HG2  ILE   6          HG22      ILE   6  12.378  -5.948 -13.830
   60   3HG2  ILE   6          HG23      ILE   6  12.186  -4.211 -14.166
   61   1HD1  ILE   6          HD11      ILE   6   9.178  -4.083 -11.897
   62   2HD1  ILE   6          HD12      ILE   6  10.430  -2.908 -12.366
   63   3HD1  ILE   6          HD13      ILE   6  10.046  -4.297 -13.420
   64    H    ILE   7           H        ILE   7  14.765  -7.229 -12.843
   65    HA   ILE   7           HA       ILE   7  17.343  -5.745 -12.782
   66    HB   ILE   7           HB       ILE   7  16.972  -8.723 -13.270
   67   1HG1  ILE   7          HG12      ILE   7  16.474  -8.394 -10.923
   68   2HG1  ILE   7          HG13      ILE   7  18.015  -9.199 -11.124
   69   1HG2  ILE   7          HG21      ILE   7  19.480  -7.035 -12.970
   70   2HG2  ILE   7          HG22      ILE   7  19.438  -8.817 -13.030
   71   3HG2  ILE   7          HG23      ILE   7  18.900  -7.876 -14.420
   72   1HD1  ILE   7          HD11      ILE   7  17.665  -6.246 -10.451
   73   2HD1  ILE   7          HD12      ILE   7  18.089  -7.534  -9.320
   74   3HD1  ILE   7          HD13      ILE   7  19.216  -7.098 -10.620
   75    H    VAL   8           H        VAL   8  18.172  -5.339 -14.873
   76    HA   VAL   8           HA       VAL   8  16.501  -6.132 -17.199
   77    HB   VAL   8           HB       VAL   8  17.448  -3.274 -16.724
   78   1HG1  VAL   8          HG11      VAL   8  16.982  -3.959 -19.073
   79   2HG1  VAL   8          HG12      VAL   8  15.352  -4.466 -18.582
   80   3HG1  VAL   8          HG13      VAL   8  15.816  -2.753 -18.510
   81   1HG2  VAL   8          HG21      VAL   8  15.089  -2.666 -16.249
   82   2HG2  VAL   8          HG22      VAL   8  14.669  -4.388 -16.150
   83   3HG2  VAL   8          HG23      VAL   8  15.786  -3.654 -14.969
   84    H    ASP   9           H        ASP   9  17.729  -6.495 -19.030
   85    HA   ASP   9           HA       ASP   9  20.640  -5.900 -18.978
   86   1HB   ASP   9          HB2       ASP   9  20.341  -8.150 -18.037
   87   2HB   ASP   9          HB3       ASP   9  19.337  -8.613 -19.414
   88    H    GLY  10           H        GLY  10  21.584  -6.012 -21.098
   89   1HA   GLY  10          HA2       GLY  10  20.982  -6.369 -23.580
   90   2HA   GLY  10          HA3       GLY  10  19.679  -5.220 -23.235
   91    H    ARG  11           H        ARG  11  20.691  -3.743 -24.757
   92    HA   ARG  11           HA       ARG  11  23.171  -2.388 -23.875
   93   1HB   ARG  11          HB2       ARG  11  22.758  -2.509 -26.290
   94   2HB   ARG  11          HB3       ARG  11  21.202  -1.712 -26.101
   95   1HG   ARG  11          HG2       ARG  11  23.015  -0.212 -26.940
   96   2HG   ARG  11          HG3       ARG  11  22.226   0.376 -25.487
   97   1HD   ARG  11          HD2       ARG  11  24.654   0.741 -25.404
   98   2HD   ARG  11          HD3       ARG  11  24.108  -0.314 -24.101
   99    HE   ARG  11           HE       ARG  11  25.071  -1.627 -26.560
  100   1HH1  ARG  11          HH21      ARG  11  25.977  -0.535 -23.276
  101   2HH1  ARG  11          HH22      ARG  11  27.355  -1.572 -23.192
  102   1HH2  ARG  11          HH11      ARG  11  26.891  -3.002 -26.401
  103   2HH2  ARG  11          HH12      ARG  11  27.884  -2.992 -24.996
  104    H    VAL  12           H        VAL  12  22.295  -2.192 -21.713
  105    HA   VAL  12           HA       VAL  12  20.450   0.137 -21.417
  106    HB   VAL  12           HB       VAL  12  19.524  -0.966 -19.422
  107   1HG1  VAL  12          HG11      VAL  12  19.228  -2.700 -21.906
  108   2HG1  VAL  12          HG12      VAL  12  18.080  -2.530 -20.566
  109   3HG1  VAL  12          HG13      VAL  12  18.398  -1.153 -21.627
  110   1HG2  VAL  12          HG21      VAL  12  20.982  -3.493 -20.290
  111   2HG2  VAL  12          HG22      VAL  12  21.422  -2.505 -18.889
  112   3HG2  VAL  12          HG23      VAL  12  19.849  -3.310 -18.941
  113    H    GLN  13           H        GLN  13  23.593  -0.676 -21.122
  114    HA   GLN  13           HA       GLN  13  23.974   1.551 -19.279
  115   1HB   GLN  13          HB2       GLN  13  25.620  -1.016 -19.027
  116   2HB   GLN  13          HB3       GLN  13  25.942   0.528 -18.227
  117   1HG   GLN  13          HG2       GLN  13  23.476   0.252 -17.311
  118   2HG   GLN  13          HG3       GLN  13  23.735  -1.457 -17.687
  119   1HE2  GLN  13          HE22      GLN  13  25.319  -2.650 -16.341
  120   2HE2  GLN  13          HE21      GLN  13  25.947  -1.924 -14.882
  121    H    GLY  14           H        GLY  14  26.246   2.458 -19.700
  122   1HA   GLY  14          HA2       GLY  14  27.576   3.462 -21.303
  123   2HA   GLY  14          HA3       GLY  14  27.229   2.143 -22.437
  124    H    VAL  15           H        VAL  15  24.437   3.520 -20.944
  125    HA   VAL  15           HA       VAL  15  23.818   5.533 -22.946
  126    HB   VAL  15           HB       VAL  15  21.581   4.419 -23.370
  127   1HG1  VAL  15          HG11      VAL  15  22.347   2.986 -25.179
  128   2HG1  VAL  15          HG12      VAL  15  23.377   4.422 -25.077
  129   3HG1  VAL  15          HG13      VAL  15  23.961   2.862 -24.460
  130   1HG2  VAL  15          HG21      VAL  15  22.931   1.850 -22.422
  131   2HG2  VAL  15          HG22      VAL  15  21.639   2.706 -21.544
  132   3HG2  VAL  15          HG23      VAL  15  21.323   2.015 -23.138
  133    H    GLY  16           H        GLY  16  21.821   6.716 -22.152
  134   1HA   GLY  16          HA2       GLY  16  22.223   7.274 -19.379
  135   2HA   GLY  16          HA3       GLY  16  21.090   8.071 -20.474
  136    H    PHE  17           H        PHE  17  20.818   4.580 -19.991
  137    HA   PHE  17           HA       PHE  17  18.071   4.802 -19.485
  138   1HB   PHE  17          HB2       PHE  17  19.290   2.797 -20.412
  139   2HB   PHE  17          HB3       PHE  17  19.879   2.469 -18.789
  140    HD1  PHE  17           HD2      PHE  17  16.498   3.433 -20.180
  141    HD2  PHE  17           HD1      PHE  17  18.786   0.593 -17.884
  142    HE1  PHE  17           HE2      PHE  17  14.434   2.205 -19.654
  143    HE2  PHE  17           HE1      PHE  17  16.724  -0.716 -17.457
  144    HZ   PHE  17           HZ       PHE  17  14.542   0.059 -18.364
  145    H    ARG  18           H        ARG  18  20.768   4.573 -17.164
  146    HA   ARG  18           HA       ARG  18  19.362   4.039 -14.790
  147   1HB   ARG  18          HB2       ARG  18  21.892   4.302 -15.129
  148   2HB   ARG  18          HB3       ARG  18  21.641   6.041 -15.168
  149   1HG   ARG  18          HG2       ARG  18  22.219   5.817 -12.983
  150   2HG   ARG  18          HG3       ARG  18  20.482   5.642 -12.814
  151   1HD   ARG  18          HD2       ARG  18  21.022   3.803 -11.615
  152   2HD   ARG  18          HD3       ARG  18  21.174   3.007 -13.176
  153    HE   ARG  18           HE       ARG  18  23.306   3.941 -11.329
  154   1HH1  ARG  18          HH21      ARG  18  22.589   2.242 -14.380
  155   2HH1  ARG  18          HH22      ARG  18  24.212   1.678 -14.587
  156   1HH2  ARG  18          HH11      ARG  18  25.457   3.415 -11.745
  157   2HH2  ARG  18          HH12      ARG  18  25.889   2.484 -13.140
  158    H    TYR  19           H        TYR  19  19.840   7.191 -16.462
  159    HA   TYR  19           HA       TYR  19  18.357   8.677 -14.479
  160   1HB   TYR  19          HB2       TYR  19  19.062   9.448 -17.340
  161   2HB   TYR  19          HB3       TYR  19  18.564  10.531 -16.049
  162    HD1  TYR  19           HD1      TYR  19  20.060  10.533 -13.866
  163    HD2  TYR  19           HD2      TYR  19  21.372   9.075 -17.710
  164    HE1  TYR  19           HE1      TYR  19  22.418  10.755 -13.141
  165    HE2  TYR  19           HE2      TYR  19  23.730   9.291 -16.997
  166    HH   TYR  19           HH       TYR  19  25.183   9.903 -15.280
  167    H    PHE  20           H        PHE  20  17.581   7.225 -17.703
  168    HA   PHE  20           HA       PHE  20  14.996   8.293 -17.991
  169   1HB   PHE  20          HB2       PHE  20  16.206   6.951 -19.724
  170   2HB   PHE  20          HB3       PHE  20  15.894   5.484 -18.793
  171    HD1  PHE  20           HD1      PHE  20  14.213   8.252 -20.672
  172    HD2  PHE  20           HD2      PHE  20  13.811   4.336 -18.902
  173    HE1  PHE  20           HE1      PHE  20  12.033   7.949 -21.820
  174    HE2  PHE  20           HE2      PHE  20  11.653   4.025 -20.086
  175    HZ   PHE  20           HZ       PHE  20  10.753   5.833 -21.534
  176    H    VAL  21           H        VAL  21  15.970   5.217 -16.384
  177    HA   VAL  21           HA       VAL  21  13.398   4.439 -15.529
  178    HB   VAL  21           HB       VAL  21  16.188   3.933 -14.430
  179   1HG1  VAL  21          HG11      VAL  21  13.641   2.413 -13.745
  180   2HG1  VAL  21          HG12      VAL  21  15.285   2.009 -13.233
  181   3HG1  VAL  21          HG13      VAL  21  14.537   3.476 -12.621
  182   1HG2  VAL  21          HG21      VAL  21  14.327   2.182 -16.108
  183   2HG2  VAL  21          HG22      VAL  21  15.740   3.042 -16.723
  184   3HG2  VAL  21          HG23      VAL  21  15.957   1.747 -15.548
  185    H    GLN  22           H        GLN  22  15.884   6.465 -13.786
  186    HA   GLN  22           HA       GLN  22  14.308   6.821 -11.470
  187   1HB   GLN  22          HB2       GLN  22  16.612   7.387 -11.412
  188   2HB   GLN  22          HB3       GLN  22  16.484   8.535 -12.740
  189   1HG   GLN  22          HG2       GLN  22  15.509  10.195 -11.464
  190   2HG   GLN  22          HG3       GLN  22  14.744   9.057 -10.341
  191   1HE2  GLN  22          HE22      GLN  22  16.673   7.561  -9.277
  192   2HE2  GLN  22          HE21      GLN  22  17.694   8.620  -8.325
  193    H    MET  23           H        MET  23  14.400   8.797 -14.494
  194    HA   MET  23           HA       MET  23  12.624  10.776 -13.409
  195   1HB   MET  23          HB2       MET  23  13.512  10.140 -16.247
  196   2HB   MET  23          HB3       MET  23  12.531  11.551 -15.805
  197   1HG   MET  23          HG2       MET  23  14.256  12.381 -14.309
  198   2HG   MET  23          HG3       MET  23  15.232  10.939 -14.518
  199   1HE   MET  23          HE1       MET  23  17.465  13.653 -16.181
  200   2HE   MET  23          HE2       MET  23  16.410  13.863 -14.766
  201   3HE   MET  23          HE3       MET  23  17.351  12.366 -14.959
  202    H    GLU  24           H        GLU  24  12.058   7.790 -15.318
  203    HA   GLU  24           HA       GLU  24   9.243   8.274 -15.659
  204   1HB   GLU  24          HB2       GLU  24  10.934   5.745 -15.716
  205   2HB   GLU  24          HB3       GLU  24   9.196   5.747 -16.017
  206   1HG   GLU  24          HG2       GLU  24  11.222   7.342 -17.655
  207   2HG   GLU  24          HG3       GLU  24  10.550   5.780 -18.101
  208    H    ALA  25           H        ALA  25  11.164   6.717 -13.031
  209    HA   ALA  25           HA       ALA  25   8.869   5.892 -11.523
  210   1HB   ALA  25          HB1       ALA  25  11.620   6.722 -10.489
  211   2HB   ALA  25          HB2       ALA  25  10.398   5.757  -9.648
  212   3HB   ALA  25          HB3       ALA  25  11.204   5.106 -11.083
  213    H    ASP  26           H        ASP  26  10.810   8.910 -11.564
  214    HA   ASP  26           HA       ASP  26   9.471  10.201  -9.425
  215   1HB   ASP  26          HB2       ASP  26  11.628  10.984 -10.162
  216   2HB   ASP  26          HB3       ASP  26  11.011  11.328 -11.783
  217    H    LYS  27           H        LYS  27   8.779  10.388 -13.017
  218    HA   LYS  27           HA       LYS  27   6.636  12.213 -12.525
  219   1HB   LYS  27          HB2       LYS  27   6.023  12.032 -14.795
  220   2HB   LYS  27          HB3       LYS  27   7.769  12.032 -14.674
  221   1HG   LYS  27          HG2       LYS  27   7.522  10.429 -16.249
  222   2HG   LYS  27          HG3       LYS  27   7.507   9.407 -14.815
  223   1HD   LYS  27          HD2       LYS  27   5.005   9.376 -14.894
  224   2HD   LYS  27          HD3       LYS  27   5.040  10.391 -16.335
  225   1HE   LYS  27          HE2       LYS  27   6.350   7.641 -16.109
  226   2HE   LYS  27          HE3       LYS  27   4.729   7.914 -16.761
  227   1HZ   LYS  27          HZ1       LYS  27   5.698   9.214 -18.545
  228   2HZ   LYS  27          HZ2       LYS  27   7.224   9.038 -17.911
  229   3HZ   LYS  27          HZ3       LYS  27   6.473   7.754 -18.467
  230    H    ARG  28           H        ARG  28   6.787   8.717 -12.219
  231    HA   ARG  28           HA       ARG  28   3.867   8.531 -11.769
  232   1HB   ARG  28          HB2       ARG  28   6.153   6.525 -11.460
  233   2HB   ARG  28          HB3       ARG  28   4.479   6.159 -11.084
  234   1HG   ARG  28          HG2       ARG  28   5.668   6.722 -13.805
  235   2HG   ARG  28          HG3       ARG  28   4.952   5.232 -13.212
  236   1HD   ARG  28          HD2       ARG  28   3.530   7.816 -13.948
  237   2HD   ARG  28          HD3       ARG  28   3.456   6.254 -14.770
  238    HE   ARG  28           HE       ARG  28   2.544   6.259 -11.979
  239   1HH1  ARG  28          HH11      ARG  28   1.540   6.641 -15.368
  240   2HH1  ARG  28          HH12      ARG  28  -0.130   6.375 -15.051
  241   1HH2  ARG  28          HH21      ARG  28   0.270   6.034 -11.546
  242   2HH2  ARG  28          HH22      ARG  28  -0.851   6.015 -12.847
  243    H    LYS  29           H        LYS  29   6.338   9.861  -9.985
  244    HA   LYS  29           HA       LYS  29   6.959  10.031  -7.869
  245   1HB   LYS  29          HB2       LYS  29   3.954  10.309  -7.515
  246   2HB   LYS  29          HB3       LYS  29   5.137  10.778  -6.295
  247   1HG   LYS  29          HG2       LYS  29   5.045  11.955  -9.103
  248   2HG   LYS  29          HG3       LYS  29   4.287  12.679  -7.689
  249   1HD   LYS  29          HD2       LYS  29   6.402  13.061  -6.600
  250   2HD   LYS  29          HD3       LYS  29   7.279  12.097  -7.796
  251   1HE   LYS  29          HE2       LYS  29   6.560  13.691  -9.580
  252   2HE   LYS  29          HE3       LYS  29   5.859  14.730  -8.325
  253   1HZ   LYS  29          HZ1       LYS  29   8.100  14.902  -7.364
  254   2HZ   LYS  29          HZ2       LYS  29   8.721  13.949  -8.555
  255   3HZ   LYS  29          HZ3       LYS  29   8.097  15.421  -8.910
  256    H    LEU  30           H        LEU  30   7.188   7.495  -8.562
  257    HA   LEU  30           HA       LEU  30   6.446   5.805  -6.242
  258   1HB   LEU  30          HB2       LEU  30   8.369   5.419  -8.575
  259   2HB   LEU  30          HB3       LEU  30   8.067   4.217  -7.324
  260    HG   LEU  30           HG       LEU  30   5.958   5.282  -9.260
  261   1HD1  LEU  30          HD11      LEU  30   7.644   3.957 -10.399
  262   2HD1  LEU  30          HD12      LEU  30   7.494   2.663  -9.193
  263   3HD1  LEU  30          HD13      LEU  30   6.132   3.039 -10.278
  264   1HD2  LEU  30          HD21      LEU  30   4.875   4.549  -7.210
  265   2HD2  LEU  30          HD22      LEU  30   4.624   3.321  -8.452
  266   3HD2  LEU  30          HD23      LEU  30   5.841   3.050  -7.191
  267    H    ALA  31           H        ALA  31   8.399   4.821  -5.051
  268    HA   ALA  31           HA       ALA  31  10.673   6.721  -4.759
  269   1HB   ALA  31          HB1       ALA  31   9.187   5.399  -2.446
  270   2HB   ALA  31          HB2       ALA  31  10.597   6.475  -2.350
  271   3HB   ALA  31          HB3       ALA  31   9.044   7.118  -2.900
  272    H    GLY  32           H        GLY  32  12.673   5.606  -4.247
  273   1HA   GLY  32          HA2       GLY  32  13.073   2.857  -3.790
  274   2HA   GLY  32          HA3       GLY  32  12.668   3.033  -5.500
  275    H    TRP  33           H        TRP  33  14.766   2.170  -5.995
  276    HA   TRP  33           HA       TRP  33  16.613   4.367  -6.416
  277   1HB   TRP  33          HB2       TRP  33  18.615   3.179  -5.773
  278   2HB   TRP  33          HB3       TRP  33  17.562   3.382  -4.395
  279    HD1  TRP  33           HD1      TRP  33  18.059   0.469  -6.987
  280    HE1  TRP  33           HE1      TRP  33  18.302  -1.710  -5.704
  281    HE3  TRP  33           HE3      TRP  33  17.635   2.270  -2.193
  282    HZ2  TRP  33           HZ2      TRP  33  18.538  -2.563  -2.984
  283    HZ3  TRP  33           HZ3      TRP  33  17.917   0.732  -0.270
  284    HH2  TRP  33           HH2      TRP  33  18.377  -1.684  -0.644
  285    H    VAL  34           H        VAL  34  18.279   3.813  -8.055
  286    HA   VAL  34           HA       VAL  34  17.771   1.352  -9.601
  287    HB   VAL  34           HB       VAL  34  16.533   3.081 -10.782
  288   1HG1  VAL  34          HG11      VAL  34  17.552   5.047 -11.790
  289   2HG1  VAL  34          HG12      VAL  34  17.591   5.128 -10.029
  290   3HG1  VAL  34          HG13      VAL  34  19.069   4.736 -10.925
  291   1HG2  VAL  34          HG21      VAL  34  19.132   2.445 -12.242
  292   2HG2  VAL  34          HG22      VAL  34  17.750   1.357 -12.078
  293   3HG2  VAL  34          HG23      VAL  34  17.588   2.875 -12.980
  294    H    LYS  35           H        LYS  35  19.729   0.371 -10.180
  295    HA   LYS  35           HA       LYS  35  22.180   1.963 -10.006
  296   1HB   LYS  35          HB2       LYS  35  23.241   0.498  -8.376
  297   2HB   LYS  35          HB3       LYS  35  21.826   1.312  -7.717
  298   1HG   LYS  35          HG2       LYS  35  20.538  -0.872  -8.022
  299   2HG   LYS  35          HG3       LYS  35  22.093  -1.632  -8.436
  300   1HD   LYS  35          HD2       LYS  35  23.012  -0.726  -6.232
  301   2HD   LYS  35          HD3       LYS  35  21.392  -0.140  -5.865
  302   1HE   LYS  35          HE2       LYS  35  21.722  -2.113  -4.628
  303   2HE   LYS  35          HE3       LYS  35  20.548  -2.498  -5.887
  304   1HZ   LYS  35          HZ1       LYS  35  23.414  -3.093  -6.299
  305   2HZ   LYS  35          HZ2       LYS  35  22.465  -4.104  -5.420
  306   3HZ   LYS  35          HZ3       LYS  35  22.085  -3.834  -6.966
  307    H    ASN  36           H        ASN  36  24.079   0.887 -10.682
  308    HA   ASN  36           HA       ASN  36  23.889  -1.284 -12.665
  309   1HB   ASN  36          HB2       ASN  36  25.792   0.182 -12.886
  310   2HB   ASN  36          HB3       ASN  36  26.137   0.133 -11.160
  311   1HD2  ASN  36          HD22      ASN  36  27.560  -1.424 -10.360
  312   2HD2  ASN  36          HD21      ASN  36  28.193  -2.721 -11.361
  313    H    ARG  37           H        ARG  37  23.859  -3.445 -12.071
  314    HA   ARG  37           HA       ARG  37  24.168  -4.195  -9.199
  315   1HB   ARG  37          HB2       ARG  37  22.254  -5.165 -10.335
  316   2HB   ARG  37          HB3       ARG  37  23.236  -5.698 -11.697
  317   1HG   ARG  37          HG2       ARG  37  24.300  -7.390 -10.438
  318   2HG   ARG  37          HG3       ARG  37  23.774  -6.727  -8.886
  319   1HD   ARG  37          HD2       ARG  37  21.713  -7.693 -10.895
  320   2HD   ARG  37          HD3       ARG  37  22.626  -8.843  -9.907
  321    HE   ARG  37           HE       ARG  37  21.324  -6.589  -8.491
  322   1HH1  ARG  37          HH21      ARG  37  21.243 -10.072  -9.259
  323   2HH1  ARG  37          HH22      ARG  37  20.203 -10.471  -7.945
  324   1HH2  ARG  37          HH11      ARG  37  19.853  -7.099  -6.843
  325   2HH2  ARG  37          HH12      ARG  37  19.452  -8.757  -6.497
  326    H    ASP  38           H        ASP  38  25.944  -5.599  -8.625
  327    HA   ASP  38           HA       ASP  38  28.400  -5.003  -9.743
  328   1HB   ASP  38          HB2       ASP  38  28.120  -5.898  -7.502
  329   2HB   ASP  38          HB3       ASP  38  27.564  -7.446  -8.146
  330    H    ASP  39           H        ASP  39  26.275  -7.702 -10.662
  331    HA   ASP  39           HA       ASP  39  28.092  -9.157 -12.298
  332   1HB   ASP  39          HB2       ASP  39  25.943 -10.035 -11.479
  333   2HB   ASP  39          HB3       ASP  39  25.068  -8.861 -12.465
  334    H    GLY  40           H        GLY  40  26.574  -6.078 -12.875
  335   1HA   GLY  40          HA2       GLY  40  27.322  -4.681 -14.614
  336   2HA   GLY  40          HA3       GLY  40  27.473  -6.058 -15.710
  337    H    ARG  41           H        ARG  41  24.551  -6.437 -14.028
  338    HA   ARG  41           HA       ARG  41  22.983  -5.486 -16.343
  339   1HB   ARG  41          HB2       ARG  41  21.996  -6.726 -13.735
  340   2HB   ARG  41          HB3       ARG  41  21.080  -6.476 -15.203
  341   1HG   ARG  41          HG2       ARG  41  23.042  -8.630 -14.558
  342   2HG   ARG  41          HG3       ARG  41  21.437  -8.713 -15.257
  343   1HD   ARG  41          HD2       ARG  41  22.552  -9.211 -17.155
  344   2HD   ARG  41          HD3       ARG  41  22.698  -7.456 -17.304
  345    HE   ARG  41           HE       ARG  41  24.786  -8.997 -15.841
  346   1HH1  ARG  41          HH21      ARG  41  23.948  -7.592 -19.024
  347   2HH1  ARG  41          HH22      ARG  41  25.601  -7.322 -19.460
  348   1HH2  ARG  41          HH11      ARG  41  26.945  -8.520 -16.394
  349   2HH2  ARG  41          HH12      ARG  41  27.333  -7.987 -17.995
  350    H    VAL  42           H        VAL  42  20.814  -4.351 -15.539
  351    HA   VAL  42           HA       VAL  42  21.537  -2.177 -13.615
  352    HB   VAL  42           HB       VAL  42  19.376  -2.205 -15.765
  353   1HG1  VAL  42          HG11      VAL  42  19.022   0.185 -15.081
  354   2HG1  VAL  42          HG12      VAL  42  18.564  -0.948 -13.812
  355   3HG1  VAL  42          HG13      VAL  42  20.105  -0.072 -13.692
  356   1HG2  VAL  42          HG21      VAL  42  21.932  -0.564 -15.444
  357   2HG2  VAL  42          HG22      VAL  42  21.633  -1.814 -16.672
  358   3HG2  VAL  42          HG23      VAL  42  20.703  -0.315 -16.706
  359    H    GLU  43           H        GLU  43  20.131  -1.917 -11.879
  360    HA   GLU  43           HA       GLU  43  18.088  -4.004 -11.374
  361   1HB   GLU  43          HB2       GLU  43  19.980  -4.820 -10.248
  362   2HB   GLU  43          HB3       GLU  43  20.521  -3.210  -9.745
  363   1HG   GLU  43          HG2       GLU  43  18.771  -3.031  -8.096
  364   2HG   GLU  43          HG3       GLU  43  17.959  -4.481  -8.716
  365    H    ILE  44           H        ILE  44  16.282  -3.134 -10.535
  366    HA   ILE  44           HA       ILE  44  16.245  -0.304  -9.627
  367    HB   ILE  44           HB       ILE  44  14.084  -1.812 -11.136
  368   1HG1  ILE  44          HG12      ILE  44  15.968   0.099 -12.561
  369   2HG1  ILE  44          HG13      ILE  44  16.237  -1.629 -12.589
  370   1HG2  ILE  44          HG21      ILE  44  13.204   0.456 -11.610
  371   2HG2  ILE  44          HG22      ILE  44  13.381   0.197  -9.882
  372   3HG2  ILE  44          HG23      ILE  44  14.582   1.174 -10.749
  373   1HD1  ILE  44          HD11      ILE  44  14.123  -2.105 -13.525
  374   2HD1  ILE  44          HD12      ILE  44  13.703  -0.368 -13.603
  375   3HD1  ILE  44          HD13      ILE  44  15.059  -0.997 -14.557
  376    H    LEU  45           H        LEU  45  14.909  -0.011  -7.789
  377    HA   LEU  45           HA       LEU  45  13.287  -2.306  -6.849
  378   1HB   LEU  45          HB2       LEU  45  15.683  -2.310  -5.842
  379   2HB   LEU  45          HB3       LEU  45  15.183  -0.875  -4.949
  380    HG   LEU  45           HG       LEU  45  13.887  -3.642  -4.849
  381   1HD1  LEU  45          HD11      LEU  45  14.912  -3.801  -2.632
  382   2HD1  LEU  45          HD12      LEU  45  16.157  -3.479  -3.853
  383   3HD1  LEU  45          HD13      LEU  45  15.590  -2.166  -2.803
  384   1HD2  LEU  45          HD21      LEU  45  12.726  -2.773  -2.792
  385   2HD2  LEU  45          HD22      LEU  45  13.235  -1.129  -3.247
  386   3HD2  LEU  45          HD23      LEU  45  12.134  -2.077  -4.281
  387    H    ALA  46           H        ALA  46  11.284  -1.420  -6.338
  388    HA   ALA  46           HA       ALA  46  11.151   1.423  -5.565
  389   1HB   ALA  46          HB1       ALA  46   9.711   0.299  -8.011
  390   2HB   ALA  46          HB2       ALA  46   9.530   1.935  -7.346
  391   3HB   ALA  46          HB3       ALA  46  11.081   1.437  -8.049
  392    H    GLU  47           H        GLU  47   9.146   2.024  -4.716
  393    HA   GLU  47           HA       GLU  47   7.093  -0.045  -4.275
  394   1HB   GLU  47          HB2       GLU  47   6.860   0.711  -1.930
  395   2HB   GLU  47          HB3       GLU  47   8.418  -0.065  -2.238
  396   1HG   GLU  47          HG2       GLU  47   9.556   2.094  -2.295
  397   2HG   GLU  47          HG3       GLU  47   8.017   2.962  -2.229
  398    H    GLY  48           H        GLY  48   5.000   0.828  -3.836
  399   1HA   GLY  48          HA2       GLY  48   4.098   3.399  -3.606
  400   2HA   GLY  48          HA3       GLY  48   4.443   3.255  -5.334
  401    HA   PRO  49           HA       PRO  49   0.253   1.364  -4.623
  402   1HB   PRO  49          HB2       PRO  49  -1.174   2.827  -6.461
  403   2HB   PRO  49          HB3       PRO  49  -0.917   3.333  -4.763
  404   1HG   PRO  49          HG2       PRO  49   0.562   4.236  -7.226
  405   2HG   PRO  49          HG3       PRO  49  -0.016   5.224  -5.855
  406   1HD   PRO  49          HD2       PRO  49   2.590   4.349  -6.108
  407   2HD   PRO  49          HD3       PRO  49   1.807   4.612  -4.521
  408    H    GLU  50           H        GLU  50  -0.683  -0.183  -5.987
  409    HA   GLU  50           HA       GLU  50   1.151  -1.550  -7.549
  410   1HB   GLU  50          HB2       GLU  50  -0.734  -2.567  -6.369
  411   2HB   GLU  50          HB3       GLU  50  -1.883  -1.797  -7.472
  412   1HG   GLU  50          HG2       GLU  50  -0.918  -3.110  -9.364
  413   2HG   GLU  50          HG3       GLU  50   0.221  -3.865  -8.250
  414    H    ASN  51           H        ASN  51  -1.531   0.559  -8.725
  415    HA   ASN  51           HA       ASN  51  -1.159  -0.135 -11.481
  416   1HB   ASN  51          HB2       ASN  51  -3.248   0.857 -10.632
  417   2HB   ASN  51          HB3       ASN  51  -2.399   2.354 -10.234
  418   1HD2  ASN  51          HD22      ASN  51  -2.802   3.941 -11.774
  419   2HD2  ASN  51          HD21      ASN  51  -2.979   3.643 -13.483
  420    H    ALA  52           H        ALA  52   0.282   2.439  -9.459
  421    HA   ALA  52           HA       ALA  52   1.583   3.799 -11.664
  422   1HB   ALA  52          HB1       ALA  52   2.941   4.851  -9.869
  423   2HB   ALA  52          HB2       ALA  52   1.212   4.914  -9.474
  424   3HB   ALA  52          HB3       ALA  52   2.272   3.720  -8.688
  425    H    LEU  53           H        LEU  53   2.496   1.191  -9.366
  426    HA   LEU  53           HA       LEU  53   5.141   0.822 -10.362
  427   1HB   LEU  53          HB2       LEU  53   3.155  -0.933  -8.894
  428   2HB   LEU  53          HB3       LEU  53   4.699  -1.572  -9.400
  429    HG   LEU  53           HG       LEU  53   4.474   0.933  -7.694
  430   1HD1  LEU  53          HD11      LEU  53   4.770  -1.967  -6.809
  431   2HD1  LEU  53          HD12      LEU  53   4.963  -0.538  -5.769
  432   3HD1  LEU  53          HD13      LEU  53   3.394  -0.873  -6.502
  433   1HD2  LEU  53          HD21      LEU  53   6.787  -1.035  -8.000
  434   2HD2  LEU  53          HD22      LEU  53   6.689   0.512  -8.854
  435   3HD2  LEU  53          HD23      LEU  53   6.787   0.487  -7.090
  436    H    GLN  54           H        GLN  54   1.997  -0.655 -11.438
  437    HA   GLN  54           HA       GLN  54   3.212  -2.365 -13.378
  438   1HB   GLN  54          HB2       GLN  54   0.463  -1.036 -13.530
  439   2HB   GLN  54          HB3       GLN  54   1.041  -2.344 -14.536
  440   1HG   GLN  54          HG2       GLN  54  -0.009  -2.416 -11.762
  441   2HG   GLN  54          HG3       GLN  54  -0.231  -3.536 -13.073
  442   1HE2  GLN  54          HE22      GLN  54   1.636  -2.777 -10.246
  443   2HE2  GLN  54          HE21      GLN  54   2.650  -4.216 -10.254
  444    H    SER  55           H        SER  55   1.931   0.957 -13.667
  445    HA   SER  55           HA       SER  55   2.532   1.403 -16.386
  446   1HB   SER  55          HB2       SER  55   2.657   3.433 -14.111
  447   2HB   SER  55          HB3       SER  55   2.395   3.767 -15.828
  448    HG   SER  55           HG       SER  55   0.667   2.406 -14.010
  449    H    PHE  56           H        PHE  56   4.634   1.704 -13.478
  450    HA   PHE  56           HA       PHE  56   6.853   2.695 -14.961
  451   1HB   PHE  56          HB2       PHE  56   6.559   3.104 -12.609
  452   2HB   PHE  56          HB3       PHE  56   6.664   1.393 -12.240
  453    HD1  PHE  56           HD2      PHE  56   8.848   3.559 -14.464
  454    HD2  PHE  56           HD1      PHE  56   8.555   1.224 -10.846
  455    HE1  PHE  56           HE2      PHE  56  11.261   3.868 -14.053
  456    HE2  PHE  56           HE1      PHE  56  10.968   1.553 -10.438
  457    HZ   PHE  56           HZ       PHE  56  12.316   2.904 -12.011
  458    H    VAL  57           H        VAL  57   5.799  -0.732 -14.219
  459    HA   VAL  57           HA       VAL  57   8.202  -1.829 -15.356
  460    HB   VAL  57           HB       VAL  57   5.495  -3.175 -15.590
  461   1HG1  VAL  57          HG11      VAL  57   6.853  -5.233 -15.536
  462   2HG1  VAL  57          HG12      VAL  57   7.450  -4.179 -16.820
  463   3HG1  VAL  57          HG13      VAL  57   8.333  -4.278 -15.295
  464   1HG2  VAL  57          HG21      VAL  57   7.364  -3.139 -13.194
  465   2HG2  VAL  57          HG22      VAL  57   5.632  -2.727 -13.247
  466   3HG2  VAL  57          HG23      VAL  57   6.130  -4.392 -13.454
  467    H    GLU  58           H        GLU  58   5.075  -0.750 -16.839
  468    HA   GLU  58           HA       GLU  58   5.689  -1.563 -19.479
  469   1HB   GLU  58          HB2       GLU  58   4.028   0.790 -18.508
  470   2HB   GLU  58          HB3       GLU  58   4.123   0.284 -20.183
  471   1HG   GLU  58          HG2       GLU  58   3.143  -1.500 -17.917
  472   2HG   GLU  58          HG3       GLU  58   2.103  -0.525 -18.945
  473    H    ALA  59           H        ALA  59   6.554   1.461 -17.728
  474    HA   ALA  59           HA       ALA  59   7.913   2.677 -19.898
  475   1HB   ALA  59          HB1       ALA  59   7.239   3.891 -17.856
  476   2HB   ALA  59          HB2       ALA  59   8.436   2.975 -16.908
  477   3HB   ALA  59          HB3       ALA  59   8.972   4.069 -18.190
  478    H    VAL  60           H        VAL  60   9.172   0.583 -17.225
  479    HA   VAL  60           HA       VAL  60  11.885   0.757 -18.006
  480    HB   VAL  60           HB       VAL  60  10.302  -1.214 -16.321
  481   1HG1  VAL  60          HG11      VAL  60  12.280  -2.455 -17.125
  482   2HG1  VAL  60          HG12      VAL  60  13.332  -1.118 -16.619
  483   3HG1  VAL  60          HG13      VAL  60  12.427  -2.063 -15.414
  484   1HG2  VAL  60          HG21      VAL  60  11.344  -0.058 -14.448
  485   2HG2  VAL  60          HG22      VAL  60  12.385   0.883 -15.537
  486   3HG2  VAL  60          HG23      VAL  60  10.647   1.175 -15.499
  487    H    LYS  61           H        LYS  61   9.386  -1.736 -18.847
  488    HA   LYS  61           HA       LYS  61  11.270  -3.349 -20.262
  489   1HB   LYS  61          HB2       LYS  61   9.476  -4.707 -20.919
  490   2HB   LYS  61          HB3       LYS  61   9.097  -4.127 -19.295
  491   1HG   LYS  61          HG2       LYS  61   7.581  -2.407 -20.317
  492   2HG   LYS  61          HG3       LYS  61   7.952  -3.040 -21.917
  493   1HD   LYS  61          HD2       LYS  61   5.826  -3.883 -21.181
  494   2HD   LYS  61          HD3       LYS  61   6.984  -5.218 -21.319
  495   1HE   LYS  61          HE2       LYS  61   7.235  -5.373 -18.934
  496   2HE   LYS  61          HE3       LYS  61   6.404  -3.826 -18.682
  497   1HZ   LYS  61          HZ1       LYS  61   4.975  -5.754 -18.222
  498   2HZ   LYS  61          HZ2       LYS  61   4.372  -4.784 -19.397
  499   3HZ   LYS  61          HZ3       LYS  61   5.072  -6.229 -19.782
  500    H    ASN  62           H        ASN  62   9.781  -0.367 -21.242
  501    HA   ASN  62           HA       ASN  62   9.993  -0.813 -24.104
  502   1HB   ASN  62          HB2       ASN  62   8.618   1.021 -23.055
  503   2HB   ASN  62          HB3       ASN  62  10.114   1.817 -22.554
  504   1HD2  ASN  62          HD22      ASN  62  11.300   3.009 -24.056
  505   2HD2  ASN  62          HD21      ASN  62  10.758   3.264 -25.710
  506    H    GLY  63           H        GLY  63  12.267  -0.067 -21.512
  507   1HA   GLY  63          HA2       GLY  63  14.493   0.560 -21.510
  508   2HA   GLY  63          HA3       GLY  63  14.568   0.425 -23.275
  509    H    SER  64           H        SER  64  15.718   2.736 -22.392
  510    HA   SER  64           HA       SER  64  13.727   4.878 -22.617
  511   1HB   SER  64          HB2       SER  64  15.569   6.381 -22.819
  512   2HB   SER  64          HB3       SER  64  15.903   5.272 -21.485
  513    HG   SER  64           HG       SER  64  17.700   5.620 -22.852
  514    HA   PRO  65           HA       PRO  65  13.668   4.943 -27.197
  515   1HB   PRO  65          HB2       PRO  65  14.354   7.847 -26.684
  516   2HB   PRO  65          HB3       PRO  65  13.216   7.162 -27.886
  517   1HG   PRO  65          HG2       PRO  65  12.275   8.181 -25.562
  518   2HG   PRO  65          HG3       PRO  65  11.624   6.628 -26.182
  519   1HD   PRO  65          HD2       PRO  65  13.649   7.077 -23.991
  520   2HD   PRO  65          HD3       PRO  65  12.313   5.879 -24.082
  521    H    PHE  66           H        PHE  66  16.451   5.293 -25.273
  522    HA   PHE  66           HA       PHE  66  18.257   5.482 -27.621
  523   1HB   PHE  66          HB2       PHE  66  18.800   6.552 -24.831
  524   2HB   PHE  66          HB3       PHE  66  19.802   6.745 -26.260
  525    HD1  PHE  66           HD1      PHE  66  18.930   8.162 -28.215
  526    HD2  PHE  66           HD2      PHE  66  17.023   8.097 -24.343
  527    HE1  PHE  66           HE1      PHE  66  17.737  10.271 -28.761
  528    HE2  PHE  66           HE2      PHE  66  15.832  10.202 -24.896
  529    HZ   PHE  66           HZ       PHE  66  16.185  11.293 -27.105
  530    H    SER  67           H        SER  67  16.988   3.247 -25.648
  531    HA   SER  67           HA       SER  67  19.554   1.767 -25.235
  532   1HB   SER  67          HB2       SER  67  17.143   1.810 -23.381
  533   2HB   SER  67          HB3       SER  67  18.654   0.931 -23.130
  534    HG   SER  67           HG       SER  67  18.165   3.709 -23.079
  535    H    LYS  68           H        LYS  68  19.046  -0.631 -24.882
  536    HA   LYS  68           HA       LYS  68  16.560  -1.578 -26.164
  537   1HB   LYS  68          HB2       LYS  68  18.276  -1.421 -27.998
  538   2HB   LYS  68          HB3       LYS  68  19.293  -2.554 -27.098
  539   1HG   LYS  68          HG2       LYS  68  17.334  -4.200 -27.155
  540   2HG   LYS  68          HG3       LYS  68  16.501  -3.056 -28.221
  541   1HD   LYS  68          HD2       LYS  68  18.443  -3.229 -29.819
  542   2HD   LYS  68          HD3       LYS  68  19.161  -4.457 -28.746
  543   1HE   LYS  68          HE2       LYS  68  17.142  -5.878 -29.029
  544   2HE   LYS  68          HE3       LYS  68  16.423  -4.656 -30.085
  545   1HZ   LYS  68          HZ1       LYS  68  18.915  -6.152 -30.671
  546   2HZ   LYS  68          HZ2       LYS  68  17.463  -6.422 -31.356
  547   3HZ   LYS  68          HZ3       LYS  68  18.243  -5.024 -31.645
  548    H    VAL  69           H        VAL  69  15.954  -2.217 -24.081
  549    HA   VAL  69           HA       VAL  69  17.431  -4.182 -22.543
  550    HB   VAL  69           HB       VAL  69  15.742  -3.019 -21.393
  551   1HG1  VAL  69          HG11      VAL  69  13.668  -3.812 -23.470
  552   2HG1  VAL  69          HG12      VAL  69  13.378  -2.942 -21.949
  553   3HG1  VAL  69          HG13      VAL  69  14.323  -2.178 -23.218
  554   1HG2  VAL  69          HG21      VAL  69  14.226  -4.755 -20.584
  555   2HG2  VAL  69          HG22      VAL  69  14.527  -5.751 -22.010
  556   3HG2  VAL  69          HG23      VAL  69  15.841  -5.432 -20.859
  557    H    THR  70           H        THR  70  17.618  -6.334 -22.965
  558    HA   THR  70           HA       THR  70  15.959  -7.522 -25.136
  559    HB   THR  70           HB       THR  70  17.930  -8.976 -25.581
  560    HG1  THR  70           HG1      THR  70  19.127  -8.878 -23.745
  561   1HG2  THR  70          HG21      THR  70  19.265  -7.312 -26.760
  562   2HG2  THR  70          HG22      THR  70  17.554  -6.864 -26.886
  563   3HG2  THR  70          HG23      THR  70  18.616  -6.007 -25.746
  564    H    ASP  71           H        ASP  71  16.807  -7.624 -21.748
  565    HA   ASP  71           HA       ASP  71  14.952  -9.862 -21.400
  566   1HB   ASP  71          HB2       ASP  71  17.086 -11.053 -21.620
  567   2HB   ASP  71          HB3       ASP  71  17.845  -9.971 -20.455
  568    H    ILE  72           H        ILE  72  13.988  -9.797 -19.350
  569    HA   ILE  72           HA       ILE  72  14.822  -7.810 -17.375
  570    HB   ILE  72           HB       ILE  72  13.435  -6.451 -18.732
  571   1HG1  ILE  72          HG12      ILE  72  11.655  -7.394 -16.433
  572   2HG1  ILE  72          HG13      ILE  72  13.079  -6.359 -16.261
  573   1HG2  ILE  72          HG21      ILE  72  11.249  -8.575 -18.709
  574   2HG2  ILE  72          HG22      ILE  72  11.151  -6.972 -19.465
  575   3HG2  ILE  72          HG23      ILE  72  12.272  -8.154 -20.101
  576   1HD1  ILE  72          HD11      ILE  72  11.145  -4.942 -16.264
  577   2HD1  ILE  72          HD12      ILE  72  11.984  -4.691 -17.809
  578   3HD1  ILE  72          HD13      ILE  72  10.505  -5.680 -17.734
  579    H    SER  73           H        SER  73  14.175  -8.400 -15.310
  580    HA   SER  73           HA       SER  73  12.588 -10.894 -14.925
  581   1HB   SER  73          HB2       SER  73  15.365 -10.260 -13.796
  582   2HB   SER  73          HB3       SER  73  14.362 -11.652 -13.348
  583    HG   SER  73           HG       SER  73  15.931 -12.174 -14.935
  584    H    VAL  74           H        VAL  74  11.098 -10.504 -13.300
  585    HA   VAL  74           HA       VAL  74  11.569  -8.294 -11.403
  586    HB   VAL  74           HB       VAL  74  10.115  -7.742 -13.154
  587   1HG1  VAL  74          HG11      VAL  74   7.953  -8.839 -13.649
  588   2HG1  VAL  74          HG12      VAL  74   9.372  -9.753 -14.138
  589   3HG1  VAL  74          HG13      VAL  74   8.471 -10.225 -12.666
  590   1HG2  VAL  74          HG21      VAL  74   8.142  -7.021 -11.946
  591   2HG2  VAL  74          HG22      VAL  74   8.238  -8.397 -10.827
  592   3HG2  VAL  74          HG23      VAL  74   9.441  -7.104 -10.742
  593    H    THR  75           H        THR  75  10.925  -8.507  -9.310
  594    HA   THR  75           HA       THR  75   9.621 -11.005  -8.389
  595    HB   THR  75           HB       THR  75  11.957  -9.714  -6.915
  596    HG1  THR  75           HG1      THR  75  12.795 -10.467  -8.852
  597   1HG2  THR  75          HG21      THR  75  10.513 -11.180  -5.582
  598   2HG2  THR  75          HG22      THR  75  10.708 -12.495  -6.760
  599   3HG2  THR  75          HG23      THR  75  12.100 -11.919  -5.809
  600    H    GLU  76           H        GLU  76   7.737 -10.227  -7.403
  601    HA   GLU  76           HA       GLU  76   7.549  -7.496  -6.406
  602   1HB   GLU  76          HB2       GLU  76   5.383  -8.160  -5.544
  603   2HB   GLU  76          HB3       GLU  76   5.532  -8.558  -7.253
  604   1HG   GLU  76          HG2       GLU  76   5.807 -10.902  -6.786
  605   2HG   GLU  76          HG3       GLU  76   5.998 -10.616  -5.053
  606    H    SER  77           H        SER  77   7.065  -7.107  -4.099
  607    HA   SER  77           HA       SER  77   7.897  -9.081  -2.127
  608   1HB   SER  77          HB2       SER  77   9.492  -6.528  -2.614
  609   2HB   SER  77          HB3       SER  77   9.597  -7.486  -1.120
  610    HG   SER  77           HG       SER  77   9.820  -8.919  -3.464
  611    H    ARG  78           H        ARG  78   7.491  -8.191   0.086
  612    HA   ARG  78           HA       ARG  78   5.374  -6.109   0.137
  613   1HB   ARG  78          HB2       ARG  78   5.017  -8.960   1.177
  614   2HB   ARG  78          HB3       ARG  78   3.846  -7.638   1.303
  615   1HG   ARG  78          HG2       ARG  78   3.736  -7.546  -1.210
  616   2HG   ARG  78          HG3       ARG  78   4.803  -8.962  -1.272
  617   1HD   ARG  78          HD2       ARG  78   3.108 -10.244   0.050
  618   2HD   ARG  78          HD3       ARG  78   2.018  -8.846  -0.086
  619    HE   ARG  78           HE       ARG  78   3.089  -9.745  -2.656
  620   1HH1  ARG  78          HH21      ARG  78   0.471 -10.391  -0.325
  621   2HH1  ARG  78          HH22      ARG  78  -0.553 -11.118  -1.508
  622   1HH2  ARG  78          HH11      ARG  78   1.843 -10.659  -4.126
  623   2HH2  ARG  78          HH12      ARG  78   0.238 -11.283  -3.787
  624    H    SER  79           H        SER  79   8.054  -5.956   0.957
  625    HA   SER  79           HA       SER  79   7.930  -5.784   3.920
  626   1HB   SER  79          HB2       SER  79  10.196  -7.008   2.283
  627   2HB   SER  79          HB3       SER  79  10.151  -6.802   4.044
  628    HG   SER  79           HG       SER  79   9.588  -8.928   3.388
  629    H    LEU  80           H        LEU  80   7.328  -3.661   2.911
  630    HA   LEU  80           HA       LEU  80   8.713  -2.360   0.954
  631   1HB   LEU  80          HB2       LEU  80   6.686  -1.562   3.004
  632   2HB   LEU  80          HB3       LEU  80   7.573  -0.255   2.249
  633    HG   LEU  80           HG       LEU  80   6.993  -1.134  -0.013
  634   1HD1  LEU  80          HD11      LEU  80   5.190  -3.067   1.512
  635   2HD1  LEU  80          HD12      LEU  80   5.133  -2.764  -0.236
  636   3HD1  LEU  80          HD13      LEU  80   6.566  -3.504   0.471
  637   1HD2  LEU  80          HD21      LEU  80   4.593  -0.565   1.770
  638   2HD2  LEU  80          HD22      LEU  80   5.672   0.651   1.044
  639   3HD2  LEU  80          HD23      LEU  80   4.684  -0.376  -0.002
  640    H    GLU  81           H        GLU  81   9.800  -0.319   0.881
  641    HA   GLU  81           HA       GLU  81  12.269  -0.349   2.451
  642   1HB   GLU  81          HB2       GLU  81  11.245   1.678   0.408
  643   2HB   GLU  81          HB3       GLU  81  12.885   1.526   1.002
  644   1HG   GLU  81          HG2       GLU  81  11.390  -0.421  -0.807
  645   2HG   GLU  81          HG3       GLU  81  12.688   0.662  -1.268
  646    H    GLY  82           H        GLY  82   9.302   1.619   2.037
  647   1HA   GLY  82          HA2       GLY  82   8.406   3.342   3.272
  648   2HA   GLY  82          HA3       GLY  82   9.504   2.973   4.619
  649    H    HIS  83           H        HIS  83  10.199   3.742   1.193
  650    HA   HIS  83           HA       HIS  83  12.356   5.599   1.960
  651   1HB   HIS  83          HB2       HIS  83  12.134   3.748  -0.044
  652   2HB   HIS  83          HB3       HIS  83  11.539   5.137  -0.895
  653    HD1  HIS  83           HD1      HIS  83  13.606   5.788  -2.401
  654    HD2  HIS  83           HD2      HIS  83  14.607   4.696   1.541
  655    HE1  HIS  83           HE1      HIS  83  16.132   5.819  -2.273
  656    H    HIS  84           H        HIS  84  12.397   7.757   0.750
  657    HA   HIS  84           HA       HIS  84   9.710   8.907   0.220
  658   1HB   HIS  84          HB2       HIS  84  10.550   9.120   2.686
  659   2HB   HIS  84          HB3       HIS  84  11.686  10.302   2.053
  660    HD1  HIS  84           HD1      HIS  84  10.098  12.250   0.417
  661    HD2  HIS  84           HD2      HIS  84   8.426  10.168   3.666
  662    HE1  HIS  84           HE1      HIS  84   8.059  13.609   1.167
  663    H    ARG  85           H        ARG  85  12.036   8.129  -1.484
  664    HA   ARG  85           HA       ARG  85  12.481  10.545  -3.009
  665   1HB   ARG  85          HB2       ARG  85  14.941  10.563  -2.751
  666   2HB   ARG  85          HB3       ARG  85  14.171  10.846  -1.191
  667   1HG   ARG  85          HG2       ARG  85  14.478   8.394  -0.655
  668   2HG   ARG  85          HG3       ARG  85  15.359   8.224  -2.182
  669   1HD   ARG  85          HD2       ARG  85  17.080   9.773  -1.378
  670   2HD   ARG  85          HD3       ARG  85  16.185   9.995   0.147
  671    HE   ARG  85           HE       ARG  85  16.441   7.256  -0.118
  672   1HH1  ARG  85          HH21      ARG  85  18.820   9.886   0.080
  673   2HH1  ARG  85          HH22      ARG  85  20.084   8.865   0.660
  674   1HH2  ARG  85          HH11      ARG  85  18.040   5.933   0.615
  675   2HH2  ARG  85          HH12      ARG  85  19.620   6.530   1.002
  676    H    PHE  86           H        PHE  86  14.052   9.880  -4.898
  677    HA   PHE  86           HA       PHE  86  14.135   6.961  -5.255
  678   1HB   PHE  86          HB2       PHE  86  12.447   8.308  -6.818
  679   2HB   PHE  86          HB3       PHE  86  13.919   8.626  -7.725
  680    HD1  PHE  86           HD1      PHE  86  15.355   6.533  -8.425
  681    HD2  PHE  86           HD2      PHE  86  11.325   6.242  -6.943
  682    HE1  PHE  86           HE1      PHE  86  15.168   4.254  -9.369
  683    HE2  PHE  86           HE2      PHE  86  11.182   3.920  -7.792
  684    HZ   PHE  86           HZ       PHE  86  13.106   2.919  -9.016
  685    H    SER  87           H        SER  87  16.203   6.276  -5.599
  686    HA   SER  87           HA       SER  87  18.305   8.388  -5.731
  687   1HB   SER  87          HB2       SER  87  18.259   5.701  -4.312
  688   2HB   SER  87          HB3       SER  87  19.541   6.919  -4.207
  689    HG   SER  87           HG       SER  87  18.111   8.310  -3.200
  690    H    ILE  88           H        ILE  88  20.437   7.689  -6.483
  691    HA   ILE  88           HA       ILE  88  20.358   5.580  -8.571
  692    HB   ILE  88           HB       ILE  88  21.829   8.246  -8.739
  693   1HG1  ILE  88          HG12      ILE  88  19.352   7.125 -10.090
  694   2HG1  ILE  88          HG13      ILE  88  19.572   8.639  -9.200
  695   1HG2  ILE  88          HG21      ILE  88  22.536   7.425 -10.991
  696   2HG2  ILE  88          HG22      ILE  88  23.189   6.444  -9.694
  697   3HG2  ILE  88          HG23      ILE  88  21.786   5.853 -10.606
  698   1HD1  ILE  88          HD11      ILE  88  20.558   8.058 -12.009
  699   2HD1  ILE  88          HD12      ILE  88  19.238   9.124 -11.525
  700   3HD1  ILE  88          HD13      ILE  88  20.911   9.542 -11.084
  701    H    VAL  89           H        VAL  89  21.952   4.084  -8.354
  702    HA   VAL  89           HA       VAL  89  24.308   4.688  -6.675
  703    HB   VAL  89           HB       VAL  89  23.326   1.989  -6.111
  704   1HG1  VAL  89          HG11      VAL  89  23.802   2.649  -3.809
  705   2HG1  VAL  89          HG12      VAL  89  25.116   3.170  -4.870
  706   3HG1  VAL  89          HG13      VAL  89  23.925   4.353  -4.295
  707   1HG2  VAL  89          HG21      VAL  89  21.504   2.484  -4.584
  708   2HG2  VAL  89          HG22      VAL  89  21.514   4.194  -5.049
  709   3HG2  VAL  89          HG23      VAL  89  21.035   2.942  -6.220
  710    H    TYR  90           H        TYR  90  25.755   2.485  -6.754
  711    HA   TYR  90           HA       TYR  90  25.960   1.672  -9.608
  712   1HB   TYR  90          HB2       TYR  90  28.099   2.888  -7.823
  713   2HB   TYR  90          HB3       TYR  90  28.431   2.121  -9.365
  714    HD1  TYR  90           HD2      TYR  90  26.801   5.066  -7.765
  715    HD2  TYR  90           HD1      TYR  90  28.031   3.214 -11.465
  716    HE1  TYR  90           HE2      TYR  90  26.305   7.167  -8.975
  717    HE2  TYR  90           HE1      TYR  90  27.547   5.314 -12.683
  718    HH   TYR  90           HH       TYR  90  26.784   7.511 -12.523
  719    H    SER  91           H        SER  91  25.570   0.451  -6.573
  720    HA   SER  91           HA       SER  91  26.365  -1.179  -5.256
  721   1HB   SER  91          HB2       SER  91  26.920  -2.713  -7.812
  722   2HB   SER  91          HB3       SER  91  26.675  -3.370  -6.184
  723    HG   SER  91           HG       SER  91  24.858  -2.194  -7.984
  Start of MODEL    3
    1   1H    MET   1          H1        MET   1  -0.086  -0.830   0.142
    2   2H    MET   1          H2        MET   1  -0.523   0.598  -0.552
    3   3H    MET   1          H3        MET   1  -0.693  -0.812  -1.371
    4    HA   MET   1           HA       MET   1   1.215   0.366  -2.213
    5   1HB   MET   1          HB2       MET   1   2.251   0.086   0.648
    6   2HB   MET   1          HB3       MET   1   3.217   0.576  -0.743
    7   1HG   MET   1          HG2       MET   1   0.877   2.103   0.448
    8   2HG   MET   1          HG3       MET   1   2.584   2.512   0.546
    9   1HE   MET   1          HE1       MET   1   1.174   5.405  -1.673
   10   2HE   MET   1          HE2       MET   1   0.366   4.604  -0.308
   11   3HE   MET   1          HE3       MET   1   2.102   4.983  -0.218
   12    H    LEU   2           H        LEU   2   2.950  -0.852  -3.105
   13    HA   LEU   2           HA       LEU   2   3.458  -3.583  -2.070
   14   1HB   LEU   2          HB2       LEU   2   2.731  -2.842  -4.938
   15   2HB   LEU   2          HB3       LEU   2   3.510  -4.355  -4.501
   16    HG   LEU   2           HG       LEU   2   0.750  -3.499  -3.551
   17   1HD1  LEU   2          HD11      LEU   2   1.601  -5.554  -5.636
   18   2HD1  LEU   2          HD12      LEU   2  -0.063  -5.214  -5.109
   19   3HD1  LEU   2          HD13      LEU   2   0.859  -3.976  -5.972
   20   1HD2  LEU   2          HD21      LEU   2   0.551  -5.885  -2.828
   21   2HD2  LEU   2          HD22      LEU   2   2.273  -6.128  -3.205
   22   3HD2  LEU   2          HD23      LEU   2   1.780  -5.010  -1.916
   23    H    GLN   3           H        GLN   3   5.418  -4.425  -3.497
   24    HA   GLN   3           HA       GLN   3   7.297  -2.292  -4.219
   25   1HB   GLN   3          HB2       GLN   3   7.638  -2.680  -1.837
   26   2HB   GLN   3          HB3       GLN   3   7.753  -4.417  -2.073
   27   1HG   GLN   3          HG2       GLN   3   9.767  -2.670  -3.485
   28   2HG   GLN   3          HG3       GLN   3   9.843  -2.752  -1.739
   29   1HE2  GLN   3          HE22      GLN   3  11.629  -4.024  -1.282
   30   2HE2  GLN   3          HE21      GLN   3  11.856  -5.627  -1.956
   31    H    TYR   4           H        TYR   4   8.934  -3.085  -5.679
   32    HA   TYR   4           HA       TYR   4   9.114  -5.944  -6.056
   33   1HB   TYR   4          HB2       TYR   4   9.038  -5.867  -8.538
   34   2HB   TYR   4          HB3       TYR   4   7.507  -5.658  -7.739
   35    HD1  TYR   4           HD2      TYR   4  10.221  -3.132  -8.725
   36    HD2  TYR   4           HD1      TYR   4   6.152  -4.524  -9.187
   37    HE1  TYR   4           HE2      TYR   4   9.784  -1.314 -10.312
   38    HE2  TYR   4           HE1      TYR   4   5.737  -2.735 -10.820
   39    HH   TYR   4           HH       TYR   4   6.605  -0.877 -11.907
   40    H    ARG   5           H        ARG   5  10.942  -6.516  -7.459
   41    HA   ARG   5           HA       ARG   5  13.051  -4.452  -7.677
   42   1HB   ARG   5          HB2       ARG   5  13.340  -6.027  -5.651
   43   2HB   ARG   5          HB3       ARG   5  13.595  -7.328  -6.816
   44   1HG   ARG   5          HG2       ARG   5  15.601  -6.153  -7.704
   45   2HG   ARG   5          HG3       ARG   5  15.259  -4.766  -6.650
   46   1HD   ARG   5          HD2       ARG   5  15.362  -6.397  -4.672
   47   2HD   ARG   5          HD3       ARG   5  16.019  -7.592  -5.807
   48    HE   ARG   5           HE       ARG   5  17.537  -5.154  -5.956
   49   1HH1  ARG   5          HH21      ARG   5  16.996  -7.826  -3.659
   50   2HH1  ARG   5          HH22      ARG   5  18.520  -7.620  -2.882
   51   1HH2  ARG   5          HH11      ARG   5  19.470  -4.921  -5.025
   52   2HH2  ARG   5          HH12      ARG   5  19.992  -5.872  -3.645
   53    H    ILE   6           H        ILE   6  13.995  -4.569  -9.715
   54    HA   ILE   6           HA       ILE   6  13.119  -6.732 -11.538
   55    HB   ILE   6           HB       ILE   6  12.885  -3.726 -11.999
   56   1HG1  ILE   6          HG12      ILE   6  10.839  -5.952 -11.743
   57   2HG1  ILE   6          HG13      ILE   6  11.042  -4.568 -10.681
   58   1HG2  ILE   6          HG21      ILE   6  12.088  -4.203 -14.251
   59   2HG2  ILE   6          HG22      ILE   6  13.692  -4.882 -14.061
   60   3HG2  ILE   6          HG23      ILE   6  12.275  -5.947 -13.993
   61   1HD1  ILE   6          HD11      ILE   6   9.937  -4.519 -13.512
   62   2HD1  ILE   6          HD12      ILE   6   9.082  -4.221 -11.999
   63   3HD1  ILE   6          HD13      ILE   6  10.309  -3.063 -12.553
   64    H    ILE   7           H        ILE   7  14.710  -7.302 -12.990
   65    HA   ILE   7           HA       ILE   7  17.307  -5.833 -12.844
   66    HB   ILE   7           HB       ILE   7  17.023  -8.762 -13.572
   67   1HG1  ILE   7          HG12      ILE   7  16.261  -8.752 -11.283
   68   2HG1  ILE   7          HG13      ILE   7  17.870  -9.431 -11.377
   69   1HG2  ILE   7          HG21      ILE   7  19.033  -7.701 -14.378
   70   2HG2  ILE   7          HG22      ILE   7  19.409  -7.054 -12.772
   71   3HG2  ILE   7          HG23      ILE   7  19.447  -8.810 -13.068
   72   1HD1  ILE   7          HD11      ILE   7  17.161  -6.644 -10.374
   73   2HD1  ILE   7          HD12      ILE   7  17.697  -8.027  -9.410
   74   3HD1  ILE   7          HD13      ILE   7  18.816  -7.257 -10.548
   75    H    VAL   8           H        VAL   8  18.145  -5.310 -14.900
   76    HA   VAL   8           HA       VAL   8  16.562  -6.122 -17.280
   77    HB   VAL   8           HB       VAL   8  17.452  -3.253 -16.737
   78   1HG1  VAL   8          HG11      VAL   8  15.576  -4.476 -18.799
   79   2HG1  VAL   8          HG12      VAL   8  15.961  -2.750 -18.660
   80   3HG1  VAL   8          HG13      VAL   8  17.224  -3.896 -19.129
   81   1HG2  VAL   8          HG21      VAL   8  15.020  -2.720 -16.476
   82   2HG2  VAL   8          HG22      VAL   8  14.669  -4.456 -16.410
   83   3HG2  VAL   8          HG23      VAL   8  15.655  -3.688 -15.144
   84    H    ASP   9           H        ASP   9  17.858  -6.592 -18.995
   85    HA   ASP   9           HA       ASP   9  20.806  -6.180 -18.733
   86   1HB   ASP   9          HB2       ASP   9  20.156  -8.451 -18.028
   87   2HB   ASP   9          HB3       ASP   9  19.268  -8.673 -19.533
   88    H    GLY  10           H        GLY  10  21.855  -6.009 -20.805
   89   1HA   GLY  10          HA2       GLY  10  21.416  -6.392 -23.310
   90   2HA   GLY  10          HA3       GLY  10  20.066  -5.276 -23.070
   91    H    ARG  11           H        ARG  11  21.075  -3.861 -24.574
   92    HA   ARG  11           HA       ARG  11  23.553  -2.437 -23.808
   93   1HB   ARG  11          HB2       ARG  11  23.022  -2.874 -26.196
   94   2HB   ARG  11          HB3       ARG  11  21.533  -1.936 -26.035
   95   1HG   ARG  11          HG2       ARG  11  22.863   0.096 -25.523
   96   2HG   ARG  11          HG3       ARG  11  24.360  -0.845 -25.643
   97   1HD   ARG  11          HD2       ARG  11  23.977  -1.306 -27.988
   98   2HD   ARG  11          HD3       ARG  11  22.346  -0.643 -27.930
   99    HE   ARG  11           HE       ARG  11  24.864   0.807 -28.156
  100   1HH1  ARG  11          HH21      ARG  11  21.428   1.092 -27.369
  101   2HH1  ARG  11          HH22      ARG  11  21.406   2.824 -27.362
  102   1HH2  ARG  11          HH11      ARG  11  24.799   3.102 -28.413
  103   2HH2  ARG  11          HH12      ARG  11  23.332   3.969 -28.162
  104    H    VAL  12           H        VAL  12  22.572  -2.121 -21.644
  105    HA   VAL  12           HA       VAL  12  20.904   0.354 -21.549
  106    HB   VAL  12           HB       VAL  12  19.908  -0.577 -19.454
  107   1HG1  VAL  12          HG11      VAL  12  18.663  -0.610 -21.576
  108   2HG1  VAL  12          HG12      VAL  12  19.334  -2.213 -21.958
  109   3HG1  VAL  12          HG13      VAL  12  18.259  -1.997 -20.561
  110   1HG2  VAL  12          HG21      VAL  12  20.908  -3.300 -20.369
  111   2HG2  VAL  12          HG22      VAL  12  21.643  -2.382 -19.043
  112   3HG2  VAL  12          HG23      VAL  12  19.958  -2.914 -18.928
  113    H    GLN  13           H        GLN  13  23.945  -0.613 -21.214
  114    HA   GLN  13           HA       GLN  13  24.552   1.413 -19.187
  115   1HB   GLN  13          HB2       GLN  13  25.763  -1.395 -19.180
  116   2HB   GLN  13          HB3       GLN  13  26.360  -0.017 -18.239
  117   1HG   GLN  13          HG2       GLN  13  24.121   0.147 -17.118
  118   2HG   GLN  13          HG3       GLN  13  23.613  -1.306 -17.983
  119   1HE2  GLN  13          HE22      GLN  13  24.969  -3.345 -17.583
  120   2HE2  GLN  13          HE21      GLN  13  25.515  -3.554 -15.942
  121    H    GLY  14           H        GLY  14  26.697   2.328 -19.644
  122   1HA   GLY  14          HA2       GLY  14  28.072   3.315 -21.237
  123   2HA   GLY  14          HA3       GLY  14  27.691   2.032 -22.397
  124    H    VAL  15           H        VAL  15  24.791   3.078 -21.064
  125    HA   VAL  15           HA       VAL  15  24.284   5.444 -22.679
  126    HB   VAL  15           HB       VAL  15  22.093   4.403 -23.435
  127   1HG1  VAL  15          HG11      VAL  15  24.009   4.796 -24.975
  128   2HG1  VAL  15          HG12      VAL  15  24.551   3.124 -24.691
  129   3HG1  VAL  15          HG13      VAL  15  22.974   3.442 -25.441
  130   1HG2  VAL  15          HG21      VAL  15  21.924   1.986 -23.708
  131   2HG2  VAL  15          HG22      VAL  15  23.480   1.728 -22.904
  132   3HG2  VAL  15          HG23      VAL  15  22.089   2.380 -21.997
  133    H    GLY  16           H        GLY  16  22.345   6.524 -21.790
  134   1HA   GLY  16          HA2       GLY  16  22.718   6.485 -18.956
  135   2HA   GLY  16          HA3       GLY  16  21.802   7.658 -19.904
  136    H    PHE  17           H        PHE  17  21.105   4.126 -19.726
  137    HA   PHE  17           HA       PHE  17  18.362   4.557 -19.511
  138   1HB   PHE  17          HB2       PHE  17  19.410   2.431 -20.224
  139   2HB   PHE  17          HB3       PHE  17  19.934   2.137 -18.568
  140    HD1  PHE  17           HD1      PHE  17  16.627   3.284 -20.000
  141    HD2  PHE  17           HD2      PHE  17  18.726   0.314 -17.692
  142    HE1  PHE  17           HE1      PHE  17  14.493   2.155 -19.521
  143    HE2  PHE  17           HE2      PHE  17  16.589  -0.851 -17.257
  144    HZ   PHE  17           HZ       PHE  17  14.465   0.034 -18.200
  145    H    ARG  18           H        ARG  18  20.696   4.269 -16.809
  146    HA   ARG  18           HA       ARG  18  18.803   4.038 -14.694
  147   1HB   ARG  18          HB2       ARG  18  21.545   5.357 -14.826
  148   2HB   ARG  18          HB3       ARG  18  20.627   5.254 -13.331
  149   1HG   ARG  18          HG2       ARG  18  20.903   3.010 -13.065
  150   2HG   ARG  18          HG3       ARG  18  20.892   2.655 -14.777
  151   1HD   ARG  18          HD2       ARG  18  23.194   3.709 -13.100
  152   2HD   ARG  18          HD3       ARG  18  23.071   2.118 -13.847
  153    HE   ARG  18           HE       ARG  18  24.198   4.425 -14.962
  154   1HH1  ARG  18          HH21      ARG  18  22.059   1.823 -16.093
  155   2HH1  ARG  18          HH22      ARG  18  22.429   2.036 -17.765
  156   1HH2  ARG  18          HH11      ARG  18  24.687   4.736 -17.145
  157   2HH2  ARG  18          HH12      ARG  18  23.828   3.877 -18.376
  158    H    TYR  19           H        TYR  19  19.833   6.970 -16.506
  159    HA   TYR  19           HA       TYR  19  18.405   8.756 -14.722
  160   1HB   TYR  19          HB2       TYR  19  19.378   9.193 -17.573
  161   2HB   TYR  19          HB3       TYR  19  18.784  10.433 -16.481
  162    HD1  TYR  19           HD2      TYR  19  20.047  10.922 -14.317
  163    HD2  TYR  19           HD1      TYR  19  21.680   8.477 -17.473
  164    HE1  TYR  19           HE2      TYR  19  22.308  11.213 -13.361
  165    HE2  TYR  19           HE1      TYR  19  23.950   8.752 -16.521
  166    HH   TYR  19           HH       TYR  19  24.575  10.698 -13.560
  167    H    PHE  20           H        PHE  20  17.640   7.086 -17.835
  168    HA   PHE  20           HA       PHE  20  15.123   8.304 -18.285
  169   1HB   PHE  20          HB2       PHE  20  16.269   6.841 -19.919
  170   2HB   PHE  20          HB3       PHE  20  15.991   5.440 -18.890
  171    HD1  PHE  20           HD2      PHE  20  14.330   7.936 -21.087
  172    HD2  PHE  20           HD1      PHE  20  13.861   4.323 -18.775
  173    HE1  PHE  20           HE2      PHE  20  12.154   7.501 -22.198
  174    HE2  PHE  20           HE1      PHE  20  11.705   3.872 -19.921
  175    HZ   PHE  20           HZ       PHE  20  10.845   5.463 -21.625
  176    H    VAL  21           H        VAL  21  15.934   5.284 -16.500
  177    HA   VAL  21           HA       VAL  21  13.313   4.777 -15.554
  178    HB   VAL  21           HB       VAL  21  16.050   4.009 -14.459
  179   1HG1  VAL  21          HG11      VAL  21  14.878   2.144 -13.336
  180   2HG1  VAL  21          HG12      VAL  21  14.325   3.692 -12.710
  181   3HG1  VAL  21          HG13      VAL  21  13.323   2.783 -13.877
  182   1HG2  VAL  21          HG21      VAL  21  15.613   3.166 -16.764
  183   2HG2  VAL  21          HG22      VAL  21  15.616   1.848 -15.599
  184   3HG2  VAL  21          HG23      VAL  21  14.077   2.477 -16.227
  185    H    GLN  22           H        GLN  22  15.986   6.751 -14.108
  186    HA   GLN  22           HA       GLN  22  14.763   7.277 -11.654
  187   1HB   GLN  22          HB2       GLN  22  17.128   7.938 -12.404
  188   2HB   GLN  22          HB3       GLN  22  16.430   9.257 -13.294
  189   1HG   GLN  22          HG2       GLN  22  17.192  10.164 -11.243
  190   2HG   GLN  22          HG3       GLN  22  15.427  10.144 -11.143
  191   1HE2  GLN  22          HE22      GLN  22  17.072   7.081 -10.792
  192   2HE2  GLN  22          HE21      GLN  22  16.879   6.925  -9.060
  193    H    MET  23           H        MET  23  14.438   9.082 -14.741
  194    HA   MET  23           HA       MET  23  12.656  11.031 -13.596
  195   1HB   MET  23          HB2       MET  23  13.292  10.295 -16.481
  196   2HB   MET  23          HB3       MET  23  12.343  11.709 -15.980
  197   1HG   MET  23          HG2       MET  23  14.245  12.507 -14.607
  198   2HG   MET  23          HG3       MET  23  15.226  11.151 -15.123
  199   1HE   MET  23          HE1       MET  23  15.947  11.938 -18.895
  200   2HE   MET  23          HE2       MET  23  16.350  10.913 -17.503
  201   3HE   MET  23          HE3       MET  23  14.726  10.836 -18.226
  202    H    GLU  24           H        GLU  24  12.116   7.971 -15.416
  203    HA   GLU  24           HA       GLU  24   9.288   8.337 -15.627
  204   1HB   GLU  24          HB2       GLU  24  11.063   5.868 -15.733
  205   2HB   GLU  24          HB3       GLU  24   9.316   5.794 -15.959
  206   1HG   GLU  24          HG2       GLU  24  11.217   7.430 -17.697
  207   2HG   GLU  24          HG3       GLU  24  10.535   5.861 -18.107
  208    H    ALA  25           H        ALA  25  11.297   7.002 -12.982
  209    HA   ALA  25           HA       ALA  25   9.031   6.088 -11.423
  210   1HB   ALA  25          HB1       ALA  25  11.376   5.324 -11.025
  211   2HB   ALA  25          HB2       ALA  25  11.817   6.971 -10.553
  212   3HB   ALA  25          HB3       ALA  25  10.660   6.048  -9.576
  213    H    ASP  26           H        ASP  26  10.992   9.092 -11.542
  214    HA   ASP  26           HA       ASP  26   9.821  10.367  -9.313
  215   1HB   ASP  26          HB2       ASP  26  11.953  11.070 -10.256
  216   2HB   ASP  26          HB3       ASP  26  11.174  11.542 -11.769
  217    H    LYS  27           H        LYS  27   8.975  10.695 -12.839
  218    HA   LYS  27           HA       LYS  27   6.841  12.507 -12.326
  219   1HB   LYS  27          HB2       LYS  27   6.145  12.189 -14.582
  220   2HB   LYS  27          HB3       LYS  27   7.894  12.233 -14.514
  221   1HG   LYS  27          HG2       LYS  27   7.582  10.551 -16.011
  222   2HG   LYS  27          HG3       LYS  27   7.743   9.620 -14.528
  223   1HD   LYS  27          HD2       LYS  27   5.266   9.381 -14.411
  224   2HD   LYS  27          HD3       LYS  27   5.092  10.366 -15.863
  225   1HE   LYS  27          HE2       LYS  27   6.621   7.726 -15.709
  226   2HE   LYS  27          HE3       LYS  27   4.929   7.861 -16.198
  227   1HZ   LYS  27          HZ1       LYS  27   6.469   7.779 -18.081
  228   2HZ   LYS  27          HZ2       LYS  27   5.614   9.193 -18.094
  229   3HZ   LYS  27          HZ3       LYS  27   7.207   9.112 -17.631
  230    H    ARG  28           H        ARG  28   7.035   9.140 -11.664
  231    HA   ARG  28           HA       ARG  28   4.087   8.977 -11.359
  232   1HB   ARG  28          HB2       ARG  28   5.738   7.231 -12.651
  233   2HB   ARG  28          HB3       ARG  28   5.889   6.585 -11.028
  234   1HG   ARG  28          HG2       ARG  28   4.141   5.385 -12.129
  235   2HG   ARG  28          HG3       ARG  28   3.332   6.452 -10.971
  236   1HD   ARG  28          HD2       ARG  28   2.824   8.061 -12.817
  237   2HD   ARG  28          HD3       ARG  28   3.722   7.041 -13.937
  238    HE   ARG  28           HE       ARG  28   1.940   5.653 -14.153
  239   1HH1  ARG  28          HH21      ARG  28   1.244   7.738 -11.362
  240   2HH1  ARG  28          HH22      ARG  28  -0.335   7.102 -11.115
  241   1HH2  ARG  28          HH11      ARG  28  -0.069   4.718 -13.756
  242   2HH2  ARG  28          HH12      ARG  28  -1.125   5.360 -12.544
  243    H    LYS  29           H        LYS  29   6.501  10.109  -9.569
  244    HA   LYS  29           HA       LYS  29   7.097  10.258  -7.435
  245   1HB   LYS  29          HB2       LYS  29   4.096   9.989  -7.015
  246   2HB   LYS  29          HB3       LYS  29   5.247  10.671  -5.857
  247   1HG   LYS  29          HG2       LYS  29   5.872  12.429  -7.495
  248   2HG   LYS  29          HG3       LYS  29   4.665  11.797  -8.632
  249   1HD   LYS  29          HD2       LYS  29   2.880  12.194  -6.960
  250   2HD   LYS  29          HD3       LYS  29   4.061  12.883  -5.843
  251   1HE   LYS  29          HE2       LYS  29   3.427  13.959  -8.633
  252   2HE   LYS  29          HE3       LYS  29   2.729  14.577  -7.135
  253   1HZ   LYS  29          HZ1       LYS  29   4.960  15.199  -6.414
  254   2HZ   LYS  29          HZ2       LYS  29   5.611  14.652  -7.814
  255   3HZ   LYS  29          HZ3       LYS  29   4.589  15.920  -7.825
  256    H    LEU  30           H        LEU  30   7.483   7.614  -8.373
  257    HA   LEU  30           HA       LEU  30   6.770   5.807  -6.141
  258   1HB   LEU  30          HB2       LEU  30   8.561   5.512  -8.584
  259   2HB   LEU  30          HB3       LEU  30   8.386   4.261  -7.357
  260    HG   LEU  30           HG       LEU  30   6.081   5.368  -9.023
  261   1HD1  LEU  30          HD11      LEU  30   6.178   3.197 -10.177
  262   2HD1  LEU  30          HD12      LEU  30   7.675   4.120 -10.387
  263   3HD1  LEU  30          HD13      LEU  30   7.629   2.761  -9.244
  264   1HD2  LEU  30          HD21      LEU  30   5.208   4.505  -6.927
  265   2HD2  LEU  30          HD22      LEU  30   4.878   3.320  -8.190
  266   3HD2  LEU  30          HD23      LEU  30   6.214   3.039  -7.060
  267    H    ALA  31           H        ALA  31   8.624   4.678  -4.980
  268    HA   ALA  31           HA       ALA  31  10.936   6.475  -4.509
  269   1HB   ALA  31          HB1       ALA  31   9.248   6.948  -2.749
  270   2HB   ALA  31          HB2       ALA  31   9.193   5.214  -2.342
  271   3HB   ALA  31          HB3       ALA  31  10.681   6.147  -2.086
  272    H    GLY  32           H        GLY  32  12.862   5.321  -3.863
  273   1HA   GLY  32          HA2       GLY  32  13.527   2.776  -3.386
  274   2HA   GLY  32          HA3       GLY  32  12.764   2.590  -4.962
  275    H    TRP  33           H        TRP  33  14.755   1.931  -5.975
  276    HA   TRP  33           HA       TRP  33  16.600   4.147  -6.526
  277   1HB   TRP  33          HB2       TRP  33  18.580   2.791  -6.186
  278   2HB   TRP  33          HB3       TRP  33  17.698   3.030  -4.701
  279    HD1  TRP  33           HD1      TRP  33  17.959   0.177  -7.378
  280    HE1  TRP  33           HE1      TRP  33  18.276  -2.063  -6.140
  281    HE3  TRP  33           HE3      TRP  33  17.545   1.832  -2.536
  282    HZ2  TRP  33           HZ2      TRP  33  18.444  -2.978  -3.458
  283    HZ3  TRP  33           HZ3      TRP  33  17.810   0.240  -0.656
  284    HH2  TRP  33           HH2      TRP  33  18.272  -2.165  -1.097
  285    H    VAL  34           H        VAL  34  17.948   3.846  -8.377
  286    HA   VAL  34           HA       VAL  34  17.665   1.277  -9.777
  287    HB   VAL  34           HB       VAL  34  16.237   2.698 -11.087
  288   1HG1  VAL  34          HG11      VAL  34  17.141   4.916 -10.470
  289   2HG1  VAL  34          HG12      VAL  34  18.576   4.616 -11.467
  290   3HG1  VAL  34          HG13      VAL  34  16.970   4.723 -12.221
  291   1HG2  VAL  34          HG21      VAL  34  17.252   2.415 -13.270
  292   2HG2  VAL  34          HG22      VAL  34  18.872   2.377 -12.571
  293   3HG2  VAL  34          HG23      VAL  34  17.748   1.060 -12.244
  294    H    LYS  35           H        LYS  35  19.639   0.508 -10.556
  295    HA   LYS  35           HA       LYS  35  22.054   2.155 -10.365
  296   1HB   LYS  35          HB2       LYS  35  23.017   0.797  -8.538
  297   2HB   LYS  35          HB3       LYS  35  21.607   1.718  -8.026
  298   1HG   LYS  35          HG2       LYS  35  20.205  -0.284  -8.043
  299   2HG   LYS  35          HG3       LYS  35  21.522  -1.230  -8.723
  300   1HD   LYS  35          HD2       LYS  35  22.876  -0.414  -6.594
  301   2HD   LYS  35          HD3       LYS  35  21.277  -0.004  -5.955
  302   1HE   LYS  35          HE2       LYS  35  21.810  -2.214  -5.177
  303   2HE   LYS  35          HE3       LYS  35  20.562  -2.362  -6.416
  304   1HZ   LYS  35          HZ1       LYS  35  23.408  -3.064  -6.565
  305   2HZ   LYS  35          HZ2       LYS  35  22.058  -3.957  -7.026
  306   3HZ   LYS  35          HZ3       LYS  35  22.625  -2.718  -7.954
  307    H    ASN  36           H        ASN  36  24.035   0.736 -10.587
  308    HA   ASN  36           HA       ASN  36  23.856  -1.348 -12.624
  309   1HB   ASN  36          HB2       ASN  36  25.892  -0.036 -12.468
  310   2HB   ASN  36          HB3       ASN  36  26.037  -0.352 -10.734
  311   1HD2  ASN  36          HD22      ASN  36  26.056  -2.049 -13.930
  312   2HD2  ASN  36          HD21      ASN  36  27.091  -3.359 -13.375
  313    H    ARG  37           H        ARG  37  24.328  -3.614 -12.227
  314    HA   ARG  37           HA       ARG  37  24.378  -4.492  -9.397
  315   1HB   ARG  37          HB2       ARG  37  22.114  -4.905 -10.395
  316   2HB   ARG  37          HB3       ARG  37  22.860  -5.929 -11.626
  317   1HG   ARG  37          HG2       ARG  37  23.635  -7.495  -9.898
  318   2HG   ARG  37          HG3       ARG  37  23.060  -6.412  -8.611
  319   1HD   ARG  37          HD2       ARG  37  20.737  -6.694  -9.371
  320   2HD   ARG  37          HD3       ARG  37  21.279  -7.692 -10.725
  321    HE   ARG  37           HE       ARG  37  21.619  -9.488  -9.337
  322   1HH1  ARG  37          HH11      ARG  37  20.811  -6.644  -7.296
  323   2HH1  ARG  37          HH12      ARG  37  20.612  -7.601  -5.873
  324   1HH2  ARG  37          HH21      ARG  37  21.305 -10.706  -7.434
  325   2HH2  ARG  37          HH22      ARG  37  20.868  -9.945  -5.956
  326    H    ASP  38           H        ASP  38  25.970  -5.939  -9.029
  327    HA   ASP  38           HA       ASP  38  28.228  -5.586 -10.540
  328   1HB   ASP  38          HB2       ASP  38  28.201  -6.079  -8.150
  329   2HB   ASP  38          HB3       ASP  38  27.625  -7.718  -8.461
  330    H    ASP  39           H        ASP  39  25.944  -8.268 -10.871
  331    HA   ASP  39           HA       ASP  39  27.609 -10.090 -12.284
  332   1HB   ASP  39          HB2       ASP  39  25.387 -10.651 -11.347
  333   2HB   ASP  39          HB3       ASP  39  24.618  -9.625 -12.562
  334    H    GLY  40           H        GLY  40  26.278  -7.037 -13.264
  335   1HA   GLY  40          HA2       GLY  40  27.409  -5.997 -15.144
  336   2HA   GLY  40          HA3       GLY  40  27.176  -7.474 -16.089
  337    H    ARG  41           H        ARG  41  24.687  -5.936 -13.962
  338    HA   ARG  41           HA       ARG  41  22.993  -5.545 -16.405
  339   1HB   ARG  41          HB2       ARG  41  21.888  -6.552 -13.774
  340   2HB   ARG  41          HB3       ARG  41  21.131  -6.569 -15.355
  341   1HG   ARG  41          HG2       ARG  41  23.341  -8.361 -14.346
  342   2HG   ARG  41          HG3       ARG  41  21.663  -8.800 -14.680
  343   1HD   ARG  41          HD2       ARG  41  21.964  -8.910 -16.956
  344   2HD   ARG  41          HD3       ARG  41  23.300  -7.754 -16.972
  345    HE   ARG  41           HE       ARG  41  23.926 -10.195 -15.522
  346   1HH1  ARG  41          HH21      ARG  41  23.846  -8.866 -18.844
  347   2HH1  ARG  41          HH22      ARG  41  25.201  -9.825 -19.353
  348   1HH2  ARG  41          HH11      ARG  41  25.546 -11.383 -16.147
  349   2HH2  ARG  41          HH12      ARG  41  26.192 -11.387 -17.778
  350    H    VAL  42           H        VAL  42  20.854  -4.393 -15.550
  351    HA   VAL  42           HA       VAL  42  21.598  -2.197 -13.671
  352    HB   VAL  42           HB       VAL  42  19.476  -2.262 -15.869
  353   1HG1  VAL  42          HG11      VAL  42  18.652  -0.937 -13.961
  354   2HG1  VAL  42          HG12      VAL  42  20.179  -0.031 -13.901
  355   3HG1  VAL  42          HG13      VAL  42  19.087   0.129 -15.293
  356   1HG2  VAL  42          HG21      VAL  42  22.052  -0.646 -15.583
  357   2HG2  VAL  42          HG22      VAL  42  21.736  -1.931 -16.764
  358   3HG2  VAL  42          HG23      VAL  42  20.835  -0.423 -16.868
  359    H    GLU  43           H        GLU  43  20.109  -1.907 -11.962
  360    HA   GLU  43           HA       GLU  43  18.032  -3.989 -11.551
  361   1HB   GLU  43          HB2       GLU  43  19.921  -4.725 -10.263
  362   2HB   GLU  43          HB3       GLU  43  20.240  -3.084  -9.668
  363   1HG   GLU  43          HG2       GLU  43  17.947  -3.208  -8.513
  364   2HG   GLU  43          HG3       GLU  43  17.937  -4.929  -8.920
  365    H    ILE  44           H        ILE  44  16.191  -3.118 -10.795
  366    HA   ILE  44           HA       ILE  44  16.089  -0.282  -9.916
  367    HB   ILE  44           HB       ILE  44  14.031  -1.863 -11.499
  368   1HG1  ILE  44          HG12      ILE  44  15.752   0.263 -12.812
  369   2HG1  ILE  44          HG13      ILE  44  16.246  -1.415 -12.856
  370   1HG2  ILE  44          HG21      ILE  44  14.306   1.131 -11.010
  371   2HG2  ILE  44          HG22      ILE  44  13.006   0.352 -11.933
  372   3HG2  ILE  44          HG23      ILE  44  13.148   0.053 -10.204
  373   1HD1  ILE  44          HD11      ILE  44  15.060  -0.920 -14.855
  374   2HD1  ILE  44          HD12      ILE  44  14.188  -2.113 -13.858
  375   3HD1  ILE  44          HD13      ILE  44  13.625  -0.419 -13.940
  376    H    LEU  45           H        LEU  45  14.716  -0.034  -8.067
  377    HA   LEU  45           HA       LEU  45  13.096  -2.333  -7.180
  378   1HB   LEU  45          HB2       LEU  45  15.472  -2.407  -6.154
  379   2HB   LEU  45          HB3       LEU  45  15.037  -0.944  -5.282
  380    HG   LEU  45           HG       LEU  45  13.609  -3.643  -5.110
  381   1HD1  LEU  45          HD11      LEU  45  15.434  -2.255  -3.113
  382   2HD1  LEU  45          HD12      LEU  45  14.660  -3.844  -2.918
  383   3HD1  LEU  45          HD13      LEU  45  15.903  -3.611  -4.156
  384   1HD2  LEU  45          HD21      LEU  45  13.097  -1.013  -3.688
  385   2HD2  LEU  45          HD22      LEU  45  11.935  -2.096  -4.486
  386   3HD2  LEU  45          HD23      LEU  45  12.648  -2.579  -2.967
  387    H    ALA  46           H        ALA  46  11.118  -1.470  -6.513
  388    HA   ALA  46           HA       ALA  46  11.038   1.358  -5.689
  389   1HB   ALA  46          HB1       ALA  46   9.360   0.240  -7.985
  390   2HB   ALA  46          HB2       ALA  46   9.219   1.863  -7.279
  391   3HB   ALA  46          HB3       ALA  46  10.689   1.404  -8.159
  392    H    GLU  47           H        GLU  47   9.344   1.828  -4.370
  393    HA   GLU  47           HA       GLU  47   7.250  -0.218  -3.909
  394   1HB   GLU  47          HB2       GLU  47   6.996   0.604  -1.638
  395   2HB   GLU  47          HB3       GLU  47   8.635   0.002  -1.878
  396   1HG   GLU  47          HG2       GLU  47   9.493   2.299  -2.075
  397   2HG   GLU  47          HG3       GLU  47   7.859   2.961  -1.993
  398    H    GLY  48           H        GLY  48   5.103   0.649  -3.672
  399   1HA   GLY  48          HA2       GLY  48   4.282   3.251  -3.484
  400   2HA   GLY  48          HA3       GLY  48   4.635   3.081  -5.206
  401    HA   PRO  49           HA       PRO  49   0.196   1.709  -4.573
  402   1HB   PRO  49          HB2       PRO  49   0.026   3.491  -7.000
  403   2HB   PRO  49          HB3       PRO  49  -1.142   3.303  -5.658
  404   1HG   PRO  49          HG2       PRO  49   0.482   5.480  -5.793
  405   2HG   PRO  49          HG3       PRO  49   0.172   4.672  -4.220
  406   1HD   PRO  49          HD2       PRO  49   2.578   4.381  -6.035
  407   2HD   PRO  49          HD3       PRO  49   2.515   4.582  -4.259
  408    H    GLU  50           H        GLU  50  -0.793   0.116  -5.919
  409    HA   GLU  50           HA       GLU  50   0.904  -1.448  -7.531
  410   1HB   GLU  50          HB2       GLU  50  -1.091  -2.278  -6.345
  411   2HB   GLU  50          HB3       GLU  50  -2.141  -1.346  -7.419
  412   1HG   GLU  50          HG2       GLU  50  -1.336  -2.683  -9.359
  413   2HG   GLU  50          HG3       GLU  50  -0.266  -3.592  -8.289
  414    H    ASN  51           H        ASN  51  -1.625   0.934  -8.539
  415    HA   ASN  51           HA       ASN  51  -1.355   0.421 -11.331
  416   1HB   ASN  51          HB2       ASN  51  -3.290   1.602 -10.329
  417   2HB   ASN  51          HB3       ASN  51  -2.247   2.961  -9.900
  418   1HD2  ASN  51          HD22      ASN  51  -3.241   4.551 -11.216
  419   2HD2  ASN  51          HD21      ASN  51  -3.352   4.419 -12.950
  420    H    ALA  52           H        ALA  52   0.333   2.723  -9.190
  421    HA   ALA  52           HA       ALA  52   1.782   4.106 -11.251
  422   1HB   ALA  52          HB1       ALA  52   2.385   3.686  -8.287
  423   2HB   ALA  52          HB2       ALA  52   3.230   4.824  -9.344
  424   3HB   ALA  52          HB3       ALA  52   1.505   5.057  -9.001
  425    H    LEU  53           H        LEU  53   2.570   1.306  -9.134
  426    HA   LEU  53           HA       LEU  53   5.179   0.857 -10.162
  427   1HB   LEU  53          HB2       LEU  53   3.109  -0.862  -8.756
  428   2HB   LEU  53          HB3       LEU  53   4.633  -1.544  -9.263
  429    HG   LEU  53           HG       LEU  53   4.436   0.869  -7.419
  430   1HD1  LEU  53          HD11      LEU  53   3.412  -1.085  -6.374
  431   2HD1  LEU  53          HD12      LEU  53   4.836  -2.085  -6.761
  432   3HD1  LEU  53          HD13      LEU  53   4.965  -0.732  -5.617
  433   1HD2  LEU  53          HD21      LEU  53   6.781  -0.999  -7.996
  434   2HD2  LEU  53          HD22      LEU  53   6.636   0.668  -8.581
  435   3HD2  LEU  53          HD23      LEU  53   6.768   0.353  -6.851
  436    H    GLN  54           H        GLN  54   2.002  -0.569 -11.173
  437    HA   GLN  54           HA       GLN  54   3.082  -2.246 -13.198
  438   1HB   GLN  54          HB2       GLN  54   0.381  -0.890 -12.854
  439   2HB   GLN  54          HB3       GLN  54   0.729  -1.982 -14.203
  440   1HG   GLN  54          HG2       GLN  54   1.215  -3.823 -12.708
  441   2HG   GLN  54          HG3       GLN  54   1.047  -2.809 -11.284
  442   1HE2  GLN  54          HE22      GLN  54  -0.432  -5.158 -11.484
  443   2HE2  GLN  54          HE21      GLN  54  -2.118  -4.775 -11.713
  444    H    SER  55           H        SER  55   1.923   1.161 -13.384
  445    HA   SER  55           HA       SER  55   2.394   1.562 -16.156
  446   1HB   SER  55          HB2       SER  55   2.772   3.584 -13.911
  447   2HB   SER  55          HB3       SER  55   2.464   3.931 -15.616
  448    HG   SER  55           HG       SER  55   0.691   2.621 -13.793
  449    H    PHE  56           H        PHE  56   4.601   1.806 -13.328
  450    HA   PHE  56           HA       PHE  56   6.798   2.747 -14.866
  451   1HB   PHE  56          HB2       PHE  56   6.501   3.167 -12.506
  452   2HB   PHE  56          HB3       PHE  56   6.649   1.465 -12.129
  453    HD1  PHE  56           HD2      PHE  56   8.680   3.877 -14.243
  454    HD2  PHE  56           HD1      PHE  56   8.607   1.169 -10.883
  455    HE1  PHE  56           HE2      PHE  56  11.091   4.292 -13.831
  456    HE2  PHE  56           HE1      PHE  56  11.005   1.592 -10.483
  457    HZ   PHE  56           HZ       PHE  56  12.235   3.180 -11.920
  458    H    VAL  57           H        VAL  57   5.689  -0.644 -14.099
  459    HA   VAL  57           HA       VAL  57   8.011  -1.828 -15.305
  460    HB   VAL  57           HB       VAL  57   5.216  -3.025 -15.452
  461   1HG1  VAL  57          HG11      VAL  57   8.021  -4.246 -15.497
  462   2HG1  VAL  57          HG12      VAL  57   6.497  -5.161 -15.528
  463   3HG1  VAL  57          HG13      VAL  57   6.923  -4.115 -16.883
  464   1HG2  VAL  57          HG21      VAL  57   5.911  -4.335 -13.412
  465   2HG2  VAL  57          HG22      VAL  57   7.278  -3.213 -13.226
  466   3HG2  VAL  57          HG23      VAL  57   5.597  -2.636 -13.115
  467    H    GLU  58           H        GLU  58   4.866  -0.686 -16.722
  468    HA   GLU  58           HA       GLU  58   5.434  -1.496 -19.358
  469   1HB   GLU  58          HB2       GLU  58   3.826   0.919 -18.430
  470   2HB   GLU  58          HB3       GLU  58   3.837   0.289 -20.067
  471   1HG   GLU  58          HG2       GLU  58   2.885  -1.253 -17.618
  472   2HG   GLU  58          HG3       GLU  58   1.853  -0.402 -18.754
  473    H    ALA  59           H        ALA  59   6.389   1.505 -17.644
  474    HA   ALA  59           HA       ALA  59   7.722   2.703 -19.850
  475   1HB   ALA  59          HB1       ALA  59   8.277   3.005 -16.866
  476   2HB   ALA  59          HB2       ALA  59   8.839   4.081 -18.153
  477   3HB   ALA  59          HB3       ALA  59   7.102   3.947 -17.814
  478    H    VAL  60           H        VAL  60   8.993   0.637 -17.160
  479    HA   VAL  60           HA       VAL  60  11.698   0.791 -17.955
  480    HB   VAL  60           HB       VAL  60  10.076  -1.052 -16.177
  481   1HG1  VAL  60          HG11      VAL  60  13.089  -1.201 -16.555
  482   2HG1  VAL  60          HG12      VAL  60  12.151  -1.995 -15.265
  483   3HG1  VAL  60          HG13      VAL  60  11.914  -2.476 -16.940
  484   1HG2  VAL  60          HG21      VAL  60  11.228   0.127 -14.382
  485   2HG2  VAL  60          HG22      VAL  60  12.292   0.955 -15.541
  486   3HG2  VAL  60          HG23      VAL  60  10.569   1.342 -15.478
  487    H    LYS  61           H        LYS  61   9.181  -1.689 -18.747
  488    HA   LYS  61           HA       LYS  61  11.059  -3.430 -19.976
  489   1HB   LYS  61          HB2       LYS  61   9.233  -4.746 -20.654
  490   2HB   LYS  61          HB3       LYS  61   8.789  -4.061 -19.092
  491   1HG   LYS  61          HG2       LYS  61   7.389  -2.345 -20.287
  492   2HG   LYS  61          HG3       LYS  61   7.831  -3.104 -21.830
  493   1HD   LYS  61          HD2       LYS  61   6.866  -5.292 -20.816
  494   2HD   LYS  61          HD3       LYS  61   6.153  -4.236 -19.574
  495   1HE   LYS  61          HE2       LYS  61   5.161  -2.868 -21.507
  496   2HE   LYS  61          HE3       LYS  61   5.726  -4.138 -22.600
  497   1HZ   LYS  61          HZ1       LYS  61   3.753  -4.397 -20.416
  498   2HZ   LYS  61          HZ2       LYS  61   3.456  -4.532 -22.016
  499   3HZ   LYS  61          HZ3       LYS  61   4.327  -5.699 -21.269
  500    H    ASN  62           H        ASN  62   9.677  -0.491 -21.224
  501    HA   ASN  62           HA       ASN  62  10.036  -1.083 -24.041
  502   1HB   ASN  62          HB2       ASN  62   8.650   0.820 -23.131
  503   2HB   ASN  62          HB3       ASN  62  10.142   1.602 -22.595
  504   1HD2  ASN  62          HD22      ASN  62  11.430   2.710 -24.121
  505   2HD2  ASN  62          HD21      ASN  62  10.940   2.902 -25.796
  506    H    GLY  63           H        GLY  63  12.167  -0.200 -21.375
  507   1HA   GLY  63          HA2       GLY  63  14.394   0.343 -21.261
  508   2HA   GLY  63          HA3       GLY  63  14.587   0.071 -22.999
  509    H    SER  64           H        SER  64  15.791   2.297 -22.068
  510    HA   SER  64           HA       SER  64  14.185   4.677 -22.588
  511   1HB   SER  64          HB2       SER  64  16.272   4.972 -21.429
  512   2HB   SER  64          HB3       SER  64  17.163   4.094 -22.675
  513    HG   SER  64           HG       SER  64  17.266   6.452 -22.749
  514    HA   PRO  65           HA       PRO  65  14.006   4.109 -27.126
  515   1HB   PRO  65          HB2       PRO  65  14.576   7.079 -26.994
  516   2HB   PRO  65          HB3       PRO  65  13.425   6.204 -28.052
  517   1HG   PRO  65          HG2       PRO  65  12.532   7.491 -25.839
  518   2HG   PRO  65          HG3       PRO  65  11.908   5.857 -26.238
  519   1HD   PRO  65          HD2       PRO  65  14.003   6.622 -24.198
  520   2HD   PRO  65          HD3       PRO  65  12.686   5.406 -24.087
  521    H    PHE  66           H        PHE  66  16.666   5.700 -25.365
  522    HA   PHE  66           HA       PHE  66  18.498   5.545 -27.668
  523   1HB   PHE  66          HB2       PHE  66  18.893   6.528 -24.816
  524   2HB   PHE  66          HB3       PHE  66  20.066   6.666 -26.117
  525    HD1  PHE  66           HD1      PHE  66  19.577   8.099 -28.137
  526    HD2  PHE  66           HD2      PHE  66  17.047   8.122 -24.639
  527    HE1  PHE  66           HE1      PHE  66  18.562  10.239 -28.878
  528    HE2  PHE  66           HE2      PHE  66  16.036  10.257 -25.388
  529    HZ   PHE  66           HZ       PHE  66  16.788  11.321 -27.508
  530    H    SER  67           H        SER  67  17.402   3.223 -25.589
  531    HA   SER  67           HA       SER  67  20.014   1.797 -25.332
  532   1HB   SER  67          HB2       SER  67  17.704   1.926 -23.355
  533   2HB   SER  67          HB3       SER  67  19.173   0.970 -23.165
  534    HG   SER  67           HG       SER  67  19.185   3.793 -23.480
  535    H    LYS  68           H        LYS  68  19.425  -0.649 -24.824
  536    HA   LYS  68           HA       LYS  68  16.925  -1.549 -26.103
  537   1HB   LYS  68          HB2       LYS  68  18.567  -1.427 -27.960
  538   2HB   LYS  68          HB3       LYS  68  19.639  -2.527 -27.085
  539   1HG   LYS  68          HG2       LYS  68  17.840  -4.261 -27.093
  540   2HG   LYS  68          HG3       LYS  68  16.800  -3.168 -28.011
  541   1HD   LYS  68          HD2       LYS  68  19.500  -4.253 -28.938
  542   2HD   LYS  68          HD3       LYS  68  17.920  -4.903 -29.397
  543   1HE   LYS  68          HE2       LYS  68  17.315  -2.705 -30.414
  544   2HE   LYS  68          HE3       LYS  68  18.922  -2.086 -30.012
  545   1HZ   LYS  68          HZ1       LYS  68  18.822  -2.860 -32.291
  546   2HZ   LYS  68          HZ2       LYS  68  19.866  -3.794 -31.461
  547   3HZ   LYS  68          HZ3       LYS  68  18.377  -4.357 -31.836
  548    H    VAL  69           H        VAL  69  16.230  -2.306 -24.148
  549    HA   VAL  69           HA       VAL  69  17.682  -4.209 -22.514
  550    HB   VAL  69           HB       VAL  69  15.864  -3.120 -21.489
  551   1HG1  VAL  69          HG11      VAL  69  13.526  -3.173 -22.216
  552   2HG1  VAL  69          HG12      VAL  69  14.524  -2.341 -23.399
  553   3HG1  VAL  69          HG13      VAL  69  13.984  -4.007 -23.714
  554   1HG2  VAL  69          HG21      VAL  69  14.812  -5.906 -22.168
  555   2HG2  VAL  69          HG22      VAL  69  16.045  -5.534 -20.947
  556   3HG2  VAL  69          HG23      VAL  69  14.392  -4.923 -20.762
  557    H    THR  70           H        THR  70  17.952  -6.378 -22.902
  558    HA   THR  70           HA       THR  70  16.519  -7.595 -25.216
  559    HB   THR  70           HB       THR  70  18.530  -9.037 -25.451
  560    HG1  THR  70           HG1      THR  70  19.540  -8.917 -23.507
  561   1HG2  THR  70          HG21      THR  70  19.967  -7.367 -26.497
  562   2HG2  THR  70          HG22      THR  70  18.273  -6.947 -26.809
  563   3HG2  THR  70          HG23      THR  70  19.195  -6.060 -25.574
  564    H    ASP  71           H        ASP  71  17.128  -7.739 -21.751
  565    HA   ASP  71           HA       ASP  71  15.133  -9.854 -21.565
  566   1HB   ASP  71          HB2       ASP  71  17.194 -11.200 -21.734
  567   2HB   ASP  71          HB3       ASP  71  17.941 -10.253 -20.450
  568    H    ILE  72           H        ILE  72  14.208  -9.920 -19.448
  569    HA   ILE  72           HA       ILE  72  14.999  -7.926 -17.468
  570    HB   ILE  72           HB       ILE  72  13.656  -6.596 -18.928
  571   1HG1  ILE  72          HG12      ILE  72  11.854  -7.369 -16.599
  572   2HG1  ILE  72          HG13      ILE  72  13.313  -6.391 -16.451
  573   1HG2  ILE  72          HG21      ILE  72  12.443  -8.357 -20.190
  574   2HG2  ILE  72          HG22      ILE  72  11.416  -8.659 -18.772
  575   3HG2  ILE  72          HG23      ILE  72  11.360  -7.104 -19.625
  576   1HD1  ILE  72          HD11      ILE  72  10.812  -5.645 -18.016
  577   2HD1  ILE  72          HD12      ILE  72  11.406  -4.923 -16.519
  578   3HD1  ILE  72          HD13      ILE  72  12.330  -4.709 -18.020
  579    H    SER  73           H        SER  73  14.198  -8.444 -15.399
  580    HA   SER  73           HA       SER  73  12.662 -10.970 -15.031
  581   1HB   SER  73          HB2       SER  73  15.323 -10.250 -13.700
  582   2HB   SER  73          HB3       SER  73  14.341 -11.686 -13.365
  583    HG   SER  73           HG       SER  73  16.060 -12.131 -14.809
  584    H    VAL  74           H        VAL  74  11.540 -10.996 -12.959
  585    HA   VAL  74           HA       VAL  74  11.479  -8.422 -11.468
  586    HB   VAL  74           HB       VAL  74   9.075  -9.895 -12.641
  587   1HG1  VAL  74          HG11      VAL  74   7.785  -7.871 -11.922
  588   2HG1  VAL  74          HG12      VAL  74   8.420  -8.808 -10.577
  589   3HG1  VAL  74          HG13      VAL  74   9.219  -7.299 -11.047
  590   1HG2  VAL  74          HG21      VAL  74  10.190  -8.782 -14.476
  591   2HG2  VAL  74          HG22      VAL  74   8.743  -7.869 -14.062
  592   3HG2  VAL  74          HG23      VAL  74  10.335  -7.278 -13.544
  593    H    THR  75           H        THR  75  10.953  -8.645  -9.307
  594    HA   THR  75           HA       THR  75   9.721 -11.133  -8.305
  595    HB   THR  75           HB       THR  75  12.012  -9.710  -6.870
  596    HG1  THR  75           HG1      THR  75  12.835 -10.727  -8.703
  597   1HG2  THR  75          HG21      THR  75  10.516 -10.955  -5.380
  598   2HG2  THR  75          HG22      THR  75  10.679 -12.412  -6.386
  599   3HG2  THR  75          HG23      THR  75  12.079 -11.771  -5.494
  600    H    GLU  76           H        GLU  76   8.107 -10.538  -6.712
  601    HA   GLU  76           HA       GLU  76   7.831  -7.632  -6.153
  602   1HB   GLU  76          HB2       GLU  76   5.506  -7.790  -6.605
  603   2HB   GLU  76          HB3       GLU  76   6.396  -8.451  -7.984
  604   1HG   GLU  76          HG2       GLU  76   5.928 -10.764  -7.154
  605   2HG   GLU  76          HG3       GLU  76   4.986 -10.081  -5.827
  606    H    SER  77           H        SER  77   6.535  -7.105  -4.255
  607    HA   SER  77           HA       SER  77   6.178  -9.121  -2.175
  608   1HB   SER  77          HB2       SER  77   8.670  -8.594  -2.258
  609   2HB   SER  77          HB3       SER  77   8.267  -6.916  -1.857
  610    HG   SER  77           HG       SER  77   8.814  -8.485  -0.096
  611    H    ARG  78           H        ARG  78   5.696  -7.896  -0.094
  612    HA   ARG  78           HA       ARG  78   4.405  -5.251  -0.488
  613   1HB   ARG  78          HB2       ARG  78   2.704  -7.091  -0.431
  614   2HB   ARG  78          HB3       ARG  78   3.249  -7.518   1.193
  615   1HG   ARG  78          HG2       ARG  78   2.441  -5.398   2.085
  616   2HG   ARG  78          HG3       ARG  78   2.214  -4.747   0.459
  617   1HD   ARG  78          HD2       ARG  78   0.064  -5.337   1.381
  618   2HD   ARG  78          HD3       ARG  78   0.439  -6.430   0.039
  619    HE   ARG  78           HE       ARG  78   1.275  -7.507   2.592
  620   1HH1  ARG  78          HH21      ARG  78  -1.609  -7.046   0.574
  621   2HH1  ARG  78          HH22      ARG  78  -2.470  -8.378   1.248
  622   1HH2  ARG  78          HH11      ARG  78   0.132  -9.292   3.487
  623   2HH2  ARG  78          HH12      ARG  78  -1.455  -9.677   2.947
  624    H    SER  79           H        SER  79   6.927  -6.831   0.812
  625    HA   SER  79           HA       SER  79   7.107  -5.295   3.338
  626   1HB   SER  79          HB2       SER  79   9.131  -7.078   1.902
  627   2HB   SER  79          HB3       SER  79   9.318  -6.355   3.508
  628    HG   SER  79           HG       SER  79   7.606  -7.643   4.245
  629    H    LEU  80           H        LEU  80   8.286  -3.350   3.286
  630    HA   LEU  80           HA       LEU  80   8.821  -2.322   0.529
  631   1HB   LEU  80          HB2       LEU  80   7.788  -0.708   2.868
  632   2HB   LEU  80          HB3       LEU  80   7.849  -0.258   1.169
  633    HG   LEU  80           HG       LEU  80   5.979  -2.279   2.464
  634   1HD1  LEU  80          HD11      LEU  80   5.421   0.389   1.113
  635   2HD1  LEU  80          HD12      LEU  80   4.230  -0.694   1.875
  636   3HD1  LEU  80          HD13      LEU  80   5.460   0.100   2.866
  637   1HD2  LEU  80          HD21      LEU  80   6.438  -3.127   0.208
  638   2HD2  LEU  80          HD22      LEU  80   4.829  -2.429   0.266
  639   3HD2  LEU  80          HD23      LEU  80   6.148  -1.504  -0.481
  640    H    GLU  81           H        GLU  81  10.155  -0.137   0.715
  641    HA   GLU  81           HA       GLU  81  12.622  -0.923   2.161
  642   1HB   GLU  81          HB2       GLU  81  12.243   1.130  -0.058
  643   2HB   GLU  81          HB3       GLU  81  13.761   0.485   0.582
  644   1HG   GLU  81          HG2       GLU  81  11.727  -0.945  -1.131
  645   2HG   GLU  81          HG3       GLU  81  13.376  -0.484  -1.528
  646    H    GLY  82           H        GLY  82   9.997   1.184   2.504
  647   1HA   GLY  82          HA2       GLY  82   9.527   2.857   3.984
  648   2HA   GLY  82          HA3       GLY  82  11.090   2.596   4.781
  649    H    HIS  83           H        HIS  83  10.955   3.189   1.285
  650    HA   HIS  83           HA       HIS  83  12.717   5.514   1.650
  651   1HB   HIS  83          HB2       HIS  83  11.748   3.885  -0.724
  652   2HB   HIS  83          HB3       HIS  83  12.533   5.443  -0.941
  653    HD1  HIS  83           HD1      HIS  83  13.791   2.830   1.661
  654    HD2  HIS  83           HD2      HIS  83  14.792   4.728  -1.974
  655    HE1  HIS  83           HE1      HIS  83  16.205   2.217   1.167
  656    H    HIS  84           H        HIS  84  12.296   7.565   0.664
  657    HA   HIS  84           HA       HIS  84   9.421   8.289   0.331
  658   1HB   HIS  84          HB2       HIS  84   9.830  10.295   1.648
  659   2HB   HIS  84          HB3       HIS  84  10.200   8.859   2.590
  660    HD1  HIS  84           HD1      HIS  84  12.033  11.770   0.815
  661    HD2  HIS  84           HD2      HIS  84  12.700   8.577   3.481
  662    HE1  HIS  84           HE1      HIS  84  14.392  12.077   1.722
  663    H    ARG  85           H        ARG  85  12.242   8.034  -1.331
  664    HA   ARG  85           HA       ARG  85  11.414   9.979  -3.322
  665   1HB   ARG  85          HB2       ARG  85  13.682  10.903  -3.594
  666   2HB   ARG  85          HB3       ARG  85  12.988  11.366  -2.049
  667   1HG   ARG  85          HG2       ARG  85  14.391   9.891  -0.812
  668   2HG   ARG  85          HG3       ARG  85  14.868   8.967  -2.239
  669   1HD   ARG  85          HD2       ARG  85  15.583  11.883  -1.782
  670   2HD   ARG  85          HD3       ARG  85  16.642  10.507  -1.405
  671    HE   ARG  85           HE       ARG  85  16.177   9.913  -3.925
  672   1HH1  ARG  85          HH11      ARG  85  17.170  13.049  -2.595
  673   2HH1  ARG  85          HH12      ARG  85  17.674  13.682  -4.119
  674   1HH2  ARG  85          HH21      ARG  85  16.576  10.796  -5.908
  675   2HH2  ARG  85          HH22      ARG  85  17.420  12.312  -6.081
  676    H    PHE  86           H        PHE  86  12.789   9.536  -5.356
  677    HA   PHE  86           HA       PHE  86  13.616   6.686  -5.453
  678   1HB   PHE  86          HB2       PHE  86  11.911   7.823  -7.173
  679   2HB   PHE  86          HB3       PHE  86  13.389   8.421  -7.898
  680    HD1  PHE  86           HD1      PHE  86  11.832   5.258  -6.574
  681    HD2  PHE  86           HD2      PHE  86  14.383   7.027  -9.517
  682    HE1  PHE  86           HE1      PHE  86  12.197   3.023  -7.580
  683    HE2  PHE  86           HE2      PHE  86  14.733   4.797 -10.569
  684    HZ   PHE  86           HZ       PHE  86  13.650   2.786  -9.576
  685    H    SER  87           H        SER  87  15.803   6.263  -6.124
  686    HA   SER  87           HA       SER  87  17.611   8.641  -6.331
  687   1HB   SER  87          HB2       SER  87  17.952   6.197  -4.548
  688   2HB   SER  87          HB3       SER  87  19.093   7.547  -4.702
  689    HG   SER  87           HG       SER  87  17.692   7.742  -2.883
  690    H    ILE  88           H        ILE  88  19.769   8.160  -7.151
  691    HA   ILE  88           HA       ILE  88  19.905   5.737  -8.875
  692    HB   ILE  88           HB       ILE  88  21.619   8.239  -9.153
  693   1HG1  ILE  88          HG12      ILE  88  19.233   7.380 -10.844
  694   2HG1  ILE  88          HG13      ILE  88  19.285   8.789  -9.766
  695   1HG2  ILE  88          HG21      ILE  88  21.188   5.845 -11.010
  696   2HG2  ILE  88          HG22      ILE  88  22.328   7.186 -11.268
  697   3HG2  ILE  88          HG23      ILE  88  22.603   6.057  -9.952
  698   1HD1  ILE  88          HD11      ILE  88  21.103   9.753 -11.209
  699   2HD1  ILE  88          HD12      ILE  88  20.812   8.424 -12.364
  700   3HD1  ILE  88          HD13      ILE  88  19.524   9.572 -12.004
  701    H    VAL  89           H        VAL  89  21.495   4.290  -8.289
  702    HA   VAL  89           HA       VAL  89  23.480   5.039  -6.216
  703    HB   VAL  89           HB       VAL  89  21.776   2.514  -6.031
  704   1HG1  VAL  89          HG11      VAL  89  23.900   2.234  -4.876
  705   2HG1  VAL  89          HG12      VAL  89  23.714   3.816  -4.072
  706   3HG1  VAL  89          HG13      VAL  89  22.639   2.459  -3.684
  707   1HG2  VAL  89          HG21      VAL  89  20.262   4.387  -5.582
  708   2HG2  VAL  89          HG22      VAL  89  20.637   3.540  -4.091
  709   3HG2  VAL  89          HG23      VAL  89  21.437   5.087  -4.444
  710    H    TYR  90           H        TYR  90  25.178   3.073  -6.159
  711    HA   TYR  90           HA       TYR  90  25.693   2.336  -9.009
  712   1HB   TYR  90          HB2       TYR  90  27.635   3.640  -7.081
  713   2HB   TYR  90          HB3       TYR  90  27.922   3.256  -8.772
  714    HD1  TYR  90           HD1      TYR  90  26.434   4.404 -10.563
  715    HD2  TYR  90           HD2      TYR  90  26.671   5.751  -6.468
  716    HE1  TYR  90           HE1      TYR  90  25.444   6.577 -11.224
  717    HE2  TYR  90           HE2      TYR  90  25.678   7.919  -7.116
  718    HH   TYR  90           HH       TYR  90  24.822   9.212  -8.856
  719    H    SER  91           H        SER  91  25.329   0.922  -6.018
  720    HA   SER  91           HA       SER  91  26.995  -1.383  -6.771
  721   1HB   SER  91          HB2       SER  91  27.093  -0.110  -3.997
  722   2HB   SER  91          HB3       SER  91  27.907  -1.592  -4.511
  723    HG   SER  91           HG       SER  91  29.316   0.240  -4.524
  Start of MODEL    4
    1   1H    MET   1          H1        MET   1  -0.896  -1.089  -0.918
    2   2H    MET   1          H2        MET   1  -1.001   0.498  -1.348
    3   3H    MET   1          H3        MET   1  -0.895  -0.665  -2.502
    4    HA   MET   1           HA       MET   1   1.205   0.384  -2.350
    5   1HB   MET   1          HB2       MET   1   0.930  -0.275   0.607
    6   2HB   MET   1          HB3       MET   1   2.507  -0.099  -0.152
    7   1HG   MET   1          HG2       MET   1   0.341   2.028  -0.120
    8   2HG   MET   1          HG3       MET   1   1.770   1.993   0.900
    9   1HE   MET   1          HE1       MET   1   4.701   2.905  -1.473
   10   2HE   MET   1          HE2       MET   1   4.176   2.571   0.186
   11   3HE   MET   1          HE3       MET   1   4.239   1.255  -1.015
   12    H    LEU   2           H        LEU   2   2.831  -0.801  -3.163
   13    HA   LEU   2           HA       LEU   2   3.162  -3.654  -2.519
   14   1HB   LEU   2          HB2       LEU   2   1.497  -3.655  -4.258
   15   2HB   LEU   2          HB3       LEU   2   2.349  -2.427  -5.185
   16    HG   LEU   2           HG       LEU   2   4.116  -4.098  -5.741
   17   1HD1  LEU   2          HD11      LEU   2   2.241  -6.165  -4.515
   18   2HD1  LEU   2          HD12      LEU   2   3.839  -6.439  -5.237
   19   3HD1  LEU   2          HD13      LEU   2   3.699  -5.595  -3.690
   20   1HD2  LEU   2          HD21      LEU   2   2.744  -5.387  -7.313
   21   2HD2  LEU   2          HD22      LEU   2   1.270  -4.921  -6.435
   22   3HD2  LEU   2          HD23      LEU   2   2.240  -3.690  -7.264
   23    H    GLN   3           H        GLN   3   5.228  -4.399  -3.761
   24    HA   GLN   3           HA       GLN   3   7.132  -2.244  -4.340
   25   1HB   GLN   3          HB2       GLN   3   7.256  -2.623  -1.900
   26   2HB   GLN   3          HB3       GLN   3   7.350  -4.358  -2.167
   27   1HG   GLN   3          HG2       GLN   3   9.606  -3.992  -3.284
   28   2HG   GLN   3          HG3       GLN   3   9.480  -2.288  -2.810
   29   1HE2  GLN   3          HE22      GLN   3  10.890  -2.057  -1.005
   30   2HE2  GLN   3          HE21      GLN   3  10.825  -3.121   0.385
   31    H    TYR   4           H        TYR   4   8.841  -3.021  -5.686
   32    HA   TYR   4           HA       TYR   4   8.974  -5.893  -6.201
   33   1HB   TYR   4          HB2       TYR   4   8.905  -5.726  -8.611
   34   2HB   TYR   4          HB3       TYR   4   7.395  -5.285  -7.878
   35    HD1  TYR   4           HD2      TYR   4  10.519  -3.239  -8.801
   36    HD2  TYR   4           HD1      TYR   4   6.284  -3.932  -9.341
   37    HE1  TYR   4           HE2      TYR   4  10.480  -1.554 -10.566
   38    HE2  TYR   4           HE1      TYR   4   6.263  -2.249 -11.142
   39    HH   TYR   4           HH       TYR   4   9.237  -0.642 -12.314
   40    H    ARG   5           H        ARG   5  10.811  -6.430  -7.596
   41    HA   ARG   5           HA       ARG   5  12.968  -4.417  -7.721
   42   1HB   ARG   5          HB2       ARG   5  13.483  -5.962  -5.802
   43   2HB   ARG   5          HB3       ARG   5  13.299  -7.326  -6.900
   44   1HG   ARG   5          HG2       ARG   5  15.221  -6.277  -8.294
   45   2HG   ARG   5          HG3       ARG   5  15.441  -5.162  -6.937
   46   1HD   ARG   5          HD2       ARG   5  17.000  -7.040  -6.792
   47   2HD   ARG   5          HD3       ARG   5  15.858  -7.100  -5.437
   48    HE   ARG   5           HE       ARG   5  14.655  -8.691  -7.328
   49   1HH1  ARG   5          HH21      ARG   5  17.886  -8.789  -5.855
   50   2HH1  ARG   5          HH22      ARG   5  18.026 -10.503  -5.983
   51   1HH2  ARG   5          HH11      ARG   5  14.799 -10.880  -7.470
   52   2HH2  ARG   5          HH12      ARG   5  16.216 -11.747  -6.948
   53    H    ILE   6           H        ILE   6  13.888  -4.502  -9.811
   54    HA   ILE   6           HA       ILE   6  13.061  -6.709 -11.600
   55    HB   ILE   6           HB       ILE   6  12.728  -3.731 -12.160
   56   1HG1  ILE   6          HG12      ILE   6  10.796  -6.078 -12.021
   57   2HG1  ILE   6          HG13      ILE   6  10.874  -4.716 -10.918
   58   1HG2  ILE   6          HG21      ILE   6  13.698  -4.862 -14.161
   59   2HG2  ILE   6          HG22      ILE   6  12.357  -6.028 -14.129
   60   3HG2  ILE   6          HG23      ILE   6  12.058  -4.311 -14.437
   61   1HD1  ILE   6          HD11      ILE   6  10.206  -3.202 -12.833
   62   2HD1  ILE   6          HD12      ILE   6   9.886  -4.677 -13.783
   63   3HD1  ILE   6          HD13      ILE   6   8.985  -4.376 -12.291
   64    H    ILE   7           H        ILE   7  14.650  -7.241 -13.067
   65    HA   ILE   7           HA       ILE   7  17.247  -5.796 -12.860
   66    HB   ILE   7           HB       ILE   7  16.913  -8.778 -13.323
   67   1HG1  ILE   7          HG12      ILE   7  16.203  -8.424 -11.023
   68   2HG1  ILE   7          HG13      ILE   7  17.732  -9.268 -11.104
   69   1HG2  ILE   7          HG21      ILE   7  19.385  -7.104 -12.740
   70   2HG2  ILE   7          HG22      ILE   7  19.328  -8.880 -12.908
   71   3HG2  ILE   7          HG23      ILE   7  18.941  -7.861 -14.286
   72   1HD1  ILE   7          HD11      ILE   7  17.685  -7.603  -9.288
   73   2HD1  ILE   7          HD12      ILE   7  18.950  -7.219 -10.466
   74   3HD1  ILE   7          HD13      ILE   7  17.427  -6.306 -10.465
   75    H    VAL   8           H        VAL   8  18.157  -5.387 -14.916
   76    HA   VAL   8           HA       VAL   8  16.577  -6.264 -17.286
   77    HB   VAL   8           HB       VAL   8  17.569  -3.418 -16.875
   78   1HG1  VAL   8          HG11      VAL   8  17.152  -4.153 -19.218
   79   2HG1  VAL   8          HG12      VAL   8  15.499  -4.622 -18.768
   80   3HG1  VAL   8          HG13      VAL   8  15.994  -2.916 -18.709
   81   1HG2  VAL   8          HG21      VAL   8  15.193  -2.761 -16.480
   82   2HG2  VAL   8          HG22      VAL   8  14.760  -4.474 -16.337
   83   3HG2  VAL   8          HG23      VAL   8  15.857  -3.717 -15.155
   84    H    ASP   9           H        ASP   9  17.777  -6.617 -19.107
   85    HA   ASP   9           HA       ASP   9  20.738  -6.336 -19.001
   86   1HB   ASP   9          HB2       ASP   9  20.071  -8.618 -18.284
   87   2HB   ASP   9          HB3       ASP   9  19.061  -8.775 -19.720
   88    H    GLY  10           H        GLY  10  21.672  -6.269 -21.100
   89   1HA   GLY  10          HA2       GLY  10  21.171  -6.469 -23.573
   90   2HA   GLY  10          HA3       GLY  10  19.820  -5.372 -23.257
   91    H    ARG  11           H        ARG  11  20.795  -3.882 -24.718
   92    HA   ARG  11           HA       ARG  11  23.287  -2.505 -23.890
   93   1HB   ARG  11          HB2       ARG  11  22.770  -2.914 -26.309
   94   2HB   ARG  11          HB3       ARG  11  21.355  -1.864 -26.155
   95   1HG   ARG  11          HG2       ARG  11  22.802   0.047 -25.601
   96   2HG   ARG  11          HG3       ARG  11  24.224  -1.002 -25.558
   97   1HD   ARG  11          HD2       ARG  11  24.125   0.252 -27.684
   98   2HD   ARG  11          HD3       ARG  11  24.036  -1.487 -27.937
   99    HE   ARG  11           HE       ARG  11  21.968  -1.267 -28.862
  100   1HH1  ARG  11          HH21      ARG  11  22.713   1.798 -27.226
  101   2HH1  ARG  11          HH22      ARG  11  21.145   2.487 -27.569
  102   1HH2  ARG  11          HH11      ARG  11  19.928  -0.228 -29.391
  103   2HH2  ARG  11          HH12      ARG  11  19.615   1.365 -28.769
  104    H    VAL  12           H        VAL  12  22.369  -2.172 -21.768
  105    HA   VAL  12           HA       VAL  12  20.463   0.119 -21.612
  106    HB   VAL  12           HB       VAL  12  19.514  -0.920 -19.606
  107   1HG1  VAL  12          HG11      VAL  12  18.184  -2.627 -20.695
  108   2HG1  VAL  12          HG12      VAL  12  18.449  -1.283 -21.812
  109   3HG1  VAL  12          HG13      VAL  12  19.364  -2.796 -22.003
  110   1HG2  VAL  12          HG21      VAL  12  19.911  -3.221 -18.976
  111   2HG2  VAL  12          HG22      VAL  12  21.079  -3.445 -20.287
  112   3HG2  VAL  12          HG23      VAL  12  21.455  -2.360 -18.936
  113    H    GLN  13           H        GLN  13  23.609  -0.443 -21.317
  114    HA   GLN  13           HA       GLN  13  23.874   1.670 -19.307
  115   1HB   GLN  13          HB2       GLN  13  25.714  -0.767 -19.323
  116   2HB   GLN  13          HB3       GLN  13  25.888   0.696 -18.344
  117   1HG   GLN  13          HG2       GLN  13  23.483   0.098 -17.460
  118   2HG   GLN  13          HG3       GLN  13  23.820  -1.507 -18.099
  119   1HE2  GLN  13          HE22      GLN  13  25.037  -2.905 -16.749
  120   2HE2  GLN  13          HE21      GLN  13  25.707  -2.384 -15.229
  121    H    GLY  14           H        GLY  14  26.025   2.788 -19.660
  122   1HA   GLY  14          HA2       GLY  14  27.384   3.945 -21.165
  123   2HA   GLY  14          HA3       GLY  14  26.925   2.834 -22.468
  124    H    VAL  15           H        VAL  15  24.282   2.873 -22.672
  125    HA   VAL  15           HA       VAL  15  23.293   5.565 -23.182
  126    HB   VAL  15           HB       VAL  15  21.071   4.386 -23.313
  127   1HG1  VAL  15          HG11      VAL  15  23.259   3.192 -25.062
  128   2HG1  VAL  15          HG12      VAL  15  21.520   3.314 -25.433
  129   3HG1  VAL  15          HG13      VAL  15  22.496   4.780 -25.297
  130   1HG2  VAL  15          HG21      VAL  15  21.000   1.933 -23.441
  131   2HG2  VAL  15          HG22      VAL  15  22.698   1.814 -22.999
  132   3HG2  VAL  15          HG23      VAL  15  21.516   2.446 -21.828
  133    H    GLY  16           H        GLY  16  21.815   6.728 -21.866
  134   1HA   GLY  16          HA2       GLY  16  22.522   6.576 -19.074
  135   2HA   GLY  16          HA3       GLY  16  21.568   7.824 -19.881
  136    H    PHE  17           H        PHE  17  20.827   4.308 -19.762
  137    HA   PHE  17           HA       PHE  17  18.104   4.729 -19.387
  138   1HB   PHE  17          HB2       PHE  17  19.101   2.640 -20.229
  139   2HB   PHE  17          HB3       PHE  17  19.770   2.320 -18.628
  140    HD1  PHE  17           HD2      PHE  17  16.303   3.404 -19.685
  141    HD2  PHE  17           HD1      PHE  17  18.743   0.391 -17.799
  142    HE1  PHE  17           HE2      PHE  17  14.277   2.158 -19.073
  143    HE2  PHE  17           HE1      PHE  17  16.704  -0.893 -17.229
  144    HZ   PHE  17           HZ       PHE  17  14.464  -0.036 -17.883
  145    H    ARG  18           H        ARG  18  20.564   4.427 -16.804
  146    HA   ARG  18           HA       ARG  18  18.731   4.139 -14.629
  147   1HB   ARG  18          HB2       ARG  18  21.483   5.431 -14.819
  148   2HB   ARG  18          HB3       ARG  18  20.607   5.293 -13.302
  149   1HG   ARG  18          HG2       ARG  18  20.909   3.056 -13.090
  150   2HG   ARG  18          HG3       ARG  18  20.747   2.725 -14.798
  151   1HD   ARG  18          HD2       ARG  18  23.210   3.700 -13.317
  152   2HD   ARG  18          HD3       ARG  18  22.983   2.124 -14.069
  153    HE   ARG  18           HE       ARG  18  24.060   4.425 -15.251
  154   1HH1  ARG  18          HH21      ARG  18  21.785   1.881 -16.215
  155   2HH1  ARG  18          HH22      ARG  18  22.046   2.058 -17.908
  156   1HH2  ARG  18          HH11      ARG  18  24.406   4.726 -17.450
  157   2HH2  ARG  18          HH12      ARG  18  23.453   3.908 -18.633
  158    H    TYR  19           H        TYR  19  19.726   7.080 -16.431
  159    HA   TYR  19           HA       TYR  19  18.307   8.859 -14.623
  160   1HB   TYR  19          HB2       TYR  19  19.256   9.315 -17.480
  161   2HB   TYR  19          HB3       TYR  19  18.667  10.541 -16.374
  162    HD1  TYR  19           HD1      TYR  19  19.956  11.042 -14.233
  163    HD2  TYR  19           HD2      TYR  19  21.561   8.599 -17.404
  164    HE1  TYR  19           HE1      TYR  19  22.233  11.341 -13.305
  165    HE2  TYR  19           HE2      TYR  19  23.840   8.884 -16.486
  166    HH   TYR  19           HH       TYR  19  25.142   9.850 -14.809
  167    H    PHE  20           H        PHE  20  17.545   7.161 -17.724
  168    HA   PHE  20           HA       PHE  20  15.020   8.356 -18.162
  169   1HB   PHE  20          HB2       PHE  20  16.222   6.840 -19.766
  170   2HB   PHE  20          HB3       PHE  20  15.806   5.465 -18.746
  171    HD1  PHE  20           HD2      PHE  20  14.336   8.176 -20.860
  172    HD2  PHE  20           HD1      PHE  20  13.672   4.414 -18.855
  173    HE1  PHE  20           HE2      PHE  20  12.163   7.926 -22.036
  174    HE2  PHE  20           HE1      PHE  20  11.521   4.151 -20.061
  175    HZ   PHE  20           HZ       PHE  20  10.755   5.912 -21.642
  176    H    VAL  21           H        VAL  21  15.847   5.353 -16.347
  177    HA   VAL  21           HA       VAL  21  13.252   4.844 -15.346
  178    HB   VAL  21           HB       VAL  21  16.011   4.145 -14.252
  179   1HG1  VAL  21          HG11      VAL  21  13.327   2.862 -13.600
  180   2HG1  VAL  21          HG12      VAL  21  14.912   2.325 -13.026
  181   3HG1  VAL  21          HG13      VAL  21  14.279   3.873 -12.483
  182   1HG2  VAL  21          HG21      VAL  21  15.552   3.217 -16.516
  183   2HG2  VAL  21          HG22      VAL  21  15.589   1.940 -15.307
  184   3HG2  VAL  21          HG23      VAL  21  14.034   2.531 -15.937
  185    H    GLN  22           H        GLN  22  15.908   6.915 -13.990
  186    HA   GLN  22           HA       GLN  22  14.648   7.484 -11.554
  187   1HB   GLN  22          HB2       GLN  22  17.039   8.160 -12.352
  188   2HB   GLN  22          HB3       GLN  22  16.291   9.508 -13.150
  189   1HG   GLN  22          HG2       GLN  22  16.944  10.428 -11.113
  190   2HG   GLN  22          HG3       GLN  22  15.229  10.093 -10.827
  191   1HE2  GLN  22          HE22      GLN  22  16.676   7.100 -10.817
  192   2HE2  GLN  22          HE21      GLN  22  16.946   6.928  -9.098
  193    H    MET  23           H        MET  23  14.323   9.195 -14.687
  194    HA   MET  23           HA       MET  23  12.539  11.182 -13.615
  195   1HB   MET  23          HB2       MET  23  13.141  10.314 -16.474
  196   2HB   MET  23          HB3       MET  23  12.221  11.762 -16.024
  197   1HG   MET  23          HG2       MET  23  14.138  12.677 -14.817
  198   2HG   MET  23          HG3       MET  23  15.075  11.216 -15.085
  199   1HE   MET  23          HE1       MET  23  17.077  13.741 -17.229
  200   2HE   MET  23          HE2       MET  23  16.290  14.027 -15.662
  201   3HE   MET  23          HE3       MET  23  17.130  12.488 -15.969
  202    H    GLU  24           H        GLU  24  12.024   8.064 -15.338
  203    HA   GLU  24           HA       GLU  24   9.191   8.387 -15.544
  204   1HB   GLU  24          HB2       GLU  24  11.004   5.947 -15.632
  205   2HB   GLU  24          HB3       GLU  24   9.261   5.855 -15.880
  206   1HG   GLU  24          HG2       GLU  24  11.150   7.547 -17.584
  207   2HG   GLU  24          HG3       GLU  24  10.544   5.955 -18.013
  208    H    ALA  25           H        ALA  25  11.239   7.163 -12.891
  209    HA   ALA  25           HA       ALA  25   9.017   6.215 -11.291
  210   1HB   ALA  25          HB1       ALA  25  10.666   6.284  -9.457
  211   2HB   ALA  25          HB2       ALA  25  11.387   5.534 -10.890
  212   3HB   ALA  25          HB3       ALA  25  11.784   7.207 -10.472
  213    H    ASP  26           H        ASP  26  10.892   9.273 -11.490
  214    HA   ASP  26           HA       ASP  26   9.684  10.567  -9.295
  215   1HB   ASP  26          HB2       ASP  26  11.794  11.310 -10.254
  216   2HB   ASP  26          HB3       ASP  26  11.003  11.719 -11.780
  217    H    LYS  27           H        LYS  27   8.837  10.790 -12.822
  218    HA   LYS  27           HA       LYS  27   6.647  12.550 -12.375
  219   1HB   LYS  27          HB2       LYS  27   6.000  12.165 -14.631
  220   2HB   LYS  27          HB3       LYS  27   7.748  12.229 -14.544
  221   1HG   LYS  27          HG2       LYS  27   7.468  10.502 -15.994
  222   2HG   LYS  27          HG3       LYS  27   7.626   9.618 -14.481
  223   1HD   LYS  27          HD2       LYS  27   5.165   9.326 -14.381
  224   2HD   LYS  27          HD3       LYS  27   4.969  10.296 -15.841
  225   1HE   LYS  27          HE2       LYS  27   6.547   7.686 -15.669
  226   2HE   LYS  27          HE3       LYS  27   4.850   7.784 -16.151
  227   1HZ   LYS  27          HZ1       LYS  27   5.499   9.111 -18.062
  228   2HZ   LYS  27          HZ2       LYS  27   7.096   9.070 -17.604
  229   3HZ   LYS  27          HZ3       LYS  27   6.388   7.718 -18.040
  230    H    ARG  28           H        ARG  28   6.928   9.264 -11.519
  231    HA   ARG  28           HA       ARG  28   3.977   9.014 -11.268
  232   1HB   ARG  28          HB2       ARG  28   5.631   7.321 -12.600
  233   2HB   ARG  28          HB3       ARG  28   5.858   6.674 -10.989
  234   1HG   ARG  28          HG2       ARG  28   4.119   5.408 -11.970
  235   2HG   ARG  28          HG3       ARG  28   3.279   6.508 -10.864
  236   1HD   ARG  28          HD2       ARG  28   2.718   8.002 -12.778
  237   2HD   ARG  28          HD3       ARG  28   3.639   6.955 -13.855
  238    HE   ARG  28           HE       ARG  28   1.951   5.384 -13.882
  239   1HH1  ARG  28          HH21      ARG  28   1.041   7.857 -11.493
  240   2HH1  ARG  28          HH22      ARG  28  -0.515   7.178 -11.211
  241   1HH2  ARG  28          HH11      ARG  28   0.016   4.458 -13.475
  242   2HH2  ARG  28          HH12      ARG  28  -1.150   5.185 -12.408
  243    H    LYS  29           H        LYS  29   6.353  10.216  -9.490
  244    HA   LYS  29           HA       LYS  29   6.956  10.383  -7.357
  245   1HB   LYS  29          HB2       LYS  29   3.972   9.985  -6.921
  246   2HB   LYS  29          HB3       LYS  29   5.099  10.714  -5.769
  247   1HG   LYS  29          HG2       LYS  29   5.633  12.506  -7.406
  248   2HG   LYS  29          HG3       LYS  29   4.451  11.819  -8.539
  249   1HD   LYS  29          HD2       LYS  29   2.648  12.159  -6.883
  250   2HD   LYS  29          HD3       LYS  29   3.823  12.856  -5.744
  251   1HE   LYS  29          HE2       LYS  29   4.353  14.641  -7.393
  252   2HE   LYS  29          HE3       LYS  29   3.181  13.950  -8.522
  253   1HZ   LYS  29          HZ1       LYS  29   2.239  15.795  -7.289
  254   2HZ   LYS  29          HZ2       LYS  29   1.437  14.431  -6.904
  255   3HZ   LYS  29          HZ3       LYS  29   2.522  15.070  -5.859
  256    H    LEU  30           H        LEU  30   7.454   7.760  -8.294
  257    HA   LEU  30           HA       LEU  30   6.809   5.910  -6.078
  258   1HB   LEU  30          HB2       LEU  30   8.623   5.689  -8.512
  259   2HB   LEU  30          HB3       LEU  30   8.427   4.409  -7.317
  260    HG   LEU  30           HG       LEU  30   6.157   5.548  -9.009
  261   1HD1  LEU  30          HD11      LEU  30   7.742   2.969  -9.248
  262   2HD1  LEU  30          HD12      LEU  30   6.276   3.370 -10.171
  263   3HD1  LEU  30          HD13      LEU  30   7.750   4.331 -10.385
  264   1HD2  LEU  30          HD21      LEU  30   6.251   3.169  -7.113
  265   2HD2  LEU  30          HD22      LEU  30   5.255   4.638  -6.940
  266   3HD2  LEU  30          HD23      LEU  30   4.931   3.499  -8.247
  267    H    ALA  31           H        ALA  31   8.744   4.782  -5.002
  268    HA   ALA  31           HA       ALA  31  11.066   6.553  -4.579
  269   1HB   ALA  31          HB1       ALA  31  10.875   6.369  -2.146
  270   2HB   ALA  31          HB2       ALA  31   9.418   7.132  -2.793
  271   3HB   ALA  31          HB3       ALA  31   9.381   5.421  -2.301
  272    H    GLY  32           H        GLY  32  12.930   5.345  -3.739
  273   1HA   GLY  32          HA2       GLY  32  13.546   2.831  -3.200
  274   2HA   GLY  32          HA3       GLY  32  12.828   2.591  -4.796
  275    H    TRP  33           H        TRP  33  14.824   1.951  -5.811
  276    HA   TRP  33           HA       TRP  33  16.512   4.222  -6.501
  277   1HB   TRP  33          HB2       TRP  33  18.621   3.074  -6.084
  278   2HB   TRP  33          HB3       TRP  33  17.740   3.374  -4.608
  279    HD1  TRP  33           HD1      TRP  33  18.536   0.380  -6.987
  280    HE1  TRP  33           HE1      TRP  33  18.736  -1.755  -5.594
  281    HE3  TRP  33           HE3      TRP  33  17.216   2.282  -2.403
  282    HZ2  TRP  33           HZ2      TRP  33  18.606  -2.482  -2.837
  283    HZ3  TRP  33           HZ3      TRP  33  17.308   0.831  -0.395
  284    HH2  TRP  33           HH2      TRP  33  18.017  -1.546  -0.588
  285    H    VAL  34           H        VAL  34  17.971   3.803  -8.275
  286    HA   VAL  34           HA       VAL  34  17.679   1.199  -9.625
  287    HB   VAL  34           HB       VAL  34  16.325   2.696 -10.961
  288   1HG1  VAL  34          HG11      VAL  34  17.178   4.678 -12.089
  289   2HG1  VAL  34          HG12      VAL  34  17.344   4.877 -10.337
  290   3HG1  VAL  34          HG13      VAL  34  18.766   4.486 -11.318
  291   1HG2  VAL  34          HG21      VAL  34  17.367   2.388 -13.131
  292   2HG2  VAL  34          HG22      VAL  34  18.965   2.215 -12.391
  293   3HG2  VAL  34          HG23      VAL  34  17.732   0.988 -12.109
  294    H    LYS  35           H        LYS  35  19.684   0.405 -10.377
  295    HA   LYS  35           HA       LYS  35  22.065   2.103 -10.028
  296   1HB   LYS  35          HB2       LYS  35  23.085   0.628  -8.401
  297   2HB   LYS  35          HB3       LYS  35  21.566   1.265  -7.772
  298   1HG   LYS  35          HG2       LYS  35  20.446  -0.908  -8.364
  299   2HG   LYS  35          HG3       LYS  35  22.016  -1.548  -8.853
  300   1HD   LYS  35          HD2       LYS  35  21.129  -0.665  -6.090
  301   2HD   LYS  35          HD3       LYS  35  21.539  -2.297  -6.604
  302   1HE   LYS  35          HE2       LYS  35  23.468   0.047  -6.375
  303   2HE   LYS  35          HE3       LYS  35  23.266  -1.230  -5.180
  304   1HZ   LYS  35          HZ1       LYS  35  24.235  -1.689  -7.958
  305   2HZ   LYS  35          HZ2       LYS  35  25.173  -1.609  -6.618
  306   3HZ   LYS  35          HZ3       LYS  35  24.087  -2.825  -6.777
  307    H    ASN  36           H        ASN  36  24.011   1.116 -10.692
  308    HA   ASN  36           HA       ASN  36  23.978  -0.835 -12.865
  309   1HB   ASN  36          HB2       ASN  36  25.782   0.799 -12.754
  310   2HB   ASN  36          HB3       ASN  36  26.115   0.408 -11.066
  311   1HD2  ASN  36          HD22      ASN  36  26.574  -0.653 -14.410
  312   2HD2  ASN  36          HD21      ASN  36  27.788  -1.868 -14.018
  313    H    ARG  37           H        ARG  37  24.397  -3.074 -12.660
  314    HA   ARG  37           HA       ARG  37  24.775  -4.151  -9.909
  315   1HB   ARG  37          HB2       ARG  37  22.600  -4.732 -11.232
  316   2HB   ARG  37          HB3       ARG  37  23.648  -5.706 -12.273
  317   1HG   ARG  37          HG2       ARG  37  24.386  -7.010 -10.263
  318   2HG   ARG  37          HG3       ARG  37  23.388  -5.963  -9.244
  319   1HD   ARG  37          HD2       ARG  37  22.066  -7.839  -9.488
  320   2HD   ARG  37          HD3       ARG  37  21.376  -6.736 -10.689
  321    HE   ARG  37           HE       ARG  37  23.244  -8.150 -12.136
  322   1HH1  ARG  37          HH11      ARG  37  20.597  -9.193  -9.985
  323   2HH1  ARG  37          HH12      ARG  37  20.326 -10.682 -10.810
  324   1HH2  ARG  37          HH22      ARG  37  22.900 -10.137 -13.206
  325   2HH2  ARG  37          HH21      ARG  37  21.633 -11.215 -12.706
  326    H    ASP  38           H        ASP  38  26.540  -5.537  -9.680
  327    HA   ASP  38           HA       ASP  38  28.768  -4.739 -11.139
  328   1HB   ASP  38          HB2       ASP  38  28.843  -5.505  -8.821
  329   2HB   ASP  38          HB3       ASP  38  28.401  -7.142  -9.314
  330    H    ASP  39           H        ASP  39  26.701  -7.525 -11.734
  331    HA   ASP  39           HA       ASP  39  28.547  -8.970 -13.429
  332   1HB   ASP  39          HB2       ASP  39  26.798 -10.475 -13.786
  333   2HB   ASP  39          HB3       ASP  39  26.547  -9.931 -12.129
  334    H    GLY  40           H        GLY  40  26.799  -6.084 -13.910
  335   1HA   GLY  40          HA2       GLY  40  27.273  -4.838 -15.902
  336   2HA   GLY  40          HA3       GLY  40  27.091  -6.303 -16.875
  337    H    ARG  41           H        ARG  41  24.613  -6.518 -14.614
  338    HA   ARG  41           HA       ARG  41  22.630  -5.523 -16.571
  339   1HB   ARG  41          HB2       ARG  41  22.544  -7.135 -13.997
  340   2HB   ARG  41          HB3       ARG  41  21.083  -6.499 -14.702
  341   1HG   ARG  41          HG2       ARG  41  21.697  -8.904 -15.284
  342   2HG   ARG  41          HG3       ARG  41  21.156  -7.819 -16.561
  343   1HD   ARG  41          HD2       ARG  41  23.475  -7.501 -17.321
  344   2HD   ARG  41          HD3       ARG  41  24.059  -8.630 -16.095
  345    HE   ARG  41           HE       ARG  41  22.804  -9.102 -18.648
  346   1HH1  ARG  41          HH11      ARG  41  23.659 -10.698 -15.575
  347   2HH1  ARG  41          HH12      ARG  41  23.229 -12.280 -16.143
  348   1HH2  ARG  41          HH21      ARG  41  22.077 -11.120 -19.326
  349   2HH2  ARG  41          HH22      ARG  41  22.395 -12.543 -18.376
  350    H    VAL  42           H        VAL  42  20.656  -4.477 -15.409
  351    HA   VAL  42           HA       VAL  42  21.574  -2.310 -13.559
  352    HB   VAL  42           HB       VAL  42  19.386  -2.278 -15.688
  353   1HG1  VAL  42          HG11      VAL  42  18.655  -0.974 -13.718
  354   2HG1  VAL  42          HG12      VAL  42  20.182  -0.069 -13.735
  355   3HG1  VAL  42          HG13      VAL  42  19.026   0.088 -15.076
  356   1HG2  VAL  42          HG21      VAL  42  20.743  -0.471 -16.713
  357   2HG2  VAL  42          HG22      VAL  42  21.981  -0.684 -15.447
  358   3HG2  VAL  42          HG23      VAL  42  21.659  -1.971 -16.622
  359    H    GLU  43           H        GLU  43  20.298  -2.108 -11.699
  360    HA   GLU  43           HA       GLU  43  18.122  -4.112 -11.284
  361   1HB   GLU  43          HB2       GLU  43  19.990  -4.771  -9.885
  362   2HB   GLU  43          HB3       GLU  43  20.246  -3.107  -9.352
  363   1HG   GLU  43          HG2       GLU  43  17.908  -3.186  -8.297
  364   2HG   GLU  43          HG3       GLU  43  17.891  -4.908  -8.644
  365    H    ILE  44           H        ILE  44  16.248  -3.217 -10.626
  366    HA   ILE  44           HA       ILE  44  16.101  -0.356  -9.822
  367    HB   ILE  44           HB       ILE  44  14.157  -2.042 -11.454
  368   1HG1  ILE  44          HG12      ILE  44  15.643   0.315 -12.644
  369   2HG1  ILE  44          HG13      ILE  44  16.387  -1.272 -12.680
  370   1HG2  ILE  44          HG21      ILE  44  14.118   0.937 -10.821
  371   2HG2  ILE  44          HG22      ILE  44  12.949   0.099 -11.856
  372   3HG2  ILE  44          HG23      ILE  44  13.028  -0.288 -10.139
  373   1HD1  ILE  44          HD11      ILE  44  13.701  -0.623 -13.867
  374   2HD1  ILE  44          HD12      ILE  44  15.220  -0.928 -14.733
  375   3HD1  ILE  44          HD13      ILE  44  14.461  -2.235 -13.787
  376    H    LEU  45           H        LEU  45  14.796  -0.107  -7.941
  377    HA   LEU  45           HA       LEU  45  13.221  -2.409  -6.955
  378   1HB   LEU  45          HB2       LEU  45  15.677  -2.396  -6.081
  379   2HB   LEU  45          HB3       LEU  45  15.221  -0.966  -5.164
  380    HG   LEU  45           HG       LEU  45  13.945  -3.737  -4.982
  381   1HD1  LEU  45          HD11      LEU  45  15.752  -2.265  -3.032
  382   2HD1  LEU  45          HD12      LEU  45  15.118  -3.916  -2.851
  383   3HD1  LEU  45          HD13      LEU  45  16.286  -3.548  -4.134
  384   1HD2  LEU  45          HD21      LEU  45  13.396  -1.207  -3.359
  385   2HD2  LEU  45          HD22      LEU  45  12.227  -2.192  -4.278
  386   3HD2  LEU  45          HD23      LEU  45  12.948  -2.840  -2.816
  387    H    ALA  46           H        ALA  46  11.237  -1.528  -6.343
  388    HA   ALA  46           HA       ALA  46  11.146   1.317  -5.549
  389   1HB   ALA  46          HB1       ALA  46   9.411   1.805  -7.235
  390   2HB   ALA  46          HB2       ALA  46  10.933   1.339  -8.015
  391   3HB   ALA  46          HB3       ALA  46   9.593   0.173  -7.916
  392    H    GLU  47           H        GLU  47   9.349   1.869  -4.395
  393    HA   GLU  47           HA       GLU  47   7.241  -0.177  -3.915
  394   1HB   GLU  47          HB2       GLU  47   7.027   0.583  -1.666
  395   2HB   GLU  47          HB3       GLU  47   8.742   0.244  -1.935
  396   1HG   GLU  47          HG2       GLU  47   8.974   2.782  -2.451
  397   2HG   GLU  47          HG3       GLU  47   7.351   2.956  -1.780
  398    H    GLY  48           H        GLY  48   5.076   0.672  -3.826
  399   1HA   GLY  48          HA2       GLY  48   4.286   3.323  -3.731
  400   2HA   GLY  48          HA3       GLY  48   4.604   3.017  -5.439
  401    HA   PRO  49           HA       PRO  49   0.180   1.643  -4.637
  402   1HB   PRO  49          HB2       PRO  49  -0.039   3.447  -7.045
  403   2HB   PRO  49          HB3       PRO  49  -1.204   3.208  -5.707
  404   1HG   PRO  49          HG2       PRO  49   0.358   5.431  -5.810
  405   2HG   PRO  49          HG3       PRO  49   0.071   4.595  -4.249
  406   1HD   PRO  49          HD2       PRO  49   2.488   4.403  -6.061
  407   2HD   PRO  49          HD3       PRO  49   2.414   4.562  -4.281
  408    H    GLU  50           H        GLU  50  -0.580  -0.086  -5.822
  409    HA   GLU  50           HA       GLU  50   1.056  -1.494  -7.549
  410   1HB   GLU  50          HB2       GLU  50  -1.992  -1.669  -7.584
  411   2HB   GLU  50          HB3       GLU  50  -0.823  -2.897  -8.075
  412   1HG   GLU  50          HG2       GLU  50  -1.510  -3.681  -6.027
  413   2HG   GLU  50          HG3       GLU  50   0.005  -2.880  -5.657
  414    H    ASN  51           H        ASN  51  -1.462   0.883  -8.475
  415    HA   ASN  51           HA       ASN  51  -1.345   0.335 -11.303
  416   1HB   ASN  51          HB2       ASN  51  -3.247   1.499 -10.230
  417   2HB   ASN  51          HB3       ASN  51  -2.194   2.851  -9.804
  418   1HD2  ASN  51          HD22      ASN  51  -3.237   4.456 -11.066
  419   2HD2  ASN  51          HD21      ASN  51  -3.387   4.357 -12.799
  420    H    ALA  52           H        ALA  52   0.312   2.714  -9.200
  421    HA   ALA  52           HA       ALA  52   1.723   4.102 -11.256
  422   1HB   ALA  52          HB1       ALA  52   3.193   4.823  -9.362
  423   2HB   ALA  52          HB2       ALA  52   1.468   5.027  -8.996
  424   3HB   ALA  52          HB3       ALA  52   2.381   3.664  -8.307
  425    H    LEU  53           H        LEU  53   2.587   1.274  -9.218
  426    HA   LEU  53           HA       LEU  53   5.171   0.910 -10.357
  427   1HB   LEU  53          HB2       LEU  53   3.230  -0.914  -8.902
  428   2HB   LEU  53          HB3       LEU  53   4.780  -1.498  -9.476
  429    HG   LEU  53           HG       LEU  53   4.479   0.864  -7.572
  430   1HD1  LEU  53          HD11      LEU  53   5.254  -0.725  -5.841
  431   2HD1  LEU  53          HD12      LEU  53   3.681  -1.164  -6.513
  432   3HD1  LEU  53          HD13      LEU  53   5.142  -2.058  -7.012
  433   1HD2  LEU  53          HD21      LEU  53   6.952  -0.770  -8.306
  434   2HD2  LEU  53          HD22      LEU  53   6.638   0.901  -8.812
  435   3HD2  LEU  53          HD23      LEU  53   6.874   0.533  -7.105
  436    H    GLN  54           H        GLN  54   1.950  -0.439 -11.381
  437    HA   GLN  54           HA       GLN  54   3.061  -2.078 -13.433
  438   1HB   GLN  54          HB2       GLN  54   0.343  -0.796 -13.043
  439   2HB   GLN  54          HB3       GLN  54   0.715  -1.747 -14.486
  440   1HG   GLN  54          HG2       GLN  54   1.146  -3.733 -13.237
  441   2HG   GLN  54          HG3       GLN  54   1.203  -2.870 -11.703
  442   1HE2  GLN  54          HE22      GLN  54  -0.745  -2.042 -10.786
  443   2HE2  GLN  54          HE21      GLN  54  -2.318  -2.716 -11.213
  444    H    SER  55           H        SER  55   1.921   1.389 -13.620
  445    HA   SER  55           HA       SER  55   2.615   1.780 -16.334
  446   1HB   SER  55          HB2       SER  55   3.066   3.795 -14.108
  447   2HB   SER  55          HB3       SER  55   2.740   4.124 -15.815
  448    HG   SER  55           HG       SER  55   0.649   3.143 -15.461
  449    H    PHE  56           H        PHE  56   4.668   1.810 -13.390
  450    HA   PHE  56           HA       PHE  56   6.973   2.738 -14.759
  451   1HB   PHE  56          HB2       PHE  56   6.484   2.966 -12.351
  452   2HB   PHE  56          HB3       PHE  56   6.771   1.246 -12.129
  453    HD1  PHE  56           HD1      PHE  56   8.673   3.919 -14.045
  454    HD2  PHE  56           HD2      PHE  56   8.672   1.100 -10.772
  455    HE1  PHE  56           HE1      PHE  56  11.037   4.464 -13.552
  456    HE2  PHE  56           HE2      PHE  56  11.033   1.661 -10.291
  457    HZ   PHE  56           HZ       PHE  56  12.199   3.366 -11.647
  458    H    VAL  57           H        VAL  57   5.757  -0.650 -14.147
  459    HA   VAL  57           HA       VAL  57   8.078  -1.860 -15.295
  460    HB   VAL  57           HB       VAL  57   5.268  -2.972 -15.641
  461   1HG1  VAL  57          HG11      VAL  57   6.488  -5.141 -15.673
  462   2HG1  VAL  57          HG12      VAL  57   7.040  -4.078 -16.968
  463   3HG1  VAL  57          HG13      VAL  57   8.032  -4.272 -15.510
  464   1HG2  VAL  57          HG21      VAL  57   5.758  -4.344 -13.586
  465   2HG2  VAL  57          HG22      VAL  57   7.147  -3.277 -13.274
  466   3HG2  VAL  57          HG23      VAL  57   5.487  -2.639 -13.265
  467    H    GLU  58           H        GLU  58   5.025  -0.595 -16.801
  468    HA   GLU  58           HA       GLU  58   5.704  -1.362 -19.430
  469   1HB   GLU  58          HB2       GLU  58   3.978   0.936 -18.438
  470   2HB   GLU  58          HB3       GLU  58   4.151   0.497 -20.140
  471   1HG   GLU  58          HG2       GLU  58   3.351  -1.801 -19.634
  472   2HG   GLU  58          HG3       GLU  58   3.102  -1.345 -17.950
  473    H    ALA  59           H        ALA  59   6.654   1.561 -17.603
  474    HA   ALA  59           HA       ALA  59   8.058   2.801 -19.746
  475   1HB   ALA  59          HB1       ALA  59   9.139   4.112 -17.977
  476   2HB   ALA  59          HB2       ALA  59   7.392   4.001 -17.697
  477   3HB   ALA  59          HB3       ALA  59   8.518   3.014 -16.737
  478    H    VAL  60           H        VAL  60   9.185   0.647 -17.066
  479    HA   VAL  60           HA       VAL  60  11.922   0.764 -17.741
  480    HB   VAL  60           HB       VAL  60  10.180  -1.076 -16.078
  481   1HG1  VAL  60          HG11      VAL  60  11.987  -2.550 -16.780
  482   2HG1  VAL  60          HG12      VAL  60  13.195  -1.319 -16.358
  483   3HG1  VAL  60          HG13      VAL  60  12.200  -2.082 -15.096
  484   1HG2  VAL  60          HG21      VAL  60  11.298   0.031 -14.211
  485   2HG2  VAL  60          HG22      VAL  60  12.419   0.860 -15.314
  486   3HG2  VAL  60          HG23      VAL  60  10.705   1.285 -15.302
  487    H    LYS  61           H        LYS  61   9.402  -1.658 -18.695
  488    HA   LYS  61           HA       LYS  61  11.284  -3.426 -19.850
  489   1HB   LYS  61          HB2       LYS  61   9.453  -4.643 -20.718
  490   2HB   LYS  61          HB3       LYS  61   8.961  -4.014 -19.145
  491   1HG   LYS  61          HG2       LYS  61   7.654  -2.219 -20.282
  492   2HG   LYS  61          HG3       LYS  61   8.155  -2.861 -21.858
  493   1HD   LYS  61          HD2       LYS  61   7.095  -5.059 -21.237
  494   2HD   LYS  61          HD3       LYS  61   6.484  -4.297 -19.752
  495   1HE   LYS  61          HE2       LYS  61   5.253  -2.625 -21.136
  496   2HE   LYS  61          HE3       LYS  61   5.893  -3.368 -22.605
  497   1HZ   LYS  61          HZ1       LYS  61   4.100  -4.726 -20.670
  498   2HZ   LYS  61          HZ2       LYS  61   3.660  -4.144 -22.127
  499   3HZ   LYS  61          HZ3       LYS  61   4.694  -5.395 -22.038
  500    H    ASN  62           H        ASN  62  10.071  -0.434 -21.138
  501    HA   ASN  62           HA       ASN  62  10.588  -0.995 -23.933
  502   1HB   ASN  62          HB2       ASN  62   9.119   0.863 -23.127
  503   2HB   ASN  62          HB3       ASN  62  10.529   1.653 -22.416
  504   1HD2  ASN  62          HD22      ASN  62  11.843   2.917 -23.719
  505   2HD2  ASN  62          HD21      ASN  62  11.552   3.157 -25.438
  506    H    GLY  63           H        GLY  63  12.617  -0.143 -21.161
  507   1HA   GLY  63          HA2       GLY  63  14.854   0.488 -21.021
  508   2HA   GLY  63          HA3       GLY  63  15.038   0.321 -22.769
  509    H    SER  64           H        SER  64  16.143   2.606 -22.165
  510    HA   SER  64           HA       SER  64  14.241   4.819 -22.432
  511   1HB   SER  64          HB2       SER  64  16.935   5.077 -23.658
  512   2HB   SER  64          HB3       SER  64  16.046   6.190 -22.613
  513    HG   SER  64           HG       SER  64  17.668   3.983 -21.989
  514    HA   PRO  65           HA       PRO  65  13.365   4.125 -26.850
  515   1HB   PRO  65          HB2       PRO  65  14.333   6.986 -27.107
  516   2HB   PRO  65          HB3       PRO  65  12.938   6.199 -27.911
  517   1HG   PRO  65          HG2       PRO  65  12.547   7.749 -25.720
  518   2HG   PRO  65          HG3       PRO  65  11.677   6.190 -25.880
  519   1HD   PRO  65          HD2       PRO  65  14.088   6.829 -24.187
  520   2HD   PRO  65          HD3       PRO  65  12.691   5.753 -23.841
  521    H    PHE  66           H        PHE  66  16.438   5.702 -25.887
  522    HA   PHE  66           HA       PHE  66  17.882   4.969 -28.271
  523   1HB   PHE  66          HB2       PHE  66  18.968   5.720 -25.530
  524   2HB   PHE  66          HB3       PHE  66  19.814   5.812 -27.065
  525    HD1  PHE  66           HD1      PHE  66  18.690   7.360 -28.922
  526    HD2  PHE  66           HD2      PHE  66  17.936   7.677 -24.680
  527    HE1  PHE  66           HE1      PHE  66  17.883   9.687 -29.232
  528    HE2  PHE  66           HE2      PHE  66  17.127   9.998 -25.002
  529    HZ   PHE  66           HZ       PHE  66  17.098  11.009 -27.276
  530    H    SER  67           H        SER  67  17.139   3.204 -25.300
  531    HA   SER  67           HA       SER  67  19.528   1.547 -25.289
  532   1HB   SER  67          HB2       SER  67  16.903   1.172 -23.802
  533   2HB   SER  67          HB3       SER  67  18.502   0.590 -23.326
  534    HG   SER  67           HG       SER  67  19.115   2.818 -23.089
  535    H    LYS  68           H        LYS  68  19.091  -0.924 -25.030
  536    HA   LYS  68           HA       LYS  68  16.721  -1.921 -26.469
  537   1HB   LYS  68          HB2       LYS  68  18.441  -1.949 -28.229
  538   2HB   LYS  68          HB3       LYS  68  19.542  -2.836 -27.163
  539   1HG   LYS  68          HG2       LYS  68  17.903  -4.730 -27.083
  540   2HG   LYS  68          HG3       LYS  68  16.821  -3.822 -28.137
  541   1HD   LYS  68          HD2       LYS  68  18.017  -5.538 -29.365
  542   2HD   LYS  68          HD3       LYS  68  18.476  -3.929 -29.957
  543   1HE   LYS  68          HE2       LYS  68  20.581  -4.052 -28.641
  544   2HE   LYS  68          HE3       LYS  68  20.095  -5.621 -27.990
  545   1HZ   LYS  68          HZ1       LYS  68  20.627  -5.058 -30.853
  546   2HZ   LYS  68          HZ2       LYS  68  21.622  -5.863 -29.846
  547   3HZ   LYS  68          HZ3       LYS  68  20.185  -6.510 -30.250
  548    H    VAL  69           H        VAL  69  15.829  -2.730 -24.601
  549    HA   VAL  69           HA       VAL  69  17.289  -4.400 -22.705
  550    HB   VAL  69           HB       VAL  69  14.303  -4.238 -23.360
  551   1HG1  VAL  69          HG11      VAL  69  14.011  -5.219 -21.067
  552   2HG1  VAL  69          HG12      VAL  69  14.791  -6.331 -22.190
  553   3HG1  VAL  69          HG13      VAL  69  15.769  -5.474 -20.986
  554   1HG2  VAL  69          HG21      VAL  69  15.084  -2.062 -22.568
  555   2HG2  VAL  69          HG22      VAL  69  14.125  -2.841 -21.313
  556   3HG2  VAL  69          HG23      VAL  69  15.895  -2.819 -21.185
  557    H    THR  70           H        THR  70  17.778  -6.575 -23.032
  558    HA   THR  70           HA       THR  70  16.482  -7.967 -25.335
  559    HB   THR  70           HB       THR  70  18.531  -9.327 -25.474
  560    HG1  THR  70           HG1      THR  70  19.494  -9.183 -23.532
  561   1HG2  THR  70          HG21      THR  70  19.150  -6.341 -25.631
  562   2HG2  THR  70          HG22      THR  70  19.975  -7.654 -26.498
  563   3HG2  THR  70          HG23      THR  70  18.288  -7.266 -26.884
  564    H    ASP  71           H        ASP  71  17.058  -7.952 -21.848
  565    HA   ASP  71           HA       ASP  71  15.059 -10.037 -21.596
  566   1HB   ASP  71          HB2       ASP  71  17.099 -11.427 -21.748
  567   2HB   ASP  71          HB3       ASP  71  17.857 -10.482 -20.470
  568    H    ILE  72           H        ILE  72  14.220 -10.100 -19.418
  569    HA   ILE  72           HA       ILE  72  15.016  -8.048 -17.513
  570    HB   ILE  72           HB       ILE  72  13.677  -6.744 -19.015
  571   1HG1  ILE  72          HG12      ILE  72  11.914  -7.405 -16.625
  572   2HG1  ILE  72          HG13      ILE  72  13.393  -6.445 -16.545
  573   1HG2  ILE  72          HG21      ILE  72  12.414  -8.544 -20.184
  574   2HG2  ILE  72          HG22      ILE  72  11.397  -8.749 -18.742
  575   3HG2  ILE  72          HG23      ILE  72  11.371  -7.236 -19.668
  576   1HD1  ILE  72          HD11      ILE  72  12.415  -4.792 -18.126
  577   2HD1  ILE  72          HD12      ILE  72  10.888  -5.712 -18.116
  578   3HD1  ILE  72          HD13      ILE  72  11.475  -4.967 -16.631
  579    H    SER  73           H        SER  73  14.247  -8.546 -15.429
  580    HA   SER  73           HA       SER  73  12.691 -11.054 -15.028
  581   1HB   SER  73          HB2       SER  73  15.369 -10.357 -13.730
  582   2HB   SER  73          HB3       SER  73  14.381 -11.787 -13.390
  583    HG   SER  73           HG       SER  73  16.085 -12.233 -14.854
  584    H    VAL  74           H        VAL  74  11.693 -11.117 -12.874
  585    HA   VAL  74           HA       VAL  74  11.477  -8.464 -11.548
  586    HB   VAL  74           HB       VAL  74   9.154 -10.162 -12.554
  587   1HG1  VAL  74          HG11      VAL  74   8.500  -8.935 -10.556
  588   2HG1  VAL  74          HG12      VAL  74   9.184  -7.430 -11.193
  589   3HG1  VAL  74          HG13      VAL  74   7.763  -8.170 -11.959
  590   1HG2  VAL  74          HG21      VAL  74   8.684  -8.255 -14.111
  591   2HG2  VAL  74          HG22      VAL  74  10.259  -7.556 -13.683
  592   3HG2  VAL  74          HG23      VAL  74  10.159  -9.128 -14.502
  593    H    THR  75           H        THR  75  10.892  -8.534  -9.406
  594    HA   THR  75           HA       THR  75  10.254 -11.091  -8.061
  595    HB   THR  75           HB       THR  75  11.977  -9.047  -6.674
  596    HG1  THR  75           HG1      THR  75  12.937  -9.659  -8.807
  597   1HG2  THR  75          HG21      THR  75  11.968 -12.088  -6.587
  598   2HG2  THR  75          HG22      THR  75  12.917 -11.009  -5.540
  599   3HG2  THR  75          HG23      THR  75  11.149 -11.007  -5.435
  600    H    GLU  76           H        GLU  76   8.661 -10.612  -6.325
  601    HA   GLU  76           HA       GLU  76   7.759  -7.770  -6.163
  602   1HB   GLU  76          HB2       GLU  76   6.023 -10.227  -6.613
  603   2HB   GLU  76          HB3       GLU  76   5.424  -8.625  -6.161
  604   1HG   GLU  76          HG2       GLU  76   6.405  -7.668  -8.237
  605   2HG   GLU  76          HG3       GLU  76   6.955  -9.277  -8.715
  606    H    SER  77           H        SER  77   6.935  -7.161  -4.172
  607    HA   SER  77           HA       SER  77   7.243  -8.984  -1.859
  608   1HB   SER  77          HB2       SER  77   8.903  -6.481  -2.408
  609   2HB   SER  77          HB3       SER  77   8.954  -7.445  -0.920
  610    HG   SER  77           HG       SER  77  10.664  -7.958  -2.332
  611    H    ARG  78           H        ARG  78   6.816  -7.658   0.199
  612    HA   ARG  78           HA       ARG  78   5.028  -5.316  -0.225
  613   1HB   ARG  78          HB2       ARG  78   4.421  -7.775   1.481
  614   2HB   ARG  78          HB3       ARG  78   3.484  -6.285   1.526
  615   1HG   ARG  78          HG2       ARG  78   3.759  -8.018  -0.961
  616   2HG   ARG  78          HG3       ARG  78   2.463  -8.152   0.225
  617   1HD   ARG  78          HD2       ARG  78   1.802  -5.799  -0.211
  618   2HD   ARG  78          HD3       ARG  78   3.054  -5.695  -1.467
  619    HE   ARG  78           HE       ARG  78   1.680  -7.914  -2.210
  620   1HH1  ARG  78          HH11      ARG  78   0.556  -4.562  -1.593
  621   2HH1  ARG  78          HH12      ARG  78  -0.915  -4.795  -2.454
  622   1HH2  ARG  78          HH21      ARG  78  -0.230  -8.127  -3.430
  623   2HH2  ARG  78          HH22      ARG  78  -1.330  -6.814  -3.585
  624    H    SER  79           H        SER  79   7.818  -5.469   0.509
  625    HA   SER  79           HA       SER  79   7.935  -5.334   3.475
  626   1HB   SER  79          HB2       SER  79  10.037  -6.276   1.488
  627   2HB   SER  79          HB3       SER  79  10.068  -6.434   3.254
  628    HG   SER  79           HG       SER  79   9.399  -8.371   2.251
  629    H    LEU  80           H        LEU  80   7.226  -3.098   2.639
  630    HA   LEU  80           HA       LEU  80   8.455  -1.414   0.961
  631   1HB   LEU  80          HB2       LEU  80   6.881  -0.962   3.491
  632   2HB   LEU  80          HB3       LEU  80   7.599   0.420   2.691
  633    HG   LEU  80           HG       LEU  80   6.392   0.009   0.632
  634   1HD1  LEU  80          HD11      LEU  80   5.145  -2.422   1.985
  635   2HD1  LEU  80          HD12      LEU  80   4.618  -1.705   0.448
  636   3HD1  LEU  80          HD13      LEU  80   6.215  -2.432   0.555
  637   1HD2  LEU  80          HD21      LEU  80   4.585  -0.132   3.084
  638   2HD2  LEU  80          HD22      LEU  80   5.328   1.335   2.411
  639   3HD2  LEU  80          HD23      LEU  80   4.112   0.453   1.478
  640    H    GLU  81           H        GLU  81   9.915   0.210   0.936
  641    HA   GLU  81           HA       GLU  81  12.337  -0.117   2.588
  642   1HB   GLU  81          HB2       GLU  81  11.625   1.774   0.292
  643   2HB   GLU  81          HB3       GLU  81  13.198   1.675   1.067
  644   1HG   GLU  81          HG2       GLU  81  11.842  -0.469  -0.618
  645   2HG   GLU  81          HG3       GLU  81  13.192   0.533  -1.089
  646    H    GLY  82           H        GLY  82   9.644   2.157   1.968
  647   1HA   GLY  82          HA2       GLY  82   9.003   4.114   2.957
  648   2HA   GLY  82          HA3       GLY  82   9.954   3.710   4.403
  649    H    HIS  83           H        HIS  83  10.981   4.044   0.967
  650    HA   HIS  83           HA       HIS  83  13.447   5.340   1.775
  651   1HB   HIS  83          HB2       HIS  83  12.835   3.737  -0.295
  652   2HB   HIS  83          HB3       HIS  83  12.509   5.261  -1.090
  653    HD1  HIS  83           HD1      HIS  83  14.661   6.139  -2.325
  654    HD2  HIS  83           HD2      HIS  83  15.425   3.656   0.994
  655    HE1  HIS  83           HE1      HIS  83  17.171   5.790  -2.255
  656    H    HIS  84           H        HIS  84  14.076   7.517   1.337
  657    HA   HIS  84           HA       HIS  84  11.987   9.406   1.787
  658   1HB   HIS  84          HB2       HIS  84  14.890   9.889   1.000
  659   2HB   HIS  84          HB3       HIS  84  13.796  11.075   1.707
  660    HD1  HIS  84           HD1      HIS  84  12.779  10.092   4.300
  661    HD2  HIS  84           HD2      HIS  84  16.467   8.782   2.741
  662    HE1  HIS  84           HE1      HIS  84  14.094   9.157   6.266
  663    H    ARG  85           H        ARG  85  13.518   8.308  -1.180
  664    HA   ARG  85           HA       ARG  85  11.801   9.890  -2.906
  665   1HB   ARG  85          HB2       ARG  85  13.786  10.906  -4.123
  666   2HB   ARG  85          HB3       ARG  85  13.435  11.624  -2.563
  667   1HG   ARG  85          HG2       ARG  85  15.288  10.572  -1.497
  668   2HG   ARG  85          HG3       ARG  85  15.545   9.455  -2.836
  669   1HD   ARG  85          HD2       ARG  85  15.887  12.474  -3.057
  670   2HD   ARG  85          HD3       ARG  85  17.203  11.344  -2.668
  671    HE   ARG  85           HE       ARG  85  16.010  10.341  -4.975
  672   1HH1  ARG  85          HH11      ARG  85  17.808  13.283  -4.142
  673   2HH1  ARG  85          HH12      ARG  85  18.410  13.522  -5.739
  674   1HH2  ARG  85          HH22      ARG  85  16.753  10.644  -7.075
  675   2HH2  ARG  85          HH21      ARG  85  17.799  11.969  -7.452
  676    H    PHE  86           H        PHE  86  12.706   9.366  -5.315
  677    HA   PHE  86           HA       PHE  86  13.642   6.551  -5.400
  678   1HB   PHE  86          HB2       PHE  86  11.782   7.465  -6.983
  679   2HB   PHE  86          HB3       PHE  86  13.075   8.331  -7.779
  680    HD1  PHE  86           HD2      PHE  86  12.078   4.868  -6.630
  681    HD2  PHE  86           HD1      PHE  86  14.269   7.233  -9.449
  682    HE1  PHE  86           HE2      PHE  86  12.751   2.801  -7.819
  683    HE2  PHE  86           HE1      PHE  86  14.927   5.164 -10.679
  684    HZ   PHE  86           HZ       PHE  86  14.177   2.946  -9.842
  685    H    SER  87           H        SER  87  15.847   6.186  -5.957
  686    HA   SER  87           HA       SER  87  17.555   8.611  -6.367
  687   1HB   SER  87          HB2       SER  87  18.062   6.205  -4.580
  688   2HB   SER  87          HB3       SER  87  19.136   7.601  -4.805
  689    HG   SER  87           HG       SER  87  17.942   7.986  -2.983
  690    H    ILE  88           H        ILE  88  19.740   8.144  -7.209
  691    HA   ILE  88           HA       ILE  88  19.896   5.670  -8.852
  692    HB   ILE  88           HB       ILE  88  21.655   8.106  -9.270
  693   1HG1  ILE  88          HG12      ILE  88  19.128   7.466 -10.838
  694   2HG1  ILE  88          HG13      ILE  88  19.332   8.838  -9.729
  695   1HG2  ILE  88          HG21      ILE  88  22.087   6.967 -11.443
  696   2HG2  ILE  88          HG22      ILE  88  22.405   5.859 -10.114
  697   3HG2  ILE  88          HG23      ILE  88  20.890   5.726 -11.035
  698   1HD1  ILE  88          HD11      ILE  88  21.166   9.693 -11.215
  699   2HD1  ILE  88          HD12      ILE  88  20.709   8.438 -12.399
  700   3HD1  ILE  88          HD13      ILE  88  19.542   9.679 -11.933
  701    H    VAL  89           H        VAL  89  21.539   4.289  -8.206
  702    HA   VAL  89           HA       VAL  89  23.372   5.176  -6.028
  703    HB   VAL  89           HB       VAL  89  21.632   2.667  -6.102
  704   1HG1  VAL  89          HG11      VAL  89  22.462   2.257  -3.800
  705   2HG1  VAL  89          HG12      VAL  89  23.748   2.142  -4.993
  706   3HG1  VAL  89          HG13      VAL  89  23.608   3.601  -3.978
  707   1HG2  VAL  89          HG21      VAL  89  20.281   4.617  -5.503
  708   2HG2  VAL  89          HG22      VAL  89  20.543   3.607  -4.085
  709   3HG2  VAL  89          HG23      VAL  89  21.480   5.105  -4.286
  710    H    TYR  90           H        TYR  90  25.348   3.933  -5.947
  711    HA   TYR  90           HA       TYR  90  26.036   2.581  -8.519
  712   1HB   TYR  90          HB2       TYR  90  27.645   4.737  -7.108
  713   2HB   TYR  90          HB3       TYR  90  28.019   3.979  -8.646
  714    HD1  TYR  90           HD2      TYR  90  26.603   4.462 -10.682
  715    HD2  TYR  90           HD1      TYR  90  26.091   6.595  -6.964
  716    HE1  TYR  90           HE2      TYR  90  25.397   6.258 -11.884
  717    HE2  TYR  90           HE1      TYR  90  24.866   8.387  -8.154
  718    HH   TYR  90           HH       TYR  90  24.355   8.341 -11.711
  719    H    SER  91           H        SER  91  25.912   2.091  -5.242
  720    HA   SER  91           HA       SER  91  28.411   1.182  -4.437
  721   1HB   SER  91          HB2       SER  91  25.729  -0.037  -3.676
  722   2HB   SER  91          HB3       SER  91  27.204   0.041  -2.700
  723    HG   SER  91           HG       SER  91  25.713   1.683  -2.092
  Start of MODEL    5
    1   1H    MET   1          H1        MET   1  -1.073  -0.494  -2.823
    2   2H    MET   1          H2        MET   1  -1.026  -0.820  -1.216
    3   3H    MET   1          H3        MET   1  -1.220   0.732  -1.743
    4    HA   MET   1           HA       MET   1   0.973   0.656  -2.782
    5   1HB   MET   1          HB2       MET   1   0.969   0.050   0.211
    6   2HB   MET   1          HB3       MET   1   2.356   0.640  -0.706
    7   1HG   MET   1          HG2       MET   1  -0.261   2.126  -0.293
    8   2HG   MET   1          HG3       MET   1   1.284   2.463   0.477
    9   1HE   MET   1          HE1       MET   1   1.043   5.018  -0.182
   10   2HE   MET   1          HE2       MET   1   0.749   5.585  -1.840
   11   3HE   MET   1          HE3       MET   1  -0.507   4.667  -0.981
   12    H    LEU   2           H        LEU   2   2.772  -0.529  -3.401
   13    HA   LEU   2           HA       LEU   2   3.105  -3.322  -2.550
   14   1HB   LEU   2          HB2       LEU   2   1.441  -3.280  -4.441
   15   2HB   LEU   2          HB3       LEU   2   2.625  -2.439  -5.437
   16    HG   LEU   2           HG       LEU   2   4.081  -4.462  -5.389
   17   1HD1  LEU   2          HD11      LEU   2   3.184  -6.599  -4.506
   18   2HD1  LEU   2          HD12      LEU   2   3.412  -5.438  -3.203
   19   3HD1  LEU   2          HD13      LEU   2   1.783  -5.742  -3.828
   20   1HD2  LEU   2          HD21      LEU   2   2.433  -4.149  -7.182
   21   2HD2  LEU   2          HD22      LEU   2   2.662  -5.862  -6.808
   22   3HD2  LEU   2          HD23      LEU   2   1.210  -5.017  -6.227
   23    H    GLN   3           H        GLN   3   5.230  -4.156  -3.554
   24    HA   GLN   3           HA       GLN   3   7.101  -2.044  -4.378
   25   1HB   GLN   3          HB2       GLN   3   7.341  -2.326  -1.967
   26   2HB   GLN   3          HB3       GLN   3   7.499  -4.061  -2.127
   27   1HG   GLN   3          HG2       GLN   3   9.539  -2.367  -3.550
   28   2HG   GLN   3          HG3       GLN   3   9.554  -2.390  -1.800
   29   1HE2  GLN   3          HE22      GLN   3  11.052  -3.818  -0.989
   30   2HE2  GLN   3          HE21      GLN   3  11.389  -5.385  -1.703
   31    H    TYR   4           H        TYR   4   8.742  -2.845  -5.776
   32    HA   TYR   4           HA       TYR   4   8.861  -5.718  -6.223
   33   1HB   TYR   4          HB2       TYR   4   8.804  -5.642  -8.628
   34   2HB   TYR   4          HB3       TYR   4   7.297  -5.125  -7.946
   35    HD1  TYR   4           HD2      TYR   4  10.452  -3.069  -8.803
   36    HD2  TYR   4           HD1      TYR   4   6.300  -3.971  -9.621
   37    HE1  TYR   4           HE2      TYR   4  10.462  -1.431 -10.605
   38    HE2  TYR   4           HE1      TYR   4   6.314  -2.287 -11.405
   39    HH   TYR   4           HH       TYR   4   9.277  -0.572 -12.429
   40    H    ARG   5           H        ARG   5  10.701  -6.273  -7.636
   41    HA   ARG   5           HA       ARG   5  12.856  -4.259  -7.762
   42   1HB   ARG   5          HB2       ARG   5  13.283  -5.841  -5.826
   43   2HB   ARG   5          HB3       ARG   5  13.209  -7.171  -6.979
   44   1HG   ARG   5          HG2       ARG   5  15.179  -6.073  -8.212
   45   2HG   ARG   5          HG3       ARG   5  15.258  -4.919  -6.868
   46   1HD   ARG   5          HD2       ARG   5  16.864  -6.684  -6.484
   47   2HD   ARG   5          HD3       ARG   5  15.584  -6.824  -5.287
   48    HE   ARG   5           HE       ARG   5  14.573  -8.602  -6.747
   49   1HH1  ARG   5          HH21      ARG   5  18.101  -8.042  -7.165
   50   2HH1  ARG   5          HH22      ARG   5  18.415  -9.730  -7.383
   51   1HH2  ARG   5          HH11      ARG   5  14.967 -10.649  -7.348
   52   2HH2  ARG   5          HH12      ARG   5  16.577 -11.253  -7.600
   53    H    ILE   6           H        ILE   6  13.867  -4.388  -9.839
   54    HA   ILE   6           HA       ILE   6  13.040  -6.598 -11.618
   55    HB   ILE   6           HB       ILE   6  12.694  -3.637 -12.252
   56   1HG1  ILE   6          HG12      ILE   6  10.776  -5.998 -12.082
   57   2HG1  ILE   6          HG13      ILE   6  10.838  -4.610 -11.003
   58   1HG2  ILE   6          HG21      ILE   6  13.682  -4.776 -14.225
   59   2HG2  ILE   6          HG22      ILE   6  12.399  -6.003 -14.163
   60   3HG2  ILE   6          HG23      ILE   6  12.025  -4.311 -14.532
   61   1HD1  ILE   6          HD11      ILE   6  10.179  -3.152 -12.956
   62   2HD1  ILE   6          HD12      ILE   6   9.860  -4.654 -13.865
   63   3HD1  ILE   6          HD13      ILE   6   8.963  -4.319 -12.375
   64    H    ILE   7           H        ILE   7  14.584  -7.125 -13.108
   65    HA   ILE   7           HA       ILE   7  17.208  -5.733 -12.945
   66    HB   ILE   7           HB       ILE   7  16.783  -8.653 -13.648
   67   1HG1  ILE   7          HG12      ILE   7  16.103  -8.515 -11.329
   68   2HG1  ILE   7          HG13      ILE   7  17.644  -9.331 -11.465
   69   1HG2  ILE   7          HG21      ILE   7  19.304  -7.102 -12.931
   70   2HG2  ILE   7          HG22      ILE   7  19.207  -8.845 -13.286
   71   3HG2  ILE   7          HG23      ILE   7  18.830  -7.671 -14.539
   72   1HD1  ILE   7          HD11      ILE   7  17.329  -6.407 -10.645
   73   2HD1  ILE   7          HD12      ILE   7  17.522  -7.769  -9.543
   74   3HD1  ILE   7          HD13      ILE   7  18.835  -7.347 -10.654
   75    H    VAL   8           H        VAL   8  18.103  -5.280 -15.019
   76    HA   VAL   8           HA       VAL   8  16.494  -6.089 -17.397
   77    HB   VAL   8           HB       VAL   8  17.480  -3.253 -16.884
   78   1HG1  VAL   8          HG11      VAL   8  16.174  -2.648 -18.825
   79   2HG1  VAL   8          HG12      VAL   8  17.206  -4.014 -19.277
   80   3HG1  VAL   8          HG13      VAL   8  15.491  -4.276 -18.947
   81   1HG2  VAL   8          HG21      VAL   8  15.080  -2.619 -16.645
   82   2HG2  VAL   8          HG22      VAL   8  14.646  -4.341 -16.583
   83   3HG2  VAL   8          HG23      VAL   8  15.651  -3.612 -15.308
   84    H    ASP   9           H        ASP   9  17.750  -6.639 -19.109
   85    HA   ASP   9           HA       ASP   9  20.701  -6.192 -19.014
   86   1HB   ASP   9          HB2       ASP   9  20.076  -8.541 -18.485
   87   2HB   ASP   9          HB3       ASP   9  19.208  -8.629 -20.019
   88    H    GLY  10           H        GLY  10  21.639  -6.055 -21.181
   89   1HA   GLY  10          HA2       GLY  10  21.101  -6.286 -23.631
   90   2HA   GLY  10          HA3       GLY  10  19.764  -5.174 -23.330
   91    H    ARG  11           H        ARG  11  20.700  -3.757 -24.867
   92    HA   ARG  11           HA       ARG  11  23.073  -2.137 -24.134
   93   1HB   ARG  11          HB2       ARG  11  22.521  -2.385 -26.510
   94   2HB   ARG  11          HB3       ARG  11  20.869  -1.857 -26.203
   95   1HG   ARG  11          HG2       ARG  11  21.730   0.407 -25.558
   96   2HG   ARG  11          HG3       ARG  11  23.364  -0.119 -25.990
   97   1HD   ARG  11          HD2       ARG  11  22.825  -0.259 -28.295
   98   2HD   ARG  11          HD3       ARG  11  21.106  -0.466 -27.977
   99    HE   ARG  11           HE       ARG  11  20.776   1.800 -27.640
  100   1HH1  ARG  11          HH21      ARG  11  24.202   1.243 -28.438
  101   2HH1  ARG  11          HH22      ARG  11  24.494   2.894 -28.845
  102   1HH2  ARG  11          HH11      ARG  11  21.137   3.882 -28.135
  103   2HH2  ARG  11          HH12      ARG  11  22.680   4.465 -28.688
  104    H    VAL  12           H        VAL  12  22.280  -1.973 -21.895
  105    HA   VAL  12           HA       VAL  12  20.132   0.068 -21.565
  106    HB   VAL  12           HB       VAL  12  19.220  -1.197 -19.704
  107   1HG1  VAL  12          HG11      VAL  12  19.399  -2.947 -22.190
  108   2HG1  VAL  12          HG12      VAL  12  18.176  -3.017 -20.935
  109   3HG1  VAL  12          HG13      VAL  12  18.294  -1.577 -21.953
  110   1HG2  VAL  12          HG21      VAL  12  21.177  -3.432 -20.377
  111   2HG2  VAL  12          HG22      VAL  12  21.239  -2.407 -18.938
  112   3HG2  VAL  12          HG23      VAL  12  19.865  -3.486 -19.186
  113    H    GLN  13           H        GLN  13  23.313  -0.189 -21.282
  114    HA   GLN  13           HA       GLN  13  23.318   1.933 -19.317
  115   1HB   GLN  13          HB2       GLN  13  25.234  -0.436 -18.988
  116   2HB   GLN  13          HB3       GLN  13  25.356   1.125 -18.166
  117   1HG   GLN  13          HG2       GLN  13  22.964   0.661 -17.293
  118   2HG   GLN  13          HG3       GLN  13  23.246  -1.015 -17.796
  119   1HE2  GLN  13          HE22      GLN  13  24.902  -2.280 -16.561
  120   2HE2  GLN  13          HE21      GLN  13  25.521  -1.646 -15.058
  121    H    GLY  14           H        GLY  14  25.489   3.104 -19.558
  122   1HA   GLY  14          HA2       GLY  14  27.073   4.091 -20.975
  123   2HA   GLY  14          HA3       GLY  14  26.724   2.890 -22.235
  124    H    VAL  15           H        VAL  15  24.079   2.983 -22.642
  125    HA   VAL  15           HA       VAL  15  23.152   5.638 -23.389
  126    HB   VAL  15           HB       VAL  15  20.909   4.496 -23.415
  127   1HG1  VAL  15          HG11      VAL  15  22.310   4.648 -25.434
  128   2HG1  VAL  15          HG12      VAL  15  23.102   3.110 -25.023
  129   3HG1  VAL  15          HG13      VAL  15  21.369   3.149 -25.405
  130   1HG2  VAL  15          HG21      VAL  15  20.738   2.074 -23.276
  131   2HG2  VAL  15          HG22      VAL  15  22.451   1.908 -22.899
  132   3HG2  VAL  15          HG23      VAL  15  21.354   2.685 -21.734
  133    H    GLY  16           H        GLY  16  21.640   6.915 -22.155
  134   1HA   GLY  16          HA2       GLY  16  22.295   7.015 -19.348
  135   2HA   GLY  16          HA3       GLY  16  21.247   8.120 -20.249
  136    H    PHE  17           H        PHE  17  20.810   4.564 -19.937
  137    HA   PHE  17           HA       PHE  17  18.020   4.900 -19.585
  138   1HB   PHE  17          HB2       PHE  17  19.047   2.887 -20.558
  139   2HB   PHE  17          HB3       PHE  17  19.774   2.516 -18.995
  140    HD1  PHE  17           HD1      PHE  17  16.278   3.535 -20.009
  141    HD2  PHE  17           HD2      PHE  17  18.772   0.588 -18.098
  142    HE1  PHE  17           HE1      PHE  17  14.268   2.275 -19.340
  143    HE2  PHE  17           HE2      PHE  17  16.756  -0.708 -17.473
  144    HZ   PHE  17           HZ       PHE  17  14.496   0.115 -18.111
  145    H    ARG  18           H        ARG  18  20.620   4.523 -17.106
  146    HA   ARG  18           HA       ARG  18  18.835   4.055 -14.928
  147   1HB   ARG  18          HB2       ARG  18  21.487   5.555 -14.860
  148   2HB   ARG  18          HB3       ARG  18  20.608   4.919 -13.464
  149   1HG   ARG  18          HG2       ARG  18  20.819   2.593 -14.509
  150   2HG   ARG  18          HG3       ARG  18  21.934   3.304 -15.685
  151   1HD   ARG  18          HD2       ARG  18  22.275   3.198 -12.661
  152   2HD   ARG  18          HD3       ARG  18  23.176   2.262 -13.845
  153    HE   ARG  18           HE       ARG  18  23.397   5.168 -13.261
  154   1HH1  ARG  18          HH21      ARG  18  24.819   2.346 -14.961
  155   2HH1  ARG  18          HH22      ARG  18  26.226   3.223 -15.435
  156   1HH2  ARG  18          HH11      ARG  18  25.252   6.289 -13.969
  157   2HH2  ARG  18          HH12      ARG  18  26.490   5.474 -14.837
  158    H    TYR  19           H        TYR  19  19.777   7.108 -16.535
  159    HA   TYR  19           HA       TYR  19  18.394   8.810 -14.641
  160   1HB   TYR  19          HB2       TYR  19  20.240   9.596 -16.075
  161   2HB   TYR  19          HB3       TYR  19  19.284   9.288 -17.514
  162    HD1  TYR  19           HD2      TYR  19  19.764  11.531 -14.622
  163    HD2  TYR  19           HD1      TYR  19  17.429  10.757 -18.172
  164    HE1  TYR  19           HE2      TYR  19  18.918  13.854 -14.566
  165    HE2  TYR  19           HE1      TYR  19  16.561  13.075 -18.112
  166    HH   TYR  19           HH       TYR  19  17.579  15.458 -15.618
  167    H    PHE  20           H        PHE  20  17.530   7.231 -17.781
  168    HA   PHE  20           HA       PHE  20  14.959   8.371 -18.066
  169   1HB   PHE  20          HB2       PHE  20  16.156   6.979 -19.777
  170   2HB   PHE  20          HB3       PHE  20  15.812   5.541 -18.820
  171    HD1  PHE  20           HD1      PHE  20  14.263   8.228 -20.877
  172    HD2  PHE  20           HD2      PHE  20  13.656   4.481 -18.825
  173    HE1  PHE  20           HE1      PHE  20  12.093   7.931 -22.046
  174    HE2  PHE  20           HE2      PHE  20  11.510   4.172 -20.026
  175    HZ   PHE  20           HZ       PHE  20  10.717   5.901 -21.628
  176    H    VAL  21           H        VAL  21  15.909   5.289 -16.441
  177    HA   VAL  21           HA       VAL  21  13.375   4.643 -15.382
  178    HB   VAL  21           HB       VAL  21  16.197   4.026 -14.403
  179   1HG1  VAL  21          HG11      VAL  21  14.553   3.619 -12.569
  180   2HG1  VAL  21          HG12      VAL  21  13.613   2.591 -13.686
  181   3HG1  VAL  21          HG13      VAL  21  15.244   2.126 -13.195
  182   1HG2  VAL  21          HG21      VAL  21  15.667   3.151 -16.680
  183   2HG2  VAL  21          HG22      VAL  21  15.842   1.847 -15.512
  184   3HG2  VAL  21          HG23      VAL  21  14.225   2.360 -16.041
  185    H    GLN  22           H        GLN  22  16.020   6.684 -13.986
  186    HA   GLN  22           HA       GLN  22  14.855   7.136 -11.499
  187   1HB   GLN  22          HB2       GLN  22  17.179   7.836 -12.260
  188   2HB   GLN  22          HB3       GLN  22  16.472   9.148 -13.152
  189   1HG   GLN  22          HG2       GLN  22  17.277  10.037 -11.091
  190   2HG   GLN  22          HG3       GLN  22  15.511  10.083 -11.030
  191   1HE2  GLN  22          HE22      GLN  22  17.224   7.021 -10.606
  192   2HE2  GLN  22          HE21      GLN  22  16.914   6.849  -8.898
  193    H    MET  23           H        MET  23  14.396   9.030 -14.522
  194    HA   MET  23           HA       MET  23  12.626  10.863 -13.154
  195   1HB   MET  23          HB2       MET  23  13.415  10.568 -16.074
  196   2HB   MET  23          HB3       MET  23  12.413  11.885 -15.434
  197   1HG   MET  23          HG2       MET  23  15.224  11.207 -14.458
  198   2HG   MET  23          HG3       MET  23  14.836  12.496 -15.599
  199   1HE   MET  23          HE1       MET  23  16.350  14.039 -13.824
  200   2HE   MET  23          HE2       MET  23  15.948  14.144 -12.099
  201   3HE   MET  23          HE3       MET  23  16.495  12.598 -12.788
  202    H    GLU  24           H        GLU  24  12.116   7.969 -15.183
  203    HA   GLU  24           HA       GLU  24   9.275   8.371 -15.415
  204   1HB   GLU  24          HB2       GLU  24  11.027   5.890 -15.580
  205   2HB   GLU  24          HB3       GLU  24   9.279   5.853 -15.813
  206   1HG   GLU  24          HG2       GLU  24  11.213   7.504 -17.503
  207   2HG   GLU  24          HG3       GLU  24  10.527   5.951 -17.955
  208    H    ALA  25           H        ALA  25  11.322   6.759 -12.895
  209    HA   ALA  25           HA       ALA  25   9.103   5.896 -11.308
  210   1HB   ALA  25          HB1       ALA  25  10.727   5.785  -9.478
  211   2HB   ALA  25          HB2       ALA  25  11.469   5.153 -10.954
  212   3HB   ALA  25          HB3       ALA  25  11.869   6.784 -10.400
  213    H    ASP  26           H        ASP  26  11.026   8.935 -11.356
  214    HA   ASP  26           HA       ASP  26   9.788  10.175  -9.155
  215   1HB   ASP  26          HB2       ASP  26  11.870  10.995 -10.130
  216   2HB   ASP  26          HB3       ASP  26  11.032  11.437 -11.621
  217    H    LYS  27           H        LYS  27   8.870  10.456 -12.684
  218    HA   LYS  27           HA       LYS  27   6.653  12.134 -12.011
  219   1HB   LYS  27          HB2       LYS  27   5.993  12.080 -14.266
  220   2HB   LYS  27          HB3       LYS  27   7.740  12.141 -14.203
  221   1HG   LYS  27          HG2       LYS  27   7.500  10.635 -15.872
  222   2HG   LYS  27          HG3       LYS  27   7.563   9.516 -14.517
  223   1HD   LYS  27          HD2       LYS  27   5.053   9.415 -14.526
  224   2HD   LYS  27          HD3       LYS  27   5.024  10.524 -15.896
  225   1HE   LYS  27          HE2       LYS  27   6.390   7.792 -15.877
  226   2HE   LYS  27          HE3       LYS  27   4.760   8.092 -16.492
  227   1HZ   LYS  27          HZ1       LYS  27   7.240   9.288 -17.597
  228   2HZ   LYS  27          HZ2       LYS  27   6.468   8.054 -18.224
  229   3HZ   LYS  27          HZ3       LYS  27   5.707   9.525 -18.195
  230    H    ARG  28           H        ARG  28   7.001   8.634 -11.997
  231    HA   ARG  28           HA       ARG  28   4.120   8.256 -11.477
  232   1HB   ARG  28          HB2       ARG  28   6.514   6.359 -11.386
  233   2HB   ARG  28          HB3       ARG  28   4.863   5.867 -11.045
  234   1HG   ARG  28          HG2       ARG  28   5.866   6.929 -13.709
  235   2HG   ARG  28          HG3       ARG  28   5.500   5.251 -13.308
  236   1HD   ARG  28          HD2       ARG  28   3.117   5.869 -12.952
  237   2HD   ARG  28          HD3       ARG  28   3.508   7.552 -13.370
  238    HE   ARG  28           HE       ARG  28   4.330   5.692 -15.425
  239   1HH1  ARG  28          HH21      ARG  28   1.488   7.422 -14.169
  240   2HH1  ARG  28          HH22      ARG  28   0.675   7.482 -15.685
  241   1HH2  ARG  28          HH11      ARG  28   3.235   5.785 -17.471
  242   2HH2  ARG  28          HH12      ARG  28   1.689   6.526 -17.589
  243    H    LYS  29           H        LYS  29   6.398   9.733  -9.662
  244    HA   LYS  29           HA       LYS  29   6.795  10.102  -7.515
  245   1HB   LYS  29          HB2       LYS  29   3.814   9.551  -7.264
  246   2HB   LYS  29          HB3       LYS  29   4.809  10.415  -6.084
  247   1HG   LYS  29          HG2       LYS  29   5.365  12.140  -7.776
  248   2HG   LYS  29          HG3       LYS  29   4.340  11.310  -8.965
  249   1HD   LYS  29          HD2       LYS  29   2.372  11.619  -7.513
  250   2HD   LYS  29          HD3       LYS  29   3.383  12.456  -6.311
  251   1HE   LYS  29          HE2       LYS  29   3.959  14.181  -8.010
  252   2HE   LYS  29          HE3       LYS  29   2.951  13.350  -9.201
  253   1HZ   LYS  29          HZ1       LYS  29   1.962  14.568  -6.686
  254   2HZ   LYS  29          HZ2       LYS  29   1.778  15.191  -8.178
  255   3HZ   LYS  29          HZ3       LYS  29   1.029  13.800  -7.787
  256    H    LEU  30           H        LEU  30   7.465   7.467  -8.276
  257    HA   LEU  30           HA       LEU  30   6.780   5.677  -6.028
  258   1HB   LEU  30          HB2       LEU  30   8.749   5.421  -8.338
  259   2HB   LEU  30          HB3       LEU  30   8.402   4.156  -7.168
  260    HG   LEU  30           HG       LEU  30   6.424   5.355  -9.155
  261   1HD1  LEU  30          HD11      LEU  30   8.099   3.891 -10.173
  262   2HD1  LEU  30          HD12      LEU  30   7.675   2.591  -9.034
  263   3HD1  LEU  30          HD13      LEU  30   6.483   3.163 -10.218
  264   1HD2  LEU  30          HD21      LEU  30   5.155   4.695  -7.189
  265   2HD2  LEU  30          HD22      LEU  30   4.905   3.503  -8.463
  266   3HD2  LEU  30          HD23      LEU  30   6.007   3.128  -7.123
  267    H    ALA  31           H        ALA  31   8.630   4.693  -4.790
  268    HA   ALA  31           HA       ALA  31  10.930   6.527  -4.388
  269   1HB   ALA  31          HB1       ALA  31  10.736   6.217  -1.945
  270   2HB   ALA  31          HB2       ALA  31   9.298   7.022  -2.595
  271   3HB   ALA  31          HB3       ALA  31   9.236   5.297  -2.166
  272    H    GLY  32           H        GLY  32  12.862   5.372  -3.594
  273   1HA   GLY  32          HA2       GLY  32  13.566   2.879  -3.092
  274   2HA   GLY  32          HA3       GLY  32  12.814   2.598  -4.660
  275    H    TRP  33           H        TRP  33  14.717   2.014  -5.795
  276    HA   TRP  33           HA       TRP  33  16.530   4.215  -6.396
  277   1HB   TRP  33          HB2       TRP  33  18.557   2.961  -5.932
  278   2HB   TRP  33          HB3       TRP  33  17.627   3.212  -4.476
  279    HD1  TRP  33           HD1      TRP  33  18.054   0.308  -7.063
  280    HE1  TRP  33           HE1      TRP  33  18.302  -1.882  -5.790
  281    HE3  TRP  33           HE3      TRP  33  17.430   2.059  -2.276
  282    HZ2  TRP  33           HZ2      TRP  33  18.371  -2.766  -3.073
  283    HZ3  TRP  33           HZ3      TRP  33  17.613   0.503  -0.359
  284    HH2  TRP  33           HH2      TRP  33  18.093  -1.911  -0.734
  285    H    VAL  34           H        VAL  34  18.029   3.760  -8.140
  286    HA   VAL  34           HA       VAL  34  17.752   1.172  -9.504
  287    HB   VAL  34           HB       VAL  34  16.449   2.581 -10.928
  288   1HG1  VAL  34          HG11      VAL  34  17.187   4.810 -10.231
  289   2HG1  VAL  34          HG12      VAL  34  18.757   4.569 -11.023
  290   3HG1  VAL  34          HG13      VAL  34  17.267   4.642 -11.990
  291   1HG2  VAL  34          HG21      VAL  34  19.197   2.378 -12.227
  292   2HG2  VAL  34          HG22      VAL  34  18.074   1.019 -12.020
  293   3HG2  VAL  34          HG23      VAL  34  17.624   2.402 -13.034
  294    H    LYS  35           H        LYS  35  19.770   0.384 -10.219
  295    HA   LYS  35           HA       LYS  35  22.133   2.123 -10.015
  296   1HB   LYS  35          HB2       LYS  35  23.307   0.554  -8.505
  297   2HB   LYS  35          HB3       LYS  35  21.960   1.380  -7.745
  298   1HG   LYS  35          HG2       LYS  35  20.576  -0.581  -7.793
  299   2HG   LYS  35          HG3       LYS  35  21.771  -1.459  -8.787
  300   1HD   LYS  35          HD2       LYS  35  23.430  -1.096  -6.867
  301   2HD   LYS  35          HD3       LYS  35  22.044  -0.544  -5.898
  302   1HE   LYS  35          HE2       LYS  35  20.915  -2.740  -6.368
  303   2HE   LYS  35          HE3       LYS  35  22.354  -3.252  -7.256
  304   1HZ   LYS  35          HZ1       LYS  35  22.192  -2.659  -4.370
  305   2HZ   LYS  35          HZ2       LYS  35  22.499  -4.100  -5.070
  306   3HZ   LYS  35          HZ3       LYS  35  23.616  -2.884  -5.156
  307    H    ASN  36           H        ASN  36  24.063   1.082 -10.756
  308    HA   ASN  36           HA       ASN  36  23.895  -0.994 -12.818
  309   1HB   ASN  36          HB2       ASN  36  25.756   0.586 -12.897
  310   2HB   ASN  36          HB3       ASN  36  26.153   0.292 -11.203
  311   1HD2  ASN  36          HD22      ASN  36  27.718  -1.283 -10.763
  312   2HD2  ASN  36          HD21      ASN  36  28.226  -2.482 -11.927
  313    H    ARG  37           H        ARG  37  23.809  -3.177 -12.354
  314    HA   ARG  37           HA       ARG  37  24.137  -4.117  -9.562
  315   1HB   ARG  37          HB2       ARG  37  22.244  -4.901 -11.133
  316   2HB   ARG  37          HB3       ARG  37  23.483  -5.735 -12.075
  317   1HG   ARG  37          HG2       ARG  37  24.093  -7.078 -10.054
  318   2HG   ARG  37          HG3       ARG  37  22.917  -6.159  -9.103
  319   1HD   ARG  37          HD2       ARG  37  21.864  -8.199  -9.605
  320   2HD   ARG  37          HD3       ARG  37  21.109  -7.009 -10.679
  321    HE   ARG  37           HE       ARG  37  23.213  -8.072 -12.157
  322   1HH1  ARG  37          HH21      ARG  37  20.399  -9.495 -10.507
  323   2HH1  ARG  37          HH22      ARG  37  20.283 -10.847 -11.573
  324   1HH2  ARG  37          HH11      ARG  37  23.092  -9.883 -13.544
  325   2HH2  ARG  37          HH12      ARG  37  21.814 -11.043 -13.370
  326    H    ASP  38           H        ASP  38  25.907  -5.565  -9.078
  327    HA   ASP  38           HA       ASP  38  28.328  -4.662 -10.037
  328   1HB   ASP  38          HB2       ASP  38  28.027  -5.740  -7.871
  329   2HB   ASP  38          HB3       ASP  38  27.692  -7.289  -8.651
  330    H    ASP  39           H        ASP  39  26.461  -7.366 -11.330
  331    HA   ASP  39           HA       ASP  39  28.638  -8.530 -12.857
  332   1HB   ASP  39          HB2       ASP  39  27.067 -10.105 -13.574
  333   2HB   ASP  39          HB3       ASP  39  26.566  -9.740 -11.922
  334    H    GLY  40           H        GLY  40  26.532  -5.820 -13.372
  335   1HA   GLY  40          HA2       GLY  40  27.162  -4.347 -15.174
  336   2HA   GLY  40          HA3       GLY  40  27.269  -5.727 -16.269
  337    H    ARG  41           H        ARG  41  24.496  -6.548 -14.613
  338    HA   ARG  41           HA       ARG  41  22.694  -5.378 -16.565
  339   1HB   ARG  41          HB2       ARG  41  22.585  -7.288 -14.235
  340   2HB   ARG  41          HB3       ARG  41  21.139  -6.358 -14.533
  341   1HG   ARG  41          HG2       ARG  41  20.843  -8.317 -15.689
  342   2HG   ARG  41          HG3       ARG  41  21.158  -7.083 -16.898
  343   1HD   ARG  41          HD2       ARG  41  23.132  -9.204 -16.025
  344   2HD   ARG  41          HD3       ARG  41  22.042  -9.294 -17.406
  345    HE   ARG  41           HE       ARG  41  23.140  -7.593 -18.552
  346   1HH1  ARG  41          HH21      ARG  41  25.020  -9.028 -15.888
  347   2HH1  ARG  41          HH22      ARG  41  26.545  -8.476 -16.503
  348   1HH2  ARG  41          HH11      ARG  41  25.120  -6.909 -19.369
  349   2HH2  ARG  41          HH12      ARG  41  26.604  -7.361 -18.613
  350    H    VAL  42           H        VAL  42  20.650  -4.306 -15.561
  351    HA   VAL  42           HA       VAL  42  21.459  -2.190 -13.597
  352    HB   VAL  42           HB       VAL  42  19.135  -2.269 -15.574
  353   1HG1  VAL  42          HG11      VAL  42  19.989  -0.050 -13.657
  354   2HG1  VAL  42          HG12      VAL  42  18.714   0.070 -14.890
  355   3HG1  VAL  42          HG13      VAL  42  18.514  -1.027 -13.524
  356   1HG2  VAL  42          HG21      VAL  42  20.309  -0.353 -16.642
  357   2HG2  VAL  42          HG22      VAL  42  21.650  -0.547 -15.496
  358   3HG2  VAL  42          HG23      VAL  42  21.288  -1.817 -16.690
  359    H    GLU  43           H        GLU  43  20.265  -2.117 -11.675
  360    HA   GLU  43           HA       GLU  43  18.096  -4.114 -11.295
  361   1HB   GLU  43          HB2       GLU  43  19.943  -5.022 -10.067
  362   2HB   GLU  43          HB3       GLU  43  20.361  -3.452  -9.370
  363   1HG   GLU  43          HG2       GLU  43  18.373  -3.416  -8.006
  364   2HG   GLU  43          HG3       GLU  43  17.673  -4.792  -8.861
  365    H    ILE  44           H        ILE  44  16.296  -3.213 -10.564
  366    HA   ILE  44           HA       ILE  44  16.205  -0.366  -9.707
  367    HB   ILE  44           HB       ILE  44  14.245  -2.018 -11.360
  368   1HG1  ILE  44          HG12      ILE  44  15.997   0.165 -12.550
  369   2HG1  ILE  44          HG13      ILE  44  16.474  -1.524 -12.592
  370   1HG2  ILE  44          HG21      ILE  44  13.134   0.131 -11.861
  371   2HG2  ILE  44          HG22      ILE  44  13.196  -0.144 -10.130
  372   3HG2  ILE  44          HG23      ILE  44  14.339   0.992 -10.879
  373   1HD1  ILE  44          HD11      ILE  44  15.428  -1.026 -14.654
  374   2HD1  ILE  44          HD12      ILE  44  14.442  -2.172 -13.713
  375   3HD1  ILE  44          HD13      ILE  44  13.956  -0.455 -13.847
  376    H    LEU  45           H        LEU  45  14.765  -0.049  -7.910
  377    HA   LEU  45           HA       LEU  45  13.087  -2.303  -7.010
  378   1HB   LEU  45          HB2       LEU  45  15.465  -2.405  -5.987
  379   2HB   LEU  45          HB3       LEU  45  15.039  -0.941  -5.107
  380    HG   LEU  45           HG       LEU  45  13.585  -3.629  -4.969
  381   1HD1  LEU  45          HD11      LEU  45  15.878  -3.641  -4.017
  382   2HD1  LEU  45          HD12      LEU  45  15.435  -2.277  -2.968
  383   3HD1  LEU  45          HD13      LEU  45  14.638  -3.855  -2.770
  384   1HD2  LEU  45          HD21      LEU  45  13.138  -1.019  -3.475
  385   2HD2  LEU  45          HD22      LEU  45  11.943  -2.017  -4.340
  386   3HD2  LEU  45          HD23      LEU  45  12.612  -2.591  -2.826
  387    H    ALA  46           H        ALA  46  11.098  -1.388  -6.465
  388    HA   ALA  46           HA       ALA  46  11.022   1.480  -5.745
  389   1HB   ALA  46          HB1       ALA  46  10.926   1.365  -8.241
  390   2HB   ALA  46          HB2       ALA  46   9.509   0.298  -8.119
  391   3HB   ALA  46          HB3       ALA  46   9.420   1.970  -7.527
  392    H    GLU  47           H        GLU  47   9.216   2.062  -4.601
  393    HA   GLU  47           HA       GLU  47   7.050   0.082  -4.174
  394   1HB   GLU  47          HB2       GLU  47   6.977   0.581  -1.867
  395   2HB   GLU  47          HB3       GLU  47   8.691   0.337  -2.216
  396   1HG   GLU  47          HG2       GLU  47   8.844   2.901  -2.487
  397   2HG   GLU  47          HG3       GLU  47   7.215   2.985  -1.816
  398    H    GLY  48           H        GLY  48   4.947   1.020  -3.799
  399   1HA   GLY  48          HA2       GLY  48   4.127   3.613  -3.485
  400   2HA   GLY  48          HA3       GLY  48   4.529   3.539  -5.205
  401    HA   PRO  49           HA       PRO  49   0.101   2.060  -4.820
  402   1HB   PRO  49          HB2       PRO  49   0.005   3.751  -7.313
  403   2HB   PRO  49          HB3       PRO  49  -1.205   3.600  -6.006
  404   1HG   PRO  49          HG2       PRO  49   0.397   5.790  -6.174
  405   2HG   PRO  49          HG3       PRO  49   0.038   5.045  -4.581
  406   1HD   PRO  49          HD2       PRO  49   2.510   4.697  -6.298
  407   2HD   PRO  49          HD3       PRO  49   2.387   4.989  -4.535
  408    H    GLU  50           H        GLU  50  -0.332   0.087  -5.799
  409    HA   GLU  50           HA       GLU  50   1.475  -1.155  -7.500
  410   1HB   GLU  50          HB2       GLU  50  -0.374  -2.832  -7.885
  411   2HB   GLU  50          HB3       GLU  50   0.118  -2.552  -6.231
  412   1HG   GLU  50          HG2       GLU  50  -2.240  -0.973  -7.241
  413   2HG   GLU  50          HG3       GLU  50  -2.440  -2.700  -6.992
  414    H    ASN  51           H        ASN  51  -1.240   0.897  -8.515
  415    HA   ASN  51           HA       ASN  51  -1.139   0.093 -11.311
  416   1HB   ASN  51          HB2       ASN  51  -3.113   1.225 -10.408
  417   2HB   ASN  51          HB3       ASN  51  -2.142   2.633  -9.955
  418   1HD2  ASN  51          HD22      ASN  51  -3.178   0.691 -12.838
  419   2HD2  ASN  51          HD21      ASN  51  -3.070   2.023 -13.954
  420    H    ALA  52           H        ALA  52   0.793   2.302  -9.307
  421    HA   ALA  52           HA       ALA  52   1.824   3.810 -11.609
  422   1HB   ALA  52          HB1       ALA  52   3.200   4.920  -9.877
  423   2HB   ALA  52          HB2       ALA  52   1.481   4.978  -9.459
  424   3HB   ALA  52          HB3       ALA  52   2.561   3.829  -8.641
  425    H    LEU  53           H        LEU  53   2.724   1.187  -9.310
  426    HA   LEU  53           HA       LEU  53   5.296   0.653 -10.375
  427   1HB   LEU  53          HB2       LEU  53   3.227  -1.082  -8.959
  428   2HB   LEU  53          HB3       LEU  53   4.689  -1.760  -9.639
  429    HG   LEU  53           HG       LEU  53   5.950   0.101  -8.351
  430   1HD1  LEU  53          HD11      LEU  53   3.422   0.029  -6.699
  431   2HD1  LEU  53          HD12      LEU  53   4.975   0.738  -6.236
  432   3HD1  LEU  53          HD13      LEU  53   4.089   1.433  -7.581
  433   1HD2  LEU  53          HD21      LEU  53   4.628  -2.200  -6.824
  434   2HD2  LEU  53          HD22      LEU  53   6.134  -2.302  -7.749
  435   3HD2  LEU  53          HD23      LEU  53   6.079  -1.310  -6.304
  436    H    GLN  54           H        GLN  54   2.088  -0.800 -11.362
  437    HA   GLN  54           HA       GLN  54   3.186  -2.374 -13.436
  438   1HB   GLN  54          HB2       GLN  54   0.460  -1.090 -13.073
  439   2HB   GLN  54          HB3       GLN  54   0.830  -2.135 -14.452
  440   1HG   GLN  54          HG2       GLN  54   1.250  -4.036 -13.077
  441   2HG   GLN  54          HG3       GLN  54   1.339  -3.075 -11.605
  442   1HE2  GLN  54          HE22      GLN  54  -0.573  -2.252 -10.650
  443   2HE2  GLN  54          HE21      GLN  54  -2.160  -2.916 -11.033
  444    H    SER  55           H        SER  55   1.981   1.014 -13.608
  445    HA   SER  55           HA       SER  55   2.542   1.428 -16.358
  446   1HB   SER  55          HB2       SER  55   2.697   3.470 -14.099
  447   2HB   SER  55          HB3       SER  55   2.416   3.777 -15.822
  448    HG   SER  55           HG       SER  55   0.700   2.495 -13.947
  449    H    PHE  56           H        PHE  56   4.680   1.693 -13.472
  450    HA   PHE  56           HA       PHE  56   6.905   2.673 -14.951
  451   1HB   PHE  56          HB2       PHE  56   6.562   3.019 -12.552
  452   2HB   PHE  56          HB3       PHE  56   6.766   1.301 -12.254
  453    HD1  PHE  56           HD1      PHE  56   8.798   3.709 -14.382
  454    HD2  PHE  56           HD2      PHE  56   8.660   1.159 -10.903
  455    HE1  PHE  56           HE1      PHE  56  11.196   4.148 -13.946
  456    HE2  PHE  56           HE2      PHE  56  11.063   1.590 -10.496
  457    HZ   PHE  56           HZ       PHE  56  12.314   3.113 -11.981
  458    H    VAL  57           H        VAL  57   5.737  -0.715 -14.287
  459    HA   VAL  57           HA       VAL  57   8.076  -1.923 -15.407
  460    HB   VAL  57           HB       VAL  57   5.267  -3.051 -15.767
  461   1HG1  VAL  57          HG11      VAL  57   8.029  -4.352 -15.624
  462   2HG1  VAL  57          HG12      VAL  57   6.485  -5.216 -15.797
  463   3HG1  VAL  57          HG13      VAL  57   7.047  -4.155 -17.088
  464   1HG2  VAL  57          HG21      VAL  57   5.759  -4.421 -13.713
  465   2HG2  VAL  57          HG22      VAL  57   7.143  -3.347 -13.401
  466   3HG2  VAL  57          HG23      VAL  57   5.480  -2.715 -13.400
  467    H    GLU  58           H        GLU  58   5.018  -0.692 -16.943
  468    HA   GLU  58           HA       GLU  58   5.725  -1.420 -19.573
  469   1HB   GLU  58          HB2       GLU  58   4.135   1.027 -18.698
  470   2HB   GLU  58          HB3       GLU  58   4.217   0.399 -20.333
  471   1HG   GLU  58          HG2       GLU  58   3.073  -1.093 -17.939
  472   2HG   GLU  58          HG3       GLU  58   2.145  -0.239 -19.162
  473    H    ALA  59           H        ALA  59   6.605   1.532 -17.718
  474    HA   ALA  59           HA       ALA  59   8.093   2.744 -19.810
  475   1HB   ALA  59          HB1       ALA  59   9.109   4.092 -18.045
  476   2HB   ALA  59          HB2       ALA  59   7.362   3.942 -17.777
  477   3HB   ALA  59          HB3       ALA  59   8.506   2.989 -16.801
  478    H    VAL  60           H        VAL  60   9.178   0.563 -17.139
  479    HA   VAL  60           HA       VAL  60  11.936   0.741 -17.773
  480    HB   VAL  60           HB       VAL  60  10.237  -1.128 -16.090
  481   1HG1  VAL  60          HG11      VAL  60  13.265  -1.203 -16.333
  482   2HG1  VAL  60          HG12      VAL  60  12.310  -2.000 -15.060
  483   3HG1  VAL  60          HG13      VAL  60  12.139  -2.521 -16.736
  484   1HG2  VAL  60          HG21      VAL  60  11.274   0.051 -14.226
  485   2HG2  VAL  60          HG22      VAL  60  12.381   0.912 -15.318
  486   3HG2  VAL  60          HG23      VAL  60  10.651   1.266 -15.343
  487    H    LYS  61           H        LYS  61   9.481  -1.787 -18.623
  488    HA   LYS  61           HA       LYS  61  11.379  -3.558 -19.749
  489   1HB   LYS  61          HB2       LYS  61   9.562  -4.814 -20.549
  490   2HB   LYS  61          HB3       LYS  61   9.028  -4.108 -19.023
  491   1HG   LYS  61          HG2       LYS  61   7.769  -2.354 -20.350
  492   2HG   LYS  61          HG3       LYS  61   8.279  -3.180 -21.835
  493   1HD   LYS  61          HD2       LYS  61   7.177  -5.298 -20.824
  494   2HD   LYS  61          HD3       LYS  61   6.434  -4.186 -19.651
  495   1HE   LYS  61          HE2       LYS  61   5.596  -2.836 -21.665
  496   2HE   LYS  61          HE3       LYS  61   6.180  -4.147 -22.697
  497   1HZ   LYS  61          HZ1       LYS  61   4.659  -5.634 -21.418
  498   2HZ   LYS  61          HZ2       LYS  61   4.078  -4.297 -20.627
  499   3HZ   LYS  61          HZ3       LYS  61   3.869  -4.457 -22.236
  500    H    ASN  62           H        ASN  62   9.887  -0.666 -21.106
  501    HA   ASN  62           HA       ASN  62  10.383  -1.188 -23.883
  502   1HB   ASN  62          HB2       ASN  62   8.876   0.629 -23.007
  503   2HB   ASN  62          HB3       ASN  62  10.298   1.494 -22.411
  504   1HD2  ASN  62          HD22      ASN  62  11.524   2.729 -23.827
  505   2HD2  ASN  62          HD21      ASN  62  11.120   2.916 -25.530
  506    H    GLY  63           H        GLY  63  12.476  -0.183 -21.214
  507   1HA   GLY  63          HA2       GLY  63  14.708   0.487 -21.184
  508   2HA   GLY  63          HA3       GLY  63  14.809   0.306 -22.937
  509    H    SER  64           H        SER  64  15.896   2.604 -22.333
  510    HA   SER  64           HA       SER  64  13.899   4.756 -22.533
  511   1HB   SER  64          HB2       SER  64  15.708   6.222 -22.969
  512   2HB   SER  64          HB3       SER  64  16.231   5.171 -21.651
  513    HG   SER  64           HG       SER  64  17.415   3.947 -23.197
  514    HA   PRO  65           HA       PRO  65  13.348   4.410 -27.061
  515   1HB   PRO  65          HB2       PRO  65  14.279   7.292 -26.907
  516   2HB   PRO  65          HB3       PRO  65  13.005   6.584 -27.953
  517   1HG   PRO  65          HG2       PRO  65  12.319   7.857 -25.661
  518   2HG   PRO  65          HG3       PRO  65  11.527   6.306 -26.091
  519   1HD   PRO  65          HD2       PRO  65  13.703   6.807 -24.071
  520   2HD   PRO  65          HD3       PRO  65  12.334   5.643 -24.015
  521    H    PHE  66           H        PHE  66  16.413   5.303 -25.526
  522    HA   PHE  66           HA       PHE  66  17.914   5.021 -28.065
  523   1HB   PHE  66          HB2       PHE  66  18.962   5.704 -25.301
  524   2HB   PHE  66          HB3       PHE  66  19.765   5.933 -26.844
  525    HD1  PHE  66           HD2      PHE  66  18.727   7.636 -28.518
  526    HD2  PHE  66           HD1      PHE  66  17.615   7.423 -24.354
  527    HE1  PHE  66           HE2      PHE  66  17.770   9.923 -28.653
  528    HE2  PHE  66           HE1      PHE  66  16.656   9.708 -24.495
  529    HZ   PHE  66           HZ       PHE  66  16.730  10.962 -26.645
  530    H    SER  67           H        SER  67  16.935   3.126 -25.330
  531    HA   SER  67           HA       SER  67  19.298   1.444 -25.127
  532   1HB   SER  67          HB2       SER  67  16.467   1.098 -24.074
  533   2HB   SER  67          HB3       SER  67  17.902   0.265 -23.475
  534    HG   SER  67           HG       SER  67  18.659   2.166 -22.637
  535    H    LYS  68           H        LYS  68  18.929  -0.978 -25.198
  536    HA   LYS  68           HA       LYS  68  16.631  -1.927 -26.736
  537   1HB   LYS  68          HB2       LYS  68  18.418  -1.858 -28.474
  538   2HB   LYS  68          HB3       LYS  68  19.427  -2.906 -27.469
  539   1HG   LYS  68          HG2       LYS  68  17.535  -4.615 -27.498
  540   2HG   LYS  68          HG3       LYS  68  16.725  -3.599 -28.693
  541   1HD   LYS  68          HD2       LYS  68  19.469  -4.910 -28.979
  542   2HD   LYS  68          HD3       LYS  68  17.959  -5.483 -29.703
  543   1HE   LYS  68          HE2       LYS  68  17.774  -3.340 -30.974
  544   2HE   LYS  68          HE3       LYS  68  19.325  -2.822 -30.297
  545   1HZ   LYS  68          HZ1       LYS  68  18.929  -5.190 -32.034
  546   2HZ   LYS  68          HZ2       LYS  68  19.597  -3.779 -32.494
  547   3HZ   LYS  68          HZ3       LYS  68  20.363  -4.717 -31.405
  548    H    VAL  69           H        VAL  69  15.809  -2.652 -24.796
  549    HA   VAL  69           HA       VAL  69  17.271  -4.272 -22.883
  550    HB   VAL  69           HB       VAL  69  14.289  -4.022 -23.514
  551   1HG1  VAL  69          HG11      VAL  69  13.945  -4.946 -21.233
  552   2HG1  VAL  69          HG12      VAL  69  14.664  -6.126 -22.325
  553   3HG1  VAL  69          HG13      VAL  69  15.685  -5.309 -21.124
  554   1HG2  VAL  69          HG21      VAL  69  15.946  -2.709 -21.317
  555   2HG2  VAL  69          HG22      VAL  69  15.257  -1.893 -22.730
  556   3HG2  VAL  69          HG23      VAL  69  14.190  -2.589 -21.508
  557    H    THR  70           H        THR  70  17.694  -6.472 -23.043
  558    HA   THR  70           HA       THR  70  16.462  -7.951 -25.328
  559    HB   THR  70           HB       THR  70  18.509  -9.343 -25.249
  560    HG1  THR  70           HG1      THR  70  20.171  -8.783 -23.970
  561   1HG2  THR  70          HG21      THR  70  19.992  -7.728 -26.343
  562   2HG2  THR  70          HG22      THR  70  18.321  -7.398 -26.830
  563   3HG2  THR  70          HG23      THR  70  19.111  -6.366 -25.621
  564    H    ASP  71           H        ASP  71  16.898  -7.848 -21.808
  565    HA   ASP  71           HA       ASP  71  14.866  -9.915 -21.541
  566   1HB   ASP  71          HB2       ASP  71  16.941 -11.288 -21.698
  567   2HB   ASP  71          HB3       ASP  71  17.670 -10.335 -20.408
  568    H    ILE  72           H        ILE  72  13.868  -9.788 -19.465
  569    HA   ILE  72           HA       ILE  72  15.044  -7.987 -17.461
  570    HB   ILE  72           HB       ILE  72  13.024  -6.852 -16.987
  571   1HG1  ILE  72          HG12      ILE  72  11.541  -8.692 -18.915
  572   2HG1  ILE  72          HG13      ILE  72  11.425  -8.726 -17.153
  573   1HG2  ILE  72          HG21      ILE  72  14.282  -6.124 -19.019
  574   2HG2  ILE  72          HG22      ILE  72  13.059  -6.945 -20.009
  575   3HG2  ILE  72          HG23      ILE  72  12.604  -5.585 -18.952
  576   1HD1  ILE  72          HD11      ILE  72   9.496  -7.592 -17.979
  577   2HD1  ILE  72          HD12      ILE  72  10.529  -6.389 -17.181
  578   3HD1  ILE  72          HD13      ILE  72  10.467  -6.488 -18.960
  579    H    SER  73           H        SER  73  14.256  -8.487 -15.255
  580    HA   SER  73           HA       SER  73  12.833 -11.057 -14.872
  581   1HB   SER  73          HB2       SER  73  15.394 -10.367 -13.380
  582   2HB   SER  73          HB3       SER  73  14.463 -11.864 -13.275
  583    HG   SER  73           HG       SER  73  15.043 -12.257 -15.483
  584    H    VAL  74           H        VAL  74  11.891 -11.134 -12.631
  585    HA   VAL  74           HA       VAL  74  11.574  -8.437 -11.423
  586    HB   VAL  74           HB       VAL  74   9.297 -10.231 -12.362
  587   1HG1  VAL  74          HG11      VAL  74   8.637  -8.892 -10.441
  588   2HG1  VAL  74          HG12      VAL  74   9.275  -7.417 -11.181
  589   3HG1  VAL  74          HG13      VAL  74   7.867  -8.244 -11.883
  590   1HG2  VAL  74          HG21      VAL  74  10.358  -7.674 -13.637
  591   2HG2  VAL  74          HG22      VAL  74  10.285  -9.293 -14.367
  592   3HG2  VAL  74          HG23      VAL  74   8.796  -8.424 -14.025
  593    H    THR  75           H        THR  75  10.973  -8.437  -9.283
  594    HA   THR  75           HA       THR  75  10.251 -10.947  -7.890
  595    HB   THR  75           HB       THR  75  11.803  -8.831  -6.412
  596    HG1  THR  75           HG1      THR  75  12.973  -9.550  -8.434
  597   1HG2  THR  75          HG21      THR  75  11.800 -11.866  -6.220
  598   2HG2  THR  75          HG22      THR  75  12.641 -10.742  -5.126
  599   3HG2  THR  75          HG23      THR  75  10.871 -10.743  -5.198
  600    H    GLU  76           H        GLU  76   8.473 -10.428  -6.359
  601    HA   GLU  76           HA       GLU  76   7.647  -7.569  -6.215
  602   1HB   GLU  76          HB2       GLU  76   5.821  -9.905  -6.926
  603   2HB   GLU  76          HB3       GLU  76   5.299  -8.263  -6.531
  604   1HG   GLU  76          HG2       GLU  76   6.583  -7.410  -8.505
  605   2HG   GLU  76          HG3       GLU  76   6.992  -9.078  -8.921
  606    H    SER  77           H        SER  77   6.806  -7.017  -4.222
  607    HA   SER  77           HA       SER  77   6.373  -9.101  -2.161
  608   1HB   SER  77          HB2       SER  77   8.482  -6.887  -2.058
  609   2HB   SER  77          HB3       SER  77   8.017  -7.921  -0.694
  610    HG   SER  77           HG       SER  77   9.910  -8.655  -1.753
  611    H    ARG  78           H        ARG  78   4.845  -8.397  -0.677
  612    HA   ARG  78           HA       ARG  78   3.823  -5.620  -0.907
  613   1HB   ARG  78          HB2       ARG  78   2.271  -7.615  -0.852
  614   2HB   ARG  78          HB3       ARG  78   2.789  -7.907   0.807
  615   1HG   ARG  78          HG2       ARG  78   2.065  -5.155   0.773
  616   2HG   ARG  78          HG3       ARG  78   0.916  -5.904  -0.327
  617   1HD   ARG  78          HD2       ARG  78  -0.030  -5.875   1.894
  618   2HD   ARG  78          HD3       ARG  78   0.334  -7.562   1.470
  619    HE   ARG  78           HE       ARG  78   2.599  -6.475   2.767
  620   1HH1  ARG  78          HH21      ARG  78  -0.744  -7.331   3.624
  621   2HH1  ARG  78          HH22      ARG  78  -0.388  -7.651   5.280
  622   1HH2  ARG  78          HH11      ARG  78   3.075  -6.895   4.956
  623   2HH2  ARG  78          HH12      ARG  78   1.846  -7.394   6.056
  624    H    SER  79           H        SER  79   6.308  -5.386  -0.214
  625    HA   SER  79           HA       SER  79   6.478  -5.075   2.741
  626   1HB   SER  79          HB2       SER  79   8.616  -6.375   1.003
  627   2HB   SER  79          HB3       SER  79   8.636  -6.158   2.761
  628    HG   SER  79           HG       SER  79   8.018  -8.274   2.196
  629    H    LEU  80           H        LEU  80   6.632  -2.911   2.851
  630    HA   LEU  80           HA       LEU  80   7.616  -1.305   0.650
  631   1HB   LEU  80          HB2       LEU  80   6.434  -0.796   3.389
  632   2HB   LEU  80          HB3       LEU  80   7.301   0.496   2.586
  633    HG   LEU  80           HG       LEU  80   5.831   0.340   0.604
  634   1HD1  LEU  80          HD11      LEU  80   3.700  -0.943   0.737
  635   2HD1  LEU  80          HD12      LEU  80   5.113  -1.987   0.629
  636   3HD1  LEU  80          HD13      LEU  80   4.299  -1.759   2.197
  637   1HD2  LEU  80          HD21      LEU  80   3.833   1.306   1.657
  638   2HD2  LEU  80          HD22      LEU  80   4.317   0.639   3.232
  639   3HD2  LEU  80          HD23      LEU  80   5.303   1.891   2.446
  640    H    GLU  81           H        GLU  81   9.342   0.139   0.696
  641    HA   GLU  81           HA       GLU  81  11.725  -0.664   2.278
  642   1HB   GLU  81          HB2       GLU  81  11.490   1.326  -0.023
  643   2HB   GLU  81          HB3       GLU  81  12.967   0.753   0.742
  644   1HG   GLU  81          HG2       GLU  81  11.079  -0.849  -1.002
  645   2HG   GLU  81          HG3       GLU  81  12.690  -0.281  -1.395
  646    H    GLY  82           H        GLY  82   9.209   1.758   2.056
  647   1HA   GLY  82          HA2       GLY  82   8.674   3.508   3.402
  648   2HA   GLY  82          HA3       GLY  82   9.870   2.943   4.582
  649    H    HIS  83           H        HIS  83  10.696   3.811   1.218
  650    HA   HIS  83           HA       HIS  83  12.645   5.820   2.133
  651   1HB   HIS  83          HB2       HIS  83  11.867   4.626  -0.561
  652   2HB   HIS  83          HB3       HIS  83  12.957   5.991  -0.414
  653    HD1  HIS  83           HD1      HIS  83  13.272   3.026   2.059
  654    HD2  HIS  83           HD2      HIS  83  15.052   4.710  -1.376
  655    HE1  HIS  83           HE1      HIS  83  15.516   1.868   1.768
  656    H    HIS  84           H        HIS  84  12.599   7.977   1.011
  657    HA   HIS  84           HA       HIS  84   9.831   9.015   0.561
  658   1HB   HIS  84          HB2       HIS  84  12.090  10.306   2.142
  659   2HB   HIS  84          HB3       HIS  84  10.555  11.073   1.752
  660    HD1  HIS  84           HD1      HIS  84   9.266   7.878   2.638
  661    HD2  HIS  84           HD2      HIS  84  11.198  10.978   4.731
  662    HE1  HIS  84           HE1      HIS  84   8.587   7.624   5.082
  663    H    ARG  85           H        ARG  85  12.352   8.216  -1.184
  664    HA   ARG  85           HA       ARG  85  11.967  10.333  -3.130
  665   1HB   ARG  85          HB2       ARG  85  14.314  10.843  -3.436
  666   2HB   ARG  85          HB3       ARG  85  13.920  11.172  -1.750
  667   1HG   ARG  85          HG2       ARG  85  14.941   8.994  -1.083
  668   2HG   ARG  85          HG3       ARG  85  15.283   8.637  -2.780
  669   1HD   ARG  85          HD2       ARG  85  16.667  10.781  -2.836
  670   2HD   ARG  85          HD3       ARG  85  16.528  10.781  -1.061
  671    HE   ARG  85           HE       ARG  85  17.399   8.277  -2.366
  672   1HH1  ARG  85          HH11      ARG  85  18.559  11.256  -0.809
  673   2HH1  ARG  85          HH12      ARG  85  20.104  10.603  -0.405
  674   1HH2  ARG  85          HH21      ARG  85  19.383   7.397  -1.783
  675   2HH2  ARG  85          HH22      ARG  85  20.596   8.344  -0.998
  676    H    PHE  86           H        PHE  86  13.011   9.586  -5.222
  677    HA   PHE  86           HA       PHE  86  13.627   6.681  -5.261
  678   1HB   PHE  86          HB2       PHE  86  12.003   7.809  -7.025
  679   2HB   PHE  86          HB3       PHE  86  13.495   8.388  -7.739
  680    HD1  PHE  86           HD1      PHE  86  11.928   5.240  -6.384
  681    HD2  PHE  86           HD2      PHE  86  14.433   6.978  -9.379
  682    HE1  PHE  86           HE1      PHE  86  12.272   2.998  -7.375
  683    HE2  PHE  86           HE2      PHE  86  14.773   4.738 -10.412
  684    HZ   PHE  86           HZ       PHE  86  13.694   2.737  -9.395
  685    H    SER  87           H        SER  87  15.778   6.134  -6.012
  686    HA   SER  87           HA       SER  87  17.774   8.360  -5.807
  687   1HB   SER  87          HB2       SER  87  18.170   5.542  -4.774
  688   2HB   SER  87          HB3       SER  87  19.041   7.014  -4.338
  689    HG   SER  87           HG       SER  87  16.422   6.188  -3.640
  690    H    ILE  88           H        ILE  88  19.744   8.090  -6.977
  691    HA   ILE  88           HA       ILE  88  19.968   5.671  -8.706
  692    HB   ILE  88           HB       ILE  88  21.619   8.219  -8.999
  693   1HG1  ILE  88          HG12      ILE  88  19.279   7.297 -10.717
  694   2HG1  ILE  88          HG13      ILE  88  19.299   8.729  -9.668
  695   1HG2  ILE  88          HG21      ILE  88  22.411   7.156 -11.060
  696   2HG2  ILE  88          HG22      ILE  88  22.635   6.018  -9.741
  697   3HG2  ILE  88          HG23      ILE  88  21.264   5.815 -10.857
  698   1HD1  ILE  88          HD11      ILE  88  19.559   9.451 -11.936
  699   2HD1  ILE  88          HD12      ILE  88  21.110   9.696 -11.105
  700   3HD1  ILE  88          HD13      ILE  88  20.884   8.330 -12.230
  701    H    VAL  89           H        VAL  89  21.566   4.263  -7.954
  702    HA   VAL  89           HA       VAL  89  23.458   5.234  -5.909
  703    HB   VAL  89           HB       VAL  89  21.199   4.469  -4.922
  704   1HG1  VAL  89          HG11      VAL  89  22.277   1.697  -5.412
  705   2HG1  VAL  89          HG12      VAL  89  20.865   2.143  -4.439
  706   3HG1  VAL  89          HG13      VAL  89  20.839   2.434  -6.180
  707   1HG2  VAL  89          HG21      VAL  89  22.218   3.577  -2.937
  708   2HG2  VAL  89          HG22      VAL  89  23.705   3.174  -3.805
  709   3HG2  VAL  89          HG23      VAL  89  23.228   4.873  -3.588
  710    H    TYR  90           H        TYR  90  24.921   3.166  -5.288
  711    HA   TYR  90           HA       TYR  90  25.571   1.653  -7.764
  712   1HB   TYR  90          HB2       TYR  90  27.550   3.359  -6.202
  713   2HB   TYR  90          HB3       TYR  90  27.883   2.429  -7.653
  714    HD1  TYR  90           HD1      TYR  90  26.893   3.137  -9.874
  715    HD2  TYR  90           HD2      TYR  90  26.614   5.587  -6.332
  716    HE1  TYR  90           HE1      TYR  90  26.308   5.087 -11.279
  717    HE2  TYR  90           HE2      TYR  90  26.011   7.543  -7.726
  718    HH   TYR  90           HH       TYR  90  25.769   7.363 -11.307
  719    H    SER  91           H        SER  91  24.773   1.259  -4.635
  720    HA   SER  91           HA       SER  91  26.886   0.081  -3.301
  721   1HB   SER  91          HB2       SER  91  23.955  -0.681  -3.046
  722   2HB   SER  91          HB3       SER  91  25.212  -0.790  -1.804
  723    HG   SER  91           HG       SER  91  23.954   1.107  -1.533
  Start of MODEL    6
    1   1H    MET   1          H1        MET   1   0.041  -0.663   0.309
    2   2H    MET   1          H2        MET   1  -0.566   0.695  -0.395
    3   3H    MET   1          H3        MET   1  -0.792  -0.773  -1.087
    4    HA   MET   1           HA       MET   1   0.891   0.432  -2.286
    5   1HB   MET   1          HB2       MET   1   2.401   0.356   0.368
    6   2HB   MET   1          HB3       MET   1   3.091   0.813  -1.188
    7   1HG   MET   1          HG2       MET   1   0.910   2.301   0.307
    8   2HG   MET   1          HG3       MET   1   2.584   2.788   0.082
    9   1HE   MET   1          HE1       MET   1   0.198   4.759  -0.478
   10   2HE   MET   1          HE2       MET   1   1.907   5.178  -0.741
   11   3HE   MET   1          HE3       MET   1   0.710   5.485  -2.018
   12    H    LEU   2           H        LEU   2   2.848  -0.658  -3.163
   13    HA   LEU   2           HA       LEU   2   3.246  -3.465  -2.328
   14   1HB   LEU   2          HB2       LEU   2   1.475  -3.385  -4.085
   15   2HB   LEU   2          HB3       LEU   2   2.560  -2.500  -5.139
   16    HG   LEU   2           HG       LEU   2   4.033  -4.481  -5.327
   17   1HD1  LEU   2          HD11      LEU   2   3.306  -6.667  -4.409
   18   2HD1  LEU   2          HD12      LEU   2   3.671  -5.535  -3.110
   19   3HD1  LEU   2          HD13      LEU   2   1.980  -5.865  -3.538
   20   1HD2  LEU   2          HD21      LEU   2   2.222  -4.177  -6.916
   21   2HD2  LEU   2          HD22      LEU   2   2.485  -5.898  -6.596
   22   3HD2  LEU   2          HD23      LEU   2   1.102  -5.058  -5.857
   23    H    GLN   3           H        GLN   3   5.251  -4.285  -3.723
   24    HA   GLN   3           HA       GLN   3   7.203  -2.199  -4.348
   25   1HB   GLN   3          HB2       GLN   3   7.488  -2.426  -1.967
   26   2HB   GLN   3          HB3       GLN   3   7.246  -4.153  -2.052
   27   1HG   GLN   3          HG2       GLN   3   9.554  -4.244  -3.275
   28   2HG   GLN   3          HG3       GLN   3   9.744  -2.579  -2.713
   29   1HE2  GLN   3          HE22      GLN   3  11.428  -3.008  -0.988
   30   2HE2  GLN   3          HE21      GLN   3  10.973  -3.987   0.372
   31    H    TYR   4           H        TYR   4   8.918  -3.080  -5.655
   32    HA   TYR   4           HA       TYR   4   9.084  -5.952  -5.958
   33   1HB   TYR   4          HB2       TYR   4   9.088  -5.944  -8.439
   34   2HB   TYR   4          HB3       TYR   4   7.537  -5.713  -7.690
   35    HD1  TYR   4           HD2      TYR   4  10.207  -3.124  -8.609
   36    HD2  TYR   4           HD1      TYR   4   6.228  -4.694  -9.254
   37    HE1  TYR   4           HE2      TYR   4   9.761  -1.324 -10.215
   38    HE2  TYR   4           HE1      TYR   4   5.802  -2.915 -10.893
   39    HH   TYR   4           HH       TYR   4   6.631  -1.008 -11.938
   40    H    ARG   5           H        ARG   5  10.964  -6.555  -7.294
   41    HA   ARG   5           HA       ARG   5  13.060  -4.476  -7.550
   42   1HB   ARG   5          HB2       ARG   5  13.350  -6.052  -5.532
   43   2HB   ARG   5          HB3       ARG   5  13.590  -7.356  -6.695
   44   1HG   ARG   5          HG2       ARG   5  15.613  -6.223  -7.575
   45   2HG   ARG   5          HG3       ARG   5  15.283  -4.810  -6.547
   46   1HD   ARG   5          HD2       ARG   5  15.374  -6.363  -4.528
   47   2HD   ARG   5          HD3       ARG   5  15.942  -7.638  -5.623
   48    HE   ARG   5           HE       ARG   5  17.530  -5.189  -5.763
   49   1HH1  ARG   5          HH21      ARG   5  17.061  -8.077  -3.731
   50   2HH1  ARG   5          HH22      ARG   5  18.681  -8.070  -3.141
   51   1HH2  ARG   5          HH11      ARG   5  19.617  -5.264  -5.149
   52   2HH2  ARG   5          HH12      ARG   5  20.200  -6.385  -3.932
   53    H    ILE   6           H        ILE   6  14.095  -4.653  -9.564
   54    HA   ILE   6           HA       ILE   6  13.157  -6.755 -11.419
   55    HB   ILE   6           HB       ILE   6  12.955  -3.735 -11.792
   56   1HG1  ILE   6          HG12      ILE   6  10.922  -5.976 -11.700
   57   2HG1  ILE   6          HG13      ILE   6  11.079  -4.632 -10.580
   58   1HG2  ILE   6          HG21      ILE   6  12.423  -5.844 -13.923
   59   2HG2  ILE   6          HG22      ILE   6  12.225  -4.091 -14.087
   60   3HG2  ILE   6          HG23      ILE   6  13.829  -4.759 -13.889
   61   1HD1  ILE   6          HD11      ILE   6   9.156  -4.259 -11.939
   62   2HD1  ILE   6          HD12      ILE   6  10.385  -3.064 -12.413
   63   3HD1  ILE   6          HD13      ILE   6  10.057  -4.487 -13.438
   64    H    ILE   7           H        ILE   7  14.690  -7.234 -13.018
   65    HA   ILE   7           HA       ILE   7  17.288  -5.797 -12.870
   66    HB   ILE   7           HB       ILE   7  17.201  -8.691 -13.680
   67   1HG1  ILE   7          HG12      ILE   7  16.167  -8.852 -11.458
   68   2HG1  ILE   7          HG13      ILE   7  17.763  -9.559 -11.512
   69   1HG2  ILE   7          HG21      ILE   7  19.356  -6.938 -12.465
   70   2HG2  ILE   7          HG22      ILE   7  19.538  -8.652 -12.905
   71   3HG2  ILE   7          HG23      ILE   7  19.193  -7.447 -14.155
   72   1HD1  ILE   7          HD11      ILE   7  17.413  -8.358  -9.416
   73   2HD1  ILE   7          HD12      ILE   7  18.714  -7.590 -10.341
   74   3HD1  ILE   7          HD13      ILE   7  17.103  -6.852 -10.281
   75    H    VAL   8           H        VAL   8  18.120  -5.342 -14.974
   76    HA   VAL   8           HA       VAL   8  16.466  -6.213 -17.293
   77    HB   VAL   8           HB       VAL   8  17.438  -3.352 -16.963
   78   1HG1  VAL   8          HG11      VAL   8  15.222  -4.587 -18.663
   79   2HG1  VAL   8          HG12      VAL   8  15.784  -2.900 -18.714
   80   3HG1  VAL   8          HG13      VAL   8  16.854  -4.209 -19.241
   81   1HG2  VAL   8          HG21      VAL   8  14.674  -4.384 -16.201
   82   2HG2  VAL   8          HG22      VAL   8  15.860  -3.616 -15.116
   83   3HG2  VAL   8          HG23      VAL   8  15.119  -2.677 -16.411
   84    H    ASP   9           H        ASP   9  17.691  -6.760 -19.027
   85    HA   ASP   9           HA       ASP   9  20.658  -6.463 -18.855
   86   1HB   ASP   9          HB2       ASP   9  19.795  -8.769 -18.489
   87   2HB   ASP   9          HB3       ASP   9  18.990  -8.686 -20.053
   88    H    GLY  10           H        GLY  10  21.685  -6.207 -20.993
   89   1HA   GLY  10          HA2       GLY  10  21.275  -6.373 -23.445
   90   2HA   GLY  10          HA3       GLY  10  19.883  -5.322 -23.208
   91    H    ARG  11           H        ARG  11  20.792  -3.817 -24.690
   92    HA   ARG  11           HA       ARG  11  23.148  -2.228 -23.832
   93   1HB   ARG  11          HB2       ARG  11  22.680  -2.432 -26.268
   94   2HB   ARG  11          HB3       ARG  11  21.098  -1.677 -26.029
   95   1HG   ARG  11          HG2       ARG  11  22.253   0.383 -25.139
   96   2HG   ARG  11          HG3       ARG  11  23.806  -0.411 -25.407
   97   1HD   ARG  11          HD2       ARG  11  23.430   1.100 -27.213
   98   2HD   ARG  11          HD3       ARG  11  23.287  -0.530 -27.852
   99    HE   ARG  11           HE       ARG  11  21.056   1.400 -27.279
  100   1HH1  ARG  11          HH11      ARG  11  22.156  -1.474 -29.077
  101   2HH1  ARG  11          HH12      ARG  11  20.788  -1.487 -30.124
  102   1HH2  ARG  11          HH21      ARG  11  19.284   1.348 -28.575
  103   2HH2  ARG  11          HH22      ARG  11  19.079   0.160 -29.828
  104    H    VAL  12           H        VAL  12  22.302  -1.993 -21.657
  105    HA   VAL  12           HA       VAL  12  20.125   0.041 -21.450
  106    HB   VAL  12           HB       VAL  12  19.301  -1.136 -19.465
  107   1HG1  VAL  12          HG11      VAL  12  18.285  -1.593 -21.666
  108   2HG1  VAL  12          HG12      VAL  12  19.376  -2.979 -21.889
  109   3HG1  VAL  12          HG13      VAL  12  18.198  -2.985 -20.577
  110   1HG2  VAL  12          HG21      VAL  12  21.183  -3.428 -20.166
  111   2HG2  VAL  12          HG22      VAL  12  21.395  -2.328 -18.795
  112   3HG2  VAL  12          HG23      VAL  12  19.978  -3.380 -18.874
  113    H    GLN  13           H        GLN  13  23.302  -0.075 -21.225
  114    HA   GLN  13           HA       GLN  13  23.301   2.098 -19.303
  115   1HB   GLN  13          HB2       GLN  13  25.317  -0.191 -19.030
  116   2HB   GLN  13          HB3       GLN  13  25.392   1.372 -18.207
  117   1HG   GLN  13          HG2       GLN  13  23.067   0.807 -17.247
  118   2HG   GLN  13          HG3       GLN  13  23.378  -0.852 -17.798
  119   1HE2  GLN  13          HE22      GLN  13  24.926  -2.134 -16.581
  120   2HE2  GLN  13          HE21      GLN  13  25.729  -1.488 -15.151
  121    H    GLY  14           H        GLY  14  25.413   3.338 -19.619
  122   1HA   GLY  14          HA2       GLY  14  26.923   4.369 -21.078
  123   2HA   GLY  14          HA3       GLY  14  26.607   3.134 -22.312
  124    H    VAL  15           H        VAL  15  23.962   3.105 -22.675
  125    HA   VAL  15           HA       VAL  15  22.899   5.683 -23.488
  126    HB   VAL  15           HB       VAL  15  20.723   4.433 -23.463
  127   1HG1  VAL  15          HG11      VAL  15  22.988   3.061 -24.986
  128   2HG1  VAL  15          HG12      VAL  15  21.260   2.989 -25.376
  129   3HG1  VAL  15          HG13      VAL  15  22.124   4.529 -25.489
  130   1HG2  VAL  15          HG21      VAL  15  21.250   2.746 -21.677
  131   2HG2  VAL  15          HG22      VAL  15  20.647   2.027 -23.168
  132   3HG2  VAL  15          HG23      VAL  15  22.370   1.946 -22.807
  133    H    GLY  16           H        GLY  16  21.335   6.930 -22.274
  134   1HA   GLY  16          HA2       GLY  16  22.121   7.219 -19.525
  135   2HA   GLY  16          HA3       GLY  16  20.974   8.219 -20.425
  136    H    PHE  17           H        PHE  17  20.646   4.687 -19.943
  137    HA   PHE  17           HA       PHE  17  17.897   4.945 -19.410
  138   1HB   PHE  17          HB2       PHE  17  19.009   2.927 -20.340
  139   2HB   PHE  17          HB3       PHE  17  19.747   2.642 -18.764
  140    HD1  PHE  17           HD2      PHE  17  16.212   3.561 -19.734
  141    HD2  PHE  17           HD1      PHE  17  18.812   0.651 -17.900
  142    HE1  PHE  17           HE2      PHE  17  14.249   2.251 -19.052
  143    HE2  PHE  17           HE1      PHE  17  16.836  -0.711 -17.281
  144    HZ   PHE  17           HZ       PHE  17  14.548   0.069 -17.866
  145    H    ARG  18           H        ARG  18  20.632   4.806 -17.110
  146    HA   ARG  18           HA       ARG  18  19.212   4.369 -14.706
  147   1HB   ARG  18          HB2       ARG  18  21.531   6.303 -15.172
  148   2HB   ARG  18          HB3       ARG  18  20.994   5.695 -13.607
  149   1HG   ARG  18          HG2       ARG  18  21.657   3.394 -14.238
  150   2HG   ARG  18          HG3       ARG  18  22.158   3.972 -15.843
  151   1HD   ARG  18          HD2       ARG  18  23.745   5.562 -14.717
  152   2HD   ARG  18          HD3       ARG  18  23.349   4.805 -13.162
  153    HE   ARG  18           HE       ARG  18  24.120   2.665 -14.707
  154   1HH1  ARG  18          HH21      ARG  18  25.705   5.788 -14.040
  155   2HH1  ARG  18          HH22      ARG  18  27.299   5.146 -14.163
  156   1HH2  ARG  18          HH11      ARG  18  26.177   1.859 -14.925
  157   2HH2  ARG  18          HH12      ARG  18  27.594   2.844 -14.679
  158    H    TYR  19           H        TYR  19  19.690   7.423 -16.530
  159    HA   TYR  19           HA       TYR  19  18.213   9.014 -14.621
  160   1HB   TYR  19          HB2       TYR  19  18.964   9.672 -17.494
  161   2HB   TYR  19          HB3       TYR  19  18.494  10.804 -16.235
  162    HD1  TYR  19           HD2      TYR  19  19.990  10.908 -14.087
  163    HD2  TYR  19           HD1      TYR  19  21.260   9.123 -17.805
  164    HE1  TYR  19           HE2      TYR  19  22.344  11.044 -13.339
  165    HE2  TYR  19           HE1      TYR  19  23.621   9.250 -17.065
  166    HH   TYR  19           HH       TYR  19  24.570  10.605 -13.871
  167    H    PHE  20           H        PHE  20  17.450   7.381 -17.746
  168    HA   PHE  20           HA       PHE  20  14.861   8.428 -18.111
  169   1HB   PHE  20          HB2       PHE  20  16.129   6.949 -19.715
  170   2HB   PHE  20          HB3       PHE  20  15.747   5.568 -18.687
  171    HD1  PHE  20           HD1      PHE  20  14.269   8.167 -20.911
  172    HD2  PHE  20           HD2      PHE  20  13.585   4.517 -18.710
  173    HE1  PHE  20           HE1      PHE  20  12.111   7.848 -22.097
  174    HE2  PHE  20           HE2      PHE  20  11.448   4.187 -19.926
  175    HZ   PHE  20           HZ       PHE  20  10.701   5.856 -21.610
  176    H    VAL  21           H        VAL  21  15.852   5.466 -16.293
  177    HA   VAL  21           HA       VAL  21  13.267   4.867 -15.284
  178    HB   VAL  21           HB       VAL  21  16.048   4.222 -14.210
  179   1HG1  VAL  21          HG11      VAL  21  14.990   2.345 -13.032
  180   2HG1  VAL  21          HG12      VAL  21  14.315   3.864 -12.456
  181   3HG1  VAL  21          HG13      VAL  21  13.394   2.853 -13.600
  182   1HG2  VAL  21          HG21      VAL  21  15.688   2.024 -15.307
  183   2HG2  VAL  21          HG22      VAL  21  14.125   2.588 -15.939
  184   3HG2  VAL  21          HG23      VAL  21  15.630   3.321 -16.492
  185    H    GLN  22           H        GLN  22  15.908   6.963 -13.947
  186    HA   GLN  22           HA       GLN  22  14.673   7.500 -11.489
  187   1HB   GLN  22          HB2       GLN  22  17.044   8.198 -12.300
  188   2HB   GLN  22          HB3       GLN  22  16.280   9.542 -13.094
  189   1HG   GLN  22          HG2       GLN  22  16.954  10.466 -11.065
  190   2HG   GLN  22          HG3       GLN  22  15.240  10.141 -10.774
  191   1HE2  GLN  22          HE22      GLN  22  16.661   7.142 -10.747
  192   2HE2  GLN  22          HE21      GLN  22  16.943   6.973  -9.031
  193    H    MET  23           H        MET  23  14.279   9.226 -14.605
  194    HA   MET  23           HA       MET  23  12.487  11.178 -13.487
  195   1HB   MET  23          HB2       MET  23  13.099  10.365 -16.358
  196   2HB   MET  23          HB3       MET  23  12.130  11.774 -15.889
  197   1HG   MET  23          HG2       MET  23  14.016  12.747 -14.682
  198   2HG   MET  23          HG3       MET  23  14.990  11.312 -14.930
  199   1HE   MET  23          HE1       MET  23  13.469  14.540 -16.517
  200   2HE   MET  23          HE2       MET  23  13.945  14.416 -18.224
  201   3HE   MET  23          HE3       MET  23  12.702  13.329 -17.573
  202    H    GLU  24           H        GLU  24  11.970   8.075 -15.253
  203    HA   GLU  24           HA       GLU  24   9.132   8.411 -15.418
  204   1HB   GLU  24          HB2       GLU  24  10.938   5.968 -15.589
  205   2HB   GLU  24          HB3       GLU  24   9.189   5.875 -15.787
  206   1HG   GLU  24          HG2       GLU  24  11.021   7.594 -17.522
  207   2HG   GLU  24          HG3       GLU  24  10.402   6.005 -17.953
  208    H    ALA  25           H        ALA  25  11.211   7.161 -12.799
  209    HA   ALA  25           HA       ALA  25   8.978   6.219 -11.198
  210   1HB   ALA  25          HB1       ALA  25  11.777   7.141 -10.420
  211   2HB   ALA  25          HB2       ALA  25  10.643   6.283  -9.363
  212   3HB   ALA  25          HB3       ALA  25  11.308   5.474 -10.791
  213    H    ASP  26           H        ASP  26  10.915   9.246 -11.354
  214    HA   ASP  26           HA       ASP  26   9.734  10.525  -9.141
  215   1HB   ASP  26          HB2       ASP  26  11.860  11.239 -10.089
  216   2HB   ASP  26          HB3       ASP  26  11.075  11.697 -11.605
  217    H    LYS  27           H        LYS  27   8.886  10.823 -12.657
  218    HA   LYS  27           HA       LYS  27   6.765  12.657 -12.226
  219   1HB   LYS  27          HB2       LYS  27   6.111  12.272 -14.473
  220   2HB   LYS  27          HB3       LYS  27   7.860  12.210 -14.397
  221   1HG   LYS  27          HG2       LYS  27   7.487  10.453 -15.780
  222   2HG   LYS  27          HG3       LYS  27   7.496   9.593 -14.243
  223   1HD   LYS  27          HD2       LYS  27   5.028   9.541 -14.234
  224   2HD   LYS  27          HD3       LYS  27   4.972  10.508 -15.709
  225   1HE   LYS  27          HE2       LYS  27   6.320   7.778 -15.485
  226   2HE   LYS  27          HE3       LYS  27   4.641   8.000 -15.989
  227   1HZ   LYS  27          HZ1       LYS  27   6.987   9.123 -17.424
  228   2HZ   LYS  27          HZ2       LYS  27   6.210   7.804 -17.855
  229   3HZ   LYS  27          HZ3       LYS  27   5.403   9.244 -17.904
  230    H    ARG  28           H        ARG  28   6.936   9.372 -11.340
  231    HA   ARG  28           HA       ARG  28   3.979   9.165 -11.126
  232   1HB   ARG  28          HB2       ARG  28   5.653   7.484 -12.461
  233   2HB   ARG  28          HB3       ARG  28   5.839   6.806 -10.858
  234   1HG   ARG  28          HG2       ARG  28   4.115   5.577 -11.912
  235   2HG   ARG  28          HG3       ARG  28   3.256   6.652 -10.793
  236   1HD   ARG  28          HD2       ARG  28   2.663   8.168 -12.631
  237   2HD   ARG  28          HD3       ARG  28   3.718   7.279 -13.735
  238    HE   ARG  28           HE       ARG  28   2.252   5.475 -13.824
  239   1HH1  ARG  28          HH11      ARG  28   0.776   8.018 -11.807
  240   2HH1  ARG  28          HH12      ARG  28  -0.734   7.192 -11.690
  241   1HH2  ARG  28          HH21      ARG  28   0.405   4.392 -13.582
  242   2HH2  ARG  28          HH22      ARG  28  -0.966   5.016 -12.719
  243    H    LYS  29           H        LYS  29   6.411  10.244  -9.292
  244    HA   LYS  29           HA       LYS  29   7.010  10.306  -7.148
  245   1HB   LYS  29          HB2       LYS  29   4.019   9.960  -6.701
  246   2HB   LYS  29          HB3       LYS  29   5.181  10.587  -5.525
  247   1HG   LYS  29          HG2       LYS  29   5.725  12.478  -7.048
  248   2HG   LYS  29          HG3       LYS  29   4.554  11.868  -8.222
  249   1HD   LYS  29          HD2       LYS  29   3.537  13.666  -7.015
  250   2HD   LYS  29          HD3       LYS  29   2.728  12.160  -6.563
  251   1HE   LYS  29          HE2       LYS  29   4.056  12.079  -4.460
  252   2HE   LYS  29          HE3       LYS  29   4.910  13.552  -4.937
  253   1HZ   LYS  29          HZ1       LYS  29   2.793  14.733  -4.831
  254   2HZ   LYS  29          HZ2       LYS  29   2.002  13.369  -4.396
  255   3HZ   LYS  29          HZ3       LYS  29   3.112  14.023  -3.400
  256    H    LEU  30           H        LEU  30   7.389   7.700  -8.248
  257    HA   LEU  30           HA       LEU  30   6.796   5.785  -6.067
  258   1HB   LEU  30          HB2       LEU  30   8.564   5.618  -8.540
  259   2HB   LEU  30          HB3       LEU  30   8.376   4.316  -7.370
  260    HG   LEU  30           HG       LEU  30   6.110   5.490  -9.039
  261   1HD1  LEU  30          HD11      LEU  30   7.707   4.249 -10.408
  262   2HD1  LEU  30          HD12      LEU  30   7.631   2.870  -9.293
  263   3HD1  LEU  30          HD13      LEU  30   6.197   3.338 -10.237
  264   1HD2  LEU  30          HD21      LEU  30   5.181   4.602  -6.992
  265   2HD2  LEU  30          HD22      LEU  30   4.858   3.449  -8.286
  266   3HD2  LEU  30          HD23      LEU  30   6.163   3.118  -7.135
  267    H    ALA  31           H        ALA  31   8.733   4.699  -4.990
  268    HA   ALA  31           HA       ALA  31  11.071   6.479  -4.646
  269   1HB   ALA  31          HB1       ALA  31  10.923   6.336  -2.218
  270   2HB   ALA  31          HB2       ALA  31   9.445   7.079  -2.843
  271   3HB   ALA  31          HB3       ALA  31   9.433   5.375  -2.320
  272    H    GLY  32           H        GLY  32  12.961   5.289  -3.866
  273   1HA   GLY  32          HA2       GLY  32  13.559   2.762  -3.303
  274   2HA   GLY  32          HA3       GLY  32  12.828   2.536  -4.893
  275    H    TRP  33           H        TRP  33  14.811   1.894  -5.937
  276    HA   TRP  33           HA       TRP  33  16.634   4.118  -6.489
  277   1HB   TRP  33          HB2       TRP  33  18.643   2.827  -6.093
  278   2HB   TRP  33          HB3       TRP  33  17.733   3.063  -4.624
  279    HD1  TRP  33           HD1      TRP  33  18.018   0.163  -7.255
  280    HE1  TRP  33           HE1      TRP  33  18.308  -2.061  -5.985
  281    HE3  TRP  33           HE3      TRP  33  17.709   1.909  -2.437
  282    HZ2  TRP  33           HZ2      TRP  33  18.510  -2.933  -3.293
  283    HZ3  TRP  33           HZ3      TRP  33  17.989   0.346  -0.536
  284    HH2  TRP  33           HH2      TRP  33  18.398  -2.075  -0.942
  285    H    VAL  34           H        VAL  34  18.070   3.742  -8.297
  286    HA   VAL  34           HA       VAL  34  17.711   1.196  -9.735
  287    HB   VAL  34           HB       VAL  34  16.406   2.688 -11.071
  288   1HG1  VAL  34          HG11      VAL  34  18.766   4.609 -11.190
  289   2HG1  VAL  34          HG12      VAL  34  17.240   4.758 -12.085
  290   3HG1  VAL  34          HG13      VAL  34  17.245   4.877 -10.319
  291   1HG2  VAL  34          HG21      VAL  34  17.526   2.523 -13.208
  292   2HG2  VAL  34          HG22      VAL  34  19.118   2.433 -12.436
  293   3HG2  VAL  34          HG23      VAL  34  17.958   1.108 -12.235
  294    H    LYS  35           H        LYS  35  19.738   0.345 -10.392
  295    HA   LYS  35           HA       LYS  35  22.085   2.054 -10.090
  296   1HB   LYS  35          HB2       LYS  35  23.117   0.762  -8.316
  297   2HB   LYS  35          HB3       LYS  35  21.580   1.440  -7.782
  298   1HG   LYS  35          HG2       LYS  35  20.497  -0.793  -8.072
  299   2HG   LYS  35          HG3       LYS  35  22.073  -1.466  -8.550
  300   1HD   LYS  35          HD2       LYS  35  23.021  -0.676  -6.367
  301   2HD   LYS  35          HD3       LYS  35  21.401  -0.130  -5.885
  302   1HE   LYS  35          HE2       LYS  35  20.559  -2.432  -6.027
  303   2HE   LYS  35          HE3       LYS  35  22.125  -3.003  -6.617
  304   1HZ   LYS  35          HZ1       LYS  35  21.624  -1.832  -3.938
  305   2HZ   LYS  35          HZ2       LYS  35  21.902  -3.408  -4.258
  306   3HZ   LYS  35          HZ3       LYS  35  23.089  -2.316  -4.486
  307    H    ASN  36           H        ASN  36  24.036   1.109 -10.653
  308    HA   ASN  36           HA       ASN  36  24.063  -0.732 -12.879
  309   1HB   ASN  36          HB2       ASN  36  25.799   0.975 -12.581
  310   2HB   ASN  36          HB3       ASN  36  26.181   0.372 -10.968
  311   1HD2  ASN  36          HD22      ASN  36  27.878  -1.092 -10.787
  312   2HD2  ASN  36          HD21      ASN  36  28.553  -1.945 -12.167
  313    H    ARG  37           H        ARG  37  24.577  -2.980 -12.879
  314    HA   ARG  37           HA       ARG  37  25.571  -4.113 -10.304
  315   1HB   ARG  37          HB2       ARG  37  23.823  -5.415 -12.445
  316   2HB   ARG  37          HB3       ARG  37  24.872  -6.349 -11.393
  317   1HG   ARG  37          HG2       ARG  37  23.745  -5.364  -9.391
  318   2HG   ARG  37          HG3       ARG  37  22.605  -4.530 -10.467
  319   1HD   ARG  37          HD2       ARG  37  21.748  -6.648 -11.300
  320   2HD   ARG  37          HD3       ARG  37  23.055  -7.542 -10.497
  321    HE   ARG  37           HE       ARG  37  21.358  -5.991  -8.673
  322   1HH1  ARG  37          HH21      ARG  37  21.757  -9.177 -10.228
  323   2HH1  ARG  37          HH22      ARG  37  20.852 -10.005  -9.018
  324   1HH2  ARG  37          HH11      ARG  37  20.223  -7.009  -7.172
  325   2HH2  ARG  37          HH12      ARG  37  19.938  -8.743  -7.179
  326    H    ASP  38           H        ASP  38  27.565  -5.083 -10.511
  327    HA   ASP  38           HA       ASP  38  29.304  -4.087 -12.457
  328   1HB   ASP  38          HB2       ASP  38  30.004  -4.819 -10.235
  329   2HB   ASP  38          HB3       ASP  38  29.602  -6.494 -10.627
  330    H    ASP  39           H        ASP  39  27.422  -7.025 -12.524
  331    HA   ASP  39           HA       ASP  39  28.583  -8.543 -14.582
  332   1HB   ASP  39          HB2       ASP  39  26.784  -9.444 -13.347
  333   2HB   ASP  39          HB3       ASP  39  25.774  -8.017 -13.587
  334    H    GLY  40           H        GLY  40  26.717  -5.516 -14.802
  335   1HA   GLY  40          HA2       GLY  40  27.042  -4.174 -16.859
  336   2HA   GLY  40          HA3       GLY  40  26.727  -5.649 -17.791
  337    H    ARG  41           H        ARG  41  24.616  -6.603 -15.886
  338    HA   ARG  41           HA       ARG  41  22.283  -5.335 -16.867
  339   1HB   ARG  41          HB2       ARG  41  22.974  -7.292 -14.670
  340   2HB   ARG  41          HB3       ARG  41  21.395  -6.518 -14.590
  341   1HG   ARG  41          HG2       ARG  41  20.707  -7.304 -16.679
  342   2HG   ARG  41          HG3       ARG  41  22.334  -7.778 -17.188
  343   1HD   ARG  41          HD2       ARG  41  20.748  -9.107 -14.962
  344   2HD   ARG  41          HD3       ARG  41  20.693  -9.572 -16.676
  345    HE   ARG  41           HE       ARG  41  23.406  -9.480 -15.863
  346   1HH1  ARG  41          HH11      ARG  41  20.516 -11.501 -15.341
  347   2HH1  ARG  41          HH12      ARG  41  21.405 -12.959 -15.118
  348   1HH2  ARG  41          HH21      ARG  41  24.587 -11.407 -15.561
  349   2HH2  ARG  41          HH22      ARG  41  23.774 -12.910 -15.244
  350    H    VAL  42           H        VAL  42  20.633  -4.360 -15.558
  351    HA   VAL  42           HA       VAL  42  21.652  -2.374 -13.569
  352    HB   VAL  42           HB       VAL  42  19.396  -2.153 -15.635
  353   1HG1  VAL  42          HG11      VAL  42  19.053   0.165 -14.840
  354   2HG1  VAL  42          HG12      VAL  42  18.664  -1.004 -13.582
  355   3HG1  VAL  42          HG13      VAL  42  20.199  -0.111 -13.511
  356   1HG2  VAL  42          HG21      VAL  42  21.963  -0.551 -15.282
  357   2HG2  VAL  42          HG22      VAL  42  21.651  -1.754 -16.555
  358   3HG2  VAL  42          HG23      VAL  42  20.715  -0.259 -16.514
  359    H    GLU  43           H        GLU  43  20.347  -2.145 -11.734
  360    HA   GLU  43           HA       GLU  43  18.161  -4.138 -11.346
  361   1HB   GLU  43          HB2       GLU  43  20.106  -4.707  -9.963
  362   2HB   GLU  43          HB3       GLU  43  20.194  -3.045  -9.356
  363   1HG   GLU  43          HG2       GLU  43  17.842  -3.380  -8.408
  364   2HG   GLU  43          HG3       GLU  43  17.989  -5.086  -8.847
  365    H    ILE  44           H        ILE  44  16.272  -3.220 -10.659
  366    HA   ILE  44           HA       ILE  44  16.210  -0.377  -9.792
  367    HB   ILE  44           HB       ILE  44  14.184  -1.914 -11.455
  368   1HG1  ILE  44          HG12      ILE  44  15.812   0.374 -12.604
  369   2HG1  ILE  44          HG13      ILE  44  16.442  -1.261 -12.690
  370   1HG2  ILE  44          HG21      ILE  44  13.160  -0.129 -10.106
  371   2HG2  ILE  44          HG22      ILE  44  14.336   1.037 -10.744
  372   3HG2  ILE  44          HG23      ILE  44  13.116   0.315 -11.810
  373   1HD1  ILE  44          HD11      ILE  44  13.792  -0.425 -13.833
  374   2HD1  ILE  44          HD12      ILE  44  15.286  -0.807 -14.715
  375   3HD1  ILE  44          HD13      ILE  44  14.462  -2.079 -13.776
  376    H    LEU  45           H        LEU  45  14.806  -0.089  -7.984
  377    HA   LEU  45           HA       LEU  45  13.175  -2.372  -7.062
  378   1HB   LEU  45          HB2       LEU  45  15.546  -2.403  -6.009
  379   2HB   LEU  45          HB3       LEU  45  15.077  -0.936  -5.159
  380    HG   LEU  45           HG       LEU  45  13.662  -3.642  -4.989
  381   1HD1  LEU  45          HD11      LEU  45  15.518  -2.275  -3.005
  382   2HD1  LEU  45          HD12      LEU  45  14.731  -3.856  -2.801
  383   3HD1  LEU  45          HD13      LEU  45  15.962  -3.637  -4.055
  384   1HD2  LEU  45          HD21      LEU  45  12.661  -2.664  -2.873
  385   2HD2  LEU  45          HD22      LEU  45  13.201  -1.064  -3.434
  386   3HD2  LEU  45          HD23      LEU  45  12.013  -2.020  -4.359
  387    H    ALA  46           H        ALA  46  11.191  -1.499  -6.411
  388    HA   ALA  46           HA       ALA  46  11.099   1.354  -5.679
  389   1HB   ALA  46          HB1       ALA  46   9.477   0.181  -7.980
  390   2HB   ALA  46          HB2       ALA  46   9.306   1.816  -7.307
  391   3HB   ALA  46          HB3       ALA  46  10.803   1.357  -8.137
  392    H    GLU  47           H        GLU  47   9.314   1.892  -4.480
  393    HA   GLU  47           HA       GLU  47   7.180  -0.124  -4.080
  394   1HB   GLU  47          HB2       GLU  47   6.884   0.678  -1.797
  395   2HB   GLU  47          HB3       GLU  47   8.498  -0.006  -2.016
  396   1HG   GLU  47          HG2       GLU  47   9.478   2.247  -2.140
  397   2HG   GLU  47          HG3       GLU  47   7.875   2.989  -2.086
  398    H    GLY  48           H        GLY  48   5.065   0.779  -3.812
  399   1HA   GLY  48          HA2       GLY  48   4.221   3.352  -3.579
  400   2HA   GLY  48          HA3       GLY  48   4.623   3.247  -5.296
  401    HA   PRO  49           HA       PRO  49   0.208   1.766  -4.807
  402   1HB   PRO  49          HB2       PRO  49   0.079   3.435  -7.314
  403   2HB   PRO  49          HB3       PRO  49  -1.129   3.275  -6.005
  404   1HG   PRO  49          HG2       PRO  49   0.456   5.480  -6.176
  405   2HG   PRO  49          HG3       PRO  49   0.101   4.733  -4.585
  406   1HD   PRO  49          HD2       PRO  49   2.587   4.435  -6.283
  407   2HD   PRO  49          HD3       PRO  49   2.441   4.680  -4.517
  408    H    GLU  50           H        GLU  50  -0.608   0.006  -6.000
  409    HA   GLU  50           HA       GLU  50   1.167  -1.481  -7.629
  410   1HB   GLU  50          HB2       GLU  50  -0.622  -2.411  -6.217
  411   2HB   GLU  50          HB3       GLU  50  -1.851  -1.681  -7.262
  412   1HG   GLU  50          HG2       GLU  50  -1.028  -3.110  -9.145
  413   2HG   GLU  50          HG3       GLU  50   0.142  -3.848  -8.060
  414    H    ASN  51           H        ASN  51  -1.431   0.822  -8.525
  415    HA   ASN  51           HA       ASN  51  -1.389   0.239 -11.355
  416   1HB   ASN  51          HB2       ASN  51  -3.272   1.415 -10.343
  417   2HB   ASN  51          HB3       ASN  51  -2.224   2.731  -9.807
  418   1HD2  ASN  51          HD22      ASN  51  -3.362   1.059 -12.823
  419   2HD2  ASN  51          HD21      ASN  51  -3.232   2.480 -13.820
  420    H    ALA  52           H        ALA  52   0.281   2.687  -9.346
  421    HA   ALA  52           HA       ALA  52   1.693   4.006 -11.427
  422   1HB   ALA  52          HB1       ALA  52   2.359   3.630  -8.474
  423   2HB   ALA  52          HB2       ALA  52   3.184   4.751  -9.557
  424   3HB   ALA  52          HB3       ALA  52   1.461   4.986  -9.199
  425    H    LEU  53           H        LEU  53   2.599   1.271  -9.301
  426    HA   LEU  53           HA       LEU  53   5.181   0.852 -10.382
  427   1HB   LEU  53          HB2       LEU  53   3.179  -0.892  -8.915
  428   2HB   LEU  53          HB3       LEU  53   4.722  -1.536  -9.426
  429    HG   LEU  53           HG       LEU  53   4.495   0.936  -7.665
  430   1HD1  LEU  53          HD11      LEU  53   3.498  -0.952  -6.515
  431   2HD1  LEU  53          HD12      LEU  53   4.907  -1.984  -6.885
  432   3HD1  LEU  53          HD13      LEU  53   5.070  -0.582  -5.801
  433   1HD2  LEU  53          HD21      LEU  53   6.691   0.682  -8.847
  434   2HD2  LEU  53          HD22      LEU  53   6.832   0.492  -7.098
  435   3HD2  LEU  53          HD23      LEU  53   6.854  -0.939  -8.145
  436    H    GLN  54           H        GLN  54   1.985  -0.532 -11.435
  437    HA   GLN  54           HA       GLN  54   3.139  -2.242 -13.410
  438   1HB   GLN  54          HB2       GLN  54   0.417  -0.939 -13.126
  439   2HB   GLN  54          HB3       GLN  54   0.823  -1.922 -14.535
  440   1HG   GLN  54          HG2       GLN  54   1.205  -3.885 -13.222
  441   2HG   GLN  54          HG3       GLN  54   1.160  -2.984 -11.707
  442   1HE2  GLN  54          HE22      GLN  54  -0.862  -2.014 -11.036
  443   2HE2  GLN  54          HE21      GLN  54  -2.404  -2.694 -11.556
  444    H    SER  55           H        SER  55   1.895   1.192 -13.756
  445    HA   SER  55           HA       SER  55   2.683   1.399 -16.481
  446   1HB   SER  55          HB2       SER  55   2.964   3.930 -15.809
  447   2HB   SER  55          HB3       SER  55   1.370   3.161 -15.856
  448    HG   SER  55           HG       SER  55   2.865   3.214 -13.444
  449    H    PHE  56           H        PHE  56   4.639   1.683 -13.504
  450    HA   PHE  56           HA       PHE  56   6.915   2.704 -14.883
  451   1HB   PHE  56          HB2       PHE  56   6.441   3.062 -12.519
  452   2HB   PHE  56          HB3       PHE  56   6.680   1.359 -12.181
  453    HD1  PHE  56           HD2      PHE  56   8.587   4.024 -14.090
  454    HD2  PHE  56           HD1      PHE  56   8.656   1.074 -10.942
  455    HE1  PHE  56           HE2      PHE  56  10.965   4.557 -13.616
  456    HE2  PHE  56           HE1      PHE  56  11.017   1.624 -10.472
  457    HZ   PHE  56           HZ       PHE  56  12.155   3.393 -11.772
  458    H    VAL  57           H        VAL  57   5.811  -0.704 -14.192
  459    HA   VAL  57           HA       VAL  57   8.204  -1.860 -15.293
  460    HB   VAL  57           HB       VAL  57   5.430  -3.079 -15.581
  461   1HG1  VAL  57          HG11      VAL  57   7.210  -4.143 -16.933
  462   2HG1  VAL  57          HG12      VAL  57   8.230  -4.298 -15.490
  463   3HG1  VAL  57          HG13      VAL  57   6.707  -5.206 -15.620
  464   1HG2  VAL  57          HG21      VAL  57   5.686  -2.725 -13.217
  465   2HG2  VAL  57          HG22      VAL  57   6.038  -4.415 -13.521
  466   3HG2  VAL  57          HG23      VAL  57   7.378  -3.278 -13.251
  467    H    GLU  58           H        GLU  58   5.107  -0.726 -16.816
  468    HA   GLU  58           HA       GLU  58   5.796  -1.540 -19.428
  469   1HB   GLU  58          HB2       GLU  58   3.995   0.721 -18.488
  470   2HB   GLU  58          HB3       GLU  58   4.168   0.235 -20.176
  471   1HG   GLU  58          HG2       GLU  58   3.466  -2.076 -19.588
  472   2HG   GLU  58          HG3       GLU  58   3.207  -1.573 -17.918
  473    H    ALA  59           H        ALA  59   6.677   1.453 -17.682
  474    HA   ALA  59           HA       ALA  59   8.034   2.668 -19.875
  475   1HB   ALA  59          HB1       ALA  59   8.502   2.985 -16.876
  476   2HB   ALA  59          HB2       ALA  59   9.100   4.057 -18.154
  477   3HB   ALA  59          HB3       ALA  59   7.356   3.919 -17.863
  478    H    VAL  60           H        VAL  60   9.245   0.690 -17.099
  479    HA   VAL  60           HA       VAL  60  11.965   0.795 -17.800
  480    HB   VAL  60           HB       VAL  60  10.254  -1.024 -16.081
  481   1HG1  VAL  60          HG11      VAL  60  13.273  -1.196 -16.333
  482   2HG1  VAL  60          HG12      VAL  60  12.284  -1.959 -15.064
  483   3HG1  VAL  60          HG13      VAL  60  12.106  -2.471 -16.738
  484   1HG2  VAL  60          HG21      VAL  60  12.449   0.978 -15.366
  485   2HG2  VAL  60          HG22      VAL  60  10.727   1.371 -15.374
  486   3HG2  VAL  60          HG23      VAL  60  11.338   0.162 -14.246
  487    H    LYS  61           H        LYS  61   9.478  -1.672 -18.708
  488    HA   LYS  61           HA       LYS  61  11.387  -3.437 -19.846
  489   1HB   LYS  61          HB2       LYS  61   9.571  -4.704 -20.662
  490   2HB   LYS  61          HB3       LYS  61   9.110  -4.066 -19.082
  491   1HG   LYS  61          HG2       LYS  61   7.831  -2.238 -20.274
  492   2HG   LYS  61          HG3       LYS  61   8.163  -3.046 -21.805
  493   1HD   LYS  61          HD2       LYS  61   6.673  -4.214 -19.419
  494   2HD   LYS  61          HD3       LYS  61   5.913  -3.589 -20.877
  495   1HE   LYS  61          HE2       LYS  61   7.786  -6.002 -20.766
  496   2HE   LYS  61          HE3       LYS  61   6.028  -6.081 -20.774
  497   1HZ   LYS  61          HZ1       LYS  61   7.674  -4.993 -22.986
  498   2HZ   LYS  61          HZ2       LYS  61   6.894  -6.420 -22.976
  499   3HZ   LYS  61          HZ3       LYS  61   6.037  -5.039 -22.964
  500    H    ASN  62           H        ASN  62  10.142  -0.459 -21.159
  501    HA   ASN  62           HA       ASN  62  10.702  -1.126 -23.944
  502   1HB   ASN  62          HB2       ASN  62   9.134   0.723 -23.243
  503   2HB   ASN  62          HB3       ASN  62  10.523   1.613 -22.603
  504   1HD2  ASN  62          HD22      ASN  62   9.393   0.026 -25.675
  505   2HD2  ASN  62          HD21      ASN  62  10.136   1.207 -26.717
  506    H    GLY  63           H        GLY  63  12.619  -0.252 -21.147
  507   1HA   GLY  63          HA2       GLY  63  14.823   0.418 -20.912
  508   2HA   GLY  63          HA3       GLY  63  15.072   0.268 -22.651
  509    H    SER  64           H        SER  64  16.120   2.555 -22.157
  510    HA   SER  64           HA       SER  64  14.143   4.727 -22.397
  511   1HB   SER  64          HB2       SER  64  16.050   6.099 -23.020
  512   2HB   SER  64          HB3       SER  64  16.417   5.205 -21.539
  513    HG   SER  64           HG       SER  64  18.150   5.107 -22.987
  514    HA   PRO  65           HA       PRO  65  13.524   4.218 -26.886
  515   1HB   PRO  65          HB2       PRO  65  14.603   7.050 -26.967
  516   2HB   PRO  65          HB3       PRO  65  13.250   6.340 -27.906
  517   1HG   PRO  65          HG2       PRO  65  12.735   7.816 -25.692
  518   2HG   PRO  65          HG3       PRO  65  11.839   6.289 -25.975
  519   1HD   PRO  65          HD2       PRO  65  14.134   6.799 -24.091
  520   2HD   PRO  65          HD3       PRO  65  12.693   5.746 -23.884
  521    H    PHE  66           H        PHE  66  16.638   5.313 -25.532
  522    HA   PHE  66           HA       PHE  66  18.119   4.739 -28.008
  523   1HB   PHE  66          HB2       PHE  66  19.149   5.442 -25.236
  524   2HB   PHE  66          HB3       PHE  66  20.045   5.491 -26.745
  525    HD1  PHE  66           HD2      PHE  66  19.265   7.154 -28.581
  526    HD2  PHE  66           HD1      PHE  66  17.951   7.367 -24.473
  527    HE1  PHE  66           HE2      PHE  66  18.571   9.514 -28.919
  528    HE2  PHE  66           HE1      PHE  66  17.256   9.723 -24.820
  529    HZ   PHE  66           HZ       PHE  66  17.565  10.801 -27.042
  530    H    SER  67           H        SER  67  17.134   3.042 -25.098
  531    HA   SER  67           HA       SER  67  19.387   1.228 -24.937
  532   1HB   SER  67          HB2       SER  67  16.565   1.098 -23.822
  533   2HB   SER  67          HB3       SER  67  17.891   0.051 -23.324
  534    HG   SER  67           HG       SER  67  17.906   2.900 -23.057
  535    H    LYS  68           H        LYS  68  18.985  -1.149 -24.999
  536    HA   LYS  68           HA       LYS  68  16.703  -2.103 -26.582
  537   1HB   LYS  68          HB2       LYS  68  18.567  -2.056 -28.244
  538   2HB   LYS  68          HB3       LYS  68  19.551  -3.048 -27.161
  539   1HG   LYS  68          HG2       LYS  68  17.685  -4.809 -27.269
  540   2HG   LYS  68          HG3       LYS  68  16.934  -3.810 -28.523
  541   1HD   LYS  68          HD2       LYS  68  19.072  -4.037 -29.872
  542   2HD   LYS  68          HD3       LYS  68  19.711  -5.073 -28.586
  543   1HE   LYS  68          HE2       LYS  68  18.927  -6.514 -30.317
  544   2HE   LYS  68          HE3       LYS  68  17.827  -6.673 -28.946
  545   1HZ   LYS  68          HZ1       LYS  68  16.266  -5.226 -30.131
  546   2HZ   LYS  68          HZ2       LYS  68  17.306  -5.063 -31.386
  547   3HZ   LYS  68          HZ3       LYS  68  16.648  -6.511 -31.052
  548    H    VAL  69           H        VAL  69  15.783  -2.901 -24.696
  549    HA   VAL  69           HA       VAL  69  17.257  -4.446 -22.722
  550    HB   VAL  69           HB       VAL  69  14.276  -4.335 -23.394
  551   1HG1  VAL  69          HG11      VAL  69  14.749  -6.395 -22.159
  552   2HG1  VAL  69          HG12      VAL  69  15.715  -5.503 -20.971
  553   3HG1  VAL  69          HG13      VAL  69  13.959  -5.246 -21.082
  554   1HG2  VAL  69          HG21      VAL  69  14.115  -2.877 -21.381
  555   2HG2  VAL  69          HG22      VAL  69  15.885  -2.870 -21.257
  556   3HG2  VAL  69          HG23      VAL  69  15.081  -2.142 -22.660
  557    H    THR  70           H        THR  70  17.805  -6.614 -22.909
  558    HA   THR  70           HA       THR  70  16.677  -8.143 -25.217
  559    HB   THR  70           HB       THR  70  18.786  -9.442 -25.119
  560    HG1  THR  70           HG1      THR  70  19.648  -9.147 -23.168
  561   1HG2  THR  70          HG21      THR  70  18.550  -7.508 -26.686
  562   2HG2  THR  70          HG22      THR  70  19.253  -6.440 -25.456
  563   3HG2  THR  70          HG23      THR  70  20.220  -7.754 -26.152
  564    H    ASP  71           H        ASP  71  16.993  -7.999 -21.708
  565    HA   ASP  71           HA       ASP  71  14.976 -10.048 -21.510
  566   1HB   ASP  71          HB2       ASP  71  17.028 -11.473 -21.498
  567   2HB   ASP  71          HB3       ASP  71  17.671 -10.523 -20.160
  568    H    ILE  72           H        ILE  72  14.060 -10.041 -19.322
  569    HA   ILE  72           HA       ILE  72  14.914  -7.988 -17.449
  570    HB   ILE  72           HB       ILE  72  13.565  -6.652 -18.909
  571   1HG1  ILE  72          HG12      ILE  72  11.846  -7.306 -16.481
  572   2HG1  ILE  72          HG13      ILE  72  13.338  -6.367 -16.429
  573   1HG2  ILE  72          HG21      ILE  72  12.249  -8.415 -20.064
  574   2HG2  ILE  72          HG22      ILE  72  11.266  -8.629 -18.599
  575   3HG2  ILE  72          HG23      ILE  72  11.231  -7.103 -19.503
  576   1HD1  ILE  72          HD11      ILE  72  12.337  -4.693 -17.977
  577   2HD1  ILE  72          HD12      ILE  72  10.795  -5.587 -17.900
  578   3HD1  ILE  72          HD13      ILE  72  11.465  -4.856 -16.439
  579    H    SER  73           H        SER  73  14.135  -8.425 -15.356
  580    HA   SER  73           HA       SER  73  12.614 -10.952 -14.902
  581   1HB   SER  73          HB2       SER  73  15.232 -10.092 -13.568
  582   2HB   SER  73          HB3       SER  73  14.292 -11.545 -13.189
  583    HG   SER  73           HG       SER  73  16.036 -12.001 -14.590
  584    H    VAL  74           H        VAL  74  11.358 -10.861 -12.949
  585    HA   VAL  74           HA       VAL  74  11.351  -8.293 -11.453
  586    HB   VAL  74           HB       VAL  74   8.912  -9.685 -12.651
  587   1HG1  VAL  74          HG11      VAL  74   7.676  -7.639 -11.922
  588   2HG1  VAL  74          HG12      VAL  74   8.295  -8.583 -10.573
  589   3HG1  VAL  74          HG13      VAL  74   9.120  -7.092 -11.052
  590   1HG2  VAL  74          HG21      VAL  74   8.659  -7.643 -14.069
  591   2HG2  VAL  74          HG22      VAL  74  10.273  -7.118 -13.549
  592   3HG2  VAL  74          HG23      VAL  74  10.071  -8.616 -14.476
  593    H    THR  75           H        THR  75  10.874  -8.537  -9.299
  594    HA   THR  75           HA       THR  75   9.705 -11.073  -8.297
  595    HB   THR  75           HB       THR  75  12.030  -9.610  -6.960
  596    HG1  THR  75           HG1      THR  75  12.796 -10.541  -8.843
  597   1HG2  THR  75          HG21      THR  75  10.651 -10.942  -5.427
  598   2HG2  THR  75          HG22      THR  75  10.799 -12.365  -6.482
  599   3HG2  THR  75          HG23      THR  75  12.228 -11.706  -5.650
  600    H    GLU  76           H        GLU  76   7.766 -10.346  -7.420
  601    HA   GLU  76           HA       GLU  76   7.412  -7.618  -6.460
  602   1HB   GLU  76          HB2       GLU  76   5.191  -8.380  -5.806
  603   2HB   GLU  76          HB3       GLU  76   5.537  -8.771  -7.488
  604   1HG   GLU  76          HG2       GLU  76   6.031 -11.131  -6.831
  605   2HG   GLU  76          HG3       GLU  76   5.658 -10.730  -5.152
  606    H    SER  77           H        SER  77   6.901  -7.161  -4.208
  607    HA   SER  77           HA       SER  77   7.616  -9.078  -2.123
  608   1HB   SER  77          HB2       SER  77   9.319  -6.611  -2.704
  609   2HB   SER  77          HB3       SER  77   9.403  -7.549  -1.197
  610    HG   SER  77           HG       SER  77   9.548  -9.061  -3.481
  611    H    ARG  78           H        ARG  78   7.267  -8.085   0.047
  612    HA   ARG  78           HA       ARG  78   5.463  -5.738   0.105
  613   1HB   ARG  78          HB2       ARG  78   4.719  -8.545   1.055
  614   2HB   ARG  78          HB3       ARG  78   3.837  -7.080   1.516
  615   1HG   ARG  78          HG2       ARG  78   3.280  -6.597  -0.810
  616   2HG   ARG  78          HG3       ARG  78   4.218  -7.992  -1.356
  617   1HD   ARG  78          HD2       ARG  78   2.690  -9.510  -0.101
  618   2HD   ARG  78          HD3       ARG  78   1.724  -8.106   0.369
  619    HE   ARG  78           HE       ARG  78   0.770  -8.055  -1.705
  620   1HH1  ARG  78          HH21      ARG  78   3.662 -10.168  -1.973
  621   2HH1  ARG  78          HH22      ARG  78   3.369 -10.451  -3.682
  622   1HH2  ARG  78          HH11      ARG  78   0.488  -8.600  -3.989
  623   2HH2  ARG  78          HH12      ARG  78   1.693  -9.632  -4.737
  624    H    SER  79           H        SER  79   8.080  -5.774   0.795
  625    HA   SER  79           HA       SER  79   8.201  -5.728   3.763
  626   1HB   SER  79          HB2       SER  79  10.264  -6.977   1.891
  627   2HB   SER  79          HB3       SER  79  10.359  -6.872   3.660
  628    HG   SER  79           HG       SER  79   9.633  -8.924   2.942
  629    H    LEU  80           H        LEU  80   7.622  -3.528   2.826
  630    HA   LEU  80           HA       LEU  80   9.022  -2.228   0.859
  631   1HB   LEU  80          HB2       LEU  80   7.105  -1.378   3.002
  632   2HB   LEU  80          HB3       LEU  80   8.017  -0.114   2.202
  633    HG   LEU  80           HG       LEU  80   7.290  -0.929  -0.018
  634   1HD1  LEU  80          HD11      LEU  80   5.365  -2.487  -0.195
  635   2HD1  LEU  80          HD12      LEU  80   6.804  -3.290   0.423
  636   3HD1  LEU  80          HD13      LEU  80   5.494  -2.838   1.542
  637   1HD2  LEU  80          HD21      LEU  80   6.066   0.871   1.148
  638   2HD2  LEU  80          HD22      LEU  80   5.003  -0.092   0.115
  639   3HD2  LEU  80          HD23      LEU  80   4.984  -0.334   1.880
  640    H    GLU  81           H        GLU  81  10.251  -0.271   0.827
  641    HA   GLU  81           HA       GLU  81  12.728  -0.565   2.366
  642   1HB   GLU  81          HB2       GLU  81  11.855   1.498   0.287
  643   2HB   GLU  81          HB3       GLU  81  13.487   1.258   0.882
  644   1HG   GLU  81          HG2       GLU  81  11.854  -0.622  -0.876
  645   2HG   GLU  81          HG3       GLU  81  13.236   0.342  -1.352
  646    H    GLY  82           H        GLY  82   9.931   1.623   2.040
  647   1HA   GLY  82          HA2       GLY  82   9.261   3.489   3.215
  648   2HA   GLY  82          HA3       GLY  82  10.472   3.164   4.471
  649    H    HIS  83           H        HIS  83  11.324   3.303   1.029
  650    HA   HIS  83           HA       HIS  83  13.507   5.042   1.514
  651   1HB   HIS  83          HB2       HIS  83  12.731   3.388  -0.581
  652   2HB   HIS  83          HB3       HIS  83  12.478   4.970  -1.273
  653    HD1  HIS  83           HD1      HIS  83  14.656   5.972  -2.348
  654    HD2  HIS  83           HD2      HIS  83  15.330   3.017   0.578
  655    HE1  HIS  83           HE1      HIS  83  17.155   5.530  -2.339
  656    H    HIS  84           H        HIS  84  13.726   7.262   1.383
  657    HA   HIS  84           HA       HIS  84  11.243   8.754   1.620
  658   1HB   HIS  84          HB2       HIS  84  14.157   9.614   1.770
  659   2HB   HIS  84          HB3       HIS  84  12.778  10.638   2.145
  660    HD1  HIS  84           HD1      HIS  84  12.172   7.214   3.627
  661    HD2  HIS  84           HD2      HIS  84  14.194  10.801   4.562
  662    HE1  HIS  84           HE1      HIS  84  12.587   7.171   6.121
  663    H    ARG  85           H        ARG  85  13.334   8.068  -1.046
  664    HA   ARG  85           HA       ARG  85  11.841   9.811  -2.835
  665   1HB   ARG  85          HB2       ARG  85  13.930  10.815  -3.799
  666   2HB   ARG  85          HB3       ARG  85  13.534  11.420  -2.201
  667   1HG   ARG  85          HG2       ARG  85  15.280  10.214  -1.142
  668   2HG   ARG  85          HG3       ARG  85  15.526   9.147  -2.522
  669   1HD   ARG  85          HD2       ARG  85  16.074  12.142  -2.570
  670   2HD   ARG  85          HD3       ARG  85  17.299  10.901  -2.225
  671    HE   ARG  85           HE       ARG  85  16.194  10.047  -4.582
  672   1HH1  ARG  85          HH21      ARG  85  17.886  13.019  -3.639
  673   2HH1  ARG  85          HH22      ARG  85  18.405  13.384  -5.243
  674   1HH2  ARG  85          HH11      ARG  85  16.752  10.551  -6.677
  675   2HH2  ARG  85          HH12      ARG  85  17.776  11.908  -7.028
  676    H    PHE  86           H        PHE  86  12.850   9.376  -5.176
  677    HA   PHE  86           HA       PHE  86  13.697   6.537  -5.367
  678   1HB   PHE  86          HB2       PHE  86  11.833   7.539  -6.887
  679   2HB   PHE  86          HB3       PHE  86  13.133   8.391  -7.684
  680    HD1  PHE  86           HD2      PHE  86  12.022   4.934  -6.639
  681    HD2  PHE  86           HD1      PHE  86  14.289   7.305  -9.384
  682    HE1  PHE  86           HE2      PHE  86  12.622   2.880  -7.889
  683    HE2  PHE  86           HE1      PHE  86  14.884   5.248 -10.674
  684    HZ   PHE  86           HZ       PHE  86  14.062   3.038  -9.902
  685    H    SER  87           H        SER  87  15.871   6.131  -6.040
  686    HA   SER  87           HA       SER  87  17.648   8.520  -6.366
  687   1HB   SER  87          HB2       SER  87  18.073   6.093  -4.586
  688   2HB   SER  87          HB3       SER  87  19.165   7.480  -4.766
  689    HG   SER  87           HG       SER  87  17.908   7.816  -2.959
  690    H    ILE  88           H        ILE  88  19.888   7.935  -7.093
  691    HA   ILE  88           HA       ILE  88  19.948   5.551  -8.862
  692    HB   ILE  88           HB       ILE  88  21.654   8.027  -9.277
  693   1HG1  ILE  88          HG12      ILE  88  19.095   7.352 -10.768
  694   2HG1  ILE  88          HG13      ILE  88  19.314   8.711  -9.642
  695   1HG2  ILE  88          HG21      ILE  88  22.442   5.828 -10.232
  696   2HG2  ILE  88          HG22      ILE  88  20.915   5.711 -11.136
  697   3HG2  ILE  88          HG23      ILE  88  22.077   7.005 -11.484
  698   1HD1  ILE  88          HD11      ILE  88  20.574   8.393 -12.382
  699   2HD1  ILE  88          HD12      ILE  88  19.403   9.595 -11.841
  700   3HD1  ILE  88          HD13      ILE  88  21.057   9.637 -11.197
  701    H    VAL  89           H        VAL  89  21.726   4.188  -8.429
  702    HA   VAL  89           HA       VAL  89  23.839   5.216  -6.608
  703    HB   VAL  89           HB       VAL  89  22.927   2.356  -6.311
  704   1HG1  VAL  89          HG11      VAL  89  23.814   2.655  -4.026
  705   2HG1  VAL  89          HG12      VAL  89  25.034   3.004  -5.242
  706   3HG1  VAL  89          HG13      VAL  89  24.218   4.343  -4.398
  707   1HG2  VAL  89          HG21      VAL  89  20.830   3.562  -5.899
  708   2HG2  VAL  89          HG22      VAL  89  21.492   2.954  -4.387
  709   3HG2  VAL  89          HG23      VAL  89  21.666   4.676  -4.790
  710    H    TYR  90           H        TYR  90  25.887   4.040  -6.860
  711    HA   TYR  90           HA       TYR  90  26.240   3.100  -9.667
  712   1HB   TYR  90          HB2       TYR  90  28.011   5.019  -8.121
  713   2HB   TYR  90          HB3       TYR  90  28.153   4.557  -9.813
  714    HD1  TYR  90           HD1      TYR  90  26.060   5.098 -11.350
  715    HD2  TYR  90           HD2      TYR  90  26.833   6.992  -7.552
  716    HE1  TYR  90           HE1      TYR  90  24.602   7.003 -12.001
  717    HE2  TYR  90           HE2      TYR  90  25.374   8.883  -8.186
  718    HH   TYR  90           HH       TYR  90  24.025   9.814  -9.844
  719    H    SER  91           H        SER  91  25.951   1.426  -7.385
  720    HA   SER  91           HA       SER  91  28.168   0.483  -6.071
  721   1HB   SER  91          HB2       SER  91  25.945  -1.199  -7.287
  722   2HB   SER  91          HB3       SER  91  26.882  -1.558  -5.828
  723    HG   SER  91           HG       SER  91  25.819   0.053  -4.744
  Start of MODEL    7
    1   1H    MET   1          H1        MET   1   0.395  -0.351   0.549
    2   2H    MET   1          H2        MET   1  -0.550   0.722  -0.265
    3   3H    MET   1          H3        MET   1  -0.645  -0.883  -0.587
    4    HA   MET   1           HA       MET   1   0.562   0.212  -2.333
    5   1HB   MET   1          HB2       MET   1   2.400   1.055  -0.045
    6   2HB   MET   1          HB3       MET   1   2.903   1.048  -1.730
    7   1HG   MET   1          HG2       MET   1   0.928   2.532  -2.273
    8   2HG   MET   1          HG3       MET   1   0.667   2.706  -0.533
    9   1HE   MET   1          HE1       MET   1   2.064   6.207  -1.538
   10   2HE   MET   1          HE2       MET   1   0.930   5.160  -2.421
   11   3HE   MET   1          HE3       MET   1   0.794   5.331  -0.656
   12    H    LEU   2           H        LEU   2   2.803  -0.643  -3.165
   13    HA   LEU   2           HA       LEU   2   3.384  -3.341  -2.105
   14   1HB   LEU   2          HB2       LEU   2   1.802  -2.759  -4.465
   15   2HB   LEU   2          HB3       LEU   2   3.349  -3.358  -5.017
   16    HG   LEU   2           HG       LEU   2   1.528  -4.771  -3.022
   17   1HD1  LEU   2          HD11      LEU   2   0.607  -4.656  -5.323
   18   2HD1  LEU   2          HD12      LEU   2   2.106  -5.361  -5.960
   19   3HD1  LEU   2          HD13      LEU   2   1.061  -6.312  -4.883
   20   1HD2  LEU   2          HD21      LEU   2   3.866  -5.433  -2.619
   21   2HD2  LEU   2          HD22      LEU   2   3.002  -6.743  -3.414
   22   3HD2  LEU   2          HD23      LEU   2   4.106  -5.729  -4.357
   23    H    GLN   3           H        GLN   3   5.341  -4.208  -3.570
   24    HA   GLN   3           HA       GLN   3   7.191  -2.075  -4.347
   25   1HB   GLN   3          HB2       GLN   3   7.486  -2.289  -1.913
   26   2HB   GLN   3          HB3       GLN   3   7.562  -4.036  -2.053
   27   1HG   GLN   3          HG2       GLN   3   9.741  -3.728  -3.373
   28   2HG   GLN   3          HG3       GLN   3   9.654  -2.020  -2.918
   29   1HE2  GLN   3          HE22      GLN   3  11.092  -1.704  -1.164
   30   2HE2  GLN   3          HE21      GLN   3  11.212  -2.801   0.196
   31    H    TYR   4           H        TYR   4   8.822  -2.899  -5.747
   32    HA   TYR   4           HA       TYR   4   9.048  -5.784  -6.081
   33   1HB   TYR   4          HB2       TYR   4   8.915  -5.724  -8.544
   34   2HB   TYR   4          HB3       TYR   4   7.401  -5.467  -7.738
   35    HD1  TYR   4           HD1      TYR   4  10.125  -2.955  -8.743
   36    HD2  TYR   4           HD2      TYR   4   6.083  -4.403  -9.263
   37    HE1  TYR   4           HE1      TYR   4   9.703  -1.179 -10.379
   38    HE2  TYR   4           HE2      TYR   4   5.685  -2.653 -10.944
   39    HH   TYR   4           HH       TYR   4   6.544  -0.803 -12.037
   40    H    ARG   5           H        ARG   5  10.843  -6.292  -7.614
   41    HA   ARG   5           HA       ARG   5  12.901  -4.186  -7.842
   42   1HB   ARG   5          HB2       ARG   5  13.412  -5.730  -5.872
   43   2HB   ARG   5          HB3       ARG   5  13.427  -7.061  -7.027
   44   1HG   ARG   5          HG2       ARG   5  15.310  -5.831  -8.262
   45   2HG   ARG   5          HG3       ARG   5  15.319  -4.678  -6.913
   46   1HD   ARG   5          HD2       ARG   5  17.032  -6.332  -6.508
   47   2HD   ARG   5          HD3       ARG   5  15.744  -6.590  -5.341
   48    HE   ARG   5           HE       ARG   5  14.898  -8.411  -6.847
   49   1HH1  ARG   5          HH21      ARG   5  18.371  -7.553  -7.182
   50   2HH1  ARG   5          HH22      ARG   5  18.816  -9.184  -7.547
   51   1HH2  ARG   5          HH11      ARG   5  15.454 -10.384  -7.574
   52   2HH2  ARG   5          HH12      ARG   5  17.108 -10.844  -7.837
   53    H    ILE   6           H        ILE   6  13.872  -4.329  -9.929
   54    HA   ILE   6           HA       ILE   6  12.957  -6.527 -11.701
   55    HB   ILE   6           HB       ILE   6  12.666  -3.543 -12.261
   56   1HG1  ILE   6          HG12      ILE   6  10.662  -5.808 -11.896
   57   2HG1  ILE   6          HG13      ILE   6  10.874  -4.408 -10.852
   58   1HG2  ILE   6          HG21      ILE   6  12.108  -5.900 -14.119
   59   2HG2  ILE   6          HG22      ILE   6  11.799  -4.189 -14.471
   60   3HG2  ILE   6          HG23      ILE   6  13.449  -4.746 -14.291
   61   1HD1  ILE   6          HD11      ILE   6  10.071  -2.934 -12.702
   62   2HD1  ILE   6          HD12      ILE   6   9.686  -4.407 -13.638
   63   3HD1  ILE   6          HD13      ILE   6   8.885  -4.111 -12.089
   64    H    ILE   7           H        ILE   7  14.474  -7.080 -13.224
   65    HA   ILE   7           HA       ILE   7  17.146  -5.786 -12.992
   66    HB   ILE   7           HB       ILE   7  16.597  -8.774 -13.222
   67   1HG1  ILE   7          HG12      ILE   7  15.847  -8.081 -10.985
   68   2HG1  ILE   7          HG13      ILE   7  17.258  -9.115 -10.928
   69   1HG2  ILE   7          HG21      ILE   7  18.715  -8.164 -14.170
   70   2HG2  ILE   7          HG22      ILE   7  19.158  -7.208 -12.741
   71   3HG2  ILE   7          HG23      ILE   7  19.013  -8.980 -12.635
   72   1HD1  ILE   7          HD11      ILE   7  17.249  -7.107  -9.357
   73   2HD1  ILE   7          HD12      ILE   7  18.711  -7.302 -10.344
   74   3HD1  ILE   7          HD13      ILE   7  17.486  -6.091 -10.773
   75    H    VAL   8           H        VAL   8  18.085  -5.432 -14.986
   76    HA   VAL   8           HA       VAL   8  16.601  -6.374 -17.404
   77    HB   VAL   8           HB       VAL   8  17.628  -3.546 -16.896
   78   1HG1  VAL   8          HG11      VAL   8  16.245  -2.967 -18.854
   79   2HG1  VAL   8          HG12      VAL   8  17.435  -4.201 -19.289
   80   3HG1  VAL   8          HG13      VAL   8  15.740  -4.664 -19.011
   81   1HG2  VAL   8          HG21      VAL   8  15.769  -3.826 -15.352
   82   2HG2  VAL   8          HG22      VAL   8  15.190  -2.892 -16.731
   83   3HG2  VAL   8          HG23      VAL   8  14.786  -4.612 -16.608
   84    H    ASP   9           H        ASP   9  17.925  -6.941 -19.099
   85    HA   ASP   9           HA       ASP   9  20.856  -6.387 -18.915
   86   1HB   ASP   9          HB2       ASP   9  20.334  -8.865 -18.895
   87   2HB   ASP   9          HB3       ASP   9  19.477  -8.654 -20.414
   88    H    GLY  10           H        GLY  10  21.694  -5.598 -20.976
   89   1HA   GLY  10          HA2       GLY  10  20.567  -5.527 -23.423
   90   2HA   GLY  10          HA3       GLY  10  19.702  -4.221 -22.597
   91    H    ARG  11           H        ARG  11  20.845  -3.253 -24.573
   92    HA   ARG  11           HA       ARG  11  23.340  -1.869 -23.738
   93   1HB   ARG  11          HB2       ARG  11  22.863  -2.000 -26.157
   94   2HB   ARG  11          HB3       ARG  11  21.280  -1.252 -25.916
   95   1HG   ARG  11          HG2       ARG  11  22.390   0.825 -25.081
   96   2HG   ARG  11          HG3       ARG  11  23.966   0.055 -25.295
   97   1HD   ARG  11          HD2       ARG  11  23.566   1.528 -27.151
   98   2HD   ARG  11          HD3       ARG  11  23.531  -0.129 -27.738
   99    HE   ARG  11           HE       ARG  11  21.161   1.667 -27.272
  100   1HH1  ARG  11          HH21      ARG  11  22.536  -1.108 -29.040
  101   2HH1  ARG  11          HH22      ARG  11  21.202  -1.225 -30.124
  102   1HH2  ARG  11          HH11      ARG  11  19.436   1.475 -28.609
  103   2HH2  ARG  11          HH12      ARG  11  19.362   0.284 -29.874
  104    H    VAL  12           H        VAL  12  22.851  -1.131 -21.650
  105    HA   VAL  12           HA       VAL  12  20.636   0.841 -21.451
  106    HB   VAL  12           HB       VAL  12  20.147  -0.065 -19.165
  107   1HG1  VAL  12          HG11      VAL  12  18.643  -0.408 -21.093
  108   2HG1  VAL  12          HG12      VAL  12  19.477  -1.931 -21.474
  109   3HG1  VAL  12          HG13      VAL  12  18.590  -1.754 -19.949
  110   1HG2  VAL  12          HG21      VAL  12  21.522  -2.602 -20.123
  111   2HG2  VAL  12          HG22      VAL  12  22.119  -1.523 -18.846
  112   3HG2  VAL  12          HG23      VAL  12  20.590  -2.384 -18.637
  113    H    GLN  13           H        GLN  13  23.906  -0.113 -20.363
  114    HA   GLN  13           HA       GLN  13  23.944   1.825 -18.239
  115   1HB   GLN  13          HB2       GLN  13  26.219   0.323 -19.625
  116   2HB   GLN  13          HB3       GLN  13  26.434   1.442 -18.289
  117   1HG   GLN  13          HG2       GLN  13  26.415  -0.572 -17.207
  118   2HG   GLN  13          HG3       GLN  13  24.779   0.011 -16.946
  119   1HE2  GLN  13          HE22      GLN  13  24.991  -2.500 -16.416
  120   2HE2  GLN  13          HE21      GLN  13  24.464  -3.579 -17.702
  121    H    GLY  14           H        GLY  14  25.665   1.853 -21.435
  122   1HA   GLY  14          HA2       GLY  14  26.784   4.428 -21.011
  123   2HA   GLY  14          HA3       GLY  14  26.667   3.577 -22.562
  124    H    VAL  15           H        VAL  15  23.764   3.381 -22.509
  125    HA   VAL  15           HA       VAL  15  22.997   5.964 -23.556
  126    HB   VAL  15           HB       VAL  15  20.788   4.799 -23.876
  127   1HG1  VAL  15          HG11      VAL  15  22.541   4.797 -25.615
  128   2HG1  VAL  15          HG12      VAL  15  23.228   3.305 -24.940
  129   3HG1  VAL  15          HG13      VAL  15  21.592   3.306 -25.632
  130   1HG2  VAL  15          HG21      VAL  15  20.672   2.370 -23.539
  131   2HG2  VAL  15          HG22      VAL  15  22.249   2.344 -22.755
  132   3HG2  VAL  15          HG23      VAL  15  20.884   3.204 -21.996
  133    H    GLY  16           H        GLY  16  23.214   4.887 -20.332
  134   1HA   GLY  16          HA2       GLY  16  22.700   6.054 -18.450
  135   2HA   GLY  16          HA3       GLY  16  22.004   7.327 -19.462
  136    H    PHE  17           H        PHE  17  20.925   3.890 -19.374
  137    HA   PHE  17           HA       PHE  17  18.200   4.508 -19.267
  138   1HB   PHE  17          HB2       PHE  17  19.081   2.343 -19.945
  139   2HB   PHE  17          HB3       PHE  17  19.707   2.063 -18.317
  140    HD1  PHE  17           HD2      PHE  17  16.306   3.243 -19.488
  141    HD2  PHE  17           HD1      PHE  17  18.600   0.203 -17.453
  142    HE1  PHE  17           HE2      PHE  17  14.221   2.069 -18.882
  143    HE2  PHE  17           HE1      PHE  17  16.517  -1.002 -16.911
  144    HZ   PHE  17           HZ       PHE  17  14.323  -0.103 -17.645
  145    H    ARG  18           H        ARG  18  20.447   4.086 -16.528
  146    HA   ARG  18           HA       ARG  18  18.618   4.034 -14.427
  147   1HB   ARG  18          HB2       ARG  18  20.414   4.921 -13.021
  148   2HB   ARG  18          HB3       ARG  18  21.022   3.715 -14.152
  149   1HG   ARG  18          HG2       ARG  18  21.675   5.737 -15.662
  150   2HG   ARG  18          HG3       ARG  18  21.378   6.735 -14.234
  151   1HD   ARG  18          HD2       ARG  18  23.137   5.630 -13.006
  152   2HD   ARG  18          HD3       ARG  18  23.298   4.367 -14.224
  153    HE   ARG  18           HE       ARG  18  24.300   7.131 -14.350
  154   1HH1  ARG  18          HH21      ARG  18  23.849   4.093 -16.133
  155   2HH1  ARG  18          HH22      ARG  18  24.708   4.618 -17.540
  156   1HH2  ARG  18          HH11      ARG  18  25.498   7.806 -16.140
  157   2HH2  ARG  18          HH12      ARG  18  25.834   6.726 -17.456
  158    H    TYR  19           H        TYR  19  19.533   6.918 -16.360
  159    HA   TYR  19           HA       TYR  19  18.206   8.737 -14.524
  160   1HB   TYR  19          HB2       TYR  19  18.907   9.198 -17.441
  161   2HB   TYR  19          HB3       TYR  19  18.597  10.414 -16.212
  162    HD1  TYR  19           HD2      TYR  19  20.210  10.049 -13.978
  163    HD2  TYR  19           HD1      TYR  19  21.146   8.942 -18.038
  164    HE1  TYR  19           HE2      TYR  19  22.617  10.009 -13.404
  165    HE2  TYR  19           HE1      TYR  19  23.556   8.898 -17.480
  166    HH   TYR  19           HH       TYR  19  24.794   9.672 -14.195
  167    H    PHE  20           H        PHE  20  17.313   7.003 -17.555
  168    HA   PHE  20           HA       PHE  20  14.758   8.203 -17.883
  169   1HB   PHE  20          HB2       PHE  20  15.951   6.849 -19.593
  170   2HB   PHE  20          HB3       PHE  20  15.664   5.393 -18.645
  171    HD1  PHE  20           HD2      PHE  20  14.056   8.022 -20.719
  172    HD2  PHE  20           HD1      PHE  20  13.507   4.296 -18.617
  173    HE1  PHE  20           HE2      PHE  20  11.893   7.677 -21.889
  174    HE2  PHE  20           HE1      PHE  20  11.361   3.941 -19.811
  175    HZ   PHE  20           HZ       PHE  20  10.547   5.630 -21.443
  176    H    VAL  21           H        VAL  21  15.771   5.185 -16.187
  177    HA   VAL  21           HA       VAL  21  13.291   4.407 -15.120
  178    HB   VAL  21           HB       VAL  21  16.124   4.209 -14.019
  179   1HG1  VAL  21          HG11      VAL  21  13.762   2.534 -13.108
  180   2HG1  VAL  21          HG12      VAL  21  15.419   2.508 -12.497
  181   3HG1  VAL  21          HG13      VAL  21  14.416   3.903 -12.167
  182   1HG2  VAL  21          HG21      VAL  21  14.386   2.123 -15.412
  183   2HG2  VAL  21          HG22      VAL  21  15.715   3.002 -16.170
  184   3HG2  VAL  21          HG23      VAL  21  16.053   1.898 -14.840
  185    H    GLN  22           H        GLN  22  15.767   6.630 -13.629
  186    HA   GLN  22           HA       GLN  22  14.244   7.146 -11.331
  187   1HB   GLN  22          HB2       GLN  22  16.602   7.656 -11.500
  188   2HB   GLN  22          HB3       GLN  22  16.339   8.860 -12.751
  189   1HG   GLN  22          HG2       GLN  22  15.602  10.471 -11.303
  190   2HG   GLN  22          HG3       GLN  22  14.738   9.321 -10.271
  191   1HE2  GLN  22          HE22      GLN  22  16.562   7.574  -9.385
  192   2HE2  GLN  22          HE21      GLN  22  17.676   8.443  -8.345
  193    H    MET  23           H        MET  23  14.248   8.949 -14.465
  194    HA   MET  23           HA       MET  23  12.529  10.994 -13.378
  195   1HB   MET  23          HB2       MET  23  13.356  10.315 -16.222
  196   2HB   MET  23          HB3       MET  23  12.442  11.762 -15.761
  197   1HG   MET  23          HG2       MET  23  14.230  12.522 -14.296
  198   2HG   MET  23          HG3       MET  23  15.145  11.046 -14.528
  199   1HE   MET  23          HE1       MET  23  16.508  13.838 -14.782
  200   2HE   MET  23          HE2       MET  23  17.334  12.289 -15.066
  201   3HE   MET  23          HE3       MET  23  17.482  13.606 -16.250
  202    H    GLU  24           H        GLU  24  11.892   7.990 -15.261
  203    HA   GLU  24           HA       GLU  24   9.059   8.596 -15.492
  204   1HB   GLU  24          HB2       GLU  24  10.613   6.004 -15.852
  205   2HB   GLU  24          HB3       GLU  24   8.891   6.193 -16.173
  206   1HG   GLU  24          HG2       GLU  24  11.195   7.547 -17.630
  207   2HG   GLU  24          HG3       GLU  24  10.088   6.335 -18.257
  208    H    ALA  25           H        ALA  25  11.076   7.113 -12.958
  209    HA   ALA  25           HA       ALA  25   8.824   6.139 -11.418
  210   1HB   ALA  25          HB1       ALA  25  11.150   5.388 -10.969
  211   2HB   ALA  25          HB2       ALA  25  11.604   7.033 -10.502
  212   3HB   ALA  25          HB3       ALA  25  10.422   6.140  -9.546
  213    H    ASP  26           H        ASP  26  10.773   9.150 -11.432
  214    HA   ASP  26           HA       ASP  26   9.469  10.456  -9.314
  215   1HB   ASP  26          HB2       ASP  26  11.637  11.163 -10.173
  216   2HB   ASP  26          HB3       ASP  26  10.919  11.605 -11.725
  217    H    LYS  27           H        LYS  27   8.697  10.570 -12.865
  218    HA   LYS  27           HA       LYS  27   6.624  12.467 -12.500
  219   1HB   LYS  27          HB2       LYS  27   6.045  12.186 -14.718
  220   2HB   LYS  27          HB3       LYS  27   7.760  11.854 -14.653
  221   1HG   LYS  27          HG2       LYS  27   7.131  10.180 -16.041
  222   2HG   LYS  27          HG3       LYS  27   6.957   9.321 -14.512
  223   1HD   LYS  27          HD2       LYS  27   4.517   9.800 -14.535
  224   2HD   LYS  27          HD3       LYS  27   4.688  10.699 -16.035
  225   1HE   LYS  27          HE2       LYS  27   5.374   7.734 -15.719
  226   2HE   LYS  27          HE3       LYS  27   3.795   8.341 -16.235
  227   1HZ   LYS  27          HZ1       LYS  27   6.350   8.606 -17.695
  228   2HZ   LYS  27          HZ2       LYS  27   5.012   7.815 -18.157
  229   3HZ   LYS  27          HZ3       LYS  27   4.987   9.443 -18.113
  230    H    ARG  28           H        ARG  28   6.656   9.090 -11.675
  231    HA   ARG  28           HA       ARG  28   3.712   9.124 -11.191
  232   1HB   ARG  28          HB2       ARG  28   5.777   6.873 -11.117
  233   2HB   ARG  28          HB3       ARG  28   4.096   6.678 -10.650
  234   1HG   ARG  28          HG2       ARG  28   5.173   7.261 -13.412
  235   2HG   ARG  28          HG3       ARG  28   4.387   5.794 -12.844
  236   1HD   ARG  28          HD2       ARG  28   3.089   8.507 -13.291
  237   2HD   ARG  28          HD3       ARG  28   2.887   7.050 -14.251
  238    HE   ARG  28           HE       ARG  28   1.943   7.420 -11.423
  239   1HH1  ARG  28          HH21      ARG  28   1.347   6.052 -14.648
  240   2HH1  ARG  28          HH22      ARG  28  -0.043   5.159 -14.156
  241   1HH2  ARG  28          HH11      ARG  28  -0.065   6.451 -10.858
  242   2HH2  ARG  28          HH12      ARG  28  -0.887   5.432 -11.988
  243    H    LYS  29           H        LYS  29   6.319  10.283  -9.607
  244    HA   LYS  29           HA       LYS  29   7.066  10.490  -7.521
  245   1HB   LYS  29          HB2       LYS  29   4.105  10.386  -6.830
  246   2HB   LYS  29          HB3       LYS  29   5.394  11.020  -5.799
  247   1HG   LYS  29          HG2       LYS  29   5.935  12.743  -7.512
  248   2HG   LYS  29          HG3       LYS  29   4.636  12.127  -8.540
  249   1HD   LYS  29          HD2       LYS  29   3.836  14.080  -7.416
  250   2HD   LYS  29          HD3       LYS  29   2.973  12.676  -6.775
  251   1HE   LYS  29          HE2       LYS  29   4.462  12.670  -4.782
  252   2HE   LYS  29          HE3       LYS  29   5.368  14.036  -5.447
  253   1HZ   LYS  29          HZ1       LYS  29   3.347  15.369  -5.279
  254   2HZ   LYS  29          HZ2       LYS  29   2.508  14.105  -4.670
  255   3HZ   LYS  29          HZ3       LYS  29   3.737  14.755  -3.823
  256    H    LEU  30           H        LEU  30   7.215   7.812  -8.440
  257    HA   LEU  30           HA       LEU  30   6.643   6.024  -6.173
  258   1HB   LEU  30          HB2       LEU  30   8.413   5.769  -8.638
  259   2HB   LEU  30          HB3       LEU  30   8.228   4.498  -7.435
  260    HG   LEU  30           HG       LEU  30   5.955   5.625  -9.126
  261   1HD1  LEU  30          HD11      LEU  30   7.510   3.017  -9.354
  262   2HD1  LEU  30          HD12      LEU  30   6.069   3.456 -10.298
  263   3HD1  LEU  30          HD13      LEU  30   7.565   4.383 -10.487
  264   1HD2  LEU  30          HD21      LEU  30   6.062   3.264  -7.210
  265   2HD2  LEU  30          HD22      LEU  30   5.067   4.736  -7.048
  266   3HD2  LEU  30          HD23      LEU  30   4.736   3.577  -8.339
  267    H    ALA  31           H        ALA  31   8.531   4.937  -5.069
  268    HA   ALA  31           HA       ALA  31  10.886   6.717  -4.692
  269   1HB   ALA  31          HB1       ALA  31   9.253   5.336  -2.509
  270   2HB   ALA  31          HB2       ALA  31  10.790   6.183  -2.268
  271   3HB   ALA  31          HB3       ALA  31   9.355   7.092  -2.787
  272    H    GLY  32           H        GLY  32  12.866   5.482  -4.197
  273   1HA   GLY  32          HA2       GLY  32  13.121   2.702  -3.972
  274   2HA   GLY  32          HA3       GLY  32  12.722   3.019  -5.661
  275    H    TRP  33           H        TRP  33  14.823   1.973  -6.069
  276    HA   TRP  33           HA       TRP  33  16.881   4.034  -6.273
  277   1HB   TRP  33          HB2       TRP  33  18.711   2.709  -5.597
  278   2HB   TRP  33          HB3       TRP  33  17.564   2.766  -4.289
  279    HD1  TRP  33           HD1      TRP  33  18.194   0.154  -7.175
  280    HE1  TRP  33           HE1      TRP  33  18.474  -2.173  -6.113
  281    HE3  TRP  33           HE3      TRP  33  17.522   1.403  -2.240
  282    HZ2  TRP  33           HZ2      TRP  33  18.555  -3.300  -3.513
  283    HZ3  TRP  33           HZ3      TRP  33  17.761  -0.331  -0.487
  284    HH2  TRP  33           HH2      TRP  33  18.288  -2.683  -1.101
  285    H    VAL  34           H        VAL  34  18.479   3.585  -7.944
  286    HA   VAL  34           HA       VAL  34  17.998   1.189  -9.581
  287    HB   VAL  34           HB       VAL  34  16.811   3.010 -10.710
  288   1HG1  VAL  34          HG11      VAL  34  17.945   4.911 -11.723
  289   2HG1  VAL  34          HG12      VAL  34  18.024   4.973  -9.963
  290   3HG1  VAL  34          HG13      VAL  34  19.452   4.476 -10.895
  291   1HG2  VAL  34          HG21      VAL  34  19.343   2.282 -12.245
  292   2HG2  VAL  34          HG22      VAL  34  17.946   1.207 -12.026
  293   3HG2  VAL  34          HG23      VAL  34  17.759   2.717 -12.914
  294    H    LYS  35           H        LYS  35  19.944   0.255 -10.302
  295    HA   LYS  35           HA       LYS  35  22.432   1.774 -10.099
  296   1HB   LYS  35          HB2       LYS  35  23.532   0.226  -8.557
  297   2HB   LYS  35          HB3       LYS  35  22.181   1.060  -7.800
  298   1HG   LYS  35          HG2       LYS  35  20.774  -0.971  -8.014
  299   2HG   LYS  35          HG3       LYS  35  22.133  -1.825  -8.776
  300   1HD   LYS  35          HD2       LYS  35  23.507  -1.476  -6.745
  301   2HD   LYS  35          HD3       LYS  35  22.163  -0.595  -5.981
  302   1HE   LYS  35          HE2       LYS  35  20.742  -2.612  -6.147
  303   2HE   LYS  35          HE3       LYS  35  22.064  -3.501  -6.912
  304   1HZ   LYS  35          HZ1       LYS  35  21.908  -3.968  -4.550
  305   2HZ   LYS  35          HZ2       LYS  35  23.335  -3.240  -4.858
  306   3HZ   LYS  35          HZ3       LYS  35  22.117  -2.401  -4.156
  307    H    ASN  36           H        ASN  36  24.208   0.725 -11.109
  308    HA   ASN  36           HA       ASN  36  23.617  -1.354 -13.100
  309   1HB   ASN  36          HB2       ASN  36  25.358   0.388 -13.498
  310   2HB   ASN  36          HB3       ASN  36  26.255  -0.192 -12.087
  311   1HD2  ASN  36          HD22      ASN  36  27.908  -1.660 -12.594
  312   2HD2  ASN  36          HD21      ASN  36  27.859  -2.741 -13.964
  313    H    ARG  37           H        ARG  37  24.590  -3.542 -12.966
  314    HA   ARG  37           HA       ARG  37  25.474  -4.378 -10.237
  315   1HB   ARG  37          HB2       ARG  37  23.650  -5.849 -12.181
  316   2HB   ARG  37          HB3       ARG  37  24.520  -6.648 -10.875
  317   1HG   ARG  37          HG2       ARG  37  23.361  -5.138  -9.222
  318   2HG   ARG  37          HG3       ARG  37  22.415  -4.469 -10.557
  319   1HD   ARG  37          HD2       ARG  37  21.110  -6.153  -9.392
  320   2HD   ARG  37          HD3       ARG  37  21.462  -6.728 -11.017
  321    HE   ARG  37           HE       ARG  37  23.115  -8.229 -10.091
  322   1HH1  ARG  37          HH21      ARG  37  20.819  -6.897  -7.637
  323   2HH1  ARG  37          HH22      ARG  37  21.393  -7.967  -6.414
  324   1HH2  ARG  37          HH11      ARG  37  23.719  -9.680  -8.449
  325   2HH2  ARG  37          HH12      ARG  37  22.965  -9.631  -6.905
  326    H    ASP  38           H        ASP  38  27.203  -5.827 -10.252
  327    HA   ASP  38           HA       ASP  38  29.160  -5.285 -12.167
  328   1HB   ASP  38          HB2       ASP  38  29.633  -5.939  -9.860
  329   2HB   ASP  38          HB3       ASP  38  28.982  -7.554 -10.152
  330    H    ASP  39           H        ASP  39  26.836  -7.939 -12.107
  331    HA   ASP  39           HA       ASP  39  28.085  -9.669 -13.995
  332   1HB   ASP  39          HB2       ASP  39  26.234 -10.293 -12.463
  333   2HB   ASP  39          HB3       ASP  39  25.134  -9.258 -13.377
  334    H    GLY  40           H        GLY  40  26.668  -6.556 -14.483
  335   1HA   GLY  40          HA2       GLY  40  26.819  -5.427 -16.561
  336   2HA   GLY  40          HA3       GLY  40  26.558  -6.941 -17.438
  337    H    ARG  41           H        ARG  41  24.432  -6.963 -14.850
  338    HA   ARG  41           HA       ARG  41  22.112  -6.146 -16.458
  339   1HB   ARG  41          HB2       ARG  41  22.409  -7.054 -13.551
  340   2HB   ARG  41          HB3       ARG  41  20.875  -6.683 -14.314
  341   1HG   ARG  41          HG2       ARG  41  22.747  -8.905 -15.219
  342   2HG   ARG  41          HG3       ARG  41  21.350  -9.099 -14.145
  343   1HD   ARG  41          HD2       ARG  41  19.936  -8.092 -16.011
  344   2HD   ARG  41          HD3       ARG  41  21.354  -8.267 -17.056
  345    HE   ARG  41           HE       ARG  41  21.235 -10.747 -16.179
  346   1HH1  ARG  41          HH21      ARG  41  18.436  -8.754 -17.231
  347   2HH1  ARG  41          HH22      ARG  41  17.506 -10.184 -17.639
  348   1HH2  ARG  41          HH11      ARG  41  19.857 -12.546 -16.788
  349   2HH2  ARG  41          HH12      ARG  41  18.276 -12.179 -17.456
  350    H    VAL  42           H        VAL  42  20.549  -4.676 -15.380
  351    HA   VAL  42           HA       VAL  42  21.728  -2.668 -13.536
  352    HB   VAL  42           HB       VAL  42  19.741  -2.227 -15.817
  353   1HG1  VAL  42          HG11      VAL  42  20.500  -0.235 -13.636
  354   2HG1  VAL  42          HG12      VAL  42  19.558   0.129 -15.093
  355   3HG1  VAL  42          HG13      VAL  42  18.898  -0.969 -13.883
  356   1HG2  VAL  42          HG21      VAL  42  22.120  -2.105 -16.482
  357   2HG2  VAL  42          HG22      VAL  42  21.366  -0.508 -16.561
  358   3HG2  VAL  42          HG23      VAL  42  22.433  -0.918 -15.202
  359    H    GLU  43           H        GLU  43  20.268  -2.176 -11.818
  360    HA   GLU  43           HA       GLU  43  17.940  -3.999 -11.516
  361   1HB   GLU  43          HB2       GLU  43  19.645  -4.892 -10.130
  362   2HB   GLU  43          HB3       GLU  43  20.128  -3.301  -9.516
  363   1HG   GLU  43          HG2       GLU  43  17.958  -3.077  -8.351
  364   2HG   GLU  43          HG3       GLU  43  17.430  -4.634  -8.979
  365    H    ILE  44           H        ILE  44  16.176  -3.061 -10.777
  366    HA   ILE  44           HA       ILE  44  16.155  -0.219  -9.907
  367    HB   ILE  44           HB       ILE  44  14.126  -1.815 -11.532
  368   1HG1  ILE  44          HG12      ILE  44  15.800   0.416 -12.737
  369   2HG1  ILE  44          HG13      ILE  44  16.346  -1.243 -12.812
  370   1HG2  ILE  44          HG21      ILE  44  14.236   1.146 -10.827
  371   2HG2  ILE  44          HG22      ILE  44  13.045   0.410 -11.923
  372   3HG2  ILE  44          HG23      ILE  44  13.070  -0.050 -10.227
  373   1HD1  ILE  44          HD11      ILE  44  14.326  -1.976 -13.891
  374   2HD1  ILE  44          HD12      ILE  44  13.730  -0.290 -13.948
  375   3HD1  ILE  44          HD13      ILE  44  15.201  -0.744 -14.829
  376    H    LEU  45           H        LEU  45  14.809   0.040  -8.029
  377    HA   LEU  45           HA       LEU  45  13.131  -2.235  -7.161
  378   1HB   LEU  45          HB2       LEU  45  15.476  -2.296  -6.081
  379   2HB   LEU  45          HB3       LEU  45  15.027  -0.821  -5.234
  380    HG   LEU  45           HG       LEU  45  13.499  -3.468  -5.097
  381   1HD1  LEU  45          HD11      LEU  45  15.799  -3.662  -4.209
  382   2HD1  LEU  45          HD12      LEU  45  15.482  -2.297  -3.116
  383   3HD1  LEU  45          HD13      LEU  45  14.582  -3.820  -2.935
  384   1HD2  LEU  45          HD21      LEU  45  12.631  -2.473  -2.910
  385   2HD2  LEU  45          HD22      LEU  45  13.257  -0.904  -3.457
  386   3HD2  LEU  45          HD23      LEU  45  11.979  -1.753  -4.367
  387    H    ALA  46           H        ALA  46  11.140  -1.373  -6.513
  388    HA   ALA  46           HA       ALA  46  11.006   1.522  -5.942
  389   1HB   ALA  46          HB1       ALA  46  10.745   1.307  -8.412
  390   2HB   ALA  46          HB2       ALA  46   9.395   0.176  -8.153
  391   3HB   ALA  46          HB3       ALA  46   9.254   1.863  -7.625
  392    H    GLU  47           H        GLU  47   9.149   2.134  -4.873
  393    HA   GLU  47           HA       GLU  47   7.194   0.071  -3.992
  394   1HB   GLU  47          HB2       GLU  47   8.814   0.562  -2.197
  395   2HB   GLU  47          HB3       GLU  47   8.549   2.299  -2.407
  396   1HG   GLU  47          HG2       GLU  47   6.122   1.939  -1.760
  397   2HG   GLU  47          HG3       GLU  47   6.528   0.257  -1.404
  398    H    GLY  48           H        GLY  48   5.046   0.818  -4.001
  399   1HA   GLY  48          HA2       GLY  48   4.148   3.438  -3.843
  400   2HA   GLY  48          HA3       GLY  48   4.407   3.151  -5.565
  401    HA   PRO  49           HA       PRO  49   0.218   1.366  -4.572
  402   1HB   PRO  49          HB2       PRO  49  -1.284   2.899  -6.274
  403   2HB   PRO  49          HB3       PRO  49  -0.909   3.385  -4.592
  404   1HG   PRO  49          HG2       PRO  49   0.451   4.265  -7.138
  405   2HG   PRO  49          HG3       PRO  49  -0.052   5.269  -5.746
  406   1HD   PRO  49          HD2       PRO  49   2.526   4.357  -6.108
  407   2HD   PRO  49          HD3       PRO  49   1.820   4.628  -4.490
  408    H    GLU  50           H        GLU  50  -0.844  -0.088  -6.020
  409    HA   GLU  50           HA       GLU  50   0.954  -1.377  -7.712
  410   1HB   GLU  50          HB2       GLU  50  -0.922  -2.425  -6.488
  411   2HB   GLU  50          HB3       GLU  50  -2.073  -1.674  -7.607
  412   1HG   GLU  50          HG2       GLU  50  -0.995  -2.947  -9.490
  413   2HG   GLU  50          HG3       GLU  50   0.103  -3.694  -8.324
  414    H    ASN  51           H        ASN  51  -1.720   0.866  -8.652
  415    HA   ASN  51           HA       ASN  51  -1.511   0.411 -11.463
  416   1HB   ASN  51          HB2       ASN  51  -3.420   1.628 -10.555
  417   2HB   ASN  51          HB3       ASN  51  -2.370   2.898  -9.915
  418   1HD2  ASN  51          HD21      ASN  51  -3.617   1.456 -12.968
  419   2HD2  ASN  51          HD22      ASN  51  -3.248   2.844 -13.955
  420    H    ALA  52           H        ALA  52   0.241   2.706  -9.335
  421    HA   ALA  52           HA       ALA  52   1.628   4.028 -11.494
  422   1HB   ALA  52          HB1       ALA  52   1.369   5.085  -9.269
  423   2HB   ALA  52          HB2       ALA  52   2.332   3.780  -8.532
  424   3HB   ALA  52          HB3       ALA  52   3.082   4.895  -9.684
  425    H    LEU  53           H        LEU  53   2.416   1.308  -9.296
  426    HA   LEU  53           HA       LEU  53   5.043   0.870 -10.288
  427   1HB   LEU  53          HB2       LEU  53   2.981  -0.869  -8.895
  428   2HB   LEU  53          HB3       LEU  53   4.535  -1.514  -9.359
  429    HG   LEU  53           HG       LEU  53   4.185   0.888  -7.521
  430   1HD1  LEU  53          HD11      LEU  53   4.811  -2.034  -6.897
  431   2HD1  LEU  53          HD12      LEU  53   4.818  -0.689  -5.738
  432   3HD1  LEU  53          HD13      LEU  53   3.304  -1.163  -6.507
  433   1HD2  LEU  53          HD21      LEU  53   6.401   0.909  -8.632
  434   2HD2  LEU  53          HD22      LEU  53   6.559   0.495  -6.927
  435   3HD2  LEU  53          HD23      LEU  53   6.665  -0.780  -8.154
  436    H    GLN  54           H        GLN  54   1.899  -0.627 -11.335
  437    HA   GLN  54           HA       GLN  54   3.113  -2.292 -13.311
  438   1HB   GLN  54          HB2       GLN  54   0.309  -1.138 -13.021
  439   2HB   GLN  54          HB3       GLN  54   0.752  -2.231 -14.328
  440   1HG   GLN  54          HG2       GLN  54   0.962  -2.893 -11.358
  441   2HG   GLN  54          HG3       GLN  54  -0.325  -3.417 -12.432
  442   1HE2  GLN  54          HE22      GLN  54   2.517  -4.456 -11.008
  443   2HE2  GLN  54          HE21      GLN  54   2.977  -5.684 -12.157
  444    H    SER  55           H        SER  55   1.743   1.030 -13.570
  445    HA   SER  55           HA       SER  55   2.249   1.380 -16.346
  446   1HB   SER  55          HB2       SER  55   2.384   3.480 -14.142
  447   2HB   SER  55          HB3       SER  55   2.093   3.757 -15.867
  448    HG   SER  55           HG       SER  55   0.413   2.471 -13.961
  449    H    PHE  56           H        PHE  56   4.359   1.808 -13.466
  450    HA   PHE  56           HA       PHE  56   6.547   2.800 -14.981
  451   1HB   PHE  56          HB2       PHE  56   6.197   3.263 -12.620
  452   2HB   PHE  56          HB3       PHE  56   6.458   1.574 -12.213
  453    HD1  PHE  56           HD2      PHE  56   8.224   4.165 -14.335
  454    HD2  PHE  56           HD1      PHE  56   8.519   1.322 -11.101
  455    HE1  PHE  56           HE2      PHE  56  10.656   4.630 -14.113
  456    HE2  PHE  56           HE1      PHE  56  10.927   1.835 -10.862
  457    HZ   PHE  56           HZ       PHE  56  11.981   3.514 -12.357
  458    H    VAL  57           H        VAL  57   5.506  -0.603 -14.245
  459    HA   VAL  57           HA       VAL  57   7.933  -1.730 -15.316
  460    HB   VAL  57           HB       VAL  57   5.198  -3.003 -15.668
  461   1HG1  VAL  57          HG11      VAL  57   7.024  -4.032 -16.956
  462   2HG1  VAL  57          HG12      VAL  57   8.018  -4.148 -15.491
  463   3HG1  VAL  57          HG13      VAL  57   6.524  -5.100 -15.644
  464   1HG2  VAL  57          HG21      VAL  57   7.062  -3.164 -13.268
  465   2HG2  VAL  57          HG22      VAL  57   5.369  -2.622 -13.288
  466   3HG2  VAL  57          HG23      VAL  57   5.740  -4.310 -13.579
  467    H    GLU  58           H        GLU  58   4.825  -0.628 -16.838
  468    HA   GLU  58           HA       GLU  58   5.549  -1.410 -19.449
  469   1HB   GLU  58          HB2       GLU  58   3.704   0.834 -18.554
  470   2HB   GLU  58          HB3       GLU  58   3.900   0.308 -20.225
  471   1HG   GLU  58          HG2       GLU  58   3.213  -1.996 -19.580
  472   2HG   GLU  58          HG3       GLU  58   2.933  -1.447 -17.929
  473    H    ALA  59           H        ALA  59   6.351   1.607 -17.680
  474    HA   ALA  59           HA       ALA  59   7.802   2.772 -19.845
  475   1HB   ALA  59          HB1       ALA  59   8.215   3.134 -16.845
  476   2HB   ALA  59          HB2       ALA  59   8.846   4.180 -18.127
  477   3HB   ALA  59          HB3       ALA  59   7.095   4.065 -17.867
  478    H    VAL  60           H        VAL  60   8.957   0.800 -17.037
  479    HA   VAL  60           HA       VAL  60  11.690   0.921 -17.679
  480    HB   VAL  60           HB       VAL  60   9.945  -0.876 -15.980
  481   1HG1  VAL  60          HG11      VAL  60  12.950  -1.194 -16.232
  482   2HG1  VAL  60          HG12      VAL  60  11.944  -1.861 -14.929
  483   3HG1  VAL  60          HG13      VAL  60  11.710  -2.412 -16.586
  484   1HG2  VAL  60          HG21      VAL  60  10.461   1.483 -15.266
  485   2HG2  VAL  60          HG22      VAL  60  11.086   0.275 -14.142
  486   3HG2  VAL  60          HG23      VAL  60  12.183   1.085 -15.283
  487    H    LYS  61           H        LYS  61   9.249  -1.552 -18.646
  488    HA   LYS  61           HA       LYS  61  11.168  -3.346 -19.689
  489   1HB   LYS  61          HB2       LYS  61   9.358  -4.589 -20.555
  490   2HB   LYS  61          HB3       LYS  61   8.798  -3.885 -19.036
  491   1HG   LYS  61          HG2       LYS  61   7.555  -2.143 -20.302
  492   2HG   LYS  61          HG3       LYS  61   8.127  -2.842 -21.829
  493   1HD   LYS  61          HD2       LYS  61   7.032  -5.015 -21.182
  494   2HD   LYS  61          HD3       LYS  61   6.352  -4.199 -19.757
  495   1HE   LYS  61          HE2       LYS  61   5.198  -2.573 -21.259
  496   2HE   LYS  61          HE3       LYS  61   5.906  -3.371 -22.666
  497   1HZ   LYS  61          HZ1       LYS  61   4.672  -5.372 -22.090
  498   2HZ   LYS  61          HZ2       LYS  61   4.016  -4.656 -20.774
  499   3HZ   LYS  61          HZ3       LYS  61   3.648  -4.122 -22.270
  500    H    ASN  62           H        ASN  62  10.060  -0.361 -21.065
  501    HA   ASN  62           HA       ASN  62  10.637  -0.991 -23.838
  502   1HB   ASN  62          HB2       ASN  62   9.180   0.913 -23.104
  503   2HB   ASN  62          HB3       ASN  62  10.589   1.689 -22.378
  504   1HD2  ASN  62          HD22      ASN  62  11.953   2.900 -23.669
  505   2HD2  ASN  62          HD21      ASN  62  11.723   3.099 -25.403
  506    H    GLY  63           H        GLY  63  12.588  -0.121 -21.015
  507   1HA   GLY  63          HA2       GLY  63  14.825   0.496 -20.815
  508   2HA   GLY  63          HA3       GLY  63  15.064   0.290 -22.548
  509    H    SER  64           H        SER  64  16.166   2.589 -21.983
  510    HA   SER  64           HA       SER  64  14.342   4.843 -22.301
  511   1HB   SER  64          HB2       SER  64  17.217   4.544 -23.266
  512   2HB   SER  64          HB3       SER  64  16.314   6.042 -23.005
  513    HG   SER  64           HG       SER  64  17.748   5.586 -21.305
  514    HA   PRO  65           HA       PRO  65  13.472   4.177 -26.745
  515   1HB   PRO  65          HB2       PRO  65  14.580   6.991 -26.950
  516   2HB   PRO  65          HB3       PRO  65  13.174   6.277 -27.801
  517   1HG   PRO  65          HG2       PRO  65  12.791   7.819 -25.605
  518   2HG   PRO  65          HG3       PRO  65  11.859   6.300 -25.804
  519   1HD   PRO  65          HD2       PRO  65  14.244   6.821 -24.038
  520   2HD   PRO  65          HD3       PRO  65  12.800   5.793 -23.745
  521    H    PHE  66           H        PHE  66  16.610   5.584 -25.713
  522    HA   PHE  66           HA       PHE  66  18.035   4.741 -28.093
  523   1HB   PHE  66          HB2       PHE  66  19.098   5.613 -25.380
  524   2HB   PHE  66          HB3       PHE  66  19.999   5.550 -26.888
  525    HD1  PHE  66           HD1      PHE  66  19.013   7.000 -28.891
  526    HD2  PHE  66           HD2      PHE  66  18.136   7.675 -24.717
  527    HE1  PHE  66           HE1      PHE  66  18.332   9.332 -29.405
  528    HE2  PHE  66           HE2      PHE  66  17.453  10.000 -25.240
  529    HZ   PHE  66           HZ       PHE  66  17.549  10.834 -27.582
  530    H    SER  67           H        SER  67  17.105   3.042 -25.167
  531    HA   SER  67           HA       SER  67  19.428   1.346 -24.955
  532   1HB   SER  67          HB2       SER  67  16.590   0.994 -23.911
  533   2HB   SER  67          HB3       SER  67  18.012   0.138 -23.324
  534    HG   SER  67           HG       SER  67  18.843   2.113 -22.584
  535    H    LYS  68           H        LYS  68  19.109  -1.053 -24.952
  536    HA   LYS  68           HA       LYS  68  16.958  -2.068 -26.695
  537   1HB   LYS  68          HB2       LYS  68  18.969  -1.908 -28.203
  538   2HB   LYS  68          HB3       LYS  68  19.849  -2.976 -27.102
  539   1HG   LYS  68          HG2       LYS  68  17.929  -4.671 -27.451
  540   2HG   LYS  68          HG3       LYS  68  17.344  -3.587 -28.727
  541   1HD   LYS  68          HD2       LYS  68  19.720  -3.793 -29.734
  542   2HD   LYS  68          HD3       LYS  68  19.969  -5.134 -28.604
  543   1HE   LYS  68          HE2       LYS  68  17.748  -4.940 -30.702
  544   2HE   LYS  68          HE3       LYS  68  19.259  -5.822 -30.918
  545   1HZ   LYS  68          HZ1       LYS  68  17.206  -6.471 -28.880
  546   2HZ   LYS  68          HZ2       LYS  68  17.473  -7.285 -30.262
  547   3HZ   LYS  68          HZ3       LYS  68  18.617  -7.285 -29.109
  548    H    VAL  69           H        VAL  69  15.955  -2.880 -24.826
  549    HA   VAL  69           HA       VAL  69  17.363  -4.383 -22.788
  550    HB   VAL  69           HB       VAL  69  14.421  -4.360 -23.612
  551   1HG1  VAL  69          HG11      VAL  69  14.848  -6.412 -22.370
  552   2HG1  VAL  69          HG12      VAL  69  15.777  -5.536 -21.144
  553   3HG1  VAL  69          HG13      VAL  69  14.024  -5.279 -21.301
  554   1HG2  VAL  69          HG21      VAL  69  15.892  -2.863 -21.397
  555   2HG2  VAL  69          HG22      VAL  69  15.127  -2.148 -22.831
  556   3HG2  VAL  69          HG23      VAL  69  14.127  -2.912 -21.599
  557    H    THR  70           H        THR  70  17.997  -6.523 -22.893
  558    HA   THR  70           HA       THR  70  17.137  -8.135 -25.251
  559    HB   THR  70           HB       THR  70  19.310  -9.328 -24.850
  560    HG1  THR  70           HG1      THR  70  20.707  -8.547 -23.415
  561   1HG2  THR  70          HG21      THR  70  19.552  -6.327 -25.396
  562   2HG2  THR  70          HG22      THR  70  20.720  -7.577 -25.868
  563   3HG2  THR  70          HG23      THR  70  19.105  -7.556 -26.593
  564    H    ASP  71           H        ASP  71  17.224  -7.985 -21.706
  565    HA   ASP  71           HA       ASP  71  15.287 -10.143 -21.608
  566   1HB   ASP  71          HB2       ASP  71  17.370 -11.480 -21.524
  567   2HB   ASP  71          HB3       ASP  71  17.992 -10.456 -20.229
  568    H    ILE  72           H        ILE  72  14.133 -10.061 -19.572
  569    HA   ILE  72           HA       ILE  72  14.962  -8.098 -17.575
  570    HB   ILE  72           HB       ILE  72  13.713  -6.732 -19.076
  571   1HG1  ILE  72          HG12      ILE  72  11.837  -7.379 -16.768
  572   2HG1  ILE  72          HG13      ILE  72  13.355  -6.498 -16.592
  573   1HG2  ILE  72          HG21      ILE  72  11.399  -7.140 -19.793
  574   2HG2  ILE  72          HG22      ILE  72  12.430  -8.451 -20.328
  575   3HG2  ILE  72          HG23      ILE  72  11.374  -8.683 -18.917
  576   1HD1  ILE  72          HD11      ILE  72  11.522  -4.920 -16.716
  577   2HD1  ILE  72          HD12      ILE  72  12.529  -4.753 -18.165
  578   3HD1  ILE  72          HD13      ILE  72  10.960  -5.594 -18.244
  579    H    SER  73           H        SER  73  14.169  -8.578 -15.522
  580    HA   SER  73           HA       SER  73  12.457 -10.967 -15.106
  581   1HB   SER  73          HB2       SER  73  15.214 -10.523 -13.863
  582   2HB   SER  73          HB3       SER  73  14.107 -11.857 -13.503
  583    HG   SER  73           HG       SER  73  15.720 -12.466 -14.994
  584    H    VAL  74           H        VAL  74  11.720 -11.062 -12.788
  585    HA   VAL  74           HA       VAL  74  11.628  -8.398 -11.479
  586    HB   VAL  74           HB       VAL  74   9.224 -10.108 -12.252
  587   1HG1  VAL  74          HG11      VAL  74   7.889  -8.109 -11.539
  588   2HG1  VAL  74          HG12      VAL  74   8.737  -8.888 -10.211
  589   3HG1  VAL  74          HG13      VAL  74   9.375  -7.381 -10.892
  590   1HG2  VAL  74          HG21      VAL  74  10.209  -7.493 -13.466
  591   2HG2  VAL  74          HG22      VAL  74  10.047  -9.065 -14.279
  592   3HG2  VAL  74          HG23      VAL  74   8.606  -8.201 -13.757
  593    H    THR  75           H        THR  75  11.189  -8.450  -9.297
  594    HA   THR  75           HA       THR  75  10.670 -10.999  -7.891
  595    HB   THR  75           HB       THR  75  12.260  -8.814  -6.562
  596    HG1  THR  75           HG1      THR  75  13.300  -9.491  -8.640
  597   1HG2  THR  75          HG21      THR  75  13.267 -10.673  -5.318
  598   2HG2  THR  75          HG22      THR  75  11.498 -10.717  -5.230
  599   3HG2  THR  75          HG23      THR  75  12.360 -11.840  -6.309
  600    H    GLU  76           H        GLU  76   9.053 -10.561  -6.159
  601    HA   GLU  76           HA       GLU  76   7.966  -7.778  -6.100
  602   1HB   GLU  76          HB2       GLU  76   6.399 -10.378  -6.315
  603   2HB   GLU  76          HB3       GLU  76   5.705  -8.797  -5.928
  604   1HG   GLU  76          HG2       GLU  76   6.520  -7.908  -8.108
  605   2HG   GLU  76          HG3       GLU  76   7.153  -9.505  -8.515
  606    H    SER  77           H        SER  77   7.302  -7.088  -4.047
  607    HA   SER  77           HA       SER  77   8.063  -8.818  -1.753
  608   1HB   SER  77          HB2       SER  77   9.410  -6.203  -2.564
  609   2HB   SER  77          HB3       SER  77   9.807  -7.192  -1.147
  610    HG   SER  77           HG       SER  77  11.266  -7.548  -2.849
  611    H    ARG  78           H        ARG  78   7.773  -7.648   0.315
  612    HA   ARG  78           HA       ARG  78   6.240  -5.126   0.223
  613   1HB   ARG  78          HB2       ARG  78   5.354  -7.620   1.742
  614   2HB   ARG  78          HB3       ARG  78   4.783  -5.991   2.127
  615   1HG   ARG  78          HG2       ARG  78   3.916  -5.716  -0.169
  616   2HG   ARG  78          HG3       ARG  78   4.402  -7.379  -0.553
  617   1HD   ARG  78          HD2       ARG  78   2.877  -8.253   1.173
  618   2HD   ARG  78          HD3       ARG  78   2.466  -6.609   1.665
  619    HE   ARG  78           HE       ARG  78   1.055  -6.372  -0.104
  620   1HH1  ARG  78          HH21      ARG  78   2.964  -9.315  -0.669
  621   2HH1  ARG  78          HH22      ARG  78   2.026  -9.833  -2.019
  622   1HH2  ARG  78          HH11      ARG  78  -0.209  -7.077  -1.886
  623   2HH2  ARG  78          HH12      ARG  78   0.180  -8.533  -2.718
  624    H    SER  79           H        SER  79   9.039  -5.848   0.685
  625    HA   SER  79           HA       SER  79   9.561  -5.593   3.583
  626   1HB   SER  79          HB2       SER  79  11.446  -5.942   1.207
  627   2HB   SER  79          HB3       SER  79  11.860  -6.098   2.925
  628    HG   SER  79           HG       SER  79  10.527  -7.927   3.029
  629    H    LEU  80           H        LEU  80   8.269  -3.500   3.080
  630    HA   LEU  80           HA       LEU  80   8.873  -1.700   1.148
  631   1HB   LEU  80          HB2       LEU  80   7.773  -1.013   3.899
  632   2HB   LEU  80          HB3       LEU  80   7.632  -0.019   2.462
  633    HG   LEU  80           HG       LEU  80   6.313  -2.696   2.997
  634   1HD1  LEU  80          HD11      LEU  80   5.172   0.048   2.345
  635   2HD1  LEU  80          HD12      LEU  80   4.242  -1.426   2.700
  636   3HD1  LEU  80          HD13      LEU  80   5.248  -0.694   3.959
  637   1HD2  LEU  80          HD21      LEU  80   6.985  -2.800   0.643
  638   2HD2  LEU  80          HD22      LEU  80   5.246  -2.521   0.754
  639   3HD2  LEU  80          HD23      LEU  80   6.331  -1.171   0.363
  640    H    GLU  81           H        GLU  81   9.918   0.200   0.866
  641    HA   GLU  81           HA       GLU  81  12.480   0.604   2.262
  642   1HB   GLU  81          HB2       GLU  81  11.076   2.159   0.024
  643   2HB   GLU  81          HB3       GLU  81  12.702   2.456   0.611
  644   1HG   GLU  81          HG2       GLU  81  11.733  -0.009  -0.880
  645   2HG   GLU  81          HG3       GLU  81  12.763   1.263  -1.502
  646    H    GLY  82           H        GLY  82   9.202   1.980   1.957
  647   1HA   GLY  82          HA2       GLY  82   8.086   3.600   3.113
  648   2HA   GLY  82          HA3       GLY  82   9.278   3.460   4.418
  649    H    HIS  83           H        HIS  83  10.504   4.189   1.235
  650    HA   HIS  83           HA       HIS  83  11.560   6.764   2.139
  651   1HB   HIS  83          HB2       HIS  83  11.905   5.001  -0.317
  652   2HB   HIS  83          HB3       HIS  83  12.510   6.645  -0.289
  653    HD1  HIS  83           HD1      HIS  83  12.884   4.151   2.704
  654    HD2  HIS  83           HD2      HIS  83  15.059   6.259  -0.234
  655    HE1  HIS  83           HE1      HIS  83  15.337   3.852   3.273
  656    H    HIS  84           H        HIS  84  11.443   8.628   0.593
  657    HA   HIS  84           HA       HIS  84   8.767   8.948  -0.685
  658   1HB   HIS  84          HB2       HIS  84   8.735  11.222   0.249
  659   2HB   HIS  84          HB3       HIS  84   8.821  10.012   1.519
  660    HD1  HIS  84           HD1      HIS  84  10.999  10.095   3.091
  661    HD2  HIS  84           HD2      HIS  84  11.026  12.704  -0.215
  662    HE1  HIS  84           HE1      HIS  84  13.024  11.605   3.387
  663    H    ARG  85           H        ARG  85  11.775   8.466  -1.629
  664    HA   ARG  85           HA       ARG  85  11.775  10.405  -3.816
  665   1HB   ARG  85          HB2       ARG  85  14.072  11.148  -3.351
  666   2HB   ARG  85          HB3       ARG  85  12.986  11.605  -2.044
  667   1HG   ARG  85          HG2       ARG  85  13.832   9.667  -0.680
  668   2HG   ARG  85          HG3       ARG  85  14.915   9.232  -2.009
  669   1HD   ARG  85          HD2       ARG  85  16.182  10.443  -0.378
  670   2HD   ARG  85          HD3       ARG  85  16.008  11.459  -1.821
  671    HE   ARG  85           HE       ARG  85  13.976  11.893   0.256
  672   1HH1  ARG  85          HH21      ARG  85  17.208  12.904  -0.836
  673   2HH1  ARG  85          HH22      ARG  85  17.143  14.426  -0.027
  674   1HH2  ARG  85          HH11      ARG  85  13.885  13.840   1.301
  675   2HH2  ARG  85          HH12      ARG  85  15.189  14.989   1.236
  676    H    PHE  86           H        PHE  86  13.764   9.807  -5.274
  677    HA   PHE  86           HA       PHE  86  14.116   6.862  -5.263
  678   1HB   PHE  86          HB2       PHE  86  12.507   8.101  -7.032
  679   2HB   PHE  86          HB3       PHE  86  14.030   8.377  -7.851
  680    HD1  PHE  86           HD1      PHE  86  15.477   6.277  -8.445
  681    HD2  PHE  86           HD2      PHE  86  11.394   6.034  -7.087
  682    HE1  PHE  86           HE1      PHE  86  15.293   3.992  -9.377
  683    HE2  PHE  86           HE2      PHE  86  11.240   3.723  -7.965
  684    HZ   PHE  86           HZ       PHE  86  13.194   2.693  -9.109
  685    H    SER  87           H        SER  87  16.219   6.175  -5.798
  686    HA   SER  87           HA       SER  87  18.297   8.326  -5.861
  687   1HB   SER  87          HB2       SER  87  18.269   5.681  -4.359
  688   2HB   SER  87          HB3       SER  87  19.531   6.924  -4.287
  689    HG   SER  87           HG       SER  87  18.054   7.064  -2.533
  690    H    ILE  88           H        ILE  88  20.354   7.762  -6.751
  691    HA   ILE  88           HA       ILE  88  20.382   5.428  -8.596
  692    HB   ILE  88           HB       ILE  88  21.853   8.056  -9.053
  693   1HG1  ILE  88          HG12      ILE  88  19.211   7.081 -10.184
  694   2HG1  ILE  88          HG13      ILE  88  19.575   8.590  -9.331
  695   1HG2  ILE  88          HG21      ILE  88  22.378   7.121 -11.249
  696   2HG2  ILE  88          HG22      ILE  88  22.917   6.002 -10.006
  697   3HG2  ILE  88          HG23      ILE  88  21.420   5.665 -10.898
  698   1HD1  ILE  88          HD11      ILE  88  19.186   9.096 -11.627
  699   2HD1  ILE  88          HD12      ILE  88  20.914   9.347 -11.291
  700   3HD1  ILE  88          HD13      ILE  88  20.365   7.894 -12.172
  701    H    VAL  89           H        VAL  89  22.083   4.059  -8.159
  702    HA   VAL  89           HA       VAL  89  24.193   4.977  -6.259
  703    HB   VAL  89           HB       VAL  89  22.711   2.318  -6.116
  704   1HG1  VAL  89          HG11      VAL  89  24.682   3.637  -4.204
  705   2HG1  VAL  89          HG12      VAL  89  23.810   2.119  -3.908
  706   3HG1  VAL  89          HG13      VAL  89  24.988   2.204  -5.214
  707   1HG2  VAL  89          HG21      VAL  89  21.687   3.168  -4.012
  708   2HG2  VAL  89          HG22      VAL  89  22.320   4.788  -4.381
  709   3HG2  VAL  89          HG23      VAL  89  21.108   4.021  -5.438
  710    H    TYR  90           H        TYR  90  26.234   4.101  -6.664
  711    HA   TYR  90           HA       TYR  90  26.592   2.282  -8.972
  712   1HB   TYR  90          HB2       TYR  90  28.082   3.963 -10.053
  713   2HB   TYR  90          HB3       TYR  90  26.397   4.423  -9.987
  714    HD1  TYR  90           HD1      TYR  90  29.760   5.117  -8.541
  715    HD2  TYR  90           HD2      TYR  90  25.639   6.381  -8.782
  716    HE1  TYR  90           HE1      TYR  90  30.363   7.276  -7.490
  717    HE2  TYR  90           HE2      TYR  90  26.229   8.537  -7.725
  718    HH   TYR  90           HH       TYR  90  27.936   9.848  -6.827
  719    H    SER  91           H        SER  91  27.362   2.755  -5.860
  720    HA   SER  91           HA       SER  91  29.970   1.422  -6.075
  721   1HB   SER  91          HB2       SER  91  29.490   3.883  -4.330
  722   2HB   SER  91          HB3       SER  91  30.936   2.865  -4.326
  723    HG   SER  91           HG       SER  91  31.213   4.756  -5.609
  Start of MODEL    8
    1   1H    MET   1          H1        MET   1  -0.705   0.757  -0.947
    2   2H    MET   1          H2        MET   1  -0.847  -0.373  -2.127
    3   3H    MET   1          H3        MET   1  -0.661  -0.844  -0.577
    4    HA   MET   1           HA       MET   1   1.358   0.552  -2.206
    5   1HB   MET   1          HB2       MET   1   1.358  -0.277   0.722
    6   2HB   MET   1          HB3       MET   1   2.857  -0.199  -0.191
    7   1HG   MET   1          HG2       MET   1   0.930   2.120   0.164
    8   2HG   MET   1          HG3       MET   1   2.418   1.873   1.063
    9   1HE   MET   1          HE1       MET   1   5.248   2.625  -1.470
   10   2HE   MET   1          HE2       MET   1   4.808   2.225   0.202
   11   3HE   MET   1          HE3       MET   1   4.639   1.004  -1.082
   12    H    LEU   2           H        LEU   2   2.924  -0.722  -3.159
   13    HA   LEU   2           HA       LEU   2   3.221  -3.513  -2.382
   14   1HB   LEU   2          HB2       LEU   2   1.483  -3.494  -4.204
   15   2HB   LEU   2          HB3       LEU   2   2.625  -2.680  -5.260
   16    HG   LEU   2           HG       LEU   2   4.075  -4.681  -5.274
   17   1HD1  LEU   2          HD11      LEU   2   3.569  -5.566  -2.970
   18   2HD1  LEU   2          HD12      LEU   2   1.946  -6.003  -3.530
   19   3HD1  LEU   2          HD13      LEU   2   3.376  -6.785  -4.228
   20   1HD2  LEU   2          HD21      LEU   2   2.581  -6.165  -6.514
   21   2HD2  LEU   2          HD22      LEU   2   1.161  -5.325  -5.852
   22   3HD2  LEU   2          HD23      LEU   2   2.285  -4.472  -6.933
   23    H    GLN   3           H        GLN   3   5.259  -4.339  -3.720
   24    HA   GLN   3           HA       GLN   3   7.271  -2.256  -4.232
   25   1HB   GLN   3          HB2       GLN   3   7.358  -2.532  -1.835
   26   2HB   GLN   3          HB3       GLN   3   7.123  -4.258  -1.981
   27   1HG   GLN   3          HG2       GLN   3   9.494  -4.379  -2.981
   28   2HG   GLN   3          HG3       GLN   3   9.667  -2.687  -2.485
   29   1HE2  GLN   3          HE22      GLN   3  11.241  -3.083  -0.630
   30   2HE2  GLN   3          HE21      GLN   3  10.630  -3.946   0.760
   31    H    TYR   4           H        TYR   4   8.837  -3.061  -5.680
   32    HA   TYR   4           HA       TYR   4   9.087  -5.947  -6.032
   33   1HB   TYR   4          HB2       TYR   4   8.961  -5.862  -8.493
   34   2HB   TYR   4          HB3       TYR   4   7.443  -5.608  -7.694
   35    HD1  TYR   4           HD2      TYR   4  10.213  -3.165  -8.742
   36    HD2  TYR   4           HD1      TYR   4   6.107  -4.468  -9.139
   37    HE1  TYR   4           HE2      TYR   4   9.806  -1.376 -10.369
   38    HE2  TYR   4           HE1      TYR   4   5.727  -2.716 -10.820
   39    HH   TYR   4           HH       TYR   4   6.624  -0.906 -11.959
   40    H    ARG   5           H        ARG   5  10.889  -6.471  -7.506
   41    HA   ARG   5           HA       ARG   5  12.953  -4.365  -7.748
   42   1HB   ARG   5          HB2       ARG   5  13.528  -5.936  -5.832
   43   2HB   ARG   5          HB3       ARG   5  13.457  -7.263  -6.989
   44   1HG   ARG   5          HG2       ARG   5  15.315  -6.081  -8.309
   45   2HG   ARG   5          HG3       ARG   5  15.410  -4.926  -6.967
   46   1HD   ARG   5          HD2       ARG   5  17.113  -6.620  -6.697
   47   2HD   ARG   5          HD3       ARG   5  15.921  -6.810  -5.416
   48    HE   ARG   5           HE       ARG   5  14.888  -8.616  -6.886
   49   1HH1  ARG   5          HH21      ARG   5  18.400  -7.988  -7.236
   50   2HH1  ARG   5          HH22      ARG   5  18.765  -9.671  -7.422
   51   1HH2  ARG   5          HH11      ARG   5  15.341 -10.672  -7.418
   52   2HH2  ARG   5          HH12      ARG   5  16.969 -11.245  -7.622
   53    H    ILE   6           H        ILE   6  13.915  -4.487  -9.849
   54    HA   ILE   6           HA       ILE   6  13.042  -6.697 -11.613
   55    HB   ILE   6           HB       ILE   6  12.715  -3.727 -12.223
   56   1HG1  ILE   6          HG12      ILE   6  10.716  -6.007 -11.893
   57   2HG1  ILE   6          HG13      ILE   6  10.916  -4.625 -10.820
   58   1HG2  ILE   6          HG21      ILE   6  12.185  -6.109 -14.061
   59   2HG2  ILE   6          HG22      ILE   6  11.886  -4.402 -14.440
   60   3HG2  ILE   6          HG23      ILE   6  13.531  -4.965 -14.229
   61   1HD1  ILE   6          HD11      ILE   6   8.952  -4.298 -12.059
   62   2HD1  ILE   6          HD12      ILE   6  10.145  -3.119 -12.654
   63   3HD1  ILE   6          HD13      ILE   6   9.756  -4.577 -13.611
   64    H    ILE   7           H        ILE   7  14.607  -7.251 -13.096
   65    HA   ILE   7           HA       ILE   7  17.199  -5.782 -12.992
   66    HB   ILE   7           HB       ILE   7  16.888  -8.732 -13.637
   67   1HG1  ILE   7          HG12      ILE   7  16.181  -8.548 -11.308
   68   2HG1  ILE   7          HG13      ILE   7  17.735  -9.342 -11.435
   69   1HG2  ILE   7          HG21      ILE   7  19.328  -8.805 -13.191
   70   2HG2  ILE   7          HG22      ILE   7  18.909  -7.733 -14.529
   71   3HG2  ILE   7          HG23      ILE   7  19.326  -7.045 -12.950
   72   1HD1  ILE   7          HD11      ILE   7  17.570  -7.720  -9.543
   73   2HD1  ILE   7          HD12      ILE   7  18.907  -7.358 -10.645
   74   3HD1  ILE   7          HD13      ILE   7  17.409  -6.400 -10.697
   75    H    VAL   8           H        VAL   8  18.078  -5.367 -15.066
   76    HA   VAL   8           HA       VAL   8  16.412  -6.077 -17.426
   77    HB   VAL   8           HB       VAL   8  17.390  -3.266 -16.746
   78   1HG1  VAL   8          HG11      VAL   8  17.158  -3.794 -19.178
   79   2HG1  VAL   8          HG12      VAL   8  15.458  -4.203 -18.912
   80   3HG1  VAL   8          HG13      VAL   8  16.027  -2.548 -18.643
   81   1HG2  VAL   8          HG21      VAL   8  15.559  -3.751 -15.209
   82   2HG2  VAL   8          HG22      VAL   8  14.983  -2.670 -16.476
   83   3HG2  VAL   8          HG23      VAL   8  14.565  -4.397 -16.538
   84    H    ASP   9           H        ASP   9  17.642  -6.491 -19.213
   85    HA   ASP   9           HA       ASP   9  20.573  -6.001 -19.153
   86   1HB   ASP   9          HB2       ASP   9  20.100  -8.284 -18.320
   87   2HB   ASP   9          HB3       ASP   9  19.122  -8.609 -19.757
   88    H    GLY  10           H        GLY  10  21.512  -6.095 -21.296
   89   1HA   GLY  10          HA2       GLY  10  20.896  -6.364 -23.772
   90   2HA   GLY  10          HA3       GLY  10  19.642  -5.171 -23.410
   91    H    ARG  11           H        ARG  11  20.698  -3.739 -24.958
   92    HA   ARG  11           HA       ARG  11  23.173  -2.372 -24.057
   93   1HB   ARG  11          HB2       ARG  11  22.633  -2.379 -26.486
   94   2HB   ARG  11          HB3       ARG  11  21.118  -1.530 -26.155
   95   1HG   ARG  11          HG2       ARG  11  22.435   0.379 -25.171
   96   2HG   ARG  11          HG3       ARG  11  23.922  -0.501 -25.529
   97   1HD   ARG  11          HD2       ARG  11  23.617   1.142 -27.230
   98   2HD   ARG  11          HD3       ARG  11  23.342  -0.433 -27.959
   99    HE   ARG  11           HE       ARG  11  21.231   1.562 -27.160
  100   1HH1  ARG  11          HH11      ARG  11  22.214  -1.080 -29.343
  101   2HH1  ARG  11          HH12      ARG  11  20.851  -0.890 -30.378
  102   1HH2  ARG  11          HH21      ARG  11  19.470   1.779 -28.462
  103   2HH2  ARG  11          HH22      ARG  11  19.227   0.787 -29.870
  104    H    VAL  12           H        VAL  12  22.452  -2.134 -21.848
  105    HA   VAL  12           HA       VAL  12  20.398  -0.001 -21.470
  106    HB   VAL  12           HB       VAL  12  19.477  -1.239 -19.591
  107   1HG1  VAL  12          HG11      VAL  12  18.349  -3.040 -20.819
  108   2HG1  VAL  12          HG12      VAL  12  18.459  -1.578 -21.804
  109   3HG1  VAL  12          HG13      VAL  12  19.523  -2.959 -22.117
  110   1HG2  VAL  12          HG21      VAL  12  20.043  -3.545 -19.096
  111   2HG2  VAL  12          HG22      VAL  12  21.304  -3.562 -20.343
  112   3HG2  VAL  12          HG23      VAL  12  21.482  -2.543 -18.905
  113    H    GLN  13           H        GLN  13  23.569  -0.423 -21.252
  114    HA   GLN  13           HA       GLN  13  23.751   1.614 -19.168
  115   1HB   GLN  13          HB2       GLN  13  25.646  -0.790 -19.264
  116   2HB   GLN  13          HB3       GLN  13  25.908   0.697 -18.350
  117   1HG   GLN  13          HG2       GLN  13  23.620   0.184 -17.221
  118   2HG   GLN  13          HG3       GLN  13  23.831  -1.454 -17.863
  119   1HE2  GLN  13          HE22      GLN  13  25.126  -2.890 -16.503
  120   2HE2  GLN  13          HE21      GLN  13  25.952  -2.264 -15.091
  121    H    GLY  14           H        GLY  14  25.839   2.843 -19.537
  122   1HA   GLY  14          HA2       GLY  14  27.287   3.958 -20.994
  123   2HA   GLY  14          HA3       GLY  14  26.884   2.820 -22.295
  124    H    VAL  15           H        VAL  15  24.211   2.879 -22.523
  125    HA   VAL  15           HA       VAL  15  23.242   5.530 -23.197
  126    HB   VAL  15           HB       VAL  15  21.013   4.380 -23.188
  127   1HG1  VAL  15          HG11      VAL  15  23.195   2.983 -24.806
  128   2HG1  VAL  15          HG12      VAL  15  21.459   2.989 -25.165
  129   3HG1  VAL  15          HG13      VAL  15  22.376   4.500 -25.233
  130   1HG2  VAL  15          HG21      VAL  15  20.829   1.974 -22.989
  131   2HG2  VAL  15          HG22      VAL  15  22.554   1.795 -22.666
  132   3HG2  VAL  15          HG23      VAL  15  21.496   2.599 -21.482
  133    H    GLY  16           H        GLY  16  21.755   6.793 -21.924
  134   1HA   GLY  16          HA2       GLY  16  22.534   6.904 -19.145
  135   2HA   GLY  16          HA3       GLY  16  21.481   8.027 -20.018
  136    H    PHE  17           H        PHE  17  21.023   4.486 -19.575
  137    HA   PHE  17           HA       PHE  17  18.252   4.805 -19.283
  138   1HB   PHE  17          HB2       PHE  17  19.361   2.749 -20.081
  139   2HB   PHE  17          HB3       PHE  17  20.003   2.469 -18.463
  140    HD1  PHE  17           HD2      PHE  17  16.538   3.477 -19.602
  141    HD2  PHE  17           HD1      PHE  17  18.984   0.492 -17.681
  142    HE1  PHE  17           HE2      PHE  17  14.511   2.240 -18.963
  143    HE2  PHE  17           HE1      PHE  17  16.944  -0.783 -17.082
  144    HZ   PHE  17           HZ       PHE  17  14.698   0.073 -17.733
  145    H    ARG  18           H        ARG  18  20.746   4.622 -16.714
  146    HA   ARG  18           HA       ARG  18  19.040   4.379 -14.464
  147   1HB   ARG  18          HB2       ARG  18  21.729   5.682 -14.976
  148   2HB   ARG  18          HB3       ARG  18  20.898   6.042 -13.465
  149   1HG   ARG  18          HG2       ARG  18  20.783   3.737 -12.830
  150   2HG   ARG  18          HG3       ARG  18  21.415   3.187 -14.389
  151   1HD   ARG  18          HD2       ARG  18  22.987   4.990 -12.496
  152   2HD   ARG  18          HD3       ARG  18  23.021   3.237 -12.381
  153    HE   ARG  18           HE       ARG  18  24.174   4.910 -14.525
  154   1HH1  ARG  18          HH21      ARG  18  23.475   1.611 -13.368
  155   2HH1  ARG  18          HH22      ARG  18  24.686   0.888 -14.403
  156   1HH2  ARG  18          HH11      ARG  18  25.779   3.845 -15.873
  157   2HH2  ARG  18          HH12      ARG  18  25.935   2.114 -15.780
  158    H    TYR  19           H        TYR  19  19.858   7.334 -16.350
  159    HA   TYR  19           HA       TYR  19  18.360   9.051 -14.580
  160   1HB   TYR  19          HB2       TYR  19  19.242   9.554 -17.448
  161   2HB   TYR  19          HB3       TYR  19  18.740  10.760 -16.272
  162    HD1  TYR  19           HD2      TYR  19  20.120  10.891 -14.032
  163    HD2  TYR  19           HD1      TYR  19  21.546   8.994 -17.636
  164    HE1  TYR  19           HE2      TYR  19  22.434  11.002 -13.166
  165    HE2  TYR  19           HE1      TYR  19  23.869   9.107 -16.782
  166    HH   TYR  19           HH       TYR  19  24.667  10.493 -13.561
  167    H    PHE  20           H        PHE  20  17.622   7.302 -17.650
  168    HA   PHE  20           HA       PHE  20  15.071   8.439 -18.093
  169   1HB   PHE  20          HB2       PHE  20  16.270   6.967 -19.698
  170   2HB   PHE  20          HB3       PHE  20  15.963   5.577 -18.656
  171    HD1  PHE  20           HD2      PHE  20  14.324   8.126 -20.830
  172    HD2  PHE  20           HD1      PHE  20  13.840   4.457 -18.610
  173    HE1  PHE  20           HE2      PHE  20  12.138   7.734 -21.941
  174    HE2  PHE  20           HE1      PHE  20  11.675   4.055 -19.751
  175    HZ   PHE  20           HZ       PHE  20  10.816   5.694 -21.409
  176    H    VAL  21           H        VAL  21  15.938   5.440 -16.264
  177    HA   VAL  21           HA       VAL  21  13.326   4.898 -15.315
  178    HB   VAL  21           HB       VAL  21  16.060   4.235 -14.138
  179   1HG1  VAL  21          HG11      VAL  21  14.273   3.914 -12.431
  180   2HG1  VAL  21          HG12      VAL  21  13.376   2.900 -13.591
  181   3HG1  VAL  21          HG13      VAL  21  14.948   2.378 -12.970
  182   1HG2  VAL  21          HG21      VAL  21  15.705   3.315 -16.419
  183   2HG2  VAL  21          HG22      VAL  21  15.723   2.032 -15.217
  184   3HG2  VAL  21          HG23      VAL  21  14.180   2.590 -15.900
  185    H    GLN  22           H        GLN  22  15.932   6.990 -13.942
  186    HA   GLN  22           HA       GLN  22  14.654   7.598 -11.527
  187   1HB   GLN  22          HB2       GLN  22  17.045   8.271 -12.377
  188   2HB   GLN  22          HB3       GLN  22  16.275   9.627 -13.150
  189   1HG   GLN  22          HG2       GLN  22  17.077  10.401 -11.044
  190   2HG   GLN  22          HG3       GLN  22  15.317  10.320 -10.913
  191   1HE2  GLN  22          HE22      GLN  22  16.979   7.257 -10.851
  192   2HE2  GLN  22          HE21      GLN  22  16.875   6.975  -9.125
  193    H    MET  23           H        MET  23  14.352   9.271 -14.693
  194    HA   MET  23           HA       MET  23  12.595  11.286 -13.635
  195   1HB   MET  23          HB2       MET  23  13.246  10.413 -16.480
  196   2HB   MET  23          HB3       MET  23  12.299  11.854 -16.062
  197   1HG   MET  23          HG2       MET  23  14.165  12.802 -14.818
  198   2HG   MET  23          HG3       MET  23  15.125  11.348 -15.027
  199   1HE   MET  23          HE1       MET  23  17.166  13.881 -17.136
  200   2HE   MET  23          HE2       MET  23  16.309  14.184 -15.609
  201   3HE   MET  23          HE3       MET  23  17.191  12.658 -15.845
  202    H    GLU  24           H        GLU  24  12.026   8.165 -15.344
  203    HA   GLU  24           HA       GLU  24   9.176   8.585 -15.493
  204   1HB   GLU  24          HB2       GLU  24  10.848   6.047 -15.679
  205   2HB   GLU  24          HB3       GLU  24   9.115   6.127 -15.988
  206   1HG   GLU  24          HG2       GLU  24  11.331   7.463 -17.583
  207   2HG   GLU  24          HG3       GLU  24  10.267   6.167 -18.099
  208    H    ALA  25           H        ALA  25  11.279   7.355 -12.891
  209    HA   ALA  25           HA       ALA  25   9.046   6.418 -11.277
  210   1HB   ALA  25          HB1       ALA  25  10.695   6.441  -9.449
  211   2HB   ALA  25          HB2       ALA  25  11.377   5.654 -10.877
  212   3HB   ALA  25          HB3       ALA  25  11.851   7.312 -10.471
  213    H    ASP  26           H        ASP  26  10.996   9.420 -11.484
  214    HA   ASP  26           HA       ASP  26   9.839  10.758  -9.290
  215   1HB   ASP  26          HB2       ASP  26  11.969  11.424 -10.265
  216   2HB   ASP  26          HB3       ASP  26  11.181  11.857 -11.786
  217    H    LYS  27           H        LYS  27   8.953  10.938 -12.808
  218    HA   LYS  27           HA       LYS  27   6.886  12.834 -12.446
  219   1HB   LYS  27          HB2       LYS  27   6.163  12.350 -14.627
  220   2HB   LYS  27          HB3       LYS  27   7.901  12.141 -14.619
  221   1HG   LYS  27          HG2       LYS  27   7.302  10.322 -15.856
  222   2HG   LYS  27          HG3       LYS  27   7.324   9.589 -14.254
  223   1HD   LYS  27          HD2       LYS  27   4.830   9.871 -14.129
  224   2HD   LYS  27          HD3       LYS  27   4.836  10.600 -15.727
  225   1HE   LYS  27          HE2       LYS  27   5.831   7.771 -15.126
  226   2HE   LYS  27          HE3       LYS  27   4.156   8.159 -15.544
  227   1HZ   LYS  27          HZ1       LYS  27   5.057   9.132 -17.649
  228   2HZ   LYS  27          HZ2       LYS  27   6.521   8.449 -17.292
  229   3HZ   LYS  27          HZ3       LYS  27   5.217   7.516 -17.512
  230    H    ARG  28           H        ARG  28   6.976   9.531 -11.464
  231    HA   ARG  28           HA       ARG  28   4.039   9.523 -11.018
  232   1HB   ARG  28          HB2       ARG  28   5.416   7.715 -12.462
  233   2HB   ARG  28          HB3       ARG  28   5.805   7.067 -10.879
  234   1HG   ARG  28          HG2       ARG  28   3.872   5.887 -11.625
  235   2HG   ARG  28          HG3       ARG  28   3.268   7.041 -10.429
  236   1HD   ARG  28          HD2       ARG  28   2.883   8.599 -12.537
  237   2HD   ARG  28          HD3       ARG  28   3.042   7.101 -13.445
  238    HE   ARG  28           HE       ARG  28   0.991   7.757 -11.351
  239   1HH1  ARG  28          HH21      ARG  28   1.786   5.877 -14.235
  240   2HH1  ARG  28          HH22      ARG  28   0.409   4.837 -14.131
  241   1HH2  ARG  28          HH11      ARG  28  -0.915   6.491 -11.269
  242   2HH2  ARG  28          HH12      ARG  28  -1.185   5.223 -12.412
  243    H    LYS  29           H        LYS  29   6.617  10.518  -9.380
  244    HA   LYS  29           HA       LYS  29   7.418  10.517  -7.294
  245   1HB   LYS  29          HB2       LYS  29   4.452  10.500  -6.629
  246   2HB   LYS  29          HB3       LYS  29   5.753  11.064  -5.569
  247   1HG   LYS  29          HG2       LYS  29   6.394  12.766  -7.292
  248   2HG   LYS  29          HG3       LYS  29   4.989  12.297  -8.256
  249   1HD   LYS  29          HD2       LYS  29   4.899  13.413  -5.423
  250   2HD   LYS  29          HD3       LYS  29   4.599  14.326  -6.911
  251   1HE   LYS  29          HE2       LYS  29   2.678  12.828  -7.441
  252   2HE   LYS  29          HE3       LYS  29   2.951  11.950  -5.930
  253   1HZ   LYS  29          HZ1       LYS  29   1.224  13.610  -5.684
  254   2HZ   LYS  29          HZ2       LYS  29   2.481  14.006  -4.729
  255   3HZ   LYS  29          HZ3       LYS  29   2.225  14.816  -6.125
  256    H    LEU  30           H        LEU  30   7.544   7.901  -8.298
  257    HA   LEU  30           HA       LEU  30   6.764   6.043  -6.146
  258   1HB   LEU  30          HB2       LEU  30   8.589   5.793  -8.568
  259   2HB   LEU  30          HB3       LEU  30   8.360   4.493  -7.405
  260    HG   LEU  30           HG       LEU  30   6.107   5.745  -9.034
  261   1HD1  LEU  30          HD11      LEU  30   6.154   3.642 -10.315
  262   2HD1  LEU  30          HD12      LEU  30   7.677   4.532 -10.471
  263   3HD1  LEU  30          HD13      LEU  30   7.589   3.113  -9.408
  264   1HD2  LEU  30          HD21      LEU  30   4.828   3.711  -8.339
  265   2HD2  LEU  30          HD22      LEU  30   6.157   3.277  -7.249
  266   3HD2  LEU  30          HD23      LEU  30   5.217   4.767  -6.983
  267    H    ALA  31           H        ALA  31   8.554   4.795  -4.996
  268    HA   ALA  31           HA       ALA  31  10.883   6.527  -4.369
  269   1HB   ALA  31          HB1       ALA  31  10.596   6.004  -1.983
  270   2HB   ALA  31          HB2       ALA  31   9.179   6.870  -2.602
  271   3HB   ALA  31          HB3       ALA  31   9.105   5.110  -2.335
  272    H    GLY  32           H        GLY  32  12.791   5.350  -3.765
  273   1HA   GLY  32          HA2       GLY  32  13.486   2.813  -3.395
  274   2HA   GLY  32          HA3       GLY  32  12.744   2.659  -4.986
  275    H    TRP  33           H        TRP  33  14.701   2.083  -6.054
  276    HA   TRP  33           HA       TRP  33  16.445   4.327  -6.662
  277   1HB   TRP  33          HB2       TRP  33  18.532   3.074  -6.123
  278   2HB   TRP  33          HB3       TRP  33  17.591   3.527  -4.722
  279    HD1  TRP  33           HD1      TRP  33  18.229   0.313  -6.839
  280    HE1  TRP  33           HE1      TRP  33  18.174  -1.691  -5.259
  281    HE3  TRP  33           HE3      TRP  33  16.865   2.697  -2.495
  282    HZ2  TRP  33           HZ2      TRP  33  17.820  -2.191  -2.467
  283    HZ3  TRP  33           HZ3      TRP  33  16.688   1.413  -0.382
  284    HH2  TRP  33           HH2      TRP  33  17.177  -1.026  -0.344
  285    H    VAL  34           H        VAL  34  18.040   3.827  -8.360
  286    HA   VAL  34           HA       VAL  34  17.674   1.229  -9.716
  287    HB   VAL  34           HB       VAL  34  16.415   2.715 -11.098
  288   1HG1  VAL  34          HG11      VAL  34  18.834   4.560 -11.273
  289   2HG1  VAL  34          HG12      VAL  34  17.320   4.717 -12.186
  290   3HG1  VAL  34          HG13      VAL  34  17.312   4.905 -10.432
  291   1HG2  VAL  34          HG21      VAL  34  17.930   1.032 -12.186
  292   2HG2  VAL  34          HG22      VAL  34  17.538   2.417 -13.222
  293   3HG2  VAL  34          HG23      VAL  34  19.121   2.304 -12.433
  294    H    LYS  35           H        LYS  35  19.586   0.287 -10.199
  295    HA   LYS  35           HA       LYS  35  22.107   1.746  -9.723
  296   1HB   LYS  35          HB2       LYS  35  22.755   0.040  -8.049
  297   2HB   LYS  35          HB3       LYS  35  21.377   1.019  -7.531
  298   1HG   LYS  35          HG2       LYS  35  19.826  -0.819  -8.162
  299   2HG   LYS  35          HG3       LYS  35  21.203  -1.819  -8.615
  300   1HD   LYS  35          HD2       LYS  35  20.689  -0.646  -5.847
  301   2HD   LYS  35          HD3       LYS  35  20.248  -2.280  -6.333
  302   1HE   LYS  35          HE2       LYS  35  23.079  -1.159  -6.197
  303   2HE   LYS  35          HE3       LYS  35  22.305  -2.210  -5.003
  304   1HZ   LYS  35          HZ1       LYS  35  23.598  -3.589  -6.383
  305   2HZ   LYS  35          HZ2       LYS  35  22.041  -3.859  -6.864
  306   3HZ   LYS  35          HZ3       LYS  35  23.048  -2.918  -7.772
  307    H    ASN  36           H        ASN  36  23.995   0.380 -10.161
  308    HA   ASN  36           HA       ASN  36  23.761  -1.464 -12.443
  309   1HB   ASN  36          HB2       ASN  36  25.752  -0.043 -12.202
  310   2HB   ASN  36          HB3       ASN  36  26.019  -0.631 -10.567
  311   1HD2  ASN  36          HD22      ASN  36  27.354  -2.414 -10.282
  312   2HD2  ASN  36          HD21      ASN  36  27.886  -3.431 -11.622
  313    H    ARG  37           H        ARG  37  24.349  -3.764 -12.228
  314    HA   ARG  37           HA       ARG  37  24.367  -4.871  -9.458
  315   1HB   ARG  37          HB2       ARG  37  22.284  -5.591 -10.425
  316   2HB   ARG  37          HB3       ARG  37  23.031  -5.992 -11.963
  317   1HG   ARG  37          HG2       ARG  37  23.950  -7.964 -11.210
  318   2HG   ARG  37          HG3       ARG  37  24.050  -7.441  -9.528
  319   1HD   ARG  37          HD2       ARG  37  21.380  -7.988 -10.871
  320   2HD   ARG  37          HD3       ARG  37  22.328  -9.270 -10.120
  321    HE   ARG  37           HE       ARG  37  20.754  -7.242  -8.766
  322   1HH1  ARG  37          HH11      ARG  37  23.437  -9.538  -8.287
  323   2HH1  ARG  37          HH12      ARG  37  23.427  -9.363  -6.572
  324   1HH2  ARG  37          HH21      ARG  37  20.818  -6.926  -6.631
  325   2HH2  ARG  37          HH22      ARG  37  21.850  -7.858  -5.561
  326    H    ASP  38           H        ASP  38  26.113  -6.260  -9.115
  327    HA   ASP  38           HA       ASP  38  28.459  -5.618 -10.389
  328   1HB   ASP  38          HB2       ASP  38  28.330  -6.550  -8.144
  329   2HB   ASP  38          HB3       ASP  38  27.787  -8.106  -8.782
  330    H    ASP  39           H        ASP  39  26.328  -8.335 -11.213
  331    HA   ASP  39           HA       ASP  39  28.044  -9.760 -12.966
  332   1HB   ASP  39          HB2       ASP  39  25.917 -10.635 -12.112
  333   2HB   ASP  39          HB3       ASP  39  25.025  -9.398 -13.003
  334    H    GLY  40           H        GLY  40  26.487  -6.674 -13.393
  335   1HA   GLY  40          HA2       GLY  40  27.361  -5.227 -15.077
  336   2HA   GLY  40          HA3       GLY  40  27.285  -6.534 -16.262
  337    H    ARG  41           H        ARG  41  24.479  -6.632 -14.284
  338    HA   ARG  41           HA       ARG  41  22.885  -5.579 -16.547
  339   1HB   ARG  41          HB2       ARG  41  21.891  -6.904 -13.991
  340   2HB   ARG  41          HB3       ARG  41  20.996  -6.615 -15.468
  341   1HG   ARG  41          HG2       ARG  41  23.027  -8.747 -14.885
  342   2HG   ARG  41          HG3       ARG  41  21.388  -8.882 -15.489
  343   1HD   ARG  41          HD2       ARG  41  22.320  -9.251 -17.499
  344   2HD   ARG  41          HD3       ARG  41  22.593  -7.508 -17.570
  345    HE   ARG  41           HE       ARG  41  24.622  -9.278 -16.291
  346   1HH1  ARG  41          HH21      ARG  41  23.756  -7.702 -19.381
  347   2HH1  ARG  41          HH22      ARG  41  25.403  -7.530 -19.879
  348   1HH2  ARG  41          HH11      ARG  41  26.786  -8.955 -16.942
  349   2HH2  ARG  41          HH12      ARG  41  27.130  -8.405 -18.546
  350    H    VAL  42           H        VAL  42  20.773  -4.420 -15.670
  351    HA   VAL  42           HA       VAL  42  21.565  -2.375 -13.631
  352    HB   VAL  42           HB       VAL  42  19.488  -2.218 -15.859
  353   1HG1  VAL  42          HG11      VAL  42  20.160  -0.187 -13.671
  354   2HG1  VAL  42          HG12      VAL  42  19.132   0.128 -15.086
  355   3HG1  VAL  42          HG13      VAL  42  18.617  -1.043 -13.876
  356   1HG2  VAL  42          HG21      VAL  42  20.924  -0.308 -16.606
  357   2HG2  VAL  42          HG22      VAL  42  22.085  -0.697 -15.322
  358   3HG2  VAL  42          HG23      VAL  42  21.786  -1.847 -16.645
  359    H    GLU  43           H        GLU  43  20.119  -2.107 -11.911
  360    HA   GLU  43           HA       GLU  43  18.013  -4.155 -11.525
  361   1HB   GLU  43          HB2       GLU  43  19.877  -5.100 -10.423
  362   2HB   GLU  43          HB3       GLU  43  20.451  -3.551  -9.821
  363   1HG   GLU  43          HG2       GLU  43  18.656  -3.416  -8.194
  364   2HG   GLU  43          HG3       GLU  43  17.842  -4.821  -8.898
  365    H    ILE  44           H        ILE  44  16.230  -3.270 -10.632
  366    HA   ILE  44           HA       ILE  44  16.238  -0.423  -9.750
  367    HB   ILE  44           HB       ILE  44  14.229  -1.957 -11.457
  368   1HG1  ILE  44          HG12      ILE  44  15.828   0.375 -12.541
  369   2HG1  ILE  44          HG13      ILE  44  16.518  -1.239 -12.612
  370   1HG2  ILE  44          HG21      ILE  44  14.321   0.995 -10.700
  371   2HG2  ILE  44          HG22      ILE  44  13.152   0.271 -11.821
  372   3HG2  ILE  44          HG23      ILE  44  13.138  -0.201 -10.127
  373   1HD1  ILE  44          HD11      ILE  44  15.416  -0.814 -14.678
  374   2HD1  ILE  44          HD12      ILE  44  14.553  -2.086 -13.778
  375   3HD1  ILE  44          HD13      ILE  44  13.894  -0.428 -13.848
  376    H    LEU  45           H        LEU  45  14.823  -0.085  -7.958
  377    HA   LEU  45           HA       LEU  45  13.137  -2.336  -7.068
  378   1HB   LEU  45          HB2       LEU  45  15.525  -2.319  -5.977
  379   2HB   LEU  45          HB3       LEU  45  14.944  -0.924  -5.071
  380    HG   LEU  45           HG       LEU  45  13.611  -3.676  -5.151
  381   1HD1  LEU  45          HD11      LEU  45  15.350  -2.457  -2.982
  382   2HD1  LEU  45          HD12      LEU  45  14.611  -4.071  -2.968
  383   3HD1  LEU  45          HD13      LEU  45  15.889  -3.695  -4.138
  384   1HD2  LEU  45          HD21      LEU  45  13.103  -1.260  -3.352
  385   2HD2  LEU  45          HD22      LEU  45  11.947  -2.034  -4.462
  386   3HD2  LEU  45          HD23      LEU  45  12.481  -2.897  -3.038
  387    H    ALA  46           H        ALA  46  11.158  -1.469  -6.527
  388    HA   ALA  46           HA       ALA  46  10.992   1.402  -5.868
  389   1HB   ALA  46          HB1       ALA  46   9.293   1.794  -7.595
  390   2HB   ALA  46          HB2       ALA  46  10.807   1.265  -8.358
  391   3HB   ALA  46          HB3       ALA  46   9.456   0.123  -8.174
  392    H    GLU  47           H        GLU  47   9.118   1.932  -4.770
  393    HA   GLU  47           HA       GLU  47   7.053  -0.143  -4.358
  394   1HB   GLU  47          HB2       GLU  47   6.839   0.532  -2.016
  395   2HB   GLU  47          HB3       GLU  47   8.436  -0.152  -2.336
  396   1HG   GLU  47          HG2       GLU  47   9.437   2.087  -2.384
  397   2HG   GLU  47          HG3       GLU  47   7.845   2.846  -2.237
  398    H    GLY  48           H        GLY  48   4.941   0.737  -3.965
  399   1HA   GLY  48          HA2       GLY  48   4.155   3.383  -3.763
  400   2HA   GLY  48          HA3       GLY  48   4.460   3.149  -5.486
  401    HA   PRO  49           HA       PRO  49   0.029   1.759  -4.810
  402   1HB   PRO  49          HB2       PRO  49  -0.119   3.501  -7.264
  403   2HB   PRO  49          HB3       PRO  49  -1.306   3.323  -5.938
  404   1HG   PRO  49          HG2       PRO  49   0.294   5.517  -6.095
  405   2HG   PRO  49          HG3       PRO  49  -0.040   4.744  -4.510
  406   1HD   PRO  49          HD2       PRO  49   2.408   4.440  -6.267
  407   2HD   PRO  49          HD3       PRO  49   2.305   4.680  -4.496
  408    H    GLU  50           H        GLU  50  -0.844   0.071  -6.130
  409    HA   GLU  50           HA       GLU  50   1.068  -1.316  -7.699
  410   1HB   GLU  50          HB2       GLU  50  -0.652  -2.966  -8.072
  411   2HB   GLU  50          HB3       GLU  50  -0.658  -2.435  -6.392
  412   1HG   GLU  50          HG2       GLU  50  -2.620  -0.949  -6.901
  413   2HG   GLU  50          HG3       GLU  50  -2.630  -1.564  -8.554
  414    H    ASN  51           H        ASN  51  -1.551   0.903  -8.727
  415    HA   ASN  51           HA       ASN  51  -1.351   0.193 -11.535
  416   1HB   ASN  51          HB2       ASN  51  -3.347   1.343 -10.699
  417   2HB   ASN  51          HB3       ASN  51  -2.379   2.730 -10.185
  418   1HD2  ASN  51          HD22      ASN  51  -3.530   0.928 -13.080
  419   2HD2  ASN  51          HD21      ASN  51  -3.236   2.232 -14.198
  420    H    ALA  52           H        ALA  52   0.152   2.704  -9.485
  421    HA   ALA  52           HA       ALA  52   1.622   4.031 -11.538
  422   1HB   ALA  52          HB1       ALA  52   1.285   5.033  -9.319
  423   2HB   ALA  52          HB2       ALA  52   2.182   3.702  -8.550
  424   3HB   ALA  52          HB3       ALA  52   3.022   4.827  -9.619
  425    H    LEU  53           H        LEU  53   2.459   1.320  -9.333
  426    HA   LEU  53           HA       LEU  53   5.078   0.931 -10.343
  427   1HB   LEU  53          HB2       LEU  53   3.084  -0.793  -8.849
  428   2HB   LEU  53          HB3       LEU  53   4.614  -1.464  -9.361
  429    HG   LEU  53           HG       LEU  53   4.388   1.009  -7.600
  430   1HD1  LEU  53          HD11      LEU  53   3.498  -0.923  -6.447
  431   2HD1  LEU  53          HD12      LEU  53   4.901  -1.921  -6.917
  432   3HD1  LEU  53          HD13      LEU  53   5.100  -0.558  -5.802
  433   1HD2  LEU  53          HD21      LEU  53   6.563   0.890  -8.823
  434   2HD2  LEU  53          HD22      LEU  53   6.761   0.612  -7.096
  435   3HD2  LEU  53          HD23      LEU  53   6.799  -0.762  -8.216
  436    H    GLN  54           H        GLN  54   1.970  -0.671 -11.381
  437    HA   GLN  54           HA       GLN  54   3.265  -2.355 -13.296
  438   1HB   GLN  54          HB2       GLN  54   0.444  -1.264 -13.051
  439   2HB   GLN  54          HB3       GLN  54   0.923  -2.324 -14.383
  440   1HG   GLN  54          HG2       GLN  54   1.493  -4.131 -12.916
  441   2HG   GLN  54          HG3       GLN  54   1.390  -3.115 -11.481
  442   1HE2  GLN  54          HE22      GLN  54  -0.711  -2.282 -10.837
  443   2HE2  GLN  54          HE21      GLN  54  -2.175  -3.185 -11.224
  444    H    SER  55           H        SER  55   1.897   0.951 -13.617
  445    HA   SER  55           HA       SER  55   2.451   1.310 -16.386
  446   1HB   SER  55          HB2       SER  55   2.614   3.408 -14.189
  447   2HB   SER  55          HB3       SER  55   2.316   3.680 -15.910
  448    HG   SER  55           HG       SER  55   0.610   2.368 -14.026
  449    H    PHE  56           H        PHE  56   4.501   1.740 -13.462
  450    HA   PHE  56           HA       PHE  56   6.747   2.695 -14.915
  451   1HB   PHE  56          HB2       PHE  56   6.273   3.134 -12.551
  452   2HB   PHE  56          HB3       PHE  56   6.587   1.455 -12.153
  453    HD1  PHE  56           HD2      PHE  56   8.272   4.253 -14.061
  454    HD2  PHE  56           HD1      PHE  56   8.653   1.160 -11.076
  455    HE1  PHE  56           HE2      PHE  56  10.668   4.844 -13.712
  456    HE2  PHE  56           HE1      PHE  56  11.011   1.796 -10.705
  457    HZ   PHE  56           HZ       PHE  56  12.002   3.666 -11.994
  458    H    VAL  57           H        VAL  57   5.643  -0.682 -14.188
  459    HA   VAL  57           HA       VAL  57   8.079  -1.881 -15.149
  460    HB   VAL  57           HB       VAL  57   5.289  -3.063 -15.505
  461   1HG1  VAL  57          HG11      VAL  57   6.530  -5.216 -15.525
  462   2HG1  VAL  57          HG12      VAL  57   7.038  -4.170 -16.849
  463   3HG1  VAL  57          HG13      VAL  57   8.067  -4.326 -15.413
  464   1HG2  VAL  57          HG21      VAL  57   5.546  -2.701 -13.138
  465   2HG2  VAL  57          HG22      VAL  57   5.840  -4.403 -13.442
  466   3HG2  VAL  57          HG23      VAL  57   7.214  -3.309 -13.167
  467    H    GLU  58           H        GLU  58   5.047  -0.768 -16.815
  468    HA   GLU  58           HA       GLU  58   5.890  -1.576 -19.388
  469   1HB   GLU  58          HB2       GLU  58   4.017   0.678 -18.580
  470   2HB   GLU  58          HB3       GLU  58   4.298   0.166 -20.246
  471   1HG   GLU  58          HG2       GLU  58   3.574  -2.137 -19.665
  472   2HG   GLU  58          HG3       GLU  58   3.222  -1.614 -18.019
  473    H    ALA  59           H        ALA  59   6.574   1.468 -17.621
  474    HA   ALA  59           HA       ALA  59   8.064   2.682 -19.714
  475   1HB   ALA  59          HB1       ALA  59   8.411   3.008 -16.702
  476   2HB   ALA  59          HB2       ALA  59   9.014   4.100 -17.958
  477   3HB   ALA  59          HB3       ALA  59   7.266   3.911 -17.722
  478    H    VAL  60           H        VAL  60   9.148   0.600 -16.961
  479    HA   VAL  60           HA       VAL  60  11.906   0.791 -17.541
  480    HB   VAL  60           HB       VAL  60  10.162  -1.045 -15.878
  481   1HG1  VAL  60          HG11      VAL  60  11.983  -2.527 -16.489
  482   2HG1  VAL  60          HG12      VAL  60  13.176  -1.257 -16.132
  483   3HG1  VAL  60          HG13      VAL  60  12.202  -1.982 -14.827
  484   1HG2  VAL  60          HG21      VAL  60  11.252   0.115 -14.018
  485   2HG2  VAL  60          HG22      VAL  60  12.356   0.951 -15.133
  486   3HG2  VAL  60          HG23      VAL  60  10.629   1.328 -15.136
  487    H    LYS  61           H        LYS  61   9.513  -1.764 -18.493
  488    HA   LYS  61           HA       LYS  61  11.499  -3.485 -19.546
  489   1HB   LYS  61          HB2       LYS  61   9.748  -4.783 -20.458
  490   2HB   LYS  61          HB3       LYS  61   9.187  -4.156 -18.908
  491   1HG   LYS  61          HG2       LYS  61   7.844  -2.429 -20.131
  492   2HG   LYS  61          HG3       LYS  61   8.401  -3.110 -21.670
  493   1HD   LYS  61          HD2       LYS  61   7.413  -5.322 -20.989
  494   2HD   LYS  61          HD3       LYS  61   6.737  -4.531 -19.548
  495   1HE   LYS  61          HE2       LYS  61   5.476  -2.961 -21.020
  496   2HE   LYS  61          HE3       LYS  61   6.180  -3.729 -22.446
  497   1HZ   LYS  61          HZ1       LYS  61   3.967  -4.576 -21.990
  498   2HZ   LYS  61          HZ2       LYS  61   5.048  -5.781 -21.833
  499   3HZ   LYS  61          HZ3       LYS  61   4.396  -5.088 -20.504
  500    H    ASN  62           H        ASN  62  10.085  -0.605 -20.966
  501    HA   ASN  62           HA       ASN  62  10.705  -1.169 -23.722
  502   1HB   ASN  62          HB2       ASN  62   9.169   0.668 -22.960
  503   2HB   ASN  62          HB3       ASN  62  10.558   1.525 -22.281
  504   1HD2  ASN  62          HD22      ASN  62  11.870   2.746 -23.635
  505   2HD2  ASN  62          HD21      ASN  62  11.574   2.917 -25.360
  506    H    GLY  63           H        GLY  63  12.646  -0.165 -20.944
  507   1HA   GLY  63          HA2       GLY  63  14.865   0.501 -20.776
  508   2HA   GLY  63          HA3       GLY  63  15.088   0.288 -22.513
  509    H    SER  64           H        SER  64  16.145   2.611 -21.891
  510    HA   SER  64           HA       SER  64  14.191   4.770 -22.248
  511   1HB   SER  64          HB2       SER  64  16.128   6.138 -22.796
  512   2HB   SER  64          HB3       SER  64  16.424   5.234 -21.303
  513    HG   SER  64           HG       SER  64  18.221   5.124 -22.658
  514    HA   PRO  65           HA       PRO  65  13.723   4.285 -26.766
  515   1HB   PRO  65          HB2       PRO  65  14.680   7.161 -26.713
  516   2HB   PRO  65          HB3       PRO  65  13.410   6.425 -27.743
  517   1HG   PRO  65          HG2       PRO  65  12.716   7.802 -25.513
  518   2HG   PRO  65          HG3       PRO  65  11.907   6.248 -25.892
  519   1HD   PRO  65          HD2       PRO  65  14.063   6.796 -23.862
  520   2HD   PRO  65          HD3       PRO  65  12.675   5.657 -23.783
  521    H    PHE  66           H        PHE  66  16.734   5.509 -25.270
  522    HA   PHE  66           HA       PHE  66  18.350   5.031 -27.667
  523   1HB   PHE  66          HB2       PHE  66  19.238   5.564 -24.810
  524   2HB   PHE  66          HB3       PHE  66  20.204   5.707 -26.267
  525    HD1  PHE  66           HD2      PHE  66  19.443   7.462 -28.055
  526    HD2  PHE  66           HD1      PHE  66  18.071   7.461 -23.962
  527    HE1  PHE  66           HE2      PHE  66  18.764   9.840 -28.277
  528    HE2  PHE  66           HE1      PHE  66  17.392   9.836 -24.191
  529    HZ   PHE  66           HZ       PHE  66  17.736  11.030 -26.348
  530    H    SER  67           H        SER  67  17.285   3.205 -24.846
  531    HA   SER  67           HA       SER  67  19.493   1.327 -24.790
  532   1HB   SER  67          HB2       SER  67  16.678   1.175 -23.643
  533   2HB   SER  67          HB3       SER  67  18.016   0.112 -23.219
  534    HG   SER  67           HG       SER  67  17.998   2.942 -22.806
  535    H    LYS  68           H        LYS  68  19.012  -1.041 -24.996
  536    HA   LYS  68           HA       LYS  68  16.751  -1.817 -26.701
  537   1HB   LYS  68          HB2       LYS  68  18.694  -1.436 -28.245
  538   2HB   LYS  68          HB3       LYS  68  19.584  -2.716 -27.433
  539   1HG   LYS  68          HG2       LYS  68  16.841  -3.125 -28.697
  540   2HG   LYS  68          HG3       LYS  68  18.345  -3.231 -29.615
  541   1HD   LYS  68          HD2       LYS  68  19.118  -5.087 -28.112
  542   2HD   LYS  68          HD3       LYS  68  17.566  -5.012 -27.277
  543   1HE   LYS  68          HE2       LYS  68  17.412  -6.805 -28.823
  544   2HE   LYS  68          HE3       LYS  68  16.377  -5.502 -29.405
  545   1HZ   LYS  68          HZ1       LYS  68  18.116  -4.934 -31.008
  546   2HZ   LYS  68          HZ2       LYS  68  19.090  -6.123 -30.441
  547   3HZ   LYS  68          HZ3       LYS  68  17.688  -6.493 -31.180
  548    H    VAL  69           H        VAL  69  15.912  -2.627 -24.762
  549    HA   VAL  69           HA       VAL  69  17.343  -4.364 -22.963
  550    HB   VAL  69           HB       VAL  69  14.354  -4.034 -23.506
  551   1HG1  VAL  69          HG11      VAL  69  15.770  -5.328 -21.127
  552   2HG1  VAL  69          HG12      VAL  69  14.033  -4.961 -21.230
  553   3HG1  VAL  69          HG13      VAL  69  14.741  -6.152 -22.315
  554   1HG2  VAL  69          HG21      VAL  69  16.126  -2.756 -21.379
  555   2HG2  VAL  69          HG22      VAL  69  15.368  -1.927 -22.752
  556   3HG2  VAL  69          HG23      VAL  69  14.364  -2.616 -21.473
  557    H    THR  70           H        THR  70  17.700  -6.562 -23.147
  558    HA   THR  70           HA       THR  70  16.449  -8.014 -25.434
  559    HB   THR  70           HB       THR  70  18.390  -9.567 -25.130
  560    HG1  THR  70           HG1      THR  70  20.028  -9.000 -23.808
  561   1HG2  THR  70          HG21      THR  70  19.164  -6.661 -25.687
  562   2HG2  THR  70          HG22      THR  70  20.055  -8.108 -26.208
  563   3HG2  THR  70          HG23      THR  70  18.440  -7.785 -26.859
  564    H    ASP  71           H        ASP  71  16.842  -7.891 -21.884
  565    HA   ASP  71           HA       ASP  71  14.748  -9.917 -21.568
  566   1HB   ASP  71          HB2       ASP  71  16.815 -11.285 -21.798
  567   2HB   ASP  71          HB3       ASP  71  17.592 -10.331 -20.535
  568    H    ILE  72           H        ILE  72  13.780  -9.774 -19.505
  569    HA   ILE  72           HA       ILE  72  15.028  -8.047 -17.478
  570    HB   ILE  72           HB       ILE  72  13.011  -6.926 -16.925
  571   1HG1  ILE  72          HG12      ILE  72  11.516  -8.660 -18.940
  572   2HG1  ILE  72          HG13      ILE  72  11.400  -8.779 -17.182
  573   1HG2  ILE  72          HG21      ILE  72  12.606  -5.567 -18.845
  574   2HG2  ILE  72          HG22      ILE  72  14.283  -6.111 -18.923
  575   3HG2  ILE  72          HG23      ILE  72  13.062  -6.886 -19.953
  576   1HD1  ILE  72          HD11      ILE  72  10.523  -6.436 -17.099
  577   2HD1  ILE  72          HD12      ILE  72  10.459  -6.454 -18.880
  578   3HD1  ILE  72          HD13      ILE  72   9.480  -7.593 -17.950
  579    H    SER  73           H        SER  73  14.228  -8.554 -15.271
  580    HA   SER  73           HA       SER  73  12.818 -11.131 -14.891
  581   1HB   SER  73          HB2       SER  73  15.419 -10.450 -13.458
  582   2HB   SER  73          HB3       SER  73  14.481 -11.940 -13.319
  583    HG   SER  73           HG       SER  73  14.994 -12.349 -15.537
  584    H    VAL  74           H        VAL  74  11.957 -11.245 -12.605
  585    HA   VAL  74           HA       VAL  74  11.675  -8.568 -11.347
  586    HB   VAL  74           HB       VAL  74   9.375 -10.387 -12.179
  587   1HG1  VAL  74          HG11      VAL  74   9.380  -7.609 -10.915
  588   2HG1  VAL  74          HG12      VAL  74   7.945  -8.420 -11.578
  589   3HG1  VAL  74          HG13      VAL  74   8.777  -9.112 -10.192
  590   1HG2  VAL  74          HG21      VAL  74  10.312  -7.772 -13.431
  591   2HG2  VAL  74          HG22      VAL  74  10.245  -9.371 -14.205
  592   3HG2  VAL  74          HG23      VAL  74   8.752  -8.552 -13.767
  593    H    THR  75           H        THR  75  11.167  -8.599  -9.180
  594    HA   THR  75           HA       THR  75  10.644 -11.137  -7.758
  595    HB   THR  75           HB       THR  75  12.230  -8.976  -6.389
  596    HG1  THR  75           HG1      THR  75  13.267  -9.673  -8.497
  597   1HG2  THR  75          HG21      THR  75  12.335 -12.009  -6.202
  598   2HG2  THR  75          HG22      THR  75  13.229 -10.861  -5.176
  599   3HG2  THR  75          HG23      THR  75  11.460 -10.913  -5.104
  600    H    GLU  76           H        GLU  76   9.097 -10.656  -5.951
  601    HA   GLU  76           HA       GLU  76   8.018  -7.878  -5.887
  602   1HB   GLU  76          HB2       GLU  76   6.405 -10.443  -6.206
  603   2HB   GLU  76          HB3       GLU  76   5.733  -8.856  -5.810
  604   1HG   GLU  76          HG2       GLU  76   6.615  -7.949  -7.957
  605   2HG   GLU  76          HG3       GLU  76   7.225  -9.553  -8.376
  606    H    SER  77           H        SER  77   7.007  -7.364  -3.833
  607    HA   SER  77           HA       SER  77   7.141  -9.244  -1.604
  608   1HB   SER  77          HB2       SER  77   9.134  -6.953  -1.966
  609   2HB   SER  77          HB3       SER  77   8.811  -7.713  -0.394
  610    HG   SER  77           HG       SER  77   9.336  -9.438  -2.490
  611    H    ARG  78           H        ARG  78   6.532  -8.064   0.449
  612    HA   ARG  78           HA       ARG  78   5.545  -5.347   0.131
  613   1HB   ARG  78          HB2       ARG  78   3.520  -6.726  -0.326
  614   2HB   ARG  78          HB3       ARG  78   3.662  -7.448   1.284
  615   1HG   ARG  78          HG2       ARG  78   3.397  -5.217   2.318
  616   2HG   ARG  78          HG3       ARG  78   3.394  -4.446   0.726
  617   1HD   ARG  78          HD2       ARG  78   1.327  -6.550   1.451
  618   2HD   ARG  78          HD3       ARG  78   1.153  -4.886   1.994
  619    HE   ARG  78           HE       ARG  78   1.185  -4.104  -0.303
  620   1HH1  ARG  78          HH21      ARG  78   0.421  -7.564   0.076
  621   2HH1  ARG  78          HH22      ARG  78  -0.509  -7.634  -1.373
  622   1HH2  ARG  78          HH11      ARG  78   0.002  -4.184  -2.127
  623   2HH2  ARG  78          HH12      ARG  78  -0.779  -5.638  -2.677
  624    H    SER  79           H        SER  79   7.738  -5.556   1.071
  625    HA   SER  79           HA       SER  79   7.731  -5.638   4.038
  626   1HB   SER  79          HB2       SER  79   9.861  -6.815   2.192
  627   2HB   SER  79          HB3       SER  79   9.890  -6.789   3.966
  628    HG   SER  79           HG       SER  79   9.183  -8.803   3.136
  629    H    LEU  80           H        LEU  80   7.205  -3.414   3.272
  630    HA   LEU  80           HA       LEU  80   8.354  -2.113   1.201
  631   1HB   LEU  80          HB2       LEU  80   7.088  -0.936   3.715
  632   2HB   LEU  80          HB3       LEU  80   7.463   0.002   2.303
  633    HG   LEU  80           HG       LEU  80   5.205  -0.373   2.119
  634   1HD1  LEU  80          HD11      LEU  80   4.830  -1.675   0.113
  635   2HD1  LEU  80          HD12      LEU  80   6.397  -0.862  -0.018
  636   3HD1  LEU  80          HD13      LEU  80   6.321  -2.598   0.362
  637   1HD2  LEU  80          HD21      LEU  80   3.995  -2.413   2.396
  638   2HD2  LEU  80          HD22      LEU  80   5.472  -3.370   2.562
  639   3HD2  LEU  80          HD23      LEU  80   5.017  -2.192   3.819
  640    H    GLU  81           H        GLU  81   9.653  -0.303   0.895
  641    HA   GLU  81           HA       GLU  81  12.180  -0.253   2.395
  642   1HB   GLU  81          HB2       GLU  81  11.203   1.603   0.175
  643   2HB   GLU  81          HB3       GLU  81  12.839   1.424   0.762
  644   1HG   GLU  81          HG2       GLU  81  11.248  -0.610  -0.836
  645   2HG   GLU  81          HG3       GLU  81  12.593   0.363  -1.399
  646    H    GLY  82           H        GLY  82   9.142   1.563   2.049
  647   1HA   GLY  82          HA2       GLY  82   8.193   3.220   3.298
  648   2HA   GLY  82          HA3       GLY  82   9.341   2.872   4.605
  649    H    HIS  83           H        HIS  83  10.115   3.848   1.259
  650    HA   HIS  83           HA       HIS  83  11.852   6.036   2.273
  651   1HB   HIS  83          HB2       HIS  83  11.623   4.467  -0.319
  652   2HB   HIS  83          HB3       HIS  83  12.447   6.015  -0.273
  653    HD1  HIS  83           HD1      HIS  83  12.891   3.417   2.591
  654    HD2  HIS  83           HD2      HIS  83  14.865   5.131  -0.721
  655    HE1  HIS  83           HE1      HIS  83  15.325   2.720   2.765
  656    H    HIS  84           H        HIS  84  11.799   8.073   0.951
  657    HA   HIS  84           HA       HIS  84   9.053   8.809   0.027
  658   1HB   HIS  84          HB2       HIS  84  10.922  10.410   1.823
  659   2HB   HIS  84          HB3       HIS  84   9.409  11.000   1.150
  660    HD1  HIS  84           HD1      HIS  84   8.241   7.781   2.087
  661    HD2  HIS  84           HD2      HIS  84   9.609  11.162   4.191
  662    HE1  HIS  84           HE1      HIS  84   7.212   7.640   4.416
  663    H    ARG  85           H        ARG  85  11.928   8.193  -1.253
  664    HA   ARG  85           HA       ARG  85  11.693  10.253  -3.308
  665   1HB   ARG  85          HB2       ARG  85  14.083  10.827  -3.231
  666   2HB   ARG  85          HB3       ARG  85  13.277  11.291  -1.736
  667   1HG   ARG  85          HG2       ARG  85  14.212   9.254  -0.607
  668   2HG   ARG  85          HG3       ARG  85  14.989   8.783  -2.122
  669   1HD   ARG  85          HD2       ARG  85  16.625   9.810  -0.721
  670   2HD   ARG  85          HD3       ARG  85  16.305  10.879  -2.100
  671    HE   ARG  85           HE       ARG  85  14.651  11.562   0.157
  672   1HH1  ARG  85          HH11      ARG  85  17.996  11.856  -0.991
  673   2HH1  ARG  85          HH12      ARG  85  18.338  13.279  -0.080
  674   1HH2  ARG  85          HH21      ARG  85  15.099  13.467   1.370
  675   2HH2  ARG  85          HH22      ARG  85  16.651  14.210   1.295
  676    H    PHE  86           H        PHE  86  13.026   9.626  -5.205
  677    HA   PHE  86           HA       PHE  86  13.616   6.723  -5.302
  678   1HB   PHE  86          HB2       PHE  86  11.928   7.850  -6.968
  679   2HB   PHE  86          HB3       PHE  86  13.371   8.478  -7.740
  680    HD1  PHE  86           HD2      PHE  86  11.749   5.306  -6.542
  681    HD2  PHE  86           HD1      PHE  86  14.430   7.107  -9.336
  682    HE1  PHE  86           HE2      PHE  86  12.106   3.090  -7.602
  683    HE2  PHE  86           HE1      PHE  86  14.822   4.896 -10.413
  684    HZ   PHE  86           HZ       PHE  86  13.653   2.878  -9.534
  685    H    SER  87           H        SER  87  15.737   6.173  -6.217
  686    HA   SER  87           HA       SER  87  17.758   8.372  -6.013
  687   1HB   SER  87          HB2       SER  87  18.264   5.618  -4.930
  688   2HB   SER  87          HB3       SER  87  18.928   7.165  -4.415
  689    HG   SER  87           HG       SER  87  16.329   6.102  -3.943
  690    H    ILE  88           H        ILE  88  19.903   7.857  -6.911
  691    HA   ILE  88           HA       ILE  88  19.928   5.679  -8.938
  692    HB   ILE  88           HB       ILE  88  21.570   8.238  -9.138
  693   1HG1  ILE  88          HG12      ILE  88  19.124   7.498 -10.775
  694   2HG1  ILE  88          HG13      ILE  88  19.179   8.775  -9.536
  695   1HG2  ILE  88          HG21      ILE  88  21.051   5.925 -11.074
  696   2HG2  ILE  88          HG22      ILE  88  22.022   7.360 -11.454
  697   3HG2  ILE  88          HG23      ILE  88  22.580   6.252 -10.225
  698   1HD1  ILE  88          HD11      ILE  88  19.300   9.852 -11.648
  699   2HD1  ILE  88          HD12      ILE  88  20.926   9.940 -10.943
  700   3HD1  ILE  88          HD13      ILE  88  20.552   8.771 -12.239
  701    H    VAL  89           H        VAL  89  21.686   4.326  -8.766
  702    HA   VAL  89           HA       VAL  89  24.003   5.150  -7.131
  703    HB   VAL  89           HB       VAL  89  23.228   2.257  -7.027
  704   1HG1  VAL  89          HG11      VAL  89  25.352   3.035  -6.044
  705   2HG1  VAL  89          HG12      VAL  89  24.460   4.142  -4.978
  706   3HG1  VAL  89          HG13      VAL  89  24.279   2.384  -4.806
  707   1HG2  VAL  89          HG21      VAL  89  21.887   4.271  -5.172
  708   2HG2  VAL  89          HG22      VAL  89  21.064   3.216  -6.348
  709   3HG2  VAL  89          HG23      VAL  89  21.891   2.508  -4.963
  710    H    TYR  90           H        TYR  90  25.979   3.882  -7.863
  711    HA   TYR  90           HA       TYR  90  25.762   3.289 -10.783
  712   1HB   TYR  90          HB2       TYR  90  27.824   4.977  -9.329
  713   2HB   TYR  90          HB3       TYR  90  27.791   4.644 -11.051
  714    HD1  TYR  90           HD1      TYR  90  25.955   5.565 -12.504
  715    HD2  TYR  90           HD2      TYR  90  26.449   6.746  -8.383
  716    HE1  TYR  90           HE1      TYR  90  24.593   7.596 -12.924
  717    HE2  TYR  90           HE2      TYR  90  25.084   8.766  -8.788
  718    HH   TYR  90           HH       TYR  90  23.913  10.025 -10.360
  719    H    SER  91           H        SER  91  26.315   1.584  -8.124
  720    HA   SER  91           HA       SER  91  28.556   0.018  -9.260
  721   1HB   SER  91          HB2       SER  91  28.332   0.846  -6.334
  722   2HB   SER  91          HB3       SER  91  29.577  -0.180  -7.056
  723    HG   SER  91           HG       SER  91  30.279   2.010  -6.799
  Start of MODEL    9
    1   1H    MET   1          H1        MET   1  -1.243   0.658  -1.905
    2   2H    MET   1          H2        MET   1  -1.245  -0.614  -2.947
    3   3H    MET   1          H3        MET   1  -1.058  -0.883  -1.340
    4    HA   MET   1           HA       MET   1   0.834   0.400  -3.178
    5   1HB   MET   1          HB2       MET   1   0.854   0.296  -0.141
    6   2HB   MET   1          HB3       MET   1   2.359   0.319  -1.055
    7   1HG   MET   1          HG2       MET   1   1.725   2.552  -0.333
    8   2HG   MET   1          HG3       MET   1   1.858   2.419  -2.078
    9   1HE   MET   1          HE1       MET   1  -0.794   5.249  -1.543
   10   2HE   MET   1          HE2       MET   1   0.544   4.880  -0.435
   11   3HE   MET   1          HE3       MET   1   0.805   4.823  -2.191
   12    H    LEU   2           H        LEU   2   2.763  -0.810  -3.520
   13    HA   LEU   2           HA       LEU   2   3.026  -3.515  -2.474
   14   1HB   LEU   2          HB2       LEU   2   1.477  -3.723  -4.430
   15   2HB   LEU   2          HB3       LEU   2   2.665  -2.934  -5.453
   16    HG   LEU   2           HG       LEU   2   4.168  -4.865  -5.260
   17   1HD1  LEU   2          HD11      LEU   2   3.548  -5.619  -2.912
   18   2HD1  LEU   2          HD12      LEU   2   2.019  -6.217  -3.575
   19   3HD1  LEU   2          HD13      LEU   2   3.556  -6.915  -4.104
   20   1HD2  LEU   2          HD21      LEU   2   2.468  -4.846  -7.013
   21   2HD2  LEU   2          HD22      LEU   2   2.812  -6.494  -6.466
   22   3HD2  LEU   2          HD23      LEU   2   1.323  -5.677  -5.937
   23    H    GLN   3           H        GLN   3   5.196  -4.368  -3.772
   24    HA   GLN   3           HA       GLN   3   7.153  -2.230  -4.236
   25   1HB   GLN   3          HB2       GLN   3   7.250  -2.580  -1.826
   26   2HB   GLN   3          HB3       GLN   3   7.112  -4.311  -2.041
   27   1HG   GLN   3          HG2       GLN   3   9.472  -4.246  -3.097
   28   2HG   GLN   3          HG3       GLN   3   9.557  -2.576  -2.515
   29   1HE2  GLN   3          HE22      GLN   3  11.124  -2.883  -0.664
   30   2HE2  GLN   3          HE21      GLN   3  10.613  -3.880   0.666
   31    H    TYR   4           H        TYR   4   8.888  -3.052  -5.562
   32    HA   TYR   4           HA       TYR   4   9.060  -5.924  -5.996
   33   1HB   TYR   4          HB2       TYR   4   9.031  -5.839  -8.421
   34   2HB   TYR   4          HB3       TYR   4   7.494  -5.444  -7.717
   35    HD1  TYR   4           HD2      TYR   4  10.525  -3.268  -8.654
   36    HD2  TYR   4           HD1      TYR   4   6.327  -4.155  -9.204
   37    HE1  TYR   4           HE2      TYR   4  10.394  -1.527 -10.353
   38    HE2  TYR   4           HE1      TYR   4   6.219  -2.424 -10.960
   39    HH   TYR   4           HH       TYR   4   9.104  -0.613 -12.058
   40    H    ARG   5           H        ARG   5  10.954  -6.489  -7.317
   41    HA   ARG   5           HA       ARG   5  13.030  -4.400  -7.579
   42   1HB   ARG   5          HB2       ARG   5  13.375  -5.960  -5.553
   43   2HB   ARG   5          HB3       ARG   5  13.640  -7.260  -6.715
   44   1HG   ARG   5          HG2       ARG   5  15.628  -6.076  -7.611
   45   2HG   ARG   5          HG3       ARG   5  15.260  -4.667  -6.584
   46   1HD   ARG   5          HD2       ARG   5  15.390  -6.246  -4.572
   47   2HD   ARG   5          HD3       ARG   5  16.052  -7.464  -5.675
   48    HE   ARG   5           HE       ARG   5  17.553  -5.006  -5.852
   49   1HH1  ARG   5          HH21      ARG   5  17.034  -7.698  -3.575
   50   2HH1  ARG   5          HH22      ARG   5  18.569  -7.508  -2.816
   51   1HH2  ARG   5          HH11      ARG   5  19.530  -4.819  -4.963
   52   2HH2  ARG   5          HH12      ARG   5  20.054  -5.788  -3.598
   53    H    ILE   6           H        ILE   6  14.072  -4.598  -9.599
   54    HA   ILE   6           HA       ILE   6  13.169  -6.739 -11.429
   55    HB   ILE   6           HB       ILE   6  12.913  -3.727 -11.836
   56   1HG1  ILE   6          HG12      ILE   6  10.958  -6.038 -11.806
   57   2HG1  ILE   6          HG13      ILE   6  11.041  -4.702 -10.675
   58   1HG2  ILE   6          HG21      ILE   6  13.865  -4.709 -13.919
   59   2HG2  ILE   6          HG22      ILE   6  12.506  -5.854 -13.980
   60   3HG2  ILE   6          HG23      ILE   6  12.237  -4.113 -14.151
   61   1HD1  ILE   6          HD11      ILE   6  10.371  -3.147 -12.557
   62   2HD1  ILE   6          HD12      ILE   6  10.066  -4.596 -13.549
   63   3HD1  ILE   6          HD13      ILE   6   9.150  -4.342 -12.059
   64    H    ILE   7           H        ILE   7  14.686  -7.189 -13.039
   65    HA   ILE   7           HA       ILE   7  17.320  -5.823 -12.847
   66    HB   ILE   7           HB       ILE   7  16.974  -8.797 -13.346
   67   1HG1  ILE   7          HG12      ILE   7  16.222  -8.465 -11.034
   68   2HG1  ILE   7          HG13      ILE   7  17.717  -9.365 -11.135
   69   1HG2  ILE   7          HG21      ILE   7  19.409  -8.860 -12.831
   70   2HG2  ILE   7          HG22      ILE   7  19.005  -7.897 -14.256
   71   3HG2  ILE   7          HG23      ILE   7  19.406  -7.078 -12.736
   72   1HD1  ILE   7          HD11      ILE   7  17.621  -6.397 -10.476
   73   2HD1  ILE   7          HD12      ILE   7  17.642  -7.690  -9.269
   74   3HD1  ILE   7          HD13      ILE   7  19.019  -7.479 -10.367
   75    H    VAL   8           H        VAL   8  18.240  -5.489 -14.935
   76    HA   VAL   8           HA       VAL   8  16.641  -6.401 -17.275
   77    HB   VAL   8           HB       VAL   8  17.667  -3.554 -17.035
   78   1HG1  VAL   8          HG11      VAL   8  15.441  -4.808 -18.703
   79   2HG1  VAL   8          HG12      VAL   8  16.014  -3.128 -18.801
   80   3HG1  VAL   8          HG13      VAL   8  17.079  -4.458 -19.284
   81   1HG2  VAL   8          HG21      VAL   8  14.875  -4.478 -16.236
   82   2HG2  VAL   8          HG22      VAL   8  16.073  -3.678 -15.189
   83   3HG2  VAL   8          HG23      VAL   8  15.349  -2.793 -16.531
   84    H    ASP   9           H        ASP   9  17.877  -6.847 -19.073
   85    HA   ASP   9           HA       ASP   9  20.832  -6.461 -18.905
   86   1HB   ASP   9          HB2       ASP   9  20.151  -8.857 -18.573
   87   2HB   ASP   9          HB3       ASP   9  19.332  -8.800 -20.133
   88    H    GLY  10           H        GLY  10  21.780  -6.210 -21.098
   89   1HA   GLY  10          HA2       GLY  10  21.220  -6.391 -23.543
   90   2HA   GLY  10          HA3       GLY  10  19.887  -5.279 -23.213
   91    H    ARG  11           H        ARG  11  20.860  -3.857 -24.780
   92    HA   ARG  11           HA       ARG  11  23.216  -2.292 -23.881
   93   1HB   ARG  11          HB2       ARG  11  22.773  -2.462 -26.331
   94   2HB   ARG  11          HB3       ARG  11  21.207  -1.673 -26.095
   95   1HG   ARG  11          HG2       ARG  11  22.409   0.332 -25.130
   96   2HG   ARG  11          HG3       ARG  11  23.943  -0.497 -25.409
   97   1HD   ARG  11          HD2       ARG  11  23.628   1.072 -27.175
   98   2HD   ARG  11          HD3       ARG  11  23.436  -0.536 -27.859
   99    HE   ARG  11           HE       ARG  11  21.243   1.419 -27.204
  100   1HH1  ARG  11          HH11      ARG  11  22.347  -1.307 -29.214
  101   2HH1  ARG  11          HH12      ARG  11  21.018  -1.197 -30.303
  102   1HH2  ARG  11          HH21      ARG  11  19.505   1.506 -28.537
  103   2HH2  ARG  11          HH22      ARG  11  19.304   0.428 -29.885
  104    H    VAL  12           H        VAL  12  22.273  -2.193 -21.722
  105    HA   VAL  12           HA       VAL  12  20.244  -0.012 -21.474
  106    HB   VAL  12           HB       VAL  12  19.380  -1.174 -19.477
  107   1HG1  VAL  12          HG11      VAL  12  18.112  -2.900 -20.624
  108   2HG1  VAL  12          HG12      VAL  12  18.273  -1.476 -21.657
  109   3HG1  VAL  12          HG13      VAL  12  19.258  -2.923 -21.970
  110   1HG2  VAL  12          HG21      VAL  12  21.377  -2.555 -18.896
  111   2HG2  VAL  12          HG22      VAL  12  19.884  -3.495 -18.988
  112   3HG2  VAL  12          HG23      VAL  12  21.063  -3.572 -20.307
  113    H    GLN  13           H        GLN  13  23.400  -0.545 -21.256
  114    HA   GLN  13           HA       GLN  13  23.809   1.541 -19.270
  115   1HB   GLN  13          HB2       GLN  13  25.401  -1.078 -19.214
  116   2HB   GLN  13          HB3       GLN  13  25.748   0.380 -18.266
  117   1HG   GLN  13          HG2       GLN  13  23.448   0.171 -17.234
  118   2HG   GLN  13          HG3       GLN  13  23.273  -1.381 -18.062
  119   1HE2  GLN  13          HE22      GLN  13  24.664  -3.200 -17.393
  120   2HE2  GLN  13          HE21      GLN  13  25.171  -3.209 -15.726
  121    H    GLY  14           H        GLY  14  25.966   2.576 -19.777
  122   1HA   GLY  14          HA2       GLY  14  27.245   3.611 -21.404
  123   2HA   GLY  14          HA3       GLY  14  27.006   2.231 -22.492
  124    H    VAL  15           H        VAL  15  24.142   3.541 -21.051
  125    HA   VAL  15           HA       VAL  15  23.490   5.504 -23.089
  126    HB   VAL  15           HB       VAL  15  21.197   4.427 -23.360
  127   1HG1  VAL  15          HG11      VAL  15  22.880   4.412 -25.177
  128   2HG1  VAL  15          HG12      VAL  15  23.477   2.841 -24.600
  129   3HG1  VAL  15          HG13      VAL  15  21.818   2.997 -25.212
  130   1HG2  VAL  15          HG21      VAL  15  20.919   2.033 -23.092
  131   2HG2  VAL  15          HG22      VAL  15  22.573   1.844 -22.497
  132   3HG2  VAL  15          HG23      VAL  15  21.363   2.721 -21.529
  133    H    GLY  16           H        GLY  16  21.565   6.762 -22.233
  134   1HA   GLY  16          HA2       GLY  16  22.040   7.324 -19.470
  135   2HA   GLY  16          HA3       GLY  16  20.888   8.132 -20.539
  136    H    PHE  17           H        PHE  17  20.690   4.630 -19.932
  137    HA   PHE  17           HA       PHE  17  17.917   4.843 -19.499
  138   1HB   PHE  17          HB2       PHE  17  19.044   2.844 -20.402
  139   2HB   PHE  17          HB3       PHE  17  19.796   2.560 -18.836
  140    HD1  PHE  17           HD2      PHE  17  16.224   3.476 -19.693
  141    HD2  PHE  17           HD1      PHE  17  18.899   0.538 -18.037
  142    HE1  PHE  17           HE2      PHE  17  14.295   2.132 -18.999
  143    HE2  PHE  17           HE1      PHE  17  16.955  -0.864 -17.394
  144    HZ   PHE  17           HZ       PHE  17  14.645  -0.089 -17.889
  145    H    ARG  18           H        ARG  18  20.578   4.668 -17.076
  146    HA   ARG  18           HA       ARG  18  18.881   4.194 -14.834
  147   1HB   ARG  18          HB2       ARG  18  21.439   5.856 -14.848
  148   2HB   ARG  18          HB3       ARG  18  20.660   5.113 -13.446
  149   1HG   ARG  18          HG2       ARG  18  21.049   2.840 -14.503
  150   2HG   ARG  18          HG3       ARG  18  21.956   3.658 -15.789
  151   1HD   ARG  18          HD2       ARG  18  23.378   4.683 -13.884
  152   2HD   ARG  18          HD3       ARG  18  22.646   3.471 -12.839
  153    HE   ARG  18           HE       ARG  18  23.561   1.719 -14.314
  154   1HH1  ARG  18          HH11      ARG  18  25.079   4.930 -14.568
  155   2HH1  ARG  18          HH12      ARG  18  26.554   4.329 -15.220
  156   1HH2  ARG  18          HH21      ARG  18  25.521   0.934 -15.234
  157   2HH2  ARG  18          HH22      ARG  18  26.815   2.025 -15.579
  158    H    TYR  19           H        TYR  19  19.695   7.243 -16.524
  159    HA   TYR  19           HA       TYR  19  18.243   8.905 -14.650
  160   1HB   TYR  19          HB2       TYR  19  19.071   9.493 -17.519
  161   2HB   TYR  19          HB3       TYR  19  18.535  10.660 -16.323
  162    HD1  TYR  19           HD2      TYR  19  19.930  10.961 -14.170
  163    HD2  TYR  19           HD1      TYR  19  21.383   8.887 -17.663
  164    HE1  TYR  19           HE2      TYR  19  22.254  11.209 -13.348
  165    HE2  TYR  19           HE1      TYR  19  23.707   9.124 -16.851
  166    HH   TYR  19           HH       TYR  19  25.090   9.939 -15.160
  167    H    PHE  20           H        PHE  20  17.455   7.270 -17.774
  168    HA   PHE  20           HA       PHE  20  14.883   8.367 -18.149
  169   1HB   PHE  20          HB2       PHE  20  16.129   6.872 -19.753
  170   2HB   PHE  20          HB3       PHE  20  15.728   5.494 -18.730
  171    HD1  PHE  20           HD2      PHE  20  14.270   8.113 -20.944
  172    HD2  PHE  20           HD1      PHE  20  13.584   4.440 -18.784
  173    HE1  PHE  20           HE2      PHE  20  12.137   7.781 -22.171
  174    HE2  PHE  20           HE1      PHE  20  11.470   4.101 -20.034
  175    HZ   PHE  20           HZ       PHE  20  10.738   5.772 -21.724
  176    H    VAL  21           H        VAL  21  15.825   5.380 -16.360
  177    HA   VAL  21           HA       VAL  21  13.260   4.791 -15.317
  178    HB   VAL  21           HB       VAL  21  16.060   4.173 -14.283
  179   1HG1  VAL  21          HG11      VAL  21  14.379   3.832 -12.477
  180   2HG1  VAL  21          HG12      VAL  21  13.441   2.788 -13.585
  181   3HG1  VAL  21          HG13      VAL  21  15.055   2.314 -13.050
  182   1HG2  VAL  21          HG21      VAL  21  15.693   1.959 -15.340
  183   2HG2  VAL  21          HG22      VAL  21  14.111   2.502 -15.941
  184   3HG2  VAL  21          HG23      VAL  21  15.595   3.241 -16.540
  185    H    GLN  22           H        GLN  22  15.924   6.844 -13.964
  186    HA   GLN  22           HA       GLN  22  14.737   7.383 -11.495
  187   1HB   GLN  22          HB2       GLN  22  17.089   8.048 -12.344
  188   2HB   GLN  22          HB3       GLN  22  16.349   9.390 -13.161
  189   1HG   GLN  22          HG2       GLN  22  17.188  10.224 -11.096
  190   2HG   GLN  22          HG3       GLN  22  15.423  10.195 -10.943
  191   1HE2  GLN  22          HE22      GLN  22  17.092   7.134 -10.775
  192   2HE2  GLN  22          HE21      GLN  22  16.943   6.896  -9.045
  193    H    MET  23           H        MET  23  14.331   9.161 -14.583
  194    HA   MET  23           HA       MET  23  12.594  11.121 -13.379
  195   1HB   MET  23          HB2       MET  23  13.282  10.458 -16.267
  196   2HB   MET  23          HB3       MET  23  12.326  11.859 -15.771
  197   1HG   MET  23          HG2       MET  23  15.147  11.258 -14.756
  198   2HG   MET  23          HG3       MET  23  14.799  12.324 -16.113
  199   1HE   MET  23          HE1       MET  23  13.746  14.701 -15.931
  200   2HE   MET  23          HE2       MET  23  12.269  14.075 -15.160
  201   3HE   MET  23          HE3       MET  23  13.146  15.431 -14.427
  202    H    GLU  24           H        GLU  24  12.033   8.103 -15.247
  203    HA   GLU  24           HA       GLU  24   9.198   8.481 -15.438
  204   1HB   GLU  24          HB2       GLU  24  10.986   6.027 -15.600
  205   2HB   GLU  24          HB3       GLU  24   9.235   5.935 -15.784
  206   1HG   GLU  24          HG2       GLU  24  11.069   7.623 -17.547
  207   2HG   GLU  24          HG3       GLU  24  10.433   6.035 -17.957
  208    H    ALA  25           H        ALA  25  11.260   7.168 -12.815
  209    HA   ALA  25           HA       ALA  25   9.017   6.261 -11.222
  210   1HB   ALA  25          HB1       ALA  25  10.638   6.256  -9.377
  211   2HB   ALA  25          HB2       ALA  25  11.358   5.507 -10.810
  212   3HB   ALA  25          HB3       ALA  25  11.806   7.158 -10.360
  213    H    ASP  26           H        ASP  26  10.969   9.280 -11.359
  214    HA   ASP  26           HA       ASP  26   9.739  10.564  -9.163
  215   1HB   ASP  26          HB2       ASP  26  11.873  11.315 -10.002
  216   2HB   ASP  26          HB3       ASP  26  11.180  11.694 -11.584
  217    H    LYS  27           H        LYS  27   8.924  10.830 -12.702
  218    HA   LYS  27           HA       LYS  27   6.820  12.686 -12.231
  219   1HB   LYS  27          HB2       LYS  27   6.129  12.339 -14.479
  220   2HB   LYS  27          HB3       LYS  27   7.879  12.315 -14.412
  221   1HG   LYS  27          HG2       LYS  27   7.506  10.604 -15.860
  222   2HG   LYS  27          HG3       LYS  27   7.614   9.707 -14.348
  223   1HD   LYS  27          HD2       LYS  27   5.136   9.570 -14.247
  224   2HD   LYS  27          HD3       LYS  27   5.004  10.542 -15.712
  225   1HE   LYS  27          HE2       LYS  27   6.431   7.848 -15.532
  226   2HE   LYS  27          HE3       LYS  27   4.740   8.036 -16.008
  227   1HZ   LYS  27          HZ1       LYS  27   5.451   9.313 -17.927
  228   2HZ   LYS  27          HZ2       LYS  27   7.045   9.201 -17.472
  229   3HZ   LYS  27          HZ3       LYS  27   6.272   7.879 -17.898
  230    H    ARG  28           H        ARG  28   6.971   9.345 -11.478
  231    HA   ARG  28           HA       ARG  28   4.022   9.199 -11.141
  232   1HB   ARG  28          HB2       ARG  28   5.700   7.434 -12.418
  233   2HB   ARG  28          HB3       ARG  28   5.802   6.802 -10.788
  234   1HG   ARG  28          HG2       ARG  28   4.080   5.605 -11.910
  235   2HG   ARG  28          HG3       ARG  28   3.242   6.699 -10.795
  236   1HD   ARG  28          HD2       ARG  28   2.711   8.237 -12.645
  237   2HD   ARG  28          HD3       ARG  28   3.753   7.317 -13.732
  238    HE   ARG  28           HE       ARG  28   2.089   5.864 -14.150
  239   1HH1  ARG  28          HH21      ARG  28   1.085   7.645 -11.237
  240   2HH1  ARG  28          HH22      ARG  28  -0.423   6.821 -11.104
  241   1HH2  ARG  28          HH11      ARG  28   0.161   4.687 -13.883
  242   2HH2  ARG  28          HH12      ARG  28  -0.944   5.067 -12.615
  243    H    LYS  29           H        LYS  29   6.566  10.239  -9.401
  244    HA   LYS  29           HA       LYS  29   7.355  10.175  -7.317
  245   1HB   LYS  29          HB2       LYS  29   4.369  10.458  -6.835
  246   2HB   LYS  29          HB3       LYS  29   5.572  10.738  -5.577
  247   1HG   LYS  29          HG2       LYS  29   5.598  12.248  -8.222
  248   2HG   LYS  29          HG3       LYS  29   4.731  12.799  -6.793
  249   1HD   LYS  29          HD2       LYS  29   6.745  12.977  -5.490
  250   2HD   LYS  29          HD3       LYS  29   7.738  12.240  -6.749
  251   1HE   LYS  29          HE2       LYS  29   6.149  14.781  -7.246
  252   2HE   LYS  29          HE3       LYS  29   7.753  14.824  -6.508
  253   1HZ   LYS  29          HZ1       LYS  29   7.283  13.503  -9.110
  254   2HZ   LYS  29          HZ2       LYS  29   7.741  15.081  -8.967
  255   3HZ   LYS  29          HZ3       LYS  29   8.712  13.871  -8.435
  256    H    LEU  30           H        LEU  30   7.494   7.657  -8.252
  257    HA   LEU  30           HA       LEU  30   6.707   5.817  -6.066
  258   1HB   LEU  30          HB2       LEU  30   8.499   5.555  -8.515
  259   2HB   LEU  30          HB3       LEU  30   8.350   4.284  -7.308
  260    HG   LEU  30           HG       LEU  30   6.009   5.397  -8.919
  261   1HD1  LEU  30          HD11      LEU  30   7.585   4.209 -10.350
  262   2HD1  LEU  30          HD12      LEU  30   7.596   2.826  -9.238
  263   3HD1  LEU  30          HD13      LEU  30   6.113   3.250 -10.124
  264   1HD2  LEU  30          HD21      LEU  30   6.209   3.055  -6.978
  265   2HD2  LEU  30          HD22      LEU  30   5.164   4.494  -6.852
  266   3HD2  LEU  30          HD23      LEU  30   4.862   3.297  -8.108
  267    H    ALA  31           H        ALA  31   8.507   4.672  -4.866
  268    HA   ALA  31           HA       ALA  31  10.849   6.437  -4.367
  269   1HB   ALA  31          HB1       ALA  31   9.203   6.789  -2.556
  270   2HB   ALA  31          HB2       ALA  31   9.126   5.031  -2.277
  271   3HB   ALA  31          HB3       ALA  31  10.631   5.916  -1.965
  272    H    GLY  32           H        GLY  32  12.795   5.281  -3.830
  273   1HA   GLY  32          HA2       GLY  32  13.470   2.730  -3.401
  274   2HA   GLY  32          HA3       GLY  32  12.724   2.567  -4.987
  275    H    TRP  33           H        TRP  33  14.732   1.933  -6.005
  276    HA   TRP  33           HA       TRP  33  16.538   4.167  -6.531
  277   1HB   TRP  33          HB2       TRP  33  18.571   2.930  -6.078
  278   2HB   TRP  33          HB3       TRP  33  17.628   3.163  -4.632
  279    HD1  TRP  33           HD1      TRP  33  18.371   0.275  -7.167
  280    HE1  TRP  33           HE1      TRP  33  18.557  -1.928  -5.868
  281    HE3  TRP  33           HE3      TRP  33  17.208   1.991  -2.470
  282    HZ2  TRP  33           HZ2      TRP  33  18.504  -2.770  -3.152
  283    HZ3  TRP  33           HZ3      TRP  33  17.367   0.460  -0.527
  284    HH2  TRP  33           HH2      TRP  33  18.030  -1.916  -0.845
  285    H    VAL  34           H        VAL  34  18.019   3.801  -8.299
  286    HA   VAL  34           HA       VAL  34  17.713   1.255  -9.753
  287    HB   VAL  34           HB       VAL  34  16.389   2.711 -11.088
  288   1HG1  VAL  34          HG11      VAL  34  18.699   4.691 -11.201
  289   2HG1  VAL  34          HG12      VAL  34  17.163   4.805 -12.088
  290   3HG1  VAL  34          HG13      VAL  34  17.172   4.909 -10.323
  291   1HG2  VAL  34          HG21      VAL  34  17.975   1.181 -12.283
  292   2HG2  VAL  34          HG22      VAL  34  17.513   2.601 -13.233
  293   3HG2  VAL  34          HG23      VAL  34  19.105   2.536 -12.462
  294    H    LYS  35           H        LYS  35  19.698   0.454 -10.500
  295    HA   LYS  35           HA       LYS  35  22.125   2.071 -10.127
  296   1HB   LYS  35          HB2       LYS  35  23.046   0.569  -8.443
  297   2HB   LYS  35          HB3       LYS  35  21.570   1.340  -7.867
  298   1HG   LYS  35          HG2       LYS  35  20.307  -0.795  -8.435
  299   2HG   LYS  35          HG3       LYS  35  21.866  -1.544  -8.783
  300   1HD   LYS  35          HD2       LYS  35  20.878  -0.457  -6.124
  301   2HD   LYS  35          HD3       LYS  35  21.218  -2.146  -6.548
  302   1HE   LYS  35          HE2       LYS  35  23.633  -1.479  -6.887
  303   2HE   LYS  35          HE3       LYS  35  23.199   0.139  -6.309
  304   1HZ   LYS  35          HZ1       LYS  35  22.514  -0.916  -4.196
  305   2HZ   LYS  35          HZ2       LYS  35  23.106  -2.353  -4.725
  306   3HZ   LYS  35          HZ3       LYS  35  24.110  -1.063  -4.530
  307    H    ASN  36           H        ASN  36  24.071   0.927 -10.725
  308    HA   ASN  36           HA       ASN  36  23.896  -1.164 -12.783
  309   1HB   ASN  36          HB2       ASN  36  25.843   0.312 -12.817
  310   2HB   ASN  36          HB3       ASN  36  26.157   0.029 -11.103
  311   1HD2  ASN  36          HD22      ASN  36  26.053  -1.669 -14.282
  312   2HD2  ASN  36          HD21      ASN  36  27.228  -2.895 -13.827
  313    H    ARG  37           H        ARG  37  24.276  -3.395 -12.400
  314    HA   ARG  37           HA       ARG  37  24.649  -4.248  -9.566
  315   1HB   ARG  37          HB2       ARG  37  22.318  -4.649 -10.372
  316   2HB   ARG  37          HB3       ARG  37  22.958  -5.629 -11.690
  317   1HG   ARG  37          HG2       ARG  37  23.900  -7.237 -10.070
  318   2HG   ARG  37          HG3       ARG  37  23.353  -6.224  -8.717
  319   1HD   ARG  37          HD2       ARG  37  21.016  -6.583  -9.335
  320   2HD   ARG  37          HD3       ARG  37  21.494  -7.433 -10.804
  321    HE   ARG  37           HE       ARG  37  22.096  -9.314  -9.602
  322   1HH1  ARG  37          HH21      ARG  37  20.928  -6.790  -7.308
  323   2HH1  ARG  37          HH22      ARG  37  20.859  -7.903  -5.992
  324   1HH2  ARG  37          HH11      ARG  37  21.932 -10.730  -7.829
  325   2HH2  ARG  37          HH12      ARG  37  21.397 -10.169  -6.293
  326    H    ASP  38           H        ASP  38  26.345  -5.579  -9.318
  327    HA   ASP  38           HA       ASP  38  28.408  -5.492 -11.151
  328   1HB   ASP  38          HB2       ASP  38  28.671  -5.734  -8.728
  329   2HB   ASP  38          HB3       ASP  38  28.001  -7.366  -8.793
  330    H    ASP  39           H        ASP  39  25.920  -7.944 -10.941
  331    HA   ASP  39           HA       ASP  39  27.093 -10.098 -12.337
  332   1HB   ASP  39          HB2       ASP  39  24.904 -10.179 -11.215
  333   2HB   ASP  39          HB3       ASP  39  24.240  -9.044 -12.392
  334    H    GLY  40           H        GLY  40  26.164  -6.936 -13.495
  335   1HA   GLY  40          HA2       GLY  40  27.224  -6.206 -15.564
  336   2HA   GLY  40          HA3       GLY  40  26.703  -7.710 -16.339
  337    H    ARG  41           H        ARG  41  24.554  -5.956 -14.094
  338    HA   ARG  41           HA       ARG  41  22.637  -5.658 -16.385
  339   1HB   ARG  41          HB2       ARG  41  22.076  -6.535 -13.528
  340   2HB   ARG  41          HB3       ARG  41  20.911  -6.460 -14.825
  341   1HG   ARG  41          HG2       ARG  41  23.275  -8.365 -14.755
  342   2HG   ARG  41          HG3       ARG  41  21.649  -8.720 -14.174
  343   1HD   ARG  41          HD2       ARG  41  21.572  -9.720 -16.197
  344   2HD   ARG  41          HD3       ARG  41  20.861  -8.146 -16.554
  345    HE   ARG  41           HE       ARG  41  22.546  -7.811 -18.070
  346   1HH1  ARG  41          HH21      ARG  41  23.892 -10.209 -15.736
  347   2HH1  ARG  41          HH22      ARG  41  25.219 -10.559 -16.775
  348   1HH2  ARG  41          HH11      ARG  41  24.068  -8.484 -19.418
  349   2HH2  ARG  41          HH12      ARG  41  25.367  -9.549 -18.934
  350    H    VAL  42           H        VAL  42  20.663  -4.399 -15.518
  351    HA   VAL  42           HA       VAL  42  21.488  -2.183 -13.690
  352    HB   VAL  42           HB       VAL  42  19.246  -2.252 -15.763
  353   1HG1  VAL  42          HG11      VAL  42  18.482  -1.014 -13.767
  354   2HG1  VAL  42          HG12      VAL  42  19.975  -0.052 -13.769
  355   3HG1  VAL  42          HG13      VAL  42  18.802   0.097 -15.097
  356   1HG2  VAL  42          HG21      VAL  42  21.450  -1.814 -16.739
  357   2HG2  VAL  42          HG22      VAL  42  20.506  -0.324 -16.732
  358   3HG2  VAL  42          HG23      VAL  42  21.777  -0.563 -15.518
  359    H    GLU  43           H        GLU  43  20.189  -1.994 -11.862
  360    HA   GLU  43           HA       GLU  43  18.094  -4.056 -11.408
  361   1HB   GLU  43          HB2       GLU  43  19.993  -4.717 -10.080
  362   2HB   GLU  43          HB3       GLU  43  20.273  -3.057  -9.539
  363   1HG   GLU  43          HG2       GLU  43  17.991  -3.140  -8.398
  364   2HG   GLU  43          HG3       GLU  43  17.932  -4.857  -8.783
  365    H    ILE  44           H        ILE  44  16.231  -3.161 -10.675
  366    HA   ILE  44           HA       ILE  44  16.151  -0.310  -9.846
  367    HB   ILE  44           HB       ILE  44  14.131  -1.858 -11.505
  368   1HG1  ILE  44          HG12      ILE  44  15.838   0.345 -12.706
  369   2HG1  ILE  44          HG13      ILE  44  16.404  -1.309 -12.744
  370   1HG2  ILE  44          HG21      ILE  44  13.114   0.383 -11.930
  371   2HG2  ILE  44          HG22      ILE  44  13.129  -0.024 -10.218
  372   3HG2  ILE  44          HG23      ILE  44  14.330   1.114 -10.863
  373   1HD1  ILE  44          HD11      ILE  44  14.435  -2.100 -13.834
  374   2HD1  ILE  44          HD12      ILE  44  13.791  -0.433 -13.928
  375   3HD1  ILE  44          HD13      ILE  44  15.286  -0.861 -14.790
  376    H    LEU  45           H        LEU  45  14.713  -0.006  -8.069
  377    HA   LEU  45           HA       LEU  45  13.128  -2.303  -7.097
  378   1HB   LEU  45          HB2       LEU  45  15.499  -2.202  -6.047
  379   2HB   LEU  45          HB3       LEU  45  14.972  -0.726  -5.249
  380    HG   LEU  45           HG       LEU  45  13.625  -3.463  -4.995
  381   1HD1  LEU  45          HD11      LEU  45  14.735  -3.620  -2.826
  382   2HD1  LEU  45          HD12      LEU  45  15.945  -3.385  -4.100
  383   3HD1  LEU  45          HD13      LEU  45  15.476  -2.022  -3.067
  384   1HD2  LEU  45          HD21      LEU  45  13.178  -0.865  -3.458
  385   2HD2  LEU  45          HD22      LEU  45  11.978  -1.803  -4.383
  386   3HD2  LEU  45          HD23      LEU  45  12.623  -2.462  -2.902
  387    H    ALA  46           H        ALA  46  11.117  -1.480  -6.487
  388    HA   ALA  46           HA       ALA  46  10.897   1.407  -5.940
  389   1HB   ALA  46          HB1       ALA  46  10.643   1.229  -8.388
  390   2HB   ALA  46          HB2       ALA  46   9.351   0.027  -8.172
  391   3HB   ALA  46          HB3       ALA  46   9.121   1.697  -7.609
  392    H    GLU  47           H        GLU  47   9.015   1.960  -4.873
  393    HA   GLU  47           HA       GLU  47   7.121  -0.130  -4.003
  394   1HB   GLU  47          HB2       GLU  47   9.006  -0.014  -2.403
  395   2HB   GLU  47          HB3       GLU  47   8.776   1.719  -2.207
  396   1HG   GLU  47          HG2       GLU  47   6.355   0.045  -1.686
  397   2HG   GLU  47          HG3       GLU  47   7.724  -0.278  -0.636
  398    H    GLY  48           H        GLY  48   5.035   0.730  -3.780
  399   1HA   GLY  48          HA2       GLY  48   4.184   3.287  -3.291
  400   2HA   GLY  48          HA3       GLY  48   4.626   3.347  -5.000
  401    HA   PRO  49           HA       PRO  49   0.165   1.884  -4.765
  402   1HB   PRO  49          HB2       PRO  49   0.214   3.608  -7.236
  403   2HB   PRO  49          HB3       PRO  49  -1.074   3.432  -6.009
  404   1HG   PRO  49          HG2       PRO  49   0.543   5.618  -6.029
  405   2HG   PRO  49          HG3       PRO  49   0.081   4.839  -4.482
  406   1HD   PRO  49          HD2       PRO  49   2.661   4.550  -6.036
  407   2HD   PRO  49          HD3       PRO  49   2.420   4.754  -4.274
  408    H    GLU  50           H        GLU  50  -0.399   0.000  -5.864
  409    HA   GLU  50           HA       GLU  50   1.454  -1.265  -7.570
  410   1HB   GLU  50          HB2       GLU  50  -0.406  -2.879  -8.025
  411   2HB   GLU  50          HB3       GLU  50   0.053  -2.672  -6.347
  412   1HG   GLU  50          HG2       GLU  50  -2.267  -1.030  -7.368
  413   2HG   GLU  50          HG3       GLU  50  -2.491  -2.761  -7.165
  414    H    ASN  51           H        ASN  51  -1.329   0.811  -8.423
  415    HA   ASN  51           HA       ASN  51  -1.266   0.252 -11.244
  416   1HB   ASN  51          HB2       ASN  51  -3.182   1.379 -10.260
  417   2HB   ASN  51          HB3       ASN  51  -2.171   2.702  -9.667
  418   1HD2  ASN  51          HD22      ASN  51  -3.257   1.117 -12.742
  419   2HD2  ASN  51          HD21      ASN  51  -3.120   2.566 -13.698
  420    H    ALA  52           H        ALA  52   0.450   2.655  -9.223
  421    HA   ALA  52           HA       ALA  52   1.789   3.996 -11.386
  422   1HB   ALA  52          HB1       ALA  52   1.588   5.065  -9.197
  423   2HB   ALA  52          HB2       ALA  52   2.467   3.731  -8.417
  424   3HB   ALA  52          HB3       ALA  52   3.309   4.789  -9.545
  425    H    LEU  53           H        LEU  53   2.654   1.250  -9.239
  426    HA   LEU  53           HA       LEU  53   5.242   0.825 -10.321
  427   1HB   LEU  53          HB2       LEU  53   3.249  -0.943  -8.870
  428   2HB   LEU  53          HB3       LEU  53   4.807  -1.557  -9.374
  429    HG   LEU  53           HG       LEU  53   4.520   0.909  -7.610
  430   1HD1  LEU  53          HD11      LEU  53   4.953  -2.000  -6.819
  431   2HD1  LEU  53          HD12      LEU  53   5.139  -0.589  -5.753
  432   3HD1  LEU  53          HD13      LEU  53   3.553  -0.963  -6.426
  433   1HD2  LEU  53          HD21      LEU  53   6.855   0.504  -7.034
  434   2HD2  LEU  53          HD22      LEU  53   6.907  -0.934  -8.069
  435   3HD2  LEU  53          HD23      LEU  53   6.725   0.676  -8.785
  436    H    GLN  54           H        GLN  54   2.068  -0.704 -11.283
  437    HA   GLN  54           HA       GLN  54   3.228  -2.318 -13.317
  438   1HB   GLN  54          HB2       GLN  54   0.456  -1.096 -12.999
  439   2HB   GLN  54          HB3       GLN  54   0.873  -2.147 -14.351
  440   1HG   GLN  54          HG2       GLN  54   1.125  -2.978 -11.426
  441   2HG   GLN  54          HG3       GLN  54  -0.263  -3.324 -12.452
  442   1HE2  GLN  54          HE22      GLN  54   0.111  -4.710 -14.419
  443   2HE2  GLN  54          HE21      GLN  54   1.410  -5.873 -14.383
  444    H    SER  55           H        SER  55   1.987   1.050 -13.463
  445    HA   SER  55           HA       SER  55   2.486   1.499 -16.228
  446   1HB   SER  55          HB2       SER  55   2.804   3.510 -13.963
  447   2HB   SER  55          HB3       SER  55   2.481   3.854 -15.665
  448    HG   SER  55           HG       SER  55   0.751   2.489 -13.835
  449    H    PHE  56           H        PHE  56   4.646   1.718 -13.366
  450    HA   PHE  56           HA       PHE  56   6.855   2.720 -14.833
  451   1HB   PHE  56          HB2       PHE  56   6.446   3.008 -12.418
  452   2HB   PHE  56          HB3       PHE  56   6.780   1.303 -12.152
  453    HD1  PHE  56           HD1      PHE  56   8.548   3.970 -14.196
  454    HD2  PHE  56           HD2      PHE  56   8.735   1.239 -10.856
  455    HE1  PHE  56           HE1      PHE  56  10.917   4.582 -13.802
  456    HE2  PHE  56           HE2      PHE  56  11.101   1.867 -10.483
  457    HZ   PHE  56           HZ       PHE  56  12.167   3.570 -11.916
  458    H    VAL  57           H        VAL  57   5.829  -0.705 -14.097
  459    HA   VAL  57           HA       VAL  57   8.170  -1.841 -15.278
  460    HB   VAL  57           HB       VAL  57   5.400  -3.073 -15.529
  461   1HG1  VAL  57          HG11      VAL  57   6.696  -5.193 -15.562
  462   2HG1  VAL  57          HG12      VAL  57   7.177  -4.135 -16.888
  463   3HG1  VAL  57          HG13      VAL  57   8.211  -4.269 -15.453
  464   1HG2  VAL  57          HG21      VAL  57   5.687  -2.684 -13.165
  465   2HG2  VAL  57          HG22      VAL  57   6.001  -4.383 -13.467
  466   3HG2  VAL  57          HG23      VAL  57   7.364  -3.268 -13.216
  467    H    GLU  58           H        GLU  58   5.041  -0.735 -16.751
  468    HA   GLU  58           HA       GLU  58   5.708  -1.515 -19.382
  469   1HB   GLU  58          HB2       GLU  58   3.871   0.687 -18.378
  470   2HB   GLU  58          HB3       GLU  58   4.040   0.249 -20.079
  471   1HG   GLU  58          HG2       GLU  58   3.387  -2.090 -19.550
  472   2HG   GLU  58          HG3       GLU  58   3.146  -1.644 -17.864
  473    H    ALA  59           H        ALA  59   6.550   1.488 -17.615
  474    HA   ALA  59           HA       ALA  59   7.896   2.707 -19.816
  475   1HB   ALA  59          HB1       ALA  59   8.401   3.037 -16.824
  476   2HB   ALA  59          HB2       ALA  59   8.968   4.111 -18.113
  477   3HB   ALA  59          HB3       ALA  59   7.229   3.957 -17.796
  478    H    VAL  60           H        VAL  60   9.150   0.704 -17.079
  479    HA   VAL  60           HA       VAL  60  11.866   0.865 -17.788
  480    HB   VAL  60           HB       VAL  60  10.188  -1.001 -16.089
  481   1HG1  VAL  60          HG11      VAL  60  12.228  -1.956 -15.109
  482   2HG1  VAL  60          HG12      VAL  60  12.026  -2.439 -16.789
  483   3HG1  VAL  60          HG13      VAL  60  13.207  -1.180 -16.377
  484   1HG2  VAL  60          HG21      VAL  60  11.290   0.150 -14.243
  485   2HG2  VAL  60          HG22      VAL  60  12.385   0.991 -15.359
  486   3HG2  VAL  60          HG23      VAL  60  10.663   1.379 -15.342
  487    H    LYS  61           H        LYS  61   9.412  -1.621 -18.727
  488    HA   LYS  61           HA       LYS  61  11.327  -3.350 -19.893
  489   1HB   LYS  61          HB2       LYS  61   9.515  -4.588 -20.785
  490   2HB   LYS  61          HB3       LYS  61   9.064  -4.022 -19.174
  491   1HG   LYS  61          HG2       LYS  61   7.758  -2.160 -20.253
  492   2HG   LYS  61          HG3       LYS  61   8.107  -2.859 -21.836
  493   1HD   LYS  61          HD2       LYS  61   6.631  -4.251 -19.559
  494   2HD   LYS  61          HD3       LYS  61   5.866  -3.466 -20.952
  495   1HE   LYS  61          HE2       LYS  61   7.052  -5.041 -22.484
  496   2HE   LYS  61          HE3       LYS  61   7.757  -5.860 -21.084
  497   1HZ   LYS  61          HZ1       LYS  61   5.505  -6.443 -20.376
  498   2HZ   LYS  61          HZ2       LYS  61   4.857  -5.691 -21.678
  499   3HZ   LYS  61          HZ3       LYS  61   5.794  -7.006 -21.876
  500    H    ASN  62           H        ASN  62  10.131  -0.341 -21.152
  501    HA   ASN  62           HA       ASN  62  10.634  -0.888 -23.956
  502   1HB   ASN  62          HB2       ASN  62   9.254   1.044 -23.137
  503   2HB   ASN  62          HB3       ASN  62  10.702   1.758 -22.430
  504   1HD2  ASN  62          HD22      ASN  62  12.055   2.968 -23.706
  505   2HD2  ASN  62          HD21      ASN  62  11.805   3.216 -25.433
  506    H    GLY  63           H        GLY  63  12.667  -0.182 -21.156
  507   1HA   GLY  63          HA2       GLY  63  14.913   0.383 -20.964
  508   2HA   GLY  63          HA3       GLY  63  15.122   0.226 -22.710
  509    H    SER  64           H        SER  64  16.266   2.496 -22.087
  510    HA   SER  64           HA       SER  64  14.356   4.719 -22.371
  511   1HB   SER  64          HB2       SER  64  16.317   6.048 -22.930
  512   2HB   SER  64          HB3       SER  64  16.620   5.123 -21.455
  513    HG   SER  64           HG       SER  64  18.387   4.988 -22.857
  514    HA   PRO  65           HA       PRO  65  13.893   4.038 -26.826
  515   1HB   PRO  65          HB2       PRO  65  14.290   6.622 -27.851
  516   2HB   PRO  65          HB3       PRO  65  12.756   5.939 -27.240
  517   1HG   PRO  65          HG2       PRO  65  14.758   7.668 -25.779
  518   2HG   PRO  65          HG3       PRO  65  12.968   7.780 -25.765
  519   1HD   PRO  65          HD2       PRO  65  14.310   6.604 -23.734
  520   2HD   PRO  65          HD3       PRO  65  12.785   5.876 -24.321
  521    H    PHE  66           H        PHE  66  16.848   5.309 -25.414
  522    HA   PHE  66           HA       PHE  66  18.441   4.863 -27.852
  523   1HB   PHE  66          HB2       PHE  66  19.363   5.420 -25.010
  524   2HB   PHE  66          HB3       PHE  66  20.310   5.552 -26.481
  525    HD1  PHE  66           HD2      PHE  66  19.539   7.302 -28.264
  526    HD2  PHE  66           HD1      PHE  66  18.191   7.316 -24.163
  527    HE1  PHE  66           HE2      PHE  66  18.851   9.678 -28.492
  528    HE2  PHE  66           HE1      PHE  66  17.501   9.687 -24.400
  529    HZ   PHE  66           HZ       PHE  66  17.829  10.873 -26.562
  530    H    SER  67           H        SER  67  17.316   3.039 -25.068
  531    HA   SER  67           HA       SER  67  19.546   1.196 -24.931
  532   1HB   SER  67          HB2       SER  67  16.711   1.074 -23.836
  533   2HB   SER  67          HB3       SER  67  18.010  -0.019 -23.380
  534    HG   SER  67           HG       SER  67  18.088   2.812 -23.001
  535    H    LYS  68           H        LYS  68  19.084  -1.171 -25.048
  536    HA   LYS  68           HA       LYS  68  16.753  -2.046 -26.587
  537   1HB   LYS  68          HB2       LYS  68  18.476  -2.059 -28.339
  538   2HB   LYS  68          HB3       LYS  68  19.580  -2.967 -27.295
  539   1HG   LYS  68          HG2       LYS  68  17.954  -4.860 -27.228
  540   2HG   LYS  68          HG3       LYS  68  16.871  -3.972 -28.297
  541   1HD   LYS  68          HD2       LYS  68  19.725  -4.825 -28.967
  542   2HD   LYS  68          HD3       LYS  68  18.297  -5.753 -29.395
  543   1HE   LYS  68          HE2       LYS  68  18.855  -2.906 -30.352
  544   2HE   LYS  68          HE3       LYS  68  19.241  -4.366 -31.263
  545   1HZ   LYS  68          HZ1       LYS  68  16.879  -4.904 -31.308
  546   2HZ   LYS  68          HZ2       LYS  68  16.503  -3.540 -30.486
  547   3HZ   LYS  68          HZ3       LYS  68  17.146  -3.447 -31.978
  548    H    VAL  69           H        VAL  69  15.844  -2.913 -24.747
  549    HA   VAL  69           HA       VAL  69  17.311  -4.448 -22.759
  550    HB   VAL  69           HB       VAL  69  14.341  -4.386 -23.491
  551   1HG1  VAL  69          HG11      VAL  69  14.003  -5.289 -21.169
  552   2HG1  VAL  69          HG12      VAL  69  14.811  -6.429 -22.243
  553   3HG1  VAL  69          HG13      VAL  69  15.760  -5.530 -21.047
  554   1HG2  VAL  69          HG21      VAL  69  14.084  -2.921 -21.507
  555   2HG2  VAL  69          HG22      VAL  69  15.846  -2.883 -21.308
  556   3HG2  VAL  69          HG23      VAL  69  15.087  -2.171 -22.747
  557    H    THR  70           H        THR  70  17.878  -6.626 -22.936
  558    HA   THR  70           HA       THR  70  16.763  -8.162 -25.248
  559    HB   THR  70           HB       THR  70  18.838  -9.490 -25.114
  560    HG1  THR  70           HG1      THR  70  20.431  -8.927 -23.764
  561   1HG2  THR  70          HG21      THR  70  19.379  -6.496 -25.454
  562   2HG2  THR  70          HG22      THR  70  20.333  -7.832 -26.132
  563   3HG2  THR  70          HG23      THR  70  18.676  -7.554 -26.694
  564    H    ASP  71           H        ASP  71  17.118  -8.015 -21.726
  565    HA   ASP  71           HA       ASP  71  15.100 -10.083 -21.501
  566   1HB   ASP  71          HB2       ASP  71  17.174 -11.466 -21.505
  567   2HB   ASP  71          HB3       ASP  71  17.827 -10.484 -20.194
  568    H    ILE  72           H        ILE  72  14.167 -10.059 -19.344
  569    HA   ILE  72           HA       ILE  72  14.996  -8.014 -17.454
  570    HB   ILE  72           HB       ILE  72  13.688  -6.671 -18.950
  571   1HG1  ILE  72          HG12      ILE  72  11.928  -7.291 -16.544
  572   2HG1  ILE  72          HG13      ILE  72  13.433  -6.374 -16.472
  573   1HG2  ILE  72          HG21      ILE  72  11.359  -7.097 -19.576
  574   2HG2  ILE  72          HG22      ILE  72  12.367  -8.427 -20.112
  575   3HG2  ILE  72          HG23      ILE  72  11.359  -8.616 -18.661
  576   1HD1  ILE  72          HD11      ILE  72  11.576  -4.839 -16.517
  577   2HD1  ILE  72          HD12      ILE  72  12.479  -4.688 -18.038
  578   3HD1  ILE  72          HD13      ILE  72  10.926  -5.561 -17.992
  579    H    SER  73           H        SER  73  14.188  -8.458 -15.379
  580    HA   SER  73           HA       SER  73  12.607 -10.950 -14.954
  581   1HB   SER  73          HB2       SER  73  15.264 -10.192 -13.636
  582   2HB   SER  73          HB3       SER  73  14.274 -11.609 -13.246
  583    HG   SER  73           HG       SER  73  15.993 -12.115 -14.670
  584    H    VAL  74           H        VAL  74  11.423 -10.890 -12.945
  585    HA   VAL  74           HA       VAL  74  11.399  -8.302 -11.484
  586    HB   VAL  74           HB       VAL  74   8.964  -9.737 -12.639
  587   1HG1  VAL  74          HG11      VAL  74   9.164  -7.109 -11.097
  588   2HG1  VAL  74          HG12      VAL  74   7.718  -7.683 -11.949
  589   3HG1  VAL  74          HG13      VAL  74   8.353  -8.595 -10.585
  590   1HG2  VAL  74          HG21      VAL  74  10.082  -8.706 -14.505
  591   2HG2  VAL  74          HG22      VAL  74   8.679  -7.724 -14.096
  592   3HG2  VAL  74          HG23      VAL  74  10.303  -7.188 -13.618
  593    H    THR  75           H        THR  75  10.911  -8.514  -9.322
  594    HA   THR  75           HA       THR  75   9.770 -11.049  -8.295
  595    HB   THR  75           HB       THR  75  12.016  -9.561  -6.870
  596    HG1  THR  75           HG1      THR  75  12.891 -10.352  -8.776
  597   1HG2  THR  75          HG21      THR  75  12.265 -11.703  -5.660
  598   2HG2  THR  75          HG22      THR  75  10.634 -11.047  -5.480
  599   3HG2  THR  75          HG23      THR  75  10.920 -12.398  -6.597
  600    H    GLU  76           H        GLU  76   7.818 -10.333  -7.457
  601    HA   GLU  76           HA       GLU  76   7.456  -7.605  -6.468
  602   1HB   GLU  76          HB2       GLU  76   5.217  -8.341  -5.899
  603   2HB   GLU  76          HB3       GLU  76   5.599  -8.760  -7.568
  604   1HG   GLU  76          HG2       GLU  76   6.071 -11.117  -6.843
  605   2HG   GLU  76          HG3       GLU  76   5.624 -10.679  -5.193
  606    H    SER  77           H        SER  77   6.834  -7.257  -4.186
  607    HA   SER  77           HA       SER  77   7.496  -9.271  -2.177
  608   1HB   SER  77          HB2       SER  77   9.177  -6.751  -2.579
  609   2HB   SER  77          HB3       SER  77   9.187  -7.709  -1.084
  610    HG   SER  77           HG       SER  77   9.502  -9.145  -3.418
  611    H    ARG  78           H        ARG  78   7.006  -8.398   0.027
  612    HA   ARG  78           HA       ARG  78   5.483  -5.901   0.091
  613   1HB   ARG  78          HB2       ARG  78   3.801  -7.625  -0.433
  614   2HB   ARG  78          HB3       ARG  78   4.202  -8.485   1.067
  615   1HG   ARG  78          HG2       ARG  78   3.464  -6.565   2.401
  616   2HG   ARG  78          HG3       ARG  78   3.295  -5.572   0.954
  617   1HD   ARG  78          HD2       ARG  78   1.662  -8.096   1.455
  618   2HD   ARG  78          HD3       ARG  78   1.152  -6.509   2.018
  619    HE   ARG  78           HE       ARG  78   0.937  -7.555  -0.641
  620   1HH1  ARG  78          HH21      ARG  78   1.385  -4.472   1.108
  621   2HH1  ARG  78          HH22      ARG  78   0.816  -3.519  -0.232
  622   1HH2  ARG  78          HH11      ARG  78  -0.019  -6.206  -2.295
  623   2HH2  ARG  78          HH12      ARG  78   0.035  -4.478  -2.106
  624    H    SER  79           H        SER  79   7.837  -5.841   0.857
  625    HA   SER  79           HA       SER  79   7.881  -5.878   3.825
  626   1HB   SER  79          HB2       SER  79  10.154  -6.719   1.967
  627   2HB   SER  79          HB3       SER  79  10.209  -6.643   3.739
  628    HG   SER  79           HG       SER  79   9.843  -8.769   2.956
  629    H    LEU  80           H        LEU  80   6.958  -3.784   2.815
  630    HA   LEU  80           HA       LEU  80   8.086  -2.336   0.833
  631   1HB   LEU  80          HB2       LEU  80   6.239  -1.583   3.102
  632   2HB   LEU  80          HB3       LEU  80   6.811  -0.336   2.013
  633    HG   LEU  80           HG       LEU  80   5.863  -1.447   0.073
  634   1HD1  LEU  80          HD11      LEU  80   6.011  -3.786   0.615
  635   2HD1  LEU  80          HD12      LEU  80   4.854  -3.595   1.967
  636   3HD1  LEU  80          HD13      LEU  80   4.334  -3.370   0.281
  637   1HD2  LEU  80          HD21      LEU  80   3.859  -1.196   2.348
  638   2HD2  LEU  80          HD22      LEU  80   4.482   0.136   1.349
  639   3HD2  LEU  80          HD23      LEU  80   3.489  -1.131   0.611
  640    H    GLU  81           H        GLU  81   9.230  -0.443   0.552
  641    HA   GLU  81           HA       GLU  81  11.652  -0.270   2.034
  642   1HB   GLU  81          HB2       GLU  81  10.392   1.619  -0.016
  643   2HB   GLU  81          HB3       GLU  81  12.047   1.734   0.557
  644   1HG   GLU  81          HG2       GLU  81  10.859  -0.583  -1.012
  645   2HG   GLU  81          HG3       GLU  81  11.941   0.658  -1.633
  646    H    GLY  82           H        GLY  82   8.649   1.679   2.134
  647   1HA   GLY  82          HA2       GLY  82   7.922   3.255   3.616
  648   2HA   GLY  82          HA3       GLY  82   9.249   2.842   4.717
  649    H    HIS  83           H        HIS  83  10.160   3.641   1.457
  650    HA   HIS  83           HA       HIS  83  11.616   6.029   2.353
  651   1HB   HIS  83          HB2       HIS  83  11.516   4.368  -0.200
  652   2HB   HIS  83          HB3       HIS  83  12.330   5.920  -0.138
  653    HD1  HIS  83           HD1      HIS  83  12.646   3.239   2.691
  654    HD2  HIS  83           HD2      HIS  83  14.789   5.137  -0.409
  655    HE1  HIS  83           HE1      HIS  83  15.077   2.584   2.991
  656    H    HIS  84           H        HIS  84  11.494   8.007   0.984
  657    HA   HIS  84           HA       HIS  84   8.814   8.522  -0.201
  658   1HB   HIS  84          HB2       HIS  84   9.093   9.216   2.260
  659   2HB   HIS  84          HB3       HIS  84  10.242  10.423   1.693
  660    HD1  HIS  84           HD1      HIS  84   6.498   9.469   1.128
  661    HD2  HIS  84           HD2      HIS  84   9.173  12.720   0.986
  662    HE1  HIS  84           HE1      HIS  84   5.085  11.537   0.680
  663    H    ARG  85           H        ARG  85  11.624   8.038  -1.343
  664    HA   ARG  85           HA       ARG  85  11.526  10.149  -3.292
  665   1HB   ARG  85          HB2       ARG  85  13.679  11.058  -3.080
  666   2HB   ARG  85          HB3       ARG  85  12.998  11.141  -1.469
  667   1HG   ARG  85          HG2       ARG  85  15.074   9.135  -2.444
  668   2HG   ARG  85          HG3       ARG  85  15.381  10.562  -1.469
  669   1HD   ARG  85          HD2       ARG  85  13.755   8.149  -0.618
  670   2HD   ARG  85          HD3       ARG  85  15.408   8.536  -0.115
  671    HE   ARG  85           HE       ARG  85  13.753  10.748   0.507
  672   1HH1  ARG  85          HH21      ARG  85  14.420   7.456   1.664
  673   2HH1  ARG  85          HH22      ARG  85  13.819   7.743   3.250
  674   1HH2  ARG  85          HH11      ARG  85  13.000  11.141   2.644
  675   2HH2  ARG  85          HH12      ARG  85  13.002   9.886   3.819
  676    H    PHE  86           H        PHE  86  13.056   9.631  -5.100
  677    HA   PHE  86           HA       PHE  86  13.691   6.738  -5.231
  678   1HB   PHE  86          HB2       PHE  86  11.984   7.910  -6.906
  679   2HB   PHE  86          HB3       PHE  86  13.450   8.479  -7.675
  680    HD1  PHE  86           HD2      PHE  86  11.688   5.395  -6.479
  681    HD2  PHE  86           HD1      PHE  86  14.502   7.045  -9.239
  682    HE1  PHE  86           HE2      PHE  86  11.945   3.158  -7.527
  683    HE2  PHE  86           HE1      PHE  86  14.776   4.813 -10.313
  684    HZ   PHE  86           HZ       PHE  86  13.509   2.858  -9.432
  685    H    SER  87           H        SER  87  15.843   6.235  -6.027
  686    HA   SER  87           HA       SER  87  17.764   8.535  -6.129
  687   1HB   SER  87          HB2       SER  87  18.069   5.902  -4.625
  688   2HB   SER  87          HB3       SER  87  19.237   7.233  -4.668
  689    HG   SER  87           HG       SER  87  17.942   7.266  -2.777
  690    H    ILE  88           H        ILE  88  19.816   8.083  -7.152
  691    HA   ILE  88           HA       ILE  88  19.913   5.632  -8.830
  692    HB   ILE  88           HB       ILE  88  21.671   8.071  -9.259
  693   1HG1  ILE  88          HG12      ILE  88  19.190   7.350 -10.863
  694   2HG1  ILE  88          HG13      ILE  88  19.323   8.737  -9.760
  695   1HG2  ILE  88          HG21      ILE  88  22.163   6.927 -11.407
  696   2HG2  ILE  88          HG22      ILE  88  22.469   5.823 -10.076
  697   3HG2  ILE  88          HG23      ILE  88  20.975   5.668 -11.028
  698   1HD1  ILE  88          HD11      ILE  88  19.544   9.547 -11.987
  699   2HD1  ILE  88          HD12      ILE  88  21.145   9.651 -11.225
  700   3HD1  ILE  88          HD13      ILE  88  20.778   8.357 -12.397
  701    H    VAL  89           H        VAL  89  21.605   4.244  -8.242
  702    HA   VAL  89           HA       VAL  89  23.480   5.135  -6.104
  703    HB   VAL  89           HB       VAL  89  21.854   2.553  -6.083
  704   1HG1  VAL  89          HG11      VAL  89  24.007   2.228  -4.971
  705   2HG1  VAL  89          HG12      VAL  89  23.772   3.717  -4.022
  706   3HG1  VAL  89          HG13      VAL  89  22.728   2.305  -3.769
  707   1HG2  VAL  89          HG21      VAL  89  20.357   4.413  -5.535
  708   2HG2  VAL  89          HG22      VAL  89  20.715   3.480  -4.086
  709   3HG2  VAL  89          HG23      VAL  89  21.531   5.036  -4.352
  710    H    TYR  90           H        TYR  90  25.465   3.857  -6.075
  711    HA   TYR  90           HA       TYR  90  26.113   2.721  -8.758
  712   1HB   TYR  90          HB2       TYR  90  27.655   4.841  -7.222
  713   2HB   TYR  90          HB3       TYR  90  28.044   4.210  -8.812
  714    HD1  TYR  90           HD1      TYR  90  26.643   4.794 -10.805
  715    HD2  TYR  90           HD2      TYR  90  25.971   6.582  -6.934
  716    HE1  TYR  90           HE1      TYR  90  25.375   6.629 -11.878
  717    HE2  TYR  90           HE2      TYR  90  24.677   8.406  -7.996
  718    HH   TYR  90           HH       TYR  90  24.236   8.640 -11.554
  719    H    SER  91           H        SER  91  25.983   1.685  -5.709
  720    HA   SER  91           HA       SER  91  28.537   0.207  -5.765
  721   1HB   SER  91          HB2       SER  91  27.482   1.724  -3.336
  722   2HB   SER  91          HB3       SER  91  28.937   0.724  -3.411
  723    HG   SER  91           HG       SER  91  29.411   2.978  -3.612
  Start of MODEL   10
    1   1H    MET   1          H1        MET   1  -0.982  -1.298  -1.149
    2   2H    MET   1          H2        MET   1  -0.033  -1.023   0.147
    3   3H    MET   1          H3        MET   1  -0.839   0.224  -0.562
    4    HA   MET   1           HA       MET   1   0.448  -0.053  -2.588
    5   1HB   MET   1          HB2       MET   1   2.034   0.417  -0.023
    6   2HB   MET   1          HB3       MET   1   2.739   0.598  -1.627
    7   1HG   MET   1          HG2       MET   1   0.923   2.219  -2.223
    8   2HG   MET   1          HG3       MET   1   0.371   2.159  -0.545
    9   1HE   MET   1          HE1       MET   1   1.964   5.724  -0.852
   10   2HE   MET   1          HE2       MET   1   1.060   4.837  -2.099
   11   3HE   MET   1          HE3       MET   1   0.517   4.793  -0.406
   12    H    LEU   2           H        LEU   2   2.795  -0.877  -3.246
   13    HA   LEU   2           HA       LEU   2   3.252  -3.672  -2.463
   14   1HB   LEU   2          HB2       LEU   2   1.778  -2.905  -4.836
   15   2HB   LEU   2          HB3       LEU   2   3.353  -3.452  -5.369
   16    HG   LEU   2           HG       LEU   2   1.481  -5.033  -3.556
   17   1HD1  LEU   2          HD11      LEU   2   1.075  -6.427  -5.550
   18   2HD1  LEU   2          HD12      LEU   2   0.578  -4.753  -5.828
   19   3HD1  LEU   2          HD13      LEU   2   2.100  -5.351  -6.526
   20   1HD2  LEU   2          HD21      LEU   2   2.958  -6.961  -4.088
   21   2HD2  LEU   2          HD22      LEU   2   4.072  -5.877  -4.941
   22   3HD2  LEU   2          HD23      LEU   2   3.815  -5.720  -3.187
   23    H    GLN   3           H        GLN   3   5.272  -4.398  -3.957
   24    HA   GLN   3           HA       GLN   3   7.155  -2.249  -4.516
   25   1HB   GLN   3          HB2       GLN   3   7.418  -2.473  -2.111
   26   2HB   GLN   3          HB3       GLN   3   7.341  -4.217  -2.220
   27   1HG   GLN   3          HG2       GLN   3   9.648  -4.088  -3.409
   28   2HG   GLN   3          HG3       GLN   3   9.674  -2.400  -2.884
   29   1HE2  GLN   3          HE22      GLN   3  11.221  -2.456  -1.035
   30   2HE2  GLN   3          HE21      GLN   3  10.880  -3.491   0.315
   31    H    TYR   4           H        TYR   4   8.986  -3.119  -5.740
   32    HA   TYR   4           HA       TYR   4   9.196  -5.986  -5.997
   33   1HB   TYR   4          HB2       TYR   4   9.283  -5.982  -8.508
   34   2HB   TYR   4          HB3       TYR   4   7.706  -5.837  -7.785
   35    HD1  TYR   4           HD1      TYR   4  10.308  -3.192  -8.729
   36    HD2  TYR   4           HD2      TYR   4   6.310  -4.761  -9.233
   37    HE1  TYR   4           HE1      TYR   4   9.787  -1.358 -10.273
   38    HE2  TYR   4           HE2      TYR   4   5.804  -2.940 -10.810
   39    HH   TYR   4           HH       TYR   4   6.588  -0.997 -11.851
   40    H    ARG   5           H        ARG   5  11.138  -6.603  -7.177
   41    HA   ARG   5           HA       ARG   5  13.159  -4.450  -7.553
   42   1HB   ARG   5          HB2       ARG   5  13.686  -6.107  -5.683
   43   2HB   ARG   5          HB3       ARG   5  13.713  -7.376  -6.911
   44   1HG   ARG   5          HG2       ARG   5  15.555  -6.058  -8.096
   45   2HG   ARG   5          HG3       ARG   5  15.572  -4.962  -6.704
   46   1HD   ARG   5          HD2       ARG   5  16.100  -7.968  -6.656
   47   2HD   ARG   5          HD3       ARG   5  17.327  -6.722  -6.559
   48    HE   ARG   5           HE       ARG   5  15.296  -7.426  -4.501
   49   1HH1  ARG   5          HH21      ARG   5  18.363  -5.695  -5.231
   50   2HH1  ARG   5          HH22      ARG   5  18.675  -5.373  -3.564
   51   1HH2  ARG   5          HH11      ARG   5  15.745  -6.929  -2.333
   52   2HH2  ARG   5          HH12      ARG   5  17.164  -6.058  -1.902
   53    H    ILE   6           H        ILE   6  14.080  -4.528  -9.661
   54    HA   ILE   6           HA       ILE   6  13.150  -6.659 -11.489
   55    HB   ILE   6           HB       ILE   6  12.889  -3.656 -11.965
   56   1HG1  ILE   6          HG12      ILE   6  10.895  -5.940 -11.786
   57   2HG1  ILE   6          HG13      ILE   6  11.040  -4.570 -10.698
   58   1HG2  ILE   6          HG21      ILE   6  13.764  -4.777 -14.018
   59   2HG2  ILE   6          HG22      ILE   6  12.373  -5.881 -13.986
   60   3HG2  ILE   6          HG23      ILE   6  12.146  -4.144 -14.239
   61   1HD1  ILE   6          HD11      ILE   6   9.104  -4.250 -12.055
   62   2HD1  ILE   6          HD12      ILE   6  10.314  -3.053 -12.566
   63   3HD1  ILE   6          HD13      ILE   6   9.998  -4.505 -13.553
   64    H    ILE   7           H        ILE   7  14.701  -7.202 -13.005
   65    HA   ILE   7           HA       ILE   7  17.301  -5.747 -12.908
   66    HB   ILE   7           HB       ILE   7  17.070  -8.706 -13.510
   67   1HG1  ILE   7          HG12      ILE   7  16.278  -8.579 -11.210
   68   2HG1  ILE   7          HG13      ILE   7  17.853  -9.330 -11.313
   69   1HG2  ILE   7          HG21      ILE   7  19.481  -8.709 -12.996
   70   2HG2  ILE   7          HG22      ILE   7  19.060  -7.650 -14.344
   71   3HG2  ILE   7          HG23      ILE   7  19.424  -6.945 -12.758
   72   1HD1  ILE   7          HD11      ILE   7  17.693  -7.843  -9.368
   73   2HD1  ILE   7          HD12      ILE   7  18.935  -7.269 -10.490
   74   3HD1  ILE   7          HD13      ILE   7  17.359  -6.460 -10.419
   75    H    VAL   8           H        VAL   8  18.109  -5.323 -15.018
   76    HA   VAL   8           HA       VAL   8  16.456  -6.238 -17.316
   77    HB   VAL   8           HB       VAL   8  17.376  -3.359 -17.015
   78   1HG1  VAL   8          HG11      VAL   8  16.806  -4.206 -19.287
   79   2HG1  VAL   8          HG12      VAL   8  15.196  -4.667 -18.709
   80   3HG1  VAL   8          HG13      VAL   8  15.675  -2.956 -18.756
   81   1HG2  VAL   8          HG21      VAL   8  15.804  -3.636 -15.161
   82   2HG2  VAL   8          HG22      VAL   8  15.047  -2.713 -16.458
   83   3HG2  VAL   8          HG23      VAL   8  14.629  -4.424 -16.244
   84    H    ASP   9           H        ASP   9  17.678  -6.625 -19.145
   85    HA   ASP   9           HA       ASP   9  20.633  -6.248 -18.970
   86   1HB   ASP   9          HB2       ASP   9  19.978  -8.490 -18.167
   87   2HB   ASP   9          HB3       ASP   9  19.063  -8.755 -19.650
   88    H    GLY  10           H        GLY  10  21.646  -6.311 -21.077
   89   1HA   GLY  10          HA2       GLY  10  21.210  -6.720 -23.543
   90   2HA   GLY  10          HA3       GLY  10  19.858  -5.594 -23.356
   91    H    ARG  11           H        ARG  11  20.822  -4.124 -24.839
   92    HA   ARG  11           HA       ARG  11  23.258  -2.659 -23.988
   93   1HB   ARG  11          HB2       ARG  11  22.744  -2.855 -26.432
   94   2HB   ARG  11          HB3       ARG  11  21.235  -1.971 -26.170
   95   1HG   ARG  11          HG2       ARG  11  22.603  -0.044 -25.241
   96   2HG   ARG  11          HG3       ARG  11  24.062  -0.960 -25.618
   97   1HD   ARG  11          HD2       ARG  11  23.737   0.636 -27.358
   98   2HD   ARG  11          HD3       ARG  11  23.407  -0.952 -28.034
   99    HE   ARG  11           HE       ARG  11  21.392   1.147 -27.271
  100   1HH1  ARG  11          HH21      ARG  11  22.152  -1.715 -29.256
  101   2HH1  ARG  11          HH22      ARG  11  20.747  -1.549 -30.241
  102   1HH2  ARG  11          HH11      ARG  11  19.575   1.328 -28.496
  103   2HH2  ARG  11          HH12      ARG  11  19.208   0.223 -29.785
  104    H    VAL  12           H        VAL  12  22.420  -2.379 -21.801
  105    HA   VAL  12           HA       VAL  12  20.313  -0.266 -21.602
  106    HB   VAL  12           HB       VAL  12  19.467  -1.387 -19.603
  107   1HG1  VAL  12          HG11      VAL  12  18.332  -3.250 -20.676
  108   2HG1  VAL  12          HG12      VAL  12  18.434  -1.875 -21.786
  109   3HG1  VAL  12          HG13      VAL  12  19.504  -3.276 -21.995
  110   1HG2  VAL  12          HG21      VAL  12  20.098  -3.648 -18.988
  111   2HG2  VAL  12          HG22      VAL  12  21.331  -3.712 -20.256
  112   3HG2  VAL  12          HG23      VAL  12  21.516  -2.605 -18.885
  113    H    GLN  13           H        GLN  13  23.478  -0.456 -21.423
  114    HA   GLN  13           HA       GLN  13  23.634   1.540 -19.267
  115   1HB   GLN  13          HB2       GLN  13  25.604  -0.775 -19.591
  116   2HB   GLN  13          HB3       GLN  13  25.824   0.631 -18.539
  117   1HG   GLN  13          HG2       GLN  13  23.717  -0.009 -17.320
  118   2HG   GLN  13          HG3       GLN  13  23.658  -1.497 -18.279
  119   1HE2  GLN  13          HE22      GLN  13  25.783  -2.871 -18.191
  120   2HE2  GLN  13          HE21      GLN  13  26.574  -2.955 -16.642
  121    H    GLY  14           H        GLY  14  25.318   3.105 -19.753
  122   1HA   GLY  14          HA2       GLY  14  26.493   4.451 -21.198
  123   2HA   GLY  14          HA3       GLY  14  26.679   3.094 -22.319
  124    H    VAL  15           H        VAL  15  23.433   3.829 -21.291
  125    HA   VAL  15           HA       VAL  15  22.787   5.363 -23.747
  126    HB   VAL  15           HB       VAL  15  20.802   3.773 -24.023
  127   1HG1  VAL  15          HG11      VAL  15  23.531   2.538 -24.510
  128   2HG1  VAL  15          HG12      VAL  15  22.010   2.209 -25.367
  129   3HG1  VAL  15          HG13      VAL  15  22.779   3.792 -25.523
  130   1HG2  VAL  15          HG21      VAL  15  20.964   2.623 -21.811
  131   2HG2  VAL  15          HG22      VAL  15  20.969   1.516 -23.187
  132   3HG2  VAL  15          HG23      VAL  15  22.481   1.867 -22.360
  133    H    GLY  16           H        GLY  16  23.010   6.005 -20.818
  134   1HA   GLY  16          HA2       GLY  16  21.996   7.458 -19.411
  135   2HA   GLY  16          HA3       GLY  16  20.834   7.792 -20.701
  136    H    PHE  17           H        PHE  17  20.814   4.460 -19.770
  137    HA   PHE  17           HA       PHE  17  18.097   4.683 -19.321
  138   1HB   PHE  17          HB2       PHE  17  19.233   2.653 -20.142
  139   2HB   PHE  17          HB3       PHE  17  19.910   2.386 -18.534
  140    HD1  PHE  17           HD2      PHE  17  16.387   3.401 -19.471
  141    HD2  PHE  17           HD1      PHE  17  18.950   0.310 -17.900
  142    HE1  PHE  17           HE2      PHE  17  14.410   2.101 -18.843
  143    HE2  PHE  17           HE1      PHE  17  16.949  -1.024 -17.298
  144    HZ   PHE  17           HZ       PHE  17  14.672  -0.147 -17.779
  145    H    ARG  18           H        ARG  18  20.655   4.564 -16.775
  146    HA   ARG  18           HA       ARG  18  18.839   4.225 -14.597
  147   1HB   ARG  18          HB2       ARG  18  21.463   5.788 -14.637
  148   2HB   ARG  18          HB3       ARG  18  20.537   5.373 -13.195
  149   1HG   ARG  18          HG2       ARG  18  20.780   2.914 -13.857
  150   2HG   ARG  18          HG3       ARG  18  21.950   3.433 -15.069
  151   1HD   ARG  18          HD2       ARG  18  22.138   3.960 -12.065
  152   2HD   ARG  18          HD3       ARG  18  23.014   2.691 -12.938
  153    HE   ARG  18           HE       ARG  18  23.788   4.859 -14.321
  154   1HH1  ARG  18          HH11      ARG  18  23.830   4.268 -10.770
  155   2HH1  ARG  18          HH12      ARG  18  25.145   5.339 -10.525
  156   1HH2  ARG  18          HH21      ARG  18  25.514   6.283 -13.908
  157   2HH2  ARG  18          HH22      ARG  18  26.122   6.498 -12.315
  158    H    TYR  19           H        TYR  19  19.772   7.190 -16.385
  159    HA   TYR  19           HA       TYR  19  18.319   8.954 -14.615
  160   1HB   TYR  19          HB2       TYR  19  19.207   9.372 -17.499
  161   2HB   TYR  19          HB3       TYR  19  18.605  10.611 -16.413
  162    HD1  TYR  19           HD2      TYR  19  19.926  11.282 -14.377
  163    HD2  TYR  19           HD1      TYR  19  21.516   8.608 -17.366
  164    HE1  TYR  19           HE2      TYR  19  22.203  11.657 -13.489
  165    HE2  TYR  19           HE1      TYR  19  23.800   8.966 -16.479
  166    HH   TYR  19           HH       TYR  19  24.468  11.138 -13.690
  167    H    PHE  20           H        PHE  20  17.534   7.223 -17.693
  168    HA   PHE  20           HA       PHE  20  14.974   8.346 -18.078
  169   1HB   PHE  20          HB2       PHE  20  16.189   6.849 -19.692
  170   2HB   PHE  20          HB3       PHE  20  15.803   5.469 -18.663
  171    HD1  PHE  20           HD2      PHE  20  14.294   8.151 -20.783
  172    HD2  PHE  20           HD1      PHE  20  13.654   4.412 -18.721
  173    HE1  PHE  20           HE2      PHE  20  12.099   7.895 -21.914
  174    HE2  PHE  20           HE1      PHE  20  11.477   4.151 -19.877
  175    HZ   PHE  20           HZ       PHE  20  10.690   5.893 -21.467
  176    H    VAL  21           H        VAL  21  15.880   5.350 -16.278
  177    HA   VAL  21           HA       VAL  21  13.302   4.779 -15.268
  178    HB   VAL  21           HB       VAL  21  16.083   4.156 -14.183
  179   1HG1  VAL  21          HG11      VAL  21  15.045   2.303 -12.955
  180   2HG1  VAL  21          HG12      VAL  21  14.369   3.832 -12.400
  181   3HG1  VAL  21          HG13      VAL  21  13.444   2.792 -13.520
  182   1HG2  VAL  21          HG21      VAL  21  15.636   3.219 -16.440
  183   2HG2  VAL  21          HG22      VAL  21  15.724   1.942 -15.234
  184   3HG2  VAL  21          HG23      VAL  21  14.146   2.481 -15.853
  185    H    GLN  22           H        GLN  22  15.916   6.889 -13.925
  186    HA   GLN  22           HA       GLN  22  14.683   7.461 -11.478
  187   1HB   GLN  22          HB2       GLN  22  17.051   8.142 -12.365
  188   2HB   GLN  22          HB3       GLN  22  16.277   9.498 -13.124
  189   1HG   GLN  22          HG2       GLN  22  17.101  10.288 -11.051
  190   2HG   GLN  22          HG3       GLN  22  15.346  10.174 -10.857
  191   1HE2  GLN  22          HE22      GLN  22  17.047   7.130 -10.848
  192   2HE2  GLN  22          HE21      GLN  22  17.010   6.866  -9.114
  193    H    MET  23           H        MET  23  14.327   9.171 -14.615
  194    HA   MET  23           HA       MET  23  12.570  11.166 -13.521
  195   1HB   MET  23          HB2       MET  23  13.201  10.322 -16.381
  196   2HB   MET  23          HB3       MET  23  12.247  11.750 -15.937
  197   1HG   MET  23          HG2       MET  23  14.133  12.701 -14.706
  198   2HG   MET  23          HG3       MET  23  15.088  11.250 -14.942
  199   1HE   MET  23          HE1       MET  23  13.640  14.502 -16.543
  200   2HE   MET  23          HE2       MET  23  14.125  14.367 -18.247
  201   3HE   MET  23          HE3       MET  23  12.858  13.306 -17.604
  202    H    GLU  24           H        GLU  24  11.993   8.059 -15.255
  203    HA   GLU  24           HA       GLU  24   9.144   8.493 -15.403
  204   1HB   GLU  24          HB2       GLU  24  10.827   5.966 -15.639
  205   2HB   GLU  24          HB3       GLU  24   9.091   6.035 -15.935
  206   1HG   GLU  24          HG2       GLU  24  11.258   7.494 -17.503
  207   2HG   GLU  24          HG3       GLU  24  10.279   6.147 -18.053
  208    H    ALA  25           H        ALA  25  11.245   7.147 -12.842
  209    HA   ALA  25           HA       ALA  25   9.025   6.169 -11.249
  210   1HB   ALA  25          HB1       ALA  25  11.796   7.123 -10.389
  211   2HB   ALA  25          HB2       ALA  25  10.649   6.182  -9.416
  212   3HB   ALA  25          HB3       ALA  25  11.388   5.465 -10.856
  213    H    ASP  26           H        ASP  26  10.921   9.212 -11.392
  214    HA   ASP  26           HA       ASP  26   9.696  10.503  -9.205
  215   1HB   ASP  26          HB2       ASP  26  11.819  11.240 -10.138
  216   2HB   ASP  26          HB3       ASP  26  11.047  11.660 -11.670
  217    H    LYS  27           H        LYS  27   8.867  10.717 -12.743
  218    HA   LYS  27           HA       LYS  27   6.745  12.545 -12.338
  219   1HB   LYS  27          HB2       LYS  27   6.138  12.234 -14.550
  220   2HB   LYS  27          HB3       LYS  27   7.859  11.934 -14.520
  221   1HG   LYS  27          HG2       LYS  27   7.220  10.222 -15.872
  222   2HG   LYS  27          HG3       LYS  27   7.103   9.386 -14.325
  223   1HD   LYS  27          HD2       LYS  27   4.639   9.848 -14.294
  224   2HD   LYS  27          HD3       LYS  27   4.777  10.697 -15.825
  225   1HE   LYS  27          HE2       LYS  27   5.469   7.748 -15.402
  226   2HE   LYS  27          HE3       LYS  27   3.890   8.345 -15.931
  227   1HZ   LYS  27          HZ1       LYS  27   5.049   7.747 -17.847
  228   2HZ   LYS  27          HZ2       LYS  27   5.109   9.375 -17.854
  229   3HZ   LYS  27          HZ3       LYS  27   6.432   8.477 -17.422
  230    H    ARG  28           H        ARG  28   6.893   9.148 -11.637
  231    HA   ARG  28           HA       ARG  28   3.960   9.033 -11.242
  232   1HB   ARG  28          HB2       ARG  28   5.619   7.262 -12.503
  233   2HB   ARG  28          HB3       ARG  28   5.752   6.642 -10.870
  234   1HG   ARG  28          HG2       ARG  28   4.014   5.438 -11.981
  235   2HG   ARG  28          HG3       ARG  28   3.196   6.510 -10.833
  236   1HD   ARG  28          HD2       ARG  28   2.596   8.066 -12.634
  237   2HD   ARG  28          HD3       ARG  28   3.629   7.194 -13.764
  238    HE   ARG  28           HE       ARG  28   2.018   5.638 -14.123
  239   1HH1  ARG  28          HH21      ARG  28   0.930   7.575 -11.343
  240   2HH1  ARG  28          HH22      ARG  28  -0.569   6.736 -11.197
  241   1HH2  ARG  28          HH11      ARG  28   0.144   4.439 -13.819
  242   2HH2  ARG  28          HH12      ARG  28  -1.040   4.906 -12.647
  243    H    LYS  29           H        LYS  29   6.416  10.155  -9.473
  244    HA   LYS  29           HA       LYS  29   7.013  10.325  -7.338
  245   1HB   LYS  29          HB2       LYS  29   4.015  10.060  -6.884
  246   2HB   LYS  29          HB3       LYS  29   5.184  10.731  -5.740
  247   1HG   LYS  29          HG2       LYS  29   5.771  12.521  -7.368
  248   2HG   LYS  29          HG3       LYS  29   4.591  11.866  -8.510
  249   1HD   LYS  29          HD2       LYS  29   3.608  13.752  -7.414
  250   2HD   LYS  29          HD3       LYS  29   2.767  12.289  -6.875
  251   1HE   LYS  29          HE2       LYS  29   4.089  12.307  -4.768
  252   2HE   LYS  29          HE3       LYS  29   4.974  13.731  -5.329
  253   1HZ   LYS  29          HZ1       LYS  29   2.062  13.641  -4.787
  254   2HZ   LYS  29          HZ2       LYS  29   3.184  14.329  -3.828
  255   3HZ   LYS  29          HZ3       LYS  29   2.882  14.960  -5.299
  256    H    LEU  30           H        LEU  30   7.385   7.676  -8.274
  257    HA   LEU  30           HA       LEU  30   6.658   5.854  -6.062
  258   1HB   LEU  30          HB2       LEU  30   8.481   5.606  -8.489
  259   2HB   LEU  30          HB3       LEU  30   8.335   4.341  -7.273
  260    HG   LEU  30           HG       LEU  30   6.003   5.404  -8.927
  261   1HD1  LEU  30          HD11      LEU  30   7.632   2.849  -9.195
  262   2HD1  LEU  30          HD12      LEU  30   6.155   3.243 -10.105
  263   3HD1  LEU  30          HD13      LEU  30   7.618   4.221 -10.321
  264   1HD2  LEU  30          HD21      LEU  30   4.856   3.315  -8.121
  265   2HD2  LEU  30          HD22      LEU  30   6.197   3.062  -6.987
  266   3HD2  LEU  30          HD23      LEU  30   5.150   4.498  -6.850
  267    H    ALA  31           H        ALA  31   8.465   4.727  -4.864
  268    HA   ALA  31           HA       ALA  31  10.804   6.492  -4.373
  269   1HB   ALA  31          HB1       ALA  31   9.179   6.845  -2.534
  270   2HB   ALA  31          HB2       ALA  31   9.121   5.087  -2.249
  271   3HB   ALA  31          HB3       ALA  31  10.623   5.989  -1.967
  272    H    GLY  32           H        GLY  32  12.751   5.315  -3.850
  273   1HA   GLY  32          HA2       GLY  32  13.370   2.713  -3.525
  274   2HA   GLY  32          HA3       GLY  32  12.654   2.678  -5.136
  275    H    TRP  33           H        TRP  33  14.709   2.015  -6.062
  276    HA   TRP  33           HA       TRP  33  16.482   4.277  -6.566
  277   1HB   TRP  33          HB2       TRP  33  18.528   3.054  -6.066
  278   2HB   TRP  33          HB3       TRP  33  17.557   3.302  -4.635
  279    HD1  TRP  33           HD1      TRP  33  17.918   0.357  -7.206
  280    HE1  TRP  33           HE1      TRP  33  18.222  -1.812  -5.916
  281    HE3  TRP  33           HE3      TRP  33  17.661   2.197  -2.417
  282    HZ2  TRP  33           HZ2      TRP  33  18.454  -2.657  -3.196
  283    HZ3  TRP  33           HZ3      TRP  33  17.967   0.667  -0.491
  284    HH2  TRP  33           HH2      TRP  33  18.368  -1.761  -0.859
  285    H    VAL  34           H        VAL  34  18.052   3.871  -8.283
  286    HA   VAL  34           HA       VAL  34  17.818   1.268  -9.645
  287    HB   VAL  34           HB       VAL  34  16.445   2.658 -11.026
  288   1HG1  VAL  34          HG11      VAL  34  17.276   4.895 -10.394
  289   2HG1  VAL  34          HG12      VAL  34  18.765   4.614 -11.314
  290   3HG1  VAL  34          HG13      VAL  34  17.197   4.690 -12.147
  291   1HG2  VAL  34          HG21      VAL  34  18.024   1.041 -12.120
  292   2HG2  VAL  34          HG22      VAL  34  17.538   2.387 -13.169
  293   3HG2  VAL  34          HG23      VAL  34  19.139   2.381 -12.410
  294    H    LYS  35           H        LYS  35  19.780   0.450 -10.294
  295    HA   LYS  35           HA       LYS  35  22.207   2.102 -10.202
  296   1HB   LYS  35          HB2       LYS  35  23.283   0.638  -8.532
  297   2HB   LYS  35          HB3       LYS  35  21.922   1.513  -7.858
  298   1HG   LYS  35          HG2       LYS  35  20.501  -0.467  -7.915
  299   2HG   LYS  35          HG3       LYS  35  21.729  -1.365  -8.799
  300   1HD   LYS  35          HD2       LYS  35  23.278  -0.837  -6.713
  301   2HD   LYS  35          HD3       LYS  35  21.750  -0.441  -5.912
  302   1HE   LYS  35          HE2       LYS  35  22.139  -2.743  -5.413
  303   2HE   LYS  35          HE3       LYS  35  20.899  -2.729  -6.669
  304   1HZ   LYS  35          HZ1       LYS  35  22.983  -2.961  -8.223
  305   2HZ   LYS  35          HZ2       LYS  35  23.699  -3.550  -6.871
  306   3HZ   LYS  35          HZ3       LYS  35  22.341  -4.276  -7.473
  307    H    ASN  36           H        ASN  36  24.156   0.675 -10.652
  308    HA   ASN  36           HA       ASN  36  23.796  -1.262 -12.811
  309   1HB   ASN  36          HB2       ASN  36  25.848  -0.001 -12.783
  310   2HB   ASN  36          HB3       ASN  36  26.120  -0.336 -11.068
  311   1HD2  ASN  36          HD22      ASN  36  25.923  -2.007 -14.279
  312   2HD2  ASN  36          HD21      ASN  36  26.933  -3.357 -13.776
  313    H    ARG  37           H        ARG  37  24.302  -3.553 -12.592
  314    HA   ARG  37           HA       ARG  37  24.544  -4.596  -9.822
  315   1HB   ARG  37          HB2       ARG  37  22.268  -5.095 -10.724
  316   2HB   ARG  37          HB3       ARG  37  23.006  -5.943 -12.087
  317   1HG   ARG  37          HG2       ARG  37  23.987  -7.606 -10.567
  318   2HG   ARG  37          HG3       ARG  37  23.413  -6.694  -9.155
  319   1HD   ARG  37          HD2       ARG  37  21.068  -7.052  -9.875
  320   2HD   ARG  37          HD3       ARG  37  21.632  -7.942 -11.291
  321    HE   ARG  37           HE       ARG  37  22.105  -9.782 -10.004
  322   1HH1  ARG  37          HH11      ARG  37  21.302  -7.075  -7.786
  323   2HH1  ARG  37          HH12      ARG  37  21.163  -8.109  -6.413
  324   1HH2  ARG  37          HH22      ARG  37  21.914 -11.106  -8.152
  325   2HH2  ARG  37          HH21      ARG  37  21.522 -10.430  -6.619
  326    H    ASP  38           H        ASP  38  26.305  -5.851  -9.611
  327    HA   ASP  38           HA       ASP  38  28.403  -5.325 -11.310
  328   1HB   ASP  38          HB2       ASP  38  28.613  -5.810  -8.923
  329   2HB   ASP  38          HB3       ASP  38  28.139  -7.489  -9.194
  330    H    ASP  39           H        ASP  39  26.272  -8.126 -11.447
  331    HA   ASP  39           HA       ASP  39  27.882  -9.866 -13.015
  332   1HB   ASP  39          HB2       ASP  39  25.784 -10.511 -11.862
  333   2HB   ASP  39          HB3       ASP  39  24.859  -9.532 -13.005
  334    H    GLY  40           H        GLY  40  26.375  -6.859 -13.861
  335   1HA   GLY  40          HA2       GLY  40  27.330  -5.789 -15.814
  336   2HA   GLY  40          HA3       GLY  40  27.054  -7.262 -16.751
  337    H    ARG  41           H        ARG  41  24.703  -5.802 -14.437
  338    HA   ARG  41           HA       ARG  41  22.807  -5.441 -16.727
  339   1HB   ARG  41          HB2       ARG  41  21.935  -6.490 -14.031
  340   2HB   ARG  41          HB3       ARG  41  21.079  -6.552 -15.553
  341   1HG   ARG  41          HG2       ARG  41  23.405  -8.259 -14.670
  342   2HG   ARG  41          HG3       ARG  41  21.721  -8.749 -14.897
  343   1HD   ARG  41          HD2       ARG  41  21.887  -8.847 -17.198
  344   2HD   ARG  41          HD3       ARG  41  23.229  -7.704 -17.287
  345    HE   ARG  41           HE       ARG  41  23.910 -10.144 -15.859
  346   1HH1  ARG  41          HH21      ARG  41  23.674  -8.843 -19.183
  347   2HH1  ARG  41          HH22      ARG  41  25.005  -9.805 -19.747
  348   1HH2  ARG  41          HH11      ARG  41  25.478 -11.365 -16.566
  349   2HH2  ARG  41          HH12      ARG  41  26.039 -11.378 -18.229
  350    H    VAL  42           H        VAL  42  20.710  -4.341 -15.657
  351    HA   VAL  42           HA       VAL  42  21.577  -2.213 -13.745
  352    HB   VAL  42           HB       VAL  42  19.475  -2.103 -15.952
  353   1HG1  VAL  42          HG11      VAL  42  19.032   0.223 -15.206
  354   2HG1  VAL  42          HG12      VAL  42  18.559  -0.946 -13.977
  355   3HG1  VAL  42          HG13      VAL  42  20.071  -0.028 -13.789
  356   1HG2  VAL  42          HG21      VAL  42  21.758  -1.670 -16.731
  357   2HG2  VAL  42          HG22      VAL  42  20.868  -0.148 -16.689
  358   3HG2  VAL  42          HG23      VAL  42  22.032  -0.519 -15.407
  359    H    GLU  43           H        GLU  43  20.184  -1.932 -11.980
  360    HA   GLU  43           HA       GLU  43  18.126  -4.015 -11.505
  361   1HB   GLU  43          HB2       GLU  43  20.015  -4.927 -10.464
  362   2HB   GLU  43          HB3       GLU  43  20.597  -3.355  -9.878
  363   1HG   GLU  43          HG2       GLU  43  18.800  -3.229  -8.244
  364   2HG   GLU  43          HG3       GLU  43  18.051  -4.697  -8.891
  365    H    ILE  44           H        ILE  44  16.370  -3.182 -10.615
  366    HA   ILE  44           HA       ILE  44  16.298  -0.351  -9.712
  367    HB   ILE  44           HB       ILE  44  14.287  -1.920 -11.377
  368   1HG1  ILE  44          HG12      ILE  44  15.931   0.336 -12.557
  369   2HG1  ILE  44          HG13      ILE  44  16.539  -1.308 -12.621
  370   1HG2  ILE  44          HG21      ILE  44  14.435   1.054 -10.725
  371   2HG2  ILE  44          HG22      ILE  44  13.226   0.305 -11.786
  372   3HG2  ILE  44          HG23      ILE  44  13.253  -0.103 -10.075
  373   1HD1  ILE  44          HD11      ILE  44  13.919  -0.411 -13.801
  374   2HD1  ILE  44          HD12      ILE  44  15.406  -0.860 -14.660
  375   3HD1  ILE  44          HD13      ILE  44  14.526  -2.089 -13.720
  376    H    LEU  45           H        LEU  45  14.807  -0.043  -7.968
  377    HA   LEU  45           HA       LEU  45  13.202  -2.344  -7.060
  378   1HB   LEU  45          HB2       LEU  45  15.555  -2.269  -5.942
  379   2HB   LEU  45          HB3       LEU  45  14.976  -0.838  -5.096
  380    HG   LEU  45           HG       LEU  45  13.719  -3.628  -5.015
  381   1HD1  LEU  45          HD11      LEU  45  14.714  -3.788  -2.777
  382   2HD1  LEU  45          HD12      LEU  45  15.968  -3.501  -3.993
  383   3HD1  LEU  45          HD13      LEU  45  15.421  -2.167  -2.957
  384   1HD2  LEU  45          HD21      LEU  45  11.954  -2.094  -4.439
  385   2HD2  LEU  45          HD22      LEU  45  12.574  -2.721  -2.927
  386   3HD2  LEU  45          HD23      LEU  45  13.052  -1.091  -3.461
  387    H    ALA  46           H        ALA  46  11.183  -1.517  -6.462
  388    HA   ALA  46           HA       ALA  46  10.960   1.373  -5.890
  389   1HB   ALA  46          HB1       ALA  46   9.204   1.665  -7.572
  390   2HB   ALA  46          HB2       ALA  46  10.713   1.154  -8.352
  391   3HB   ALA  46          HB3       ALA  46   9.398  -0.019  -8.106
  392    H    GLU  47           H        GLU  47   9.038   1.923  -4.863
  393    HA   GLU  47           HA       GLU  47   7.158  -0.182  -3.999
  394   1HB   GLU  47          HB2       GLU  47   8.907  -0.067  -2.318
  395   2HB   GLU  47          HB3       GLU  47   8.813   1.687  -2.242
  396   1HG   GLU  47          HG2       GLU  47   6.224   0.349  -1.666
  397   2HG   GLU  47          HG3       GLU  47   7.529  -0.165  -0.611
  398    H    GLY  48           H        GLY  48   5.058   0.648  -3.783
  399   1HA   GLY  48          HA2       GLY  48   4.176   3.207  -3.358
  400   2HA   GLY  48          HA3       GLY  48   4.556   3.199  -5.082
  401    HA   PRO  49           HA       PRO  49   0.135   1.677  -4.646
  402   1HB   PRO  49          HB2       PRO  49   0.052   3.437  -7.092
  403   2HB   PRO  49          HB3       PRO  49  -1.183   3.225  -5.816
  404   1HG   PRO  49          HG2       PRO  49   0.395   5.438  -5.867
  405   2HG   PRO  49          HG3       PRO  49   0.021   4.624  -4.312
  406   1HD   PRO  49          HD2       PRO  49   2.525   4.396  -5.996
  407   2HD   PRO  49          HD3       PRO  49   2.368   4.582  -4.224
  408    H    GLU  50           H        GLU  50  -0.709  -0.007  -5.945
  409    HA   GLU  50           HA       GLU  50   1.081  -1.504  -7.535
  410   1HB   GLU  50          HB2       GLU  50  -0.886  -2.408  -6.327
  411   2HB   GLU  50          HB3       GLU  50  -1.967  -1.567  -7.445
  412   1HG   GLU  50          HG2       GLU  50  -0.981  -2.916  -9.334
  413   2HG   GLU  50          HG3       GLU  50   0.006  -3.783  -8.158
  414    H    ASN  51           H        ASN  51  -1.577   0.726  -8.530
  415    HA   ASN  51           HA       ASN  51  -1.336   0.253 -11.323
  416   1HB   ASN  51          HB2       ASN  51  -3.298   1.341 -10.370
  417   2HB   ASN  51          HB3       ASN  51  -2.324   2.691  -9.777
  418   1HD2  ASN  51          HD22      ASN  51  -3.247   1.020 -12.871
  419   2HD2  ASN  51          HD21      ASN  51  -3.168   2.470 -13.831
  420    H    ALA  52           H        ALA  52   0.260   2.677  -9.229
  421    HA   ALA  52           HA       ALA  52   1.695   4.056 -11.276
  422   1HB   ALA  52          HB1       ALA  52   3.165   4.761  -9.372
  423   2HB   ALA  52          HB2       ALA  52   1.441   4.994  -9.023
  424   3HB   ALA  52          HB3       ALA  52   2.328   3.621  -8.319
  425    H    LEU  53           H        LEU  53   2.543   1.239  -9.214
  426    HA   LEU  53           HA       LEU  53   5.148   0.876 -10.288
  427   1HB   LEU  53          HB2       LEU  53   3.173  -0.927  -8.854
  428   2HB   LEU  53          HB3       LEU  53   4.722  -1.532  -9.391
  429    HG   LEU  53           HG       LEU  53   4.455   0.881  -7.557
  430   1HD1  LEU  53          HD11      LEU  53   5.064  -0.663  -5.744
  431   2HD1  LEU  53          HD12      LEU  53   3.506  -1.085  -6.459
  432   3HD1  LEU  53          HD13      LEU  53   4.956  -2.044  -6.858
  433   1HD2  LEU  53          HD21      LEU  53   6.845  -0.933  -8.116
  434   2HD2  LEU  53          HD22      LEU  53   6.649   0.709  -8.756
  435   3HD2  LEU  53          HD23      LEU  53   6.805   0.458  -7.017
  436    H    GLN  54           H        GLN  54   1.963  -0.488 -11.371
  437    HA   GLN  54           HA       GLN  54   3.137  -2.160 -13.370
  438   1HB   GLN  54          HB2       GLN  54   0.379  -0.888 -13.141
  439   2HB   GLN  54          HB3       GLN  54   0.828  -1.966 -14.461
  440   1HG   GLN  54          HG2       GLN  54   0.872  -2.716 -11.507
  441   2HG   GLN  54          HG3       GLN  54  -0.380  -3.155 -12.657
  442   1HE2  GLN  54          HE22      GLN  54   2.378  -4.321 -11.143
  443   2HE2  GLN  54          HE21      GLN  54   2.828  -5.550 -12.295
  444    H    SER  55           H        SER  55   1.871   1.257 -13.646
  445    HA   SER  55           HA       SER  55   2.602   1.587 -16.362
  446   1HB   SER  55          HB2       SER  55   2.788   3.657 -14.142
  447   2HB   SER  55          HB3       SER  55   2.643   3.975 -15.880
  448    HG   SER  55           HG       SER  55   0.585   2.902 -15.786
  449    H    PHE  56           H        PHE  56   4.602   1.809 -13.380
  450    HA   PHE  56           HA       PHE  56   6.884   2.767 -14.778
  451   1HB   PHE  56          HB2       PHE  56   6.448   3.116 -12.405
  452   2HB   PHE  56          HB3       PHE  56   6.673   1.406 -12.083
  453    HD1  PHE  56           HD1      PHE  56   8.570   4.063 -14.019
  454    HD2  PHE  56           HD2      PHE  56   8.683   1.068 -10.910
  455    HE1  PHE  56           HE1      PHE  56  10.961   4.558 -13.603
  456    HE2  PHE  56           HE2      PHE  56  11.070   1.578 -10.511
  457    HZ   PHE  56           HZ       PHE  56  12.183   3.365 -11.796
  458    H    VAL  57           H        VAL  57   5.739  -0.629 -14.133
  459    HA   VAL  57           HA       VAL  57   8.133  -1.810 -15.201
  460    HB   VAL  57           HB       VAL  57   5.327  -2.962 -15.514
  461   1HG1  VAL  57          HG11      VAL  57   7.058  -4.041 -16.922
  462   2HG1  VAL  57          HG12      VAL  57   8.107  -4.240 -15.505
  463   3HG1  VAL  57          HG13      VAL  57   6.564  -5.120 -15.619
  464   1HG2  VAL  57          HG21      VAL  57   5.938  -4.363 -13.498
  465   2HG2  VAL  57          HG22      VAL  57   7.305  -3.260 -13.223
  466   3HG2  VAL  57          HG23      VAL  57   5.626  -2.676 -13.148
  467    H    GLU  58           H        GLU  58   5.078  -0.623 -16.762
  468    HA   GLU  58           HA       GLU  58   5.820  -1.383 -19.379
  469   1HB   GLU  58          HB2       GLU  58   3.996   0.846 -18.409
  470   2HB   GLU  58          HB3       GLU  58   4.216   0.430 -20.111
  471   1HG   GLU  58          HG2       GLU  58   3.510  -1.901 -19.643
  472   2HG   GLU  58          HG3       GLU  58   3.215  -1.478 -17.957
  473    H    ALA  59           H        ALA  59   6.667   1.572 -17.548
  474    HA   ALA  59           HA       ALA  59   8.074   2.821 -19.689
  475   1HB   ALA  59          HB1       ALA  59   8.492   3.082 -16.679
  476   2HB   ALA  59          HB2       ALA  59   9.123   4.169 -17.925
  477   3HB   ALA  59          HB3       ALA  59   7.372   4.045 -17.671
  478    H    VAL  60           H        VAL  60   9.228   0.747 -16.955
  479    HA   VAL  60           HA       VAL  60  11.964   0.893 -17.598
  480    HB   VAL  60           HB       VAL  60  10.234  -0.987 -15.963
  481   1HG1  VAL  60          HG11      VAL  60  13.256  -1.148 -16.199
  482   2HG1  VAL  60          HG12      VAL  60  12.273  -1.930 -14.941
  483   3HG1  VAL  60          HG13      VAL  60  12.090  -2.418 -16.626
  484   1HG2  VAL  60          HG21      VAL  60  11.297   0.138 -14.075
  485   2HG2  VAL  60          HG22      VAL  60  12.414   0.998 -15.155
  486   3HG2  VAL  60          HG23      VAL  60  10.691   1.382 -15.169
  487    H    LYS  61           H        LYS  61   9.509  -1.567 -18.617
  488    HA   LYS  61           HA       LYS  61  11.438  -3.278 -19.789
  489   1HB   LYS  61          HB2       LYS  61   9.641  -4.483 -20.758
  490   2HB   LYS  61          HB3       LYS  61   9.165  -3.969 -19.139
  491   1HG   LYS  61          HG2       LYS  61   7.883  -2.065 -20.182
  492   2HG   LYS  61          HG3       LYS  61   8.257  -2.718 -21.778
  493   1HD   LYS  61          HD2       LYS  61   6.735  -4.174 -19.574
  494   2HD   LYS  61          HD3       LYS  61   5.998  -3.340 -20.953
  495   1HE   LYS  61          HE2       LYS  61   7.204  -4.871 -22.514
  496   2HE   LYS  61          HE3       LYS  61   7.879  -5.738 -21.129
  497   1HZ   LYS  61          HZ1       LYS  61   4.992  -5.533 -21.769
  498   2HZ   LYS  61          HZ2       LYS  61   5.925  -6.847 -21.993
  499   3HZ   LYS  61          HZ3       LYS  61   5.612  -6.330 -20.482
  500    H    ASN  62           H        ASN  62  10.302  -0.229 -21.002
  501    HA   ASN  62           HA       ASN  62  10.815  -0.778 -23.805
  502   1HB   ASN  62          HB2       ASN  62   9.400   1.139 -22.952
  503   2HB   ASN  62          HB3       ASN  62  10.877   1.896 -22.337
  504   1HD2  ASN  62          HD22      ASN  62   9.495   0.546 -25.414
  505   2HD2  ASN  62          HD21      ASN  62  10.293   1.704 -26.441
  506    H    GLY  63           H        GLY  63  12.849  -0.135 -21.008
  507   1HA   GLY  63          HA2       GLY  63  15.124   0.336 -20.829
  508   2HA   GLY  63          HA3       GLY  63  15.300   0.229 -22.580
  509    H    SER  64           H        SER  64  16.547   2.405 -22.038
  510    HA   SER  64           HA       SER  64  14.751   4.737 -22.133
  511   1HB   SER  64          HB2       SER  64  16.747   5.980 -22.778
  512   2HB   SER  64          HB3       SER  64  17.073   5.019 -21.334
  513    HG   SER  64           HG       SER  64  18.767   4.853 -22.812
  514    HA   PRO  65           HA       PRO  65  13.955   4.469 -26.616
  515   1HB   PRO  65          HB2       PRO  65  15.234   7.218 -26.604
  516   2HB   PRO  65          HB3       PRO  65  13.806   6.652 -27.531
  517   1HG   PRO  65          HG2       PRO  65  13.464   8.056 -25.237
  518   2HG   PRO  65          HG3       PRO  65  12.451   6.612 -25.560
  519   1HD   PRO  65          HD2       PRO  65  14.826   6.866 -23.724
  520   2HD   PRO  65          HD3       PRO  65  13.321   5.904 -23.528
  521    H    PHE  66           H        PHE  66  17.170   5.251 -25.305
  522    HA   PHE  66           HA       PHE  66  18.533   4.677 -27.855
  523   1HB   PHE  66          HB2       PHE  66  19.669   5.320 -25.116
  524   2HB   PHE  66          HB3       PHE  66  20.531   5.347 -26.648
  525    HD1  PHE  66           HD2      PHE  66  19.568   7.032 -28.475
  526    HD2  PHE  66           HD1      PHE  66  18.770   7.300 -24.239
  527    HE1  PHE  66           HE2      PHE  66  18.946   9.422 -28.737
  528    HE2  PHE  66           HE1      PHE  66  18.146   9.686 -24.511
  529    HZ   PHE  66           HZ       PHE  66  18.232  10.752 -26.759
  530    H    SER  67           H        SER  67  17.486   2.936 -25.025
  531    HA   SER  67           HA       SER  67  19.647   1.005 -24.934
  532   1HB   SER  67          HB2       SER  67  16.819   0.973 -23.819
  533   2HB   SER  67          HB3       SER  67  18.084  -0.173 -23.383
  534    HG   SER  67           HG       SER  67  18.309   2.646 -22.974
  535    H    LYS  68           H        LYS  68  19.146  -1.328 -25.106
  536    HA   LYS  68           HA       LYS  68  16.786  -2.127 -26.653
  537   1HB   LYS  68          HB2       LYS  68  18.610  -2.132 -28.357
  538   2HB   LYS  68          HB3       LYS  68  19.570  -3.195 -27.321
  539   1HG   LYS  68          HG2       LYS  68  17.630  -4.867 -27.420
  540   2HG   LYS  68          HG3       LYS  68  16.881  -3.803 -28.624
  541   1HD   LYS  68          HD2       LYS  68  18.944  -4.068 -30.046
  542   2HD   LYS  68          HD3       LYS  68  19.583  -5.206 -28.831
  543   1HE   LYS  68          HE2       LYS  68  17.602  -6.668 -29.163
  544   2HE   LYS  68          HE3       LYS  68  16.965  -5.541 -30.365
  545   1HZ   LYS  68          HZ1       LYS  68  19.505  -7.047 -30.631
  546   2HZ   LYS  68          HZ2       LYS  68  18.115  -7.386 -31.407
  547   3HZ   LYS  68          HZ3       LYS  68  18.907  -6.005 -31.741
  548    H    VAL  69           H        VAL  69  15.877  -2.909 -24.753
  549    HA   VAL  69           HA       VAL  69  17.314  -4.560 -22.839
  550    HB   VAL  69           HB       VAL  69  14.325  -4.327 -23.443
  551   1HG1  VAL  69          HG11      VAL  69  14.768  -6.400 -22.213
  552   2HG1  VAL  69          HG12      VAL  69  15.784  -5.532 -21.050
  553   3HG1  VAL  69          HG13      VAL  69  14.035  -5.226 -21.123
  554   1HG2  VAL  69          HG21      VAL  69  15.199  -2.156 -22.738
  555   2HG2  VAL  69          HG22      VAL  69  14.251  -2.862 -21.431
  556   3HG2  VAL  69          HG23      VAL  69  16.023  -2.900 -21.351
  557    H    THR  70           H        THR  70  17.756  -6.740 -23.075
  558    HA   THR  70           HA       THR  70  16.411  -8.216 -25.296
  559    HB   THR  70           HB       THR  70  18.470  -9.572 -25.427
  560    HG1  THR  70           HG1      THR  70  19.461  -9.327 -23.499
  561   1HG2  THR  70          HG21      THR  70  19.868  -7.925 -26.559
  562   2HG2  THR  70          HG22      THR  70  18.168  -7.572 -26.910
  563   3HG2  THR  70          HG23      THR  70  19.053  -6.588 -25.724
  564    H    ASP  71           H        ASP  71  16.978  -8.040 -21.829
  565    HA   ASP  71           HA       ASP  71  15.005 -10.136 -21.495
  566   1HB   ASP  71          HB2       ASP  71  17.075 -11.502 -21.549
  567   2HB   ASP  71          HB3       ASP  71  17.789 -10.483 -20.302
  568    H    ILE  72           H        ILE  72  14.119 -10.076 -19.340
  569    HA   ILE  72           HA       ILE  72  14.957  -8.000 -17.485
  570    HB   ILE  72           HB       ILE  72  13.602  -6.698 -18.974
  571   1HG1  ILE  72          HG12      ILE  72  11.860  -7.315 -16.557
  572   2HG1  ILE  72          HG13      ILE  72  13.362  -6.397 -16.486
  573   1HG2  ILE  72          HG21      ILE  72  11.268  -7.177 -19.559
  574   2HG2  ILE  72          HG22      ILE  72  12.300  -8.484 -20.107
  575   3HG2  ILE  72          HG23      ILE  72  11.321  -8.693 -18.639
  576   1HD1  ILE  72          HD11      ILE  72  10.866  -5.590 -18.025
  577   2HD1  ILE  72          HD12      ILE  72  11.498  -4.865 -16.545
  578   3HD1  ILE  72          HD13      ILE  72  12.418  -4.714 -18.054
  579    H    SER  73           H        SER  73  14.159  -8.422 -15.387
  580    HA   SER  73           HA       SER  73  12.665 -10.959 -14.914
  581   1HB   SER  73          HB2       SER  73  15.287 -10.090 -13.594
  582   2HB   SER  73          HB3       SER  73  14.377 -11.566 -13.241
  583    HG   SER  73           HG       SER  73  14.826 -12.282 -15.355
  584    H    VAL  74           H        VAL  74  11.480 -10.897 -12.909
  585    HA   VAL  74           HA       VAL  74  11.409  -8.286 -11.486
  586    HB   VAL  74           HB       VAL  74   9.006  -9.812 -12.586
  587   1HG1  VAL  74          HG11      VAL  74   8.407  -8.655 -10.521
  588   2HG1  VAL  74          HG12      VAL  74   9.141  -7.149 -11.099
  589   3HG1  VAL  74          HG13      VAL  74   7.699  -7.808 -11.891
  590   1HG2  VAL  74          HG21      VAL  74   8.648  -7.820 -14.055
  591   2HG2  VAL  74          HG22      VAL  74  10.246  -7.213 -13.574
  592   3HG2  VAL  74          HG23      VAL  74  10.093  -8.739 -14.464
  593    H    THR  75           H        THR  75  10.994  -8.466  -9.326
  594    HA   THR  75           HA       THR  75  10.186 -11.070  -8.145
  595    HB   THR  75           HB       THR  75  12.424  -9.286  -7.095
  596    HG1  THR  75           HG1      THR  75  13.114 -10.277  -8.973
  597   1HG2  THR  75          HG21      THR  75  12.937 -11.234  -5.657
  598   2HG2  THR  75          HG22      THR  75  11.300 -10.631  -5.358
  599   3HG2  THR  75          HG23      THR  75  11.535 -12.105  -6.325
  600    H    GLU  76           H        GLU  76   8.089 -10.294  -7.754
  601    HA   GLU  76           HA       GLU  76   7.497  -7.714  -6.608
  602   1HB   GLU  76          HB2       GLU  76   5.926 -10.321  -6.747
  603   2HB   GLU  76          HB3       GLU  76   5.291  -8.800  -6.100
  604   1HG   GLU  76          HG2       GLU  76   5.653  -7.689  -8.277
  605   2HG   GLU  76          HG3       GLU  76   6.308  -9.182  -8.952
  606    H    SER  77           H        SER  77   7.203  -7.188  -4.490
  607    HA   SER  77           HA       SER  77   8.012  -9.052  -2.329
  608   1HB   SER  77          HB2       SER  77   9.386  -6.404  -2.984
  609   2HB   SER  77          HB3       SER  77   9.755  -7.460  -1.613
  610    HG   SER  77           HG       SER  77  10.107  -8.050  -4.383
  611    H    ARG  78           H        ARG  78   7.657  -7.917  -0.136
  612    HA   ARG  78           HA       ARG  78   6.074  -5.471  -0.308
  613   1HB   ARG  78          HB2       ARG  78   4.653  -7.829  -0.298
  614   2HB   ARG  78          HB3       ARG  78   4.701  -7.477   1.431
  615   1HG   ARG  78          HG2       ARG  78   3.735  -5.235   1.009
  616   2HG   ARG  78          HG3       ARG  78   3.884  -5.488  -0.742
  617   1HD   ARG  78          HD2       ARG  78   2.344  -7.492  -0.482
  618   2HD   ARG  78          HD3       ARG  78   2.013  -6.923   1.168
  619    HE   ARG  78           HE       ARG  78   1.602  -4.699  -0.456
  620   1HH1  ARG  78          HH22      ARG  78   0.172  -7.951  -0.262
  621   2HH1  ARG  78          HH21      ARG  78  -1.296  -7.491  -1.040
  622   1HH2  ARG  78          HH11      ARG  78  -0.254  -4.115  -1.506
  623   2HH2  ARG  78          HH12      ARG  78  -1.576  -5.222  -1.747
  624    H    SER  79           H        SER  79   8.690  -6.186   0.700
  625    HA   SER  79           HA       SER  79   8.520  -5.721   3.634
  626   1HB   SER  79          HB2       SER  79  10.912  -6.323   1.835
  627   2HB   SER  79          HB3       SER  79  10.927  -6.177   3.603
  628    HG   SER  79           HG       SER  79  10.822  -8.360   2.898
  629    H    LEU  80           H        LEU  80   7.399  -3.723   2.767
  630    HA   LEU  80           HA       LEU  80   8.283  -2.152   0.748
  631   1HB   LEU  80          HB2       LEU  80   6.770  -1.145   3.188
  632   2HB   LEU  80          HB3       LEU  80   6.829  -0.361   1.622
  633    HG   LEU  80           HG       LEU  80   5.489  -2.993   2.313
  634   1HD1  LEU  80          HD11      LEU  80   4.264  -0.934   2.895
  635   2HD1  LEU  80          HD12      LEU  80   4.389  -0.375   1.214
  636   3HD1  LEU  80          HD13      LEU  80   3.448  -1.833   1.607
  637   1HD2  LEU  80          HD21      LEU  80   6.488  -3.287   0.079
  638   2HD2  LEU  80          HD22      LEU  80   4.730  -3.134  -0.033
  639   3HD2  LEU  80          HD23      LEU  80   5.752  -1.756  -0.460
  640    H    GLU  81           H        GLU  81   9.331  -0.220   0.409
  641    HA   GLU  81           HA       GLU  81  11.841  -0.027   1.707
  642   1HB   GLU  81          HB2       GLU  81  10.392   1.870  -0.205
  643   2HB   GLU  81          HB3       GLU  81  12.072   2.052   0.272
  644   1HG   GLU  81          HG2       GLU  81  10.930  -0.333  -1.232
  645   2HG   GLU  81          HG3       GLU  81  11.838   0.998  -1.942
  646    H    GLY  82           H        GLY  82   8.858   1.927   2.059
  647   1HA   GLY  82          HA2       GLY  82   8.247   3.495   3.599
  648   2HA   GLY  82          HA3       GLY  82   9.598   3.000   4.634
  649    H    HIS  83           H        HIS  83  10.504   3.877   1.414
  650    HA   HIS  83           HA       HIS  83  11.999   6.223   2.336
  651   1HB   HIS  83          HB2       HIS  83  11.782   4.662  -0.272
  652   2HB   HIS  83          HB3       HIS  83  12.628   6.197  -0.178
  653    HD1  HIS  83           HD1      HIS  83  12.955   3.302   2.449
  654    HD2  HIS  83           HD2      HIS  83  15.093   5.510  -0.444
  655    HE1  HIS  83           HE1      HIS  83  15.386   2.614   2.670
  656    H    HIS  84           H        HIS  84  11.854   8.252   0.994
  657    HA   HIS  84           HA       HIS  84   9.062   8.854   0.109
  658   1HB   HIS  84          HB2       HIS  84  10.911  10.567   1.814
  659   2HB   HIS  84          HB3       HIS  84   9.353  11.078   1.174
  660    HD1  HIS  84           HD1      HIS  84   8.353   7.828   2.185
  661    HD2  HIS  84           HD2      HIS  84   9.643  11.284   4.217
  662    HE1  HIS  84           HE1      HIS  84   7.411   7.662   4.548
  663    H    ARG  85           H        ARG  85  11.939   8.334  -1.227
  664    HA   ARG  85           HA       ARG  85  11.410  10.211  -3.391
  665   1HB   ARG  85          HB2       ARG  85  13.727  10.959  -3.572
  666   2HB   ARG  85          HB3       ARG  85  13.022  11.514  -2.064
  667   1HG   ARG  85          HG2       ARG  85  14.261   9.948  -0.747
  668   2HG   ARG  85          HG3       ARG  85  14.740   8.988  -2.152
  669   1HD   ARG  85          HD2       ARG  85  15.612  11.852  -1.661
  670   2HD   ARG  85          HD3       ARG  85  16.573  10.413  -1.264
  671    HE   ARG  85           HE       ARG  85  16.199   9.848  -3.785
  672   1HH1  ARG  85          HH21      ARG  85  17.199  12.982  -2.459
  673   2HH1  ARG  85          HH22      ARG  85  17.713  13.611  -3.980
  674   1HH2  ARG  85          HH11      ARG  85  16.586  10.744  -5.777
  675   2HH2  ARG  85          HH12      ARG  85  17.458  12.243  -5.943
  676    H    PHE  86           H        PHE  86  12.808   9.601  -5.295
  677    HA   PHE  86           HA       PHE  86  13.542   6.729  -5.288
  678   1HB   PHE  86          HB2       PHE  86  11.820   7.773  -7.008
  679   2HB   PHE  86          HB3       PHE  86  13.262   8.410  -7.778
  680    HD1  PHE  86           HD1      PHE  86  11.565   5.286  -6.616
  681    HD2  PHE  86           HD2      PHE  86  14.530   6.981  -9.199
  682    HE1  PHE  86           HE1      PHE  86  11.934   3.054  -7.636
  683    HE2  PHE  86           HE2      PHE  86  14.902   4.749 -10.248
  684    HZ   PHE  86           HZ       PHE  86  13.606   2.781  -9.447
  685    H    SER  87           H        SER  87  15.755   6.280  -6.057
  686    HA   SER  87           HA       SER  87  17.539   8.684  -6.210
  687   1HB   SER  87          HB2       SER  87  17.923   6.173  -4.541
  688   2HB   SER  87          HB3       SER  87  19.049   7.540  -4.653
  689    HG   SER  87           HG       SER  87  17.649   7.647  -2.817
  690    H    ILE  88           H        ILE  88  19.503   8.480  -7.296
  691    HA   ILE  88           HA       ILE  88  19.862   6.094  -9.048
  692    HB   ILE  88           HB       ILE  88  21.437   8.716  -9.048
  693   1HG1  ILE  88          HG12      ILE  88  19.234   7.796 -10.939
  694   2HG1  ILE  88          HG13      ILE  88  19.149   9.159  -9.804
  695   1HG2  ILE  88          HG21      ILE  88  22.654   6.682  -9.884
  696   2HG2  ILE  88          HG22      ILE  88  21.348   6.430 -11.074
  697   3HG2  ILE  88          HG23      ILE  88  22.390   7.867 -11.150
  698   1HD1  ILE  88          HD11      ILE  88  19.454  10.037 -12.001
  699   2HD1  ILE  88          HD12      ILE  88  20.971  10.285 -11.110
  700   3HD1  ILE  88          HD13      ILE  88  20.830   8.984 -12.324
  701    H    VAL  89           H        VAL  89  21.356   4.612  -8.358
  702    HA   VAL  89           HA       VAL  89  23.168   5.298  -6.098
  703    HB   VAL  89           HB       VAL  89  21.260   2.935  -6.400
  704   1HG1  VAL  89          HG11      VAL  89  22.040   2.212  -4.160
  705   2HG1  VAL  89          HG12      VAL  89  23.312   2.087  -5.365
  706   3HG1  VAL  89          HG13      VAL  89  23.315   3.445  -4.207
  707   1HG2  VAL  89          HG21      VAL  89  20.290   3.781  -4.276
  708   2HG2  VAL  89          HG22      VAL  89  21.346   5.207  -4.387
  709   3HG2  VAL  89          HG23      VAL  89  20.100   4.906  -5.620
  710    H    TYR  90           H        TYR  90  25.041   3.961  -5.999
  711    HA   TYR  90           HA       TYR  90  25.771   2.296  -8.319
  712   1HB   TYR  90          HB2       TYR  90  27.828   3.719  -8.669
  713   2HB   TYR  90          HB3       TYR  90  26.314   4.453  -9.132
  714    HD1  TYR  90           HD1      TYR  90  29.024   4.527  -6.578
  715    HD2  TYR  90           HD2      TYR  90  25.450   6.448  -8.059
  716    HE1  TYR  90           HE1      TYR  90  29.500   6.506  -5.166
  717    HE2  TYR  90           HE2      TYR  90  25.914   8.421  -6.663
  718    HH   TYR  90           HH       TYR  90  27.361   9.399  -5.108
  719    H    SER  91           H        SER  91  25.625   2.541  -5.066
  720    HA   SER  91           HA       SER  91  28.142   2.040  -4.007
  721   1HB   SER  91          HB2       SER  91  25.517   0.843  -3.045
  722   2HB   SER  91          HB3       SER  91  26.942   1.258  -2.080
  723    HG   SER  91           HG       SER  91  25.326   2.886  -1.921
  Start of MODEL   11
    1   1H    MET   1          H1        MET   1  -0.929   0.548  -1.277
    2   2H    MET   1          H2        MET   1  -1.020  -0.904  -2.042
    3   3H    MET   1          H3        MET   1  -0.399  -0.823  -0.537
    4    HA   MET   1           HA       MET   1   0.804   0.304  -2.974
    5   1HB   MET   1          HB2       MET   1   1.688   0.524  -0.064
    6   2HB   MET   1          HB3       MET   1   2.804   0.695  -1.415
    7   1HG   MET   1          HG2       MET   1   2.159   2.872  -0.736
    8   2HG   MET   1          HG3       MET   1   1.469   2.563  -2.321
    9   1HE   MET   1          HE1       MET   1  -0.026   4.698  -2.132
   10   2HE   MET   1          HE2       MET   1  -1.079   5.056  -0.747
   11   3HE   MET   1          HE3       MET   1   0.686   5.037  -0.538
   12    H    LEU   2           H        LEU   2   2.775  -0.776  -3.630
   13    HA   LEU   2           HA       LEU   2   3.291  -3.470  -2.507
   14   1HB   LEU   2          HB2       LEU   2   2.710  -2.827  -5.433
   15   2HB   LEU   2          HB3       LEU   2   3.538  -4.289  -4.915
   16    HG   LEU   2           HG       LEU   2   0.673  -3.557  -4.223
   17   1HD1  LEU   2          HD11      LEU   2   1.820  -5.748  -6.009
   18   2HD1  LEU   2          HD12      LEU   2   0.101  -5.407  -5.715
   19   3HD1  LEU   2          HD13      LEU   2   1.100  -4.238  -6.590
   20   1HD2  LEU   2          HD21      LEU   2   2.319  -6.031  -3.505
   21   2HD2  LEU   2          HD22      LEU   2   1.587  -4.867  -2.378
   22   3HD2  LEU   2          HD23      LEU   2   0.550  -5.907  -3.354
   23    H    GLN   3           H        GLN   3   5.331  -4.320  -3.615
   24    HA   GLN   3           HA       GLN   3   7.292  -2.207  -4.233
   25   1HB   GLN   3          HB2       GLN   3   7.325  -2.753  -1.806
   26   2HB   GLN   3          HB3       GLN   3   7.584  -4.446  -2.162
   27   1HG   GLN   3          HG2       GLN   3   9.586  -2.438  -3.229
   28   2HG   GLN   3          HG3       GLN   3   9.515  -2.717  -1.500
   29   1HE2  GLN   3          HE22      GLN   3  11.533  -3.745  -1.226
   30   2HE2  GLN   3          HE21      GLN   3  11.856  -5.316  -1.938
   31    H    TYR   4           H        TYR   4   8.946  -3.013  -5.680
   32    HA   TYR   4           HA       TYR   4   9.126  -5.870  -5.983
   33   1HB   TYR   4          HB2       TYR   4   9.153  -5.926  -8.451
   34   2HB   TYR   4          HB3       TYR   4   7.592  -5.648  -7.735
   35    HD1  TYR   4           HD2      TYR   4  10.235  -3.009  -8.568
   36    HD2  TYR   4           HD1      TYR   4   6.423  -4.822  -9.518
   37    HE1  TYR   4           HE2      TYR   4   9.818  -1.258 -10.233
   38    HE2  TYR   4           HE1      TYR   4   5.996  -3.044 -11.158
   39    HH   TYR   4           HH       TYR   4   6.771  -1.061 -12.106
   40    H    ARG   5           H        ARG   5  10.980  -6.502  -7.290
   41    HA   ARG   5           HA       ARG   5  13.118  -4.465  -7.538
   42   1HB   ARG   5          HB2       ARG   5  13.382  -6.033  -5.510
   43   2HB   ARG   5          HB3       ARG   5  13.581  -7.355  -6.664
   44   1HG   ARG   5          HG2       ARG   5  15.607  -6.245  -7.586
   45   2HG   ARG   5          HG3       ARG   5  15.330  -4.852  -6.518
   46   1HD   ARG   5          HD2       ARG   5  15.408  -6.497  -4.560
   47   2HD   ARG   5          HD3       ARG   5  16.025  -7.706  -5.699
   48    HE   ARG   5           HE       ARG   5  17.831  -5.836  -6.151
   49   1HH1  ARG   5          HH21      ARG   5  16.633  -6.978  -3.008
   50   2HH1  ARG   5          HH22      ARG   5  17.969  -6.339  -2.127
   51   1HH2  ARG   5          HH11      ARG   5  19.426  -4.806  -5.002
   52   2HH2  ARG   5          HH12      ARG   5  19.689  -5.173  -3.311
   53    H    ILE   6           H        ILE   6  14.037  -4.599  -9.585
   54    HA   ILE   6           HA       ILE   6  13.139  -6.754 -11.408
   55    HB   ILE   6           HB       ILE   6  12.931  -3.736 -11.808
   56   1HG1  ILE   6          HG12      ILE   6  10.924  -6.008 -11.755
   57   2HG1  ILE   6          HG13      ILE   6  11.035  -4.663 -10.631
   58   1HG2  ILE   6          HG21      ILE   6  13.864  -4.774 -13.875
   59   2HG2  ILE   6          HG22      ILE   6  12.479  -5.886 -13.921
   60   3HG2  ILE   6          HG23      ILE   6  12.256  -4.135 -14.120
   61   1HD1  ILE   6          HD11      ILE   6   9.145  -4.318 -12.046
   62   2HD1  ILE   6          HD12      ILE   6  10.373  -3.110 -12.493
   63   3HD1  ILE   6          HD13      ILE   6  10.089  -4.543 -13.518
   64    H    ILE   7           H        ILE   7  14.695  -7.314 -12.900
   65    HA   ILE   7           HA       ILE   7  17.319  -5.928 -12.738
   66    HB   ILE   7           HB       ILE   7  16.923  -8.921 -13.071
   67   1HG1  ILE   7          HG12      ILE   7  16.274  -8.430 -10.776
   68   2HG1  ILE   7          HG13      ILE   7  17.786  -9.308 -10.844
   69   1HG2  ILE   7          HG21      ILE   7  18.945  -8.155 -14.122
   70   2HG2  ILE   7          HG22      ILE   7  19.429  -7.254 -12.666
   71   3HG2  ILE   7          HG23      ILE   7  19.365  -9.035 -12.653
   72   1HD1  ILE   7          HD11      ILE   7  17.849  -7.560  -9.126
   73   2HD1  ILE   7          HD12      ILE   7  19.050  -7.232 -10.390
   74   3HD1  ILE   7          HD13      ILE   7  17.539  -6.314 -10.339
   75    H    VAL   8           H        VAL   8  18.276  -5.650 -14.796
   76    HA   VAL   8           HA       VAL   8  16.643  -6.430 -17.163
   77    HB   VAL   8           HB       VAL   8  17.743  -3.630 -16.678
   78   1HG1  VAL   8          HG11      VAL   8  16.179  -2.993 -18.471
   79   2HG1  VAL   8          HG12      VAL   8  17.275  -4.250 -19.047
   80   3HG1  VAL   8          HG13      VAL   8  15.610  -4.671 -18.591
   81   1HG2  VAL   8          HG21      VAL   8  16.043  -3.887 -14.957
   82   2HG2  VAL   8          HG22      VAL   8  15.384  -2.901 -16.262
   83   3HG2  VAL   8          HG23      VAL   8  14.909  -4.605 -16.130
   84    H    ASP   9           H        ASP   9  17.835  -6.677 -19.057
   85    HA   ASP   9           HA       ASP   9  20.781  -6.273 -19.019
   86   1HB   ASP   9          HB2       ASP   9  20.262  -8.635 -18.384
   87   2HB   ASP   9          HB3       ASP   9  19.272  -8.789 -19.829
   88    H    GLY  10           H        GLY  10  21.635  -5.998 -21.157
   89   1HA   GLY  10          HA2       GLY  10  20.937  -6.298 -23.625
   90   2HA   GLY  10          HA3       GLY  10  19.632  -5.193 -23.188
   91    H    ARG  11           H        ARG  11  20.464  -3.638 -24.696
   92    HA   ARG  11           HA       ARG  11  23.016  -2.271 -24.076
   93   1HB   ARG  11          HB2       ARG  11  22.147  -2.297 -26.435
   94   2HB   ARG  11          HB3       ARG  11  20.752  -1.353 -25.906
   95   1HG   ARG  11          HG2       ARG  11  22.409   0.410 -25.037
   96   2HG   ARG  11          HG3       ARG  11  23.684  -0.546 -25.809
   97   1HD   ARG  11          HD2       ARG  11  22.350  -0.286 -27.991
   98   2HD   ARG  11          HD3       ARG  11  21.342   0.884 -27.124
   99    HE   ARG  11           HE       ARG  11  24.303   1.200 -27.209
  100   1HH1  ARG  11          HH21      ARG  11  21.128   2.610 -28.080
  101   2HH1  ARG  11          HH22      ARG  11  21.835   3.948 -28.906
  102   1HH2  ARG  11          HH11      ARG  11  25.181   3.074 -28.149
  103   2HH2  ARG  11          HH12      ARG  11  24.164   4.273 -28.845
  104    H    VAL  12           H        VAL  12  22.608  -1.994 -21.837
  105    HA   VAL  12           HA       VAL  12  20.759   0.255 -21.229
  106    HB   VAL  12           HB       VAL  12  20.355  -0.794 -19.017
  107   1HG1  VAL  12          HG11      VAL  12  18.668  -2.352 -19.767
  108   2HG1  VAL  12          HG12      VAL  12  18.732  -0.985 -20.885
  109   3HG1  VAL  12          HG13      VAL  12  19.457  -2.541 -21.345
  110   1HG2  VAL  12          HG21      VAL  12  22.301  -2.353 -18.929
  111   2HG2  VAL  12          HG22      VAL  12  20.753  -3.151 -18.619
  112   3HG2  VAL  12          HG23      VAL  12  21.542  -3.344 -20.190
  113    H    GLN  13           H        GLN  13  23.764  -0.094 -21.859
  114    HA   GLN  13           HA       GLN  13  24.517   2.056 -20.050
  115   1HB   GLN  13          HB2       GLN  13  26.421  -0.278 -20.609
  116   2HB   GLN  13          HB3       GLN  13  26.846   1.262 -19.892
  117   1HG   GLN  13          HG2       GLN  13  26.684   0.018 -18.009
  118   2HG   GLN  13          HG3       GLN  13  25.074   0.711 -18.056
  119   1HE2  GLN  13          HE22      GLN  13  25.097  -1.326 -16.471
  120   2HE2  GLN  13          HE21      GLN  13  24.681  -2.870 -17.193
  121    H    GLY  14           H        GLY  14  26.359   3.288 -21.130
  122   1HA   GLY  14          HA2       GLY  14  27.049   4.459 -22.990
  123   2HA   GLY  14          HA3       GLY  14  26.604   3.092 -24.028
  124    H    VAL  15           H        VAL  15  24.144   4.130 -21.833
  125    HA   VAL  15           HA       VAL  15  22.751   5.974 -23.598
  126    HB   VAL  15           HB       VAL  15  20.668   4.556 -23.461
  127   1HG1  VAL  15          HG11      VAL  15  21.161   3.144 -25.363
  128   2HG1  VAL  15          HG12      VAL  15  22.026   4.678 -25.546
  129   3HG1  VAL  15          HG13      VAL  15  22.896   3.212 -25.040
  130   1HG2  VAL  15          HG21      VAL  15  20.874   2.101 -23.169
  131   2HG2  VAL  15          HG22      VAL  15  22.562   2.276 -22.732
  132   3HG2  VAL  15          HG23      VAL  15  21.310   2.957 -21.675
  133    H    GLY  16           H        GLY  16  21.024   7.030 -22.308
  134   1HA   GLY  16          HA2       GLY  16  21.986   7.471 -19.624
  135   2HA   GLY  16          HA3       GLY  16  20.685   8.329 -20.455
  136    H    PHE  17           H        PHE  17  20.847   4.784 -19.779
  137    HA   PHE  17           HA       PHE  17  18.090   4.820 -19.217
  138   1HB   PHE  17          HB2       PHE  17  19.364   2.867 -20.105
  139   2HB   PHE  17          HB3       PHE  17  20.064   2.621 -18.507
  140    HD1  PHE  17           HD2      PHE  17  16.524   3.430 -19.601
  141    HD2  PHE  17           HD1      PHE  17  19.138   0.594 -17.668
  142    HE1  PHE  17           HE2      PHE  17  14.586   2.081 -18.992
  143    HE2  PHE  17           HE1      PHE  17  17.177  -0.829 -17.138
  144    HZ   PHE  17           HZ       PHE  17  14.892  -0.106 -17.810
  145    H    ARG  18           H        ARG  18  20.829   4.965 -16.932
  146    HA   ARG  18           HA       ARG  18  19.377   4.614 -14.509
  147   1HB   ARG  18          HB2       ARG  18  21.786   6.341 -15.239
  148   2HB   ARG  18          HB3       ARG  18  21.127   6.301 -13.605
  149   1HG   ARG  18          HG2       ARG  18  21.584   3.945 -13.359
  150   2HG   ARG  18          HG3       ARG  18  22.088   3.792 -15.051
  151   1HD   ARG  18          HD2       ARG  18  24.060   5.043 -14.736
  152   2HD   ARG  18          HD3       ARG  18  23.489   5.792 -13.251
  153    HE   ARG  18           HE       ARG  18  24.857   3.252 -13.542
  154   1HH1  ARG  18          HH21      ARG  18  22.672   5.088 -11.428
  155   2HH1  ARG  18          HH22      ARG  18  23.237   4.308  -9.970
  156   1HH2  ARG  18          HH11      ARG  18  25.656   2.321 -11.496
  157   2HH2  ARG  18          HH12      ARG  18  24.898   2.854 -10.016
  158    H    TYR  19           H        TYR  19  19.846   7.585 -16.479
  159    HA   TYR  19           HA       TYR  19  18.319   9.277 -14.721
  160   1HB   TYR  19          HB2       TYR  19  20.050  10.093 -16.281
  161   2HB   TYR  19          HB3       TYR  19  19.094   9.570 -17.656
  162    HD1  TYR  19           HD1      TYR  19  17.071  10.797 -18.361
  163    HD2  TYR  19           HD2      TYR  19  19.469  12.117 -15.022
  164    HE1  TYR  19           HE1      TYR  19  15.997  13.025 -18.477
  165    HE2  TYR  19           HE2      TYR  19  18.420  14.353 -15.144
  166    HH   TYR  19           HH       TYR  19  16.889  15.718 -16.267
  167    H    PHE  20           H        PHE  20  17.551   7.422 -17.733
  168    HA   PHE  20           HA       PHE  20  14.933   8.351 -18.120
  169   1HB   PHE  20          HB2       PHE  20  16.245   6.860 -19.681
  170   2HB   PHE  20          HB3       PHE  20  15.912   5.497 -18.611
  171    HD1  PHE  20           HD2      PHE  20  14.276   8.062 -20.791
  172    HD2  PHE  20           HD1      PHE  20  13.846   4.317 -18.691
  173    HE1  PHE  20           HE2      PHE  20  12.116   7.656 -21.947
  174    HE2  PHE  20           HE1      PHE  20  11.705   3.901 -19.876
  175    HZ   PHE  20           HZ       PHE  20  10.832   5.571 -21.496
  176    H    VAL  21           H        VAL  21  15.994   5.443 -16.272
  177    HA   VAL  21           HA       VAL  21  13.430   4.766 -15.279
  178    HB   VAL  21           HB       VAL  21  16.241   4.224 -14.232
  179   1HG1  VAL  21          HG11      VAL  21  13.679   2.722 -13.578
  180   2HG1  VAL  21          HG12      VAL  21  15.306   2.338 -13.014
  181   3HG1  VAL  21          HG13      VAL  21  14.530   3.812 -12.448
  182   1HG2  VAL  21          HG21      VAL  21  15.963   2.025 -15.328
  183   2HG2  VAL  21          HG22      VAL  21  14.340   2.486 -15.888
  184   3HG2  VAL  21          HG23      VAL  21  15.768   3.308 -16.516
  185    H    GLN  22           H        GLN  22  15.993   6.940 -13.913
  186    HA   GLN  22           HA       GLN  22  14.755   7.398 -11.439
  187   1HB   GLN  22          HB2       GLN  22  17.089   8.195 -12.255
  188   2HB   GLN  22          HB3       GLN  22  16.279   9.504 -13.062
  189   1HG   GLN  22          HG2       GLN  22  16.969  10.428 -11.022
  190   2HG   GLN  22          HG3       GLN  22  15.243  10.137 -10.783
  191   1HE2  GLN  22          HE22      GLN  22  16.839   7.144 -10.710
  192   2HE2  GLN  22          HE21      GLN  22  17.015   6.986  -8.978
  193    H    MET  23           H        MET  23  14.301   9.189 -14.529
  194    HA   MET  23           HA       MET  23  12.443  10.998 -13.251
  195   1HB   MET  23          HB2       MET  23  13.227  10.607 -16.161
  196   2HB   MET  23          HB3       MET  23  12.191  11.915 -15.563
  197   1HG   MET  23          HG2       MET  23  15.028  11.371 -14.580
  198   2HG   MET  23          HG3       MET  23  14.595  12.589 -15.782
  199   1HE   MET  23          HE1       MET  23  16.295  12.976 -13.075
  200   2HE   MET  23          HE2       MET  23  16.007  14.346 -14.176
  201   3HE   MET  23          HE3       MET  23  15.665  14.514 -12.442
  202    H    GLU  24           H        GLU  24  12.070   8.045 -15.252
  203    HA   GLU  24           HA       GLU  24   9.227   8.325 -15.513
  204   1HB   GLU  24          HB2       GLU  24  11.091   5.926 -15.667
  205   2HB   GLU  24          HB3       GLU  24   9.352   5.803 -15.924
  206   1HG   GLU  24          HG2       GLU  24  11.227   7.552 -17.580
  207   2HG   GLU  24          HG3       GLU  24  10.603   5.975 -18.048
  208    H    ALA  25           H        ALA  25  11.274   7.000 -12.882
  209    HA   ALA  25           HA       ALA  25   9.037   5.975 -11.362
  210   1HB   ALA  25          HB1       ALA  25  11.781   6.958 -10.450
  211   2HB   ALA  25          HB2       ALA  25  10.641   6.002  -9.493
  212   3HB   ALA  25          HB3       ALA  25  11.395   5.301 -10.929
  213    H    ASP  26           H        ASP  26  10.896   9.050 -11.343
  214    HA   ASP  26           HA       ASP  26   9.605  10.226  -9.137
  215   1HB   ASP  26          HB2       ASP  26  11.735  11.034 -10.008
  216   2HB   ASP  26          HB3       ASP  26  10.970  11.525 -11.523
  217    H    LYS  27           H        LYS  27   8.843  10.597 -12.672
  218    HA   LYS  27           HA       LYS  27   6.679  12.372 -12.190
  219   1HB   LYS  27          HB2       LYS  27   6.093  12.129 -14.479
  220   2HB   LYS  27          HB3       LYS  27   7.841  12.124 -14.343
  221   1HG   LYS  27          HG2       LYS  27   7.568  10.480 -15.880
  222   2HG   LYS  27          HG3       LYS  27   7.599   9.506 -14.412
  223   1HD   LYS  27          HD2       LYS  27   5.119   9.364 -14.451
  224   2HD   LYS  27          HD3       LYS  27   5.065  10.398 -15.879
  225   1HE   LYS  27          HE2       LYS  27   6.500   7.705 -15.737
  226   2HE   LYS  27          HE3       LYS  27   4.834   7.899 -16.293
  227   1HZ   LYS  27          HZ1       LYS  27   6.463   7.833 -18.105
  228   2HZ   LYS  27          HZ2       LYS  27   5.631   9.262 -18.119
  229   3HZ   LYS  27          HZ3       LYS  27   7.200   9.141 -17.588
  230    H    ARG  28           H        ARG  28   6.882   8.985 -11.598
  231    HA   ARG  28           HA       ARG  28   3.924   8.790 -11.359
  232   1HB   ARG  28          HB2       ARG  28   5.692   7.068 -12.637
  233   2HB   ARG  28          HB3       ARG  28   5.607   6.344 -11.047
  234   1HG   ARG  28          HG2       ARG  28   3.959   5.294 -12.403
  235   2HG   ARG  28          HG3       ARG  28   3.056   6.350 -11.300
  236   1HD   ARG  28          HD2       ARG  28   2.795   8.032 -13.064
  237   2HD   ARG  28          HD3       ARG  28   3.839   7.093 -14.151
  238    HE   ARG  28           HE       ARG  28   1.843   5.320 -13.559
  239   1HH1  ARG  28          HH21      ARG  28   1.671   8.675 -14.718
  240   2HH1  ARG  28          HH22      ARG  28   0.337   8.379 -15.765
  241   1HH2  ARG  28          HH11      ARG  28   0.208   4.894 -15.040
  242   2HH2  ARG  28          HH12      ARG  28  -0.579   6.185 -15.893
  243    H    LYS  29           H        LYS  29   6.241   9.932  -9.515
  244    HA   LYS  29           HA       LYS  29   6.763  10.092  -7.367
  245   1HB   LYS  29          HB2       LYS  29   3.781   9.602  -7.029
  246   2HB   LYS  29          HB3       LYS  29   4.850  10.349  -5.834
  247   1HG   LYS  29          HG2       LYS  29   5.385  12.172  -7.431
  248   2HG   LYS  29          HG3       LYS  29   4.258  11.470  -8.610
  249   1HD   LYS  29          HD2       LYS  29   2.404  11.708  -6.987
  250   2HD   LYS  29          HD3       LYS  29   3.500  12.464  -5.824
  251   1HE   LYS  29          HE2       LYS  29   2.869  13.537  -8.617
  252   2HE   LYS  29          HE3       LYS  29   2.081  14.076  -7.134
  253   1HZ   LYS  29          HZ1       LYS  29   3.856  15.564  -7.745
  254   2HZ   LYS  29          HZ2       LYS  29   4.236  14.850  -6.334
  255   3HZ   LYS  29          HZ3       LYS  29   4.969  14.378  -7.720
  256    H    LEU  30           H        LEU  30   7.349   7.484  -8.331
  257    HA   LEU  30           HA       LEU  30   6.746   5.618  -6.114
  258   1HB   LEU  30          HB2       LEU  30   8.632   5.475  -8.502
  259   2HB   LEU  30          HB3       LEU  30   8.470   4.194  -7.302
  260    HG   LEU  30           HG       LEU  30   6.203   5.207  -9.073
  261   1HD1  LEU  30          HD11      LEU  30   7.811   2.633  -9.244
  262   2HD1  LEU  30          HD12      LEU  30   6.428   3.088 -10.255
  263   3HD1  LEU  30          HD13      LEU  30   7.933   4.017 -10.350
  264   1HD2  LEU  30          HD21      LEU  30   5.076   3.085  -8.306
  265   2HD2  LEU  30          HD22      LEU  30   6.341   2.907  -7.077
  266   3HD2  LEU  30          HD23      LEU  30   5.243   4.313  -7.055
  267    H    ALA  31           H        ALA  31   8.612   4.663  -4.886
  268    HA   ALA  31           HA       ALA  31  10.946   6.463  -4.575
  269   1HB   ALA  31          HB1       ALA  31   9.367   5.278  -2.247
  270   2HB   ALA  31          HB2       ALA  31  10.828   6.284  -2.149
  271   3HB   ALA  31          HB3       ALA  31   9.319   6.989  -2.743
  272    H    GLY  32           H        GLY  32  12.873   5.273  -3.876
  273   1HA   GLY  32          HA2       GLY  32  13.457   2.702  -3.400
  274   2HA   GLY  32          HA3       GLY  32  12.743   2.572  -5.009
  275    H    TRP  33           H        TRP  33  14.749   1.974  -6.061
  276    HA   TRP  33           HA       TRP  33  16.506   4.237  -6.555
  277   1HB   TRP  33          HB2       TRP  33  18.573   3.099  -6.040
  278   2HB   TRP  33          HB3       TRP  33  17.593   3.285  -4.608
  279    HD1  TRP  33           HD1      TRP  33  18.372   0.437  -7.177
  280    HE1  TRP  33           HE1      TRP  33  18.738  -1.759  -5.887
  281    HE3  TRP  33           HE3      TRP  33  17.289   2.089  -2.442
  282    HZ2  TRP  33           HZ2      TRP  33  18.674  -2.636  -3.181
  283    HZ3  TRP  33           HZ3      TRP  33  17.478   0.539  -0.518
  284    HH2  TRP  33           HH2      TRP  33  18.181  -1.822  -0.865
  285    H    VAL  34           H        VAL  34  18.091   3.854  -8.254
  286    HA   VAL  34           HA       VAL  34  17.831   1.297  -9.708
  287    HB   VAL  34           HB       VAL  34  16.549   2.799 -11.054
  288   1HG1  VAL  34          HG11      VAL  34  17.417   4.980 -10.298
  289   2HG1  VAL  34          HG12      VAL  34  18.931   4.696 -11.176
  290   3HG1  VAL  34          HG13      VAL  34  17.402   4.857 -12.064
  291   1HG2  VAL  34          HG21      VAL  34  19.278   2.481 -12.376
  292   2HG2  VAL  34          HG22      VAL  34  18.066   1.196 -12.215
  293   3HG2  VAL  34          HG23      VAL  34  17.713   2.634 -13.184
  294    H    LYS  35           H        LYS  35  19.801   0.447 -10.325
  295    HA   LYS  35           HA       LYS  35  22.201   2.089 -10.286
  296   1HB   LYS  35          HB2       LYS  35  23.396   0.798  -8.626
  297   2HB   LYS  35          HB3       LYS  35  21.954   1.499  -7.901
  298   1HG   LYS  35          HG2       LYS  35  20.816  -0.774  -8.156
  299   2HG   LYS  35          HG3       LYS  35  22.390  -1.407  -8.687
  300   1HD   LYS  35          HD2       LYS  35  23.322  -0.349  -6.497
  301   2HD   LYS  35          HD3       LYS  35  21.622  -0.246  -5.984
  302   1HE   LYS  35          HE2       LYS  35  21.382  -2.679  -6.228
  303   2HE   LYS  35          HE3       LYS  35  23.013  -2.799  -6.908
  304   1HZ   LYS  35          HZ1       LYS  35  23.071  -3.381  -4.599
  305   2HZ   LYS  35          HZ2       LYS  35  23.879  -1.961  -4.788
  306   3HZ   LYS  35          HZ3       LYS  35  22.366  -1.979  -4.141
  307    H    ASN  36           H        ASN  36  23.965   0.978 -11.400
  308    HA   ASN  36           HA       ASN  36  23.185  -1.394 -12.958
  309   1HB   ASN  36          HB2       ASN  36  25.287  -1.393 -13.961
  310   2HB   ASN  36          HB3       ASN  36  24.823   0.301 -13.903
  311   1HD2  ASN  36          HD22      ASN  36  27.159  -2.126 -12.810
  312   2HD2  ASN  36          HD21      ASN  36  28.195  -0.991 -11.973
  313    H    ARG  37           H        ARG  37  24.101  -3.466 -12.551
  314    HA   ARG  37           HA       ARG  37  25.131  -3.945  -9.792
  315   1HB   ARG  37          HB2       ARG  37  24.016  -5.750 -12.002
  316   2HB   ARG  37          HB3       ARG  37  24.936  -6.377 -10.639
  317   1HG   ARG  37          HG2       ARG  37  23.342  -5.376  -9.044
  318   2HG   ARG  37          HG3       ARG  37  22.364  -4.754 -10.385
  319   1HD   ARG  37          HD2       ARG  37  21.716  -6.954 -11.073
  320   2HD   ARG  37          HD3       ARG  37  23.010  -7.704 -10.119
  321    HE   ARG  37           HE       ARG  37  20.982  -6.197  -8.589
  322   1HH1  ARG  37          HH21      ARG  37  21.999  -9.423  -9.712
  323   2HH1  ARG  37          HH22      ARG  37  21.099 -10.254  -8.498
  324   1HH2  ARG  37          HH11      ARG  37  19.816  -7.235  -7.088
  325   2HH2  ARG  37          HH12      ARG  37  19.817  -8.979  -6.919
  326    H    ASP  38           H        ASP  38  27.241  -4.875  -9.609
  327    HA   ASP  38           HA       ASP  38  29.185  -3.835 -11.390
  328   1HB   ASP  38          HB2       ASP  38  29.653  -4.338  -9.046
  329   2HB   ASP  38          HB3       ASP  38  29.374  -6.059  -9.325
  330    H    ASP  39           H        ASP  39  27.530  -6.930 -11.306
  331    HA   ASP  39           HA       ASP  39  29.039  -8.454 -13.136
  332   1HB   ASP  39          HB2       ASP  39  27.471  -9.743 -12.107
  333   2HB   ASP  39          HB3       ASP  39  26.292  -8.440 -11.997
  334    H    GLY  40           H        GLY  40  26.792  -5.742 -13.778
  335   1HA   GLY  40          HA2       GLY  40  27.175  -4.600 -15.892
  336   2HA   GLY  40          HA3       GLY  40  27.212  -6.161 -16.717
  337    H    ARG  41           H        ARG  41  24.788  -7.048 -14.891
  338    HA   ARG  41           HA       ARG  41  22.591  -5.995 -16.468
  339   1HB   ARG  41          HB2       ARG  41  22.947  -7.663 -13.963
  340   2HB   ARG  41          HB3       ARG  41  21.397  -6.922 -14.229
  341   1HG   ARG  41          HG2       ARG  41  21.802  -9.347 -15.050
  342   2HG   ARG  41          HG3       ARG  41  20.823  -8.225 -15.974
  343   1HD   ARG  41          HD2       ARG  41  22.153  -9.516 -17.483
  344   2HD   ARG  41          HD3       ARG  41  22.677  -7.829 -17.544
  345    HE   ARG  41           HE       ARG  41  24.291  -9.228 -15.670
  346   1HH1  ARG  41          HH21      ARG  41  23.860  -8.748 -19.187
  347   2HH1  ARG  41          HH22      ARG  41  25.451  -9.318 -19.570
  348   1HH2  ARG  41          HH11      ARG  41  26.316 -10.032 -16.173
  349   2HH2  ARG  41          HH12      ARG  41  26.914 -10.015 -17.808
  350    H    VAL  42           H        VAL  42  20.766  -4.897 -15.298
  351    HA   VAL  42           HA       VAL  42  21.758  -2.766 -13.465
  352    HB   VAL  42           HB       VAL  42  19.768  -2.544 -15.774
  353   1HG1  VAL  42          HG11      VAL  42  19.571  -0.139 -15.225
  354   2HG1  VAL  42          HG12      VAL  42  18.950  -1.142 -13.918
  355   3HG1  VAL  42          HG13      VAL  42  20.550  -0.382 -13.766
  356   1HG2  VAL  42          HG21      VAL  42  21.351  -0.864 -16.675
  357   2HG2  VAL  42          HG22      VAL  42  22.450  -1.154 -15.313
  358   3HG2  VAL  42          HG23      VAL  42  22.133  -2.435 -16.499
  359    H    GLU  43           H        GLU  43  20.281  -2.171 -11.826
  360    HA   GLU  43           HA       GLU  43  18.074  -4.091 -11.327
  361   1HB   GLU  43          HB2       GLU  43  19.857  -4.775  -9.891
  362   2HB   GLU  43          HB3       GLU  43  20.270  -3.103  -9.466
  363   1HG   GLU  43          HG2       GLU  43  18.083  -2.841  -8.303
  364   2HG   GLU  43          HG3       GLU  43  17.657  -4.502  -8.731
  365    H    ILE  44           H        ILE  44  16.238  -3.130 -10.744
  366    HA   ILE  44           HA       ILE  44  16.180  -0.273  -9.934
  367    HB   ILE  44           HB       ILE  44  14.182  -1.819 -11.630
  368   1HG1  ILE  44          HG12      ILE  44  16.008   0.307 -12.816
  369   2HG1  ILE  44          HG13      ILE  44  16.485  -1.380 -12.839
  370   1HG2  ILE  44          HG21      ILE  44  14.451   1.159 -11.057
  371   2HG2  ILE  44          HG22      ILE  44  13.217   0.425 -12.101
  372   3HG2  ILE  44          HG23      ILE  44  13.224   0.071 -10.376
  373   1HD1  ILE  44          HD11      ILE  44  13.949  -0.361 -14.071
  374   2HD1  ILE  44          HD12      ILE  44  15.431  -0.885 -14.899
  375   3HD1  ILE  44          HD13      ILE  44  14.491  -2.062 -13.944
  376    H    LEU  45           H        LEU  45  14.772   0.027  -8.134
  377    HA   LEU  45           HA       LEU  45  13.165  -2.279  -7.179
  378   1HB   LEU  45          HB2       LEU  45  15.564  -2.231  -6.209
  379   2HB   LEU  45          HB3       LEU  45  15.096  -0.762  -5.366
  380    HG   LEU  45           HG       LEU  45  13.709  -3.477  -5.100
  381   1HD1  LEU  45          HD11      LEU  45  15.669  -2.120  -3.213
  382   2HD1  LEU  45          HD12      LEU  45  14.903  -3.711  -2.989
  383   3HD1  LEU  45          HD13      LEU  45  16.073  -3.464  -4.297
  384   1HD2  LEU  45          HD21      LEU  45  13.378  -0.876  -3.549
  385   2HD2  LEU  45          HD22      LEU  45  12.121  -1.821  -4.391
  386   3HD2  LEU  45          HD23      LEU  45  12.849  -2.457  -2.931
  387    H    ALA  46           H        ALA  46  11.159  -1.452  -6.519
  388    HA   ALA  46           HA       ALA  46  10.951   1.447  -5.973
  389   1HB   ALA  46          HB1       ALA  46   9.319   0.063  -8.145
  390   2HB   ALA  46          HB2       ALA  46   9.241   1.767  -7.659
  391   3HB   ALA  46          HB3       ALA  46  10.696   1.144  -8.461
  392    H    GLU  47           H        GLU  47   9.079   2.013  -4.882
  393    HA   GLU  47           HA       GLU  47   7.095  -0.044  -4.175
  394   1HB   GLU  47          HB2       GLU  47   8.780  -0.130  -2.437
  395   2HB   GLU  47          HB3       GLU  47   8.805   1.619  -2.274
  396   1HG   GLU  47          HG2       GLU  47   6.133   0.343  -1.829
  397   2HG   GLU  47          HG3       GLU  47   7.392  -0.138  -0.715
  398    H    GLY  48           H        GLY  48   5.026   0.852  -3.829
  399   1HA   GLY  48          HA2       GLY  48   4.199   3.437  -3.371
  400   2HA   GLY  48          HA3       GLY  48   4.622   3.439  -5.085
  401    HA   PRO  49           HA       PRO  49   0.138   2.096  -4.794
  402   1HB   PRO  49          HB2       PRO  49   0.228   3.762  -7.308
  403   2HB   PRO  49          HB3       PRO  49  -1.063   3.662  -6.071
  404   1HG   PRO  49          HG2       PRO  49   0.624   5.785  -6.142
  405   2HG   PRO  49          HG3       PRO  49   0.177   5.043  -4.571
  406   1HD   PRO  49          HD2       PRO  49   2.699   4.630  -6.193
  407   2HD   PRO  49          HD3       PRO  49   2.516   4.893  -4.433
  408    H    GLU  50           H        GLU  50  -0.601   0.243  -5.909
  409    HA   GLU  50           HA       GLU  50   1.260  -1.225  -7.410
  410   1HB   GLU  50          HB2       GLU  50  -0.514  -2.839  -7.764
  411   2HB   GLU  50          HB3       GLU  50  -0.532  -2.235  -6.107
  412   1HG   GLU  50          HG2       GLU  50  -2.431  -0.709  -6.718
  413   2HG   GLU  50          HG3       GLU  50  -2.432  -1.399  -8.342
  414    H    ASN  51           H        ASN  51  -1.230   1.018  -8.600
  415    HA   ASN  51           HA       ASN  51  -0.939   0.185 -11.374
  416   1HB   ASN  51          HB2       ASN  51  -2.344   1.970 -11.944
  417   2HB   ASN  51          HB3       ASN  51  -2.983   1.370 -10.421
  418   1HD2  ASN  51          HD22      ASN  51  -2.034   4.196 -12.096
  419   2HD2  ASN  51          HD21      ASN  51  -1.874   5.255 -10.722
  420    H    ALA  52           H        ALA  52   0.939   2.253  -9.215
  421    HA   ALA  52           HA       ALA  52   2.087   3.848 -11.402
  422   1HB   ALA  52          HB1       ALA  52   3.542   4.734  -9.585
  423   2HB   ALA  52          HB2       ALA  52   1.818   4.921  -9.206
  424   3HB   ALA  52          HB3       ALA  52   2.773   3.641  -8.429
  425    H    LEU  53           H        LEU  53   2.854   1.100  -9.211
  426    HA   LEU  53           HA       LEU  53   5.409   0.488 -10.282
  427   1HB   LEU  53          HB2       LEU  53   3.258  -1.177  -8.902
  428   2HB   LEU  53          HB3       LEU  53   4.677  -1.920  -9.594
  429    HG   LEU  53           HG       LEU  53   6.009  -0.086  -8.248
  430   1HD1  LEU  53          HD11      LEU  53   5.006   0.365  -6.060
  431   2HD1  LEU  53          HD12      LEU  53   4.166   1.185  -7.369
  432   3HD1  LEU  53          HD13      LEU  53   3.457  -0.273  -6.626
  433   1HD2  LEU  53          HD21      LEU  53   4.734  -2.501  -6.872
  434   2HD2  LEU  53          HD22      LEU  53   6.233  -2.500  -7.816
  435   3HD2  LEU  53          HD23      LEU  53   6.175  -1.621  -6.300
  436    H    GLN  54           H        GLN  54   2.148  -0.747 -11.334
  437    HA   GLN  54           HA       GLN  54   3.199  -2.323 -13.447
  438   1HB   GLN  54          HB2       GLN  54   0.505  -0.986 -13.025
  439   2HB   GLN  54          HB3       GLN  54   0.838  -2.007 -14.431
  440   1HG   GLN  54          HG2       GLN  54   1.240  -3.947 -13.101
  441   2HG   GLN  54          HG3       GLN  54   1.343  -3.020 -11.607
  442   1HE2  GLN  54          HE22      GLN  54  -0.555  -2.194 -10.633
  443   2HE2  GLN  54          HE21      GLN  54  -2.152  -2.826 -11.029
  444    H    SER  55           H        SER  55   2.049   1.098 -13.544
  445    HA   SER  55           HA       SER  55   2.561   1.609 -16.276
  446   1HB   SER  55          HB2       SER  55   3.029   3.512 -13.944
  447   2HB   SER  55          HB3       SER  55   2.739   3.951 -15.630
  448    HG   SER  55           HG       SER  55   0.898   2.705 -13.824
  449    H    PHE  56           H        PHE  56   4.770   1.684 -13.442
  450    HA   PHE  56           HA       PHE  56   6.971   2.662 -14.949
  451   1HB   PHE  56          HB2       PHE  56   6.628   3.053 -12.580
  452   2HB   PHE  56          HB3       PHE  56   6.822   1.347 -12.227
  453    HD1  PHE  56           HD2      PHE  56   8.749   3.910 -14.257
  454    HD2  PHE  56           HD1      PHE  56   8.818   1.034 -11.039
  455    HE1  PHE  56           HE2      PHE  56  11.139   4.420 -13.826
  456    HE2  PHE  56           HE1      PHE  56  11.195   1.563 -10.618
  457    HZ   PHE  56           HZ       PHE  56  12.328   3.297 -11.957
  458    H    VAL  57           H        VAL  57   5.825  -0.738 -14.307
  459    HA   VAL  57           HA       VAL  57   8.231  -1.865 -15.449
  460    HB   VAL  57           HB       VAL  57   5.485  -3.115 -15.775
  461   1HG1  VAL  57          HG11      VAL  57   7.331  -4.124 -17.087
  462   2HG1  VAL  57          HG12      VAL  57   8.300  -4.291 -15.610
  463   3HG1  VAL  57          HG13      VAL  57   6.796  -5.219 -15.812
  464   1HG2  VAL  57          HG21      VAL  57   6.050  -4.467 -13.717
  465   2HG2  VAL  57          HG22      VAL  57   7.366  -3.317 -13.394
  466   3HG2  VAL  57          HG23      VAL  57   5.662  -2.785 -13.404
  467    H    GLU  58           H        GLU  58   5.087  -0.701 -16.865
  468    HA   GLU  58           HA       GLU  58   5.725  -1.430 -19.516
  469   1HB   GLU  58          HB2       GLU  58   3.952   0.812 -18.483
  470   2HB   GLU  58          HB3       GLU  58   4.092   0.360 -20.183
  471   1HG   GLU  58          HG2       GLU  58   3.376  -1.955 -19.634
  472   2HG   GLU  58          HG3       GLU  58   3.166  -1.494 -17.948
  473    H    ALA  59           H        ALA  59   6.651   1.502 -17.689
  474    HA   ALA  59           HA       ALA  59   8.036   2.734 -19.860
  475   1HB   ALA  59          HB1       ALA  59   9.142   4.065 -18.119
  476   2HB   ALA  59          HB2       ALA  59   7.397   3.959 -17.821
  477   3HB   ALA  59          HB3       ALA  59   8.530   2.981 -16.860
  478    H    VAL  60           H        VAL  60   9.269   0.711 -17.124
  479    HA   VAL  60           HA       VAL  60  11.977   0.818 -17.860
  480    HB   VAL  60           HB       VAL  60  10.291  -1.021 -16.138
  481   1HG1  VAL  60          HG11      VAL  60  13.304  -1.219 -16.449
  482   2HG1  VAL  60          HG12      VAL  60  12.335  -1.972 -15.157
  483   3HG1  VAL  60          HG13      VAL  60  12.110  -2.476 -16.828
  484   1HG2  VAL  60          HG21      VAL  60  11.411   0.140 -14.306
  485   2HG2  VAL  60          HG22      VAL  60  12.491   0.982 -15.440
  486   3HG2  VAL  60          HG23      VAL  60  10.766   1.357 -15.406
  487    H    LYS  61           H        LYS  61   9.479  -1.619 -18.770
  488    HA   LYS  61           HA       LYS  61  11.337  -3.424 -19.905
  489   1HB   LYS  61          HB2       LYS  61   9.488  -4.623 -20.741
  490   2HB   LYS  61          HB3       LYS  61   9.017  -3.962 -19.172
  491   1HG   LYS  61          HG2       LYS  61   7.819  -2.101 -20.389
  492   2HG   LYS  61          HG3       LYS  61   8.166  -2.910 -21.915
  493   1HD   LYS  61          HD2       LYS  61   6.591  -4.051 -19.572
  494   2HD   LYS  61          HD3       LYS  61   5.881  -3.391 -21.040
  495   1HE   LYS  61          HE2       LYS  61   7.679  -5.859 -20.911
  496   2HE   LYS  61          HE3       LYS  61   5.919  -5.886 -20.961
  497   1HZ   LYS  61          HZ1       LYS  61   7.648  -4.825 -23.122
  498   2HZ   LYS  61          HZ2       LYS  61   6.827  -6.230 -23.147
  499   3HZ   LYS  61          HZ3       LYS  61   6.010  -4.825 -23.141
  500    H    ASN  62           H        ASN  62  10.143  -0.413 -21.207
  501    HA   ASN  62           HA       ASN  62  10.719  -1.015 -24.000
  502   1HB   ASN  62          HB2       ASN  62   9.197   0.846 -23.243
  503   2HB   ASN  62          HB3       ASN  62  10.596   1.674 -22.555
  504   1HD2  ASN  62          HD22      ASN  62  11.915   2.892 -23.898
  505   2HD2  ASN  62          HD21      ASN  62  11.643   3.055 -25.629
  506    H    GLY  63           H        GLY  63  12.585  -0.043 -21.162
  507   1HA   GLY  63          HA2       GLY  63  14.781   0.644 -20.906
  508   2HA   GLY  63          HA3       GLY  63  15.082   0.411 -22.629
  509    H    SER  64           H        SER  64  16.110   2.749 -21.973
  510    HA   SER  64           HA       SER  64  14.236   4.939 -22.427
  511   1HB   SER  64          HB2       SER  64  16.952   5.232 -23.552
  512   2HB   SER  64          HB3       SER  64  16.047   6.295 -22.474
  513    HG   SER  64           HG       SER  64  17.660   4.056 -21.901
  514    HA   PRO  65           HA       PRO  65  13.533   4.229 -26.859
  515   1HB   PRO  65          HB2       PRO  65  14.625   7.051 -27.083
  516   2HB   PRO  65          HB3       PRO  65  13.263   6.305 -27.979
  517   1HG   PRO  65          HG2       PRO  65  12.773   7.862 -25.814
  518   2HG   PRO  65          HG3       PRO  65  11.872   6.329 -26.036
  519   1HD   PRO  65          HD2       PRO  65  14.153   6.909 -24.160
  520   2HD   PRO  65          HD3       PRO  65  12.734   5.824 -23.949
  521    H    PHE  66           H        PHE  66  16.673   5.682 -25.855
  522    HA   PHE  66           HA       PHE  66  18.105   4.736 -28.194
  523   1HB   PHE  66          HB2       PHE  66  19.190   5.644 -25.500
  524   2HB   PHE  66          HB3       PHE  66  20.073   5.549 -27.015
  525    HD1  PHE  66           HD2      PHE  66  19.123   7.000 -29.021
  526    HD2  PHE  66           HD1      PHE  66  18.230   7.720 -24.858
  527    HE1  PHE  66           HE2      PHE  66  18.481   9.337 -29.557
  528    HE2  PHE  66           HE1      PHE  66  17.586  10.051 -25.404
  529    HZ   PHE  66           HZ       PHE  66  17.709  10.865 -27.752
  530    H    SER  67           H        SER  67  17.254   3.285 -25.089
  531    HA   SER  67           HA       SER  67  19.441   1.393 -24.937
  532   1HB   SER  67          HB2       SER  67  16.707   1.344 -23.623
  533   2HB   SER  67          HB3       SER  67  18.158   0.534 -23.048
  534    HG   SER  67           HG       SER  67  19.052   2.528 -22.560
  535    H    LYS  68           H        LYS  68  18.810  -0.986 -24.760
  536    HA   LYS  68           HA       LYS  68  16.436  -1.839 -26.267
  537   1HB   LYS  68          HB2       LYS  68  18.139  -1.823 -28.056
  538   2HB   LYS  68          HB3       LYS  68  19.236  -2.772 -27.041
  539   1HG   LYS  68          HG2       LYS  68  17.555  -4.639 -27.017
  540   2HG   LYS  68          HG3       LYS  68  16.494  -3.675 -28.039
  541   1HD   LYS  68          HD2       LYS  68  17.685  -5.394 -29.297
  542   2HD   LYS  68          HD3       LYS  68  18.116  -3.769 -29.870
  543   1HE   LYS  68          HE2       LYS  68  20.240  -3.882 -28.592
  544   2HE   LYS  68          HE3       LYS  68  19.787  -5.470 -27.957
  545   1HZ   LYS  68          HZ1       LYS  68  20.267  -4.850 -30.818
  546   2HZ   LYS  68          HZ2       LYS  68  21.287  -5.658 -29.841
  547   3HZ   LYS  68          HZ3       LYS  68  19.852  -6.320 -30.234
  548    H    VAL  69           H        VAL  69  15.585  -2.686 -24.363
  549    HA   VAL  69           HA       VAL  69  17.129  -4.383 -22.562
  550    HB   VAL  69           HB       VAL  69  14.117  -4.118 -23.029
  551   1HG1  VAL  69          HG11      VAL  69  15.674  -5.480 -20.789
  552   2HG1  VAL  69          HG12      VAL  69  13.929  -5.135 -20.741
  553   3HG1  VAL  69          HG13      VAL  69  14.572  -6.254 -21.941
  554   1HG2  VAL  69          HG21      VAL  69  15.049  -1.997 -22.245
  555   2HG2  VAL  69          HG22      VAL  69  14.150  -2.759 -20.937
  556   3HG2  VAL  69          HG23      VAL  69  15.928  -2.821 -20.945
  557    H    THR  70           H        THR  70  17.595  -6.551 -22.924
  558    HA   THR  70           HA       THR  70  16.170  -7.939 -25.150
  559    HB   THR  70           HB       THR  70  18.242  -9.254 -25.418
  560    HG1  THR  70           HG1      THR  70  20.031  -8.749 -24.298
  561   1HG2  THR  70          HG21      THR  70  18.776  -6.252 -25.617
  562   2HG2  THR  70          HG22      THR  70  19.561  -7.543 -26.553
  563   3HG2  THR  70          HG23      THR  70  17.844  -7.187 -26.809
  564    H    ASP  71           H        ASP  71  16.933  -7.944 -21.714
  565    HA   ASP  71           HA       ASP  71  14.996 -10.090 -21.390
  566   1HB   ASP  71          HB2       ASP  71  17.056 -11.424 -21.542
  567   2HB   ASP  71          HB3       ASP  71  17.843 -10.397 -20.347
  568    H    ILE  72           H        ILE  72  14.077 -10.032 -19.286
  569    HA   ILE  72           HA       ILE  72  14.977  -8.059 -17.347
  570    HB   ILE  72           HB       ILE  72  13.674  -6.662 -18.773
  571   1HG1  ILE  72          HG12      ILE  72  11.894  -7.360 -16.405
  572   2HG1  ILE  72          HG13      ILE  72  13.395  -6.440 -16.298
  573   1HG2  ILE  72          HG21      ILE  72  11.346  -7.056 -19.435
  574   2HG2  ILE  72          HG22      ILE  72  12.363  -8.354 -20.023
  575   3HG2  ILE  72          HG23      ILE  72  11.344  -8.618 -18.591
  576   1HD1  ILE  72          HD11      ILE  72  10.885  -5.598 -17.801
  577   2HD1  ILE  72          HD12      ILE  72  11.543  -4.898 -16.323
  578   3HD1  ILE  72          HD13      ILE  72  12.438  -4.725 -17.847
  579    H    SER  73           H        SER  73  14.205  -8.557 -15.273
  580    HA   SER  73           HA       SER  73  12.573 -11.017 -14.877
  581   1HB   SER  73          HB2       SER  73  15.286 -10.368 -13.611
  582   2HB   SER  73          HB3       SER  73  14.236 -11.721 -13.161
  583    HG   SER  73           HG       SER  73  15.521 -11.281 -15.662
  584    H    VAL  74           H        VAL  74  11.478 -10.989 -12.796
  585    HA   VAL  74           HA       VAL  74  11.452  -8.387 -11.362
  586    HB   VAL  74           HB       VAL  74   9.022  -9.833 -12.519
  587   1HG1  VAL  74          HG11      VAL  74   8.386  -8.672 -10.490
  588   2HG1  VAL  74          HG12      VAL  74   9.213  -7.191 -11.005
  589   3HG1  VAL  74          HG13      VAL  74   7.774  -7.766 -11.867
  590   1HG2  VAL  74          HG21      VAL  74  10.147  -8.819 -14.389
  591   2HG2  VAL  74          HG22      VAL  74   8.745  -7.829 -13.995
  592   3HG2  VAL  74          HG23      VAL  74  10.368  -7.292 -13.515
  593    H    THR  75           H        THR  75  10.927  -8.582  -9.194
  594    HA   THR  75           HA       THR  75   9.640 -11.061  -8.205
  595    HB   THR  75           HB       THR  75  11.812  -9.575  -6.661
  596    HG1  THR  75           HG1      THR  75  12.763 -10.570  -8.456
  597   1HG2  THR  75          HG21      THR  75  10.546 -12.321  -6.262
  598   2HG2  THR  75          HG22      THR  75  11.837 -11.606  -5.266
  599   3HG2  THR  75          HG23      THR  75  10.232 -10.865  -5.292
  600    H    GLU  76           H        GLU  76   7.700 -10.340  -7.328
  601    HA   GLU  76           HA       GLU  76   7.498  -7.505  -6.459
  602   1HB   GLU  76          HB2       GLU  76   5.136  -7.678  -6.865
  603   2HB   GLU  76          HB3       GLU  76   6.029  -8.147  -8.314
  604   1HG   GLU  76          HG2       GLU  76   5.645 -10.558  -7.747
  605   2HG   GLU  76          HG3       GLU  76   4.710 -10.061  -6.335
  606    H    SER  77           H        SER  77   6.330  -7.076  -4.494
  607    HA   SER  77           HA       SER  77   5.883  -9.160  -2.501
  608   1HB   SER  77          HB2       SER  77   8.378  -7.391  -2.564
  609   2HB   SER  77          HB3       SER  77   7.786  -8.131  -1.064
  610    HG   SER  77           HG       SER  77   8.056  -9.769  -3.296
  611    H    ARG  78           H        ARG  78   5.552  -8.005  -0.300
  612    HA   ARG  78           HA       ARG  78   4.590  -5.205  -0.630
  613   1HB   ARG  78          HB2       ARG  78   2.807  -7.073  -0.384
  614   2HB   ARG  78          HB3       ARG  78   3.325  -7.175   1.302
  615   1HG   ARG  78          HG2       ARG  78   2.772  -4.743   1.584
  616   2HG   ARG  78          HG3       ARG  78   2.292  -4.657  -0.109
  617   1HD   ARG  78          HD2       ARG  78   0.995  -6.410   2.020
  618   2HD   ARG  78          HD3       ARG  78   0.376  -4.851   1.446
  619    HE   ARG  78           HE       ARG  78   0.746  -6.576  -0.785
  620   1HH1  ARG  78          HH21      ARG  78  -1.402  -6.205   2.014
  621   2HH1  ARG  78          HH22      ARG  78  -2.746  -6.988   1.270
  622   1HH2  ARG  78          HH11      ARG  78  -1.046  -7.639  -1.780
  623   2HH2  ARG  78          HH12      ARG  78  -2.534  -7.811  -0.935
  624    H    SER  79           H        SER  79   7.208  -6.369   0.130
  625    HA   SER  79           HA       SER  79   7.603  -5.733   2.970
  626   1HB   SER  79          HB2       SER  79   9.618  -6.461   0.796
  627   2HB   SER  79          HB3       SER  79   9.882  -6.452   2.550
  628    HG   SER  79           HG       SER  79   9.460  -8.554   1.757
  629    H    LEU  80           H        LEU  80   6.633  -3.559   2.528
  630    HA   LEU  80           HA       LEU  80   7.595  -1.918   0.466
  631   1HB   LEU  80          HB2       LEU  80   6.262  -0.959   3.028
  632   2HB   LEU  80          HB3       LEU  80   6.349  -0.100   1.499
  633    HG   LEU  80           HG       LEU  80   4.731  -2.576   2.171
  634   1HD1  LEU  80          HD11      LEU  80   2.833  -1.178   1.513
  635   2HD1  LEU  80          HD12      LEU  80   3.783  -0.394   2.784
  636   3HD1  LEU  80          HD13      LEU  80   3.939   0.159   1.103
  637   1HD2  LEU  80          HD21      LEU  80   3.897  -2.613  -0.157
  638   2HD2  LEU  80          HD22      LEU  80   5.107  -1.400  -0.617
  639   3HD2  LEU  80          HD23      LEU  80   5.610  -3.023  -0.080
  640    H    GLU  81           H        GLU  81   9.091  -0.267   0.313
  641    HA   GLU  81           HA       GLU  81  11.407  -0.630   1.992
  642   1HB   GLU  81          HB2       GLU  81  10.779   1.348  -0.249
  643   2HB   GLU  81          HB3       GLU  81  12.358   1.179   0.519
  644   1HG   GLU  81          HG2       GLU  81  10.917  -0.929  -1.114
  645   2HG   GLU  81          HG3       GLU  81  12.300   0.033  -1.614
  646    H    GLY  82           H        GLY  82   8.947   1.976   1.650
  647   1HA   GLY  82          HA2       GLY  82   8.576   3.878   2.845
  648   2HA   GLY  82          HA3       GLY  82   9.560   3.238   4.175
  649    H    HIS  83           H        HIS  83  10.762   3.582   0.835
  650    HA   HIS  83           HA       HIS  83  13.130   4.921   1.734
  651   1HB   HIS  83          HB2       HIS  83  12.625   3.373  -0.387
  652   2HB   HIS  83          HB3       HIS  83  12.280   4.900  -1.165
  653    HD1  HIS  83           HD1      HIS  83  14.443   5.917  -2.286
  654    HD2  HIS  83           HD2      HIS  83  15.184   3.291   0.927
  655    HE1  HIS  83           HE1      HIS  83  16.957   5.618  -2.171
  656    H    HIS  84           H        HIS  84  13.783   7.111   1.394
  657    HA   HIS  84           HA       HIS  84  11.682   8.976   1.849
  658   1HB   HIS  84          HB2       HIS  84  14.604   9.507   1.170
  659   2HB   HIS  84          HB3       HIS  84  13.484  10.641   1.923
  660    HD1  HIS  84           HD1      HIS  84  16.118   8.321   2.947
  661    HD2  HIS  84           HD2      HIS  84  12.344   9.513   4.395
  662    HE1  HIS  84           HE1      HIS  84  16.065   7.690   5.410
  663    H    ARG  85           H        ARG  85  13.352   8.055  -1.115
  664    HA   ARG  85           HA       ARG  85  11.659   9.697  -2.816
  665   1HB   ARG  85          HB2       ARG  85  13.664  10.796  -3.916
  666   2HB   ARG  85          HB3       ARG  85  13.253  11.431  -2.335
  667   1HG   ARG  85          HG2       ARG  85  15.093  10.383  -1.263
  668   2HG   ARG  85          HG3       ARG  85  15.396   9.298  -2.618
  669   1HD   ARG  85          HD2       ARG  85  15.728  12.323  -2.755
  670   2HD   ARG  85          HD3       ARG  85  17.040  11.186  -2.376
  671    HE   ARG  85           HE       ARG  85  15.906  10.228  -4.720
  672   1HH1  ARG  85          HH21      ARG  85  17.635  13.190  -3.819
  673   2HH1  ARG  85          HH22      ARG  85  18.205  13.495  -5.418
  674   1HH2  ARG  85          HH11      ARG  85  16.571  10.627  -6.810
  675   2HH2  ARG  85          HH12      ARG  85  17.599  11.975  -7.172
  676    H    PHE  86           H        PHE  86  12.652   9.310  -5.222
  677    HA   PHE  86           HA       PHE  86  13.589   6.501  -5.412
  678   1HB   PHE  86          HB2       PHE  86  11.745   7.583  -6.980
  679   2HB   PHE  86          HB3       PHE  86  13.129   8.294  -7.787
  680    HD1  PHE  86           HD2      PHE  86  11.552   5.072  -6.717
  681    HD2  PHE  86           HD1      PHE  86  14.487   6.943  -9.212
  682    HE1  PHE  86           HE2      PHE  86  12.035   2.887  -7.773
  683    HE2  PHE  86           HE1      PHE  86  14.976   4.751 -10.299
  684    HZ   PHE  86           HZ       PHE  86  13.749   2.715  -9.554
  685    H    SER  87           H        SER  87  15.812   6.164  -5.958
  686    HA   SER  87           HA       SER  87  17.495   8.629  -6.203
  687   1HB   SER  87          HB2       SER  87  17.965   6.151  -4.510
  688   2HB   SER  87          HB3       SER  87  19.034   7.564  -4.634
  689    HG   SER  87           HG       SER  87  17.754   7.844  -2.842
  690    H    ILE  88           H        ILE  88  19.553   8.428  -7.159
  691    HA   ILE  88           HA       ILE  88  19.955   6.094  -8.974
  692    HB   ILE  88           HB       ILE  88  21.431   8.779  -8.930
  693   1HG1  ILE  88          HG12      ILE  88  19.209   7.789 -10.758
  694   2HG1  ILE  88          HG13      ILE  88  19.163   9.188  -9.665
  695   1HG2  ILE  88          HG21      ILE  88  22.419   8.032 -11.031
  696   2HG2  ILE  88          HG22      ILE  88  22.708   6.804  -9.814
  697   3HG2  ILE  88          HG23      ILE  88  21.404   6.571 -11.027
  698   1HD1  ILE  88          HD11      ILE  88  19.340   9.973 -11.925
  699   2HD1  ILE  88          HD12      ILE  88  20.879  10.307 -11.099
  700   3HD1  ILE  88          HD13      ILE  88  20.735   8.953 -12.253
  701    H    VAL  89           H        VAL  89  21.374   4.577  -8.192
  702    HA   VAL  89           HA       VAL  89  23.083   5.279  -5.842
  703    HB   VAL  89           HB       VAL  89  21.154   2.958  -6.289
  704   1HG1  VAL  89          HG11      VAL  89  23.084   2.012  -5.129
  705   2HG1  VAL  89          HG12      VAL  89  23.072   3.357  -3.952
  706   3HG1  VAL  89          HG13      VAL  89  21.742   2.184  -4.012
  707   1HG2  VAL  89          HG21      VAL  89  20.105   3.843  -4.191
  708   2HG2  VAL  89          HG22      VAL  89  21.228   5.216  -4.237
  709   3HG2  VAL  89          HG23      VAL  89  20.031   4.987  -5.530
  710    H    TYR  90           H        TYR  90  24.916   3.883  -5.523
  711    HA   TYR  90           HA       TYR  90  25.847   2.336  -7.888
  712   1HB   TYR  90          HB2       TYR  90  27.355   4.534  -6.410
  713   2HB   TYR  90          HB3       TYR  90  28.077   3.449  -7.581
  714    HD1  TYR  90           HD1      TYR  90  25.659   6.261  -7.180
  715    HD2  TYR  90           HD2      TYR  90  27.847   3.781  -9.952
  716    HE1  TYR  90           HE1      TYR  90  25.020   7.774  -9.031
  717    HE2  TYR  90           HE2      TYR  90  27.238   5.301 -11.804
  718    HH   TYR  90           HH       TYR  90  26.083   7.231 -12.424
  719    H    SER  91           H        SER  91  25.224   2.298  -4.578
  720    HA   SER  91           HA       SER  91  27.465   1.103  -3.414
  721   1HB   SER  91          HB2       SER  91  24.547   0.607  -2.710
  722   2HB   SER  91          HB3       SER  91  25.951   0.536  -1.634
  723    HG   SER  91           HG       SER  91  24.835   2.533  -1.409
  Start of MODEL   12
    1   1H    MET   1          H1        MET   1  -0.954  -0.531  -1.592
    2   2H    MET   1          H2        MET   1  -0.401  -0.657  -0.065
    3   3H    MET   1          H3        MET   1  -0.748   0.823  -0.692
    4    HA   MET   1           HA       MET   1   1.030   0.607  -2.306
    5   1HB   MET   1          HB2       MET   1   1.896   0.174   0.587
    6   2HB   MET   1          HB3       MET   1   3.000   0.578  -0.727
    7   1HG   MET   1          HG2       MET   1   0.710   2.313   0.258
    8   2HG   MET   1          HG3       MET   1   2.429   2.562   0.536
    9   1HE   MET   1          HE1       MET   1   1.494   5.554  -1.819
   10   2HE   MET   1          HE2       MET   1   0.477   4.825  -0.556
   11   3HE   MET   1          HE3       MET   1   2.216   5.072  -0.267
   12    H    LEU   2           H        LEU   2   2.832  -0.590  -3.136
   13    HA   LEU   2           HA       LEU   2   3.129  -3.406  -2.355
   14   1HB   LEU   2          HB2       LEU   2   1.626  -2.555  -4.678
   15   2HB   LEU   2          HB3       LEU   2   3.158  -3.157  -5.271
   16    HG   LEU   2           HG       LEU   2   1.262  -4.691  -3.444
   17   1HD1  LEU   2          HD11      LEU   2   0.344  -4.327  -5.706
   18   2HD1  LEU   2          HD12      LEU   2   1.828  -4.984  -6.429
   19   3HD1  LEU   2          HD13      LEU   2   0.765  -6.027  -5.458
   20   1HD2  LEU   2          HD21      LEU   2   2.653  -6.669  -4.039
   21   2HD2  LEU   2          HD22      LEU   2   3.803  -5.609  -4.875
   22   3HD2  LEU   2          HD23      LEU   2   3.563  -5.484  -3.114
   23    H    GLN   3           H        GLN   3   5.103  -4.277  -3.811
   24    HA   GLN   3           HA       GLN   3   7.005  -2.180  -4.505
   25   1HB   GLN   3          HB2       GLN   3   7.122  -2.523  -1.984
   26   2HB   GLN   3          HB3       GLN   3   7.584  -4.199  -2.281
   27   1HG   GLN   3          HG2       GLN   3   9.628  -3.430  -3.453
   28   2HG   GLN   3          HG3       GLN   3   9.108  -1.754  -3.253
   29   1HE2  GLN   3          HE22      GLN   3  10.553  -4.496  -1.640
   30   2HE2  GLN   3          HE21      GLN   3  11.199  -3.469  -0.341
   31    H    TYR   4           H        TYR   4   8.727  -3.017  -5.810
   32    HA   TYR   4           HA       TYR   4   8.978  -5.901  -6.105
   33   1HB   TYR   4          HB2       TYR   4   8.917  -5.847  -8.589
   34   2HB   TYR   4          HB3       TYR   4   7.380  -5.638  -7.806
   35    HD1  TYR   4           HD1      TYR   4  10.097  -3.125  -8.812
   36    HD2  TYR   4           HD2      TYR   4   6.028  -4.520  -9.263
   37    HE1  TYR   4           HE1      TYR   4   9.670  -1.341 -10.442
   38    HE2  TYR   4           HE2      TYR   4   5.621  -2.762 -10.931
   39    HH   TYR   4           HH       TYR   4   6.494  -0.922 -12.052
   40    H    ARG   5           H        ARG   5  10.810  -6.441  -7.578
   41    HA   ARG   5           HA       ARG   5  12.898  -4.351  -7.760
   42   1HB   ARG   5          HB2       ARG   5  13.374  -5.899  -5.798
   43   2HB   ARG   5          HB3       ARG   5  13.329  -7.242  -6.932
   44   1HG   ARG   5          HG2       ARG   5  15.260  -6.089  -8.190
   45   2HG   ARG   5          HG3       ARG   5  15.330  -4.949  -6.841
   46   1HD   ARG   5          HD2       ARG   5  16.992  -6.732  -6.572
   47   2HD   ARG   5          HD3       ARG   5  15.778  -6.815  -5.280
   48    HE   ARG   5           HE       ARG   5  14.901  -8.514  -7.362
   49   1HH1  ARG   5          HH21      ARG   5  17.588  -8.429  -5.042
   50   2HH1  ARG   5          HH22      ARG   5  17.745 -10.145  -4.972
   51   1HH2  ARG   5          HH11      ARG   5  15.037 -10.725  -7.218
   52   2HH2  ARG   5          HH12      ARG   5  16.294 -11.502  -6.301
   53    H    ILE   6           H        ILE   6  13.876  -4.456  -9.836
   54    HA   ILE   6           HA       ILE   6  13.078  -6.671 -11.635
   55    HB   ILE   6           HB       ILE   6  12.708  -3.698 -12.224
   56   1HG1  ILE   6          HG12      ILE   6  10.723  -5.976 -11.856
   57   2HG1  ILE   6          HG13      ILE   6  10.903  -4.556 -10.833
   58   1HG2  ILE   6          HG21      ILE   6  13.538  -4.953 -14.216
   59   2HG2  ILE   6          HG22      ILE   6  12.174  -6.079 -14.055
   60   3HG2  ILE   6          HG23      ILE   6  11.898  -4.367 -14.431
   61   1HD1  ILE   6          HD11      ILE   6   9.766  -4.611 -13.644
   62   2HD1  ILE   6          HD12      ILE   6   8.933  -4.287 -12.119
   63   3HD1  ILE   6          HD13      ILE   6  10.126  -3.120 -12.731
   64    H    ILE   7           H        ILE   7  14.742  -7.208 -13.041
   65    HA   ILE   7           HA       ILE   7  17.225  -5.561 -12.927
   66    HB   ILE   7           HB       ILE   7  17.006  -8.603 -12.881
   67   1HG1  ILE   7          HG12      ILE   7  18.635  -8.386 -10.959
   68   2HG1  ILE   7          HG13      ILE   7  18.378  -6.645 -10.969
   69   1HG2  ILE   7          HG21      ILE   7  18.767  -7.929 -14.489
   70   2HG2  ILE   7          HG22      ILE   7  19.491  -6.877 -13.247
   71   3HG2  ILE   7          HG23      ILE   7  19.473  -8.642 -13.047
   72   1HD1  ILE   7          HD11      ILE   7  16.139  -6.920 -10.148
   73   2HD1  ILE   7          HD12      ILE   7  16.147  -8.669 -10.502
   74   3HD1  ILE   7          HD13      ILE   7  17.161  -7.999  -9.208
   75    H    VAL   8           H        VAL   8  18.137  -5.215 -14.962
   76    HA   VAL   8           HA       VAL   8  16.583  -6.153 -17.322
   77    HB   VAL   8           HB       VAL   8  17.383  -3.253 -16.817
   78   1HG1  VAL   8          HG11      VAL   8  17.071  -3.910 -19.198
   79   2HG1  VAL   8          HG12      VAL   8  15.444  -4.510 -18.809
   80   3HG1  VAL   8          HG13      VAL   8  15.820  -2.780 -18.669
   81   1HG2  VAL   8          HG21      VAL   8  14.639  -4.503 -16.387
   82   2HG2  VAL   8          HG22      VAL   8  15.662  -3.732 -15.150
   83   3HG2  VAL   8          HG23      VAL   8  14.975  -2.762 -16.451
   84    H    ASP   9           H        ASP   9  17.849  -6.463 -19.129
   85    HA   ASP   9           HA       ASP   9  20.725  -5.731 -19.061
   86   1HB   ASP   9          HB2       ASP   9  20.501  -8.002 -18.125
   87   2HB   ASP   9          HB3       ASP   9  19.544  -8.494 -19.523
   88    H    GLY  10           H        GLY  10  21.668  -5.748 -21.176
   89   1HA   GLY  10          HA2       GLY  10  21.138  -6.219 -23.643
   90   2HA   GLY  10          HA3       GLY  10  19.713  -5.208 -23.352
   91    H    ARG  11           H        ARG  11  20.527  -3.667 -24.880
   92    HA   ARG  11           HA       ARG  11  22.906  -2.068 -24.162
   93   1HB   ARG  11          HB2       ARG  11  22.247  -2.279 -26.552
   94   2HB   ARG  11          HB3       ARG  11  20.714  -1.474 -26.199
   95   1HG   ARG  11          HG2       ARG  11  21.981   0.553 -25.420
   96   2HG   ARG  11          HG3       ARG  11  23.495  -0.293 -25.757
   97   1HD   ARG  11          HD2       ARG  11  23.102   1.175 -27.580
   98   2HD   ARG  11          HD3       ARG  11  22.816  -0.460 -28.165
   99    HE   ARG  11           HE       ARG  11  20.668   1.498 -27.363
  100   1HH1  ARG  11          HH21      ARG  11  21.804  -0.954 -29.685
  101   2HH1  ARG  11          HH22      ARG  11  20.455  -0.752 -30.737
  102   1HH2  ARG  11          HH11      ARG  11  18.906   1.688 -28.654
  103   2HH2  ARG  11          HH12      ARG  11  18.703   0.755 -30.107
  104    H    VAL  12           H        VAL  12  22.188  -1.900 -21.933
  105    HA   VAL  12           HA       VAL  12  20.423   0.484 -21.585
  106    HB   VAL  12           HB       VAL  12  19.808  -0.492 -19.346
  107   1HG1  VAL  12          HG11      VAL  12  18.238  -0.393 -21.228
  108   2HG1  VAL  12          HG12      VAL  12  18.789  -1.988 -21.796
  109   3HG1  VAL  12          HG13      VAL  12  17.966  -1.823 -20.229
  110   1HG2  VAL  12          HG21      VAL  12  21.518  -2.328 -19.250
  111   2HG2  VAL  12          HG22      VAL  12  19.860  -2.876 -18.981
  112   3HG2  VAL  12          HG23      VAL  12  20.634  -3.165 -20.544
  113    H    GLN  13           H        GLN  13  23.521  -0.949 -21.080
  114    HA   GLN  13           HA       GLN  13  24.198   0.901 -18.857
  115   1HB   GLN  13          HB2       GLN  13  25.639  -1.438 -20.155
  116   2HB   GLN  13          HB3       GLN  13  26.353  -0.441 -18.892
  117   1HG   GLN  13          HG2       GLN  13  23.673  -1.805 -18.412
  118   2HG   GLN  13          HG3       GLN  13  25.181  -2.691 -18.286
  119   1HE2  GLN  13          HE22      GLN  13  25.323  -3.055 -16.130
  120   2HE2  GLN  13          HE21      GLN  13  25.469  -1.817 -14.916
  121    H    GLY  14           H        GLY  14  24.802   0.397 -22.325
  122   1HA   GLY  14          HA2       GLY  14  26.901   2.436 -22.462
  123   2HA   GLY  14          HA3       GLY  14  26.189   1.521 -23.798
  124    H    VAL  15           H        VAL  15  23.849   2.916 -21.699
  125    HA   VAL  15           HA       VAL  15  23.448   5.390 -23.215
  126    HB   VAL  15           HB       VAL  15  21.014   4.763 -23.495
  127   1HG1  VAL  15          HG11      VAL  15  22.576   4.718 -25.417
  128   2HG1  VAL  15          HG12      VAL  15  22.911   3.002 -25.099
  129   3HG1  VAL  15          HG13      VAL  15  21.280   3.520 -25.562
  130   1HG2  VAL  15          HG21      VAL  15  20.949   2.825 -21.921
  131   2HG2  VAL  15          HG22      VAL  15  20.337   2.430 -23.523
  132   3HG2  VAL  15          HG23      VAL  15  21.953   1.886 -23.051
  133    H    GLY  16           H        GLY  16  21.727   6.692 -22.017
  134   1HA   GLY  16          HA2       GLY  16  22.443   6.686 -19.227
  135   2HA   GLY  16          HA3       GLY  16  21.423   7.854 -20.074
  136    H    PHE  17           H        PHE  17  20.827   4.305 -19.818
  137    HA   PHE  17           HA       PHE  17  18.085   4.679 -19.470
  138   1HB   PHE  17          HB2       PHE  17  19.112   2.567 -20.230
  139   2HB   PHE  17          HB3       PHE  17  19.774   2.304 -18.616
  140    HD1  PHE  17           HD2      PHE  17  16.342   3.350 -19.808
  141    HD2  PHE  17           HD1      PHE  17  18.687   0.471 -17.614
  142    HE1  PHE  17           HE2      PHE  17  14.279   2.184 -19.134
  143    HE2  PHE  17           HE1      PHE  17  16.620  -0.755 -17.025
  144    HZ   PHE  17           HZ       PHE  17  14.410   0.074 -17.800
  145    H    ARG  18           H        ARG  18  20.573   4.388 -16.899
  146    HA   ARG  18           HA       ARG  18  18.769   4.077 -14.722
  147   1HB   ARG  18          HB2       ARG  18  21.508   5.395 -14.874
  148   2HB   ARG  18          HB3       ARG  18  20.669   5.076 -13.361
  149   1HG   ARG  18          HG2       ARG  18  20.953   2.798 -13.447
  150   2HG   ARG  18          HG3       ARG  18  20.908   2.710 -15.188
  151   1HD   ARG  18          HD2       ARG  18  23.257   3.555 -13.457
  152   2HD   ARG  18          HD3       ARG  18  23.118   2.079 -14.414
  153    HE   ARG  18           HE       ARG  18  24.092   4.601 -15.266
  154   1HH1  ARG  18          HH21      ARG  18  22.287   1.843 -16.555
  155   2HH1  ARG  18          HH22      ARG  18  22.436   2.308 -18.212
  156   1HH2  ARG  18          HH11      ARG  18  24.458   5.145 -17.466
  157   2HH2  ARG  18          HH12      ARG  18  23.699   4.233 -18.731
  158    H    TYR  19           H        TYR  19  19.703   7.040 -16.491
  159    HA   TYR  19           HA       TYR  19  18.352   8.805 -14.610
  160   1HB   TYR  19          HB2       TYR  19  19.206   9.291 -17.494
  161   2HB   TYR  19          HB3       TYR  19  18.657  10.506 -16.354
  162    HD1  TYR  19           HD1      TYR  19  20.028  11.027 -14.287
  163    HD2  TYR  19           HD2      TYR  19  21.506   8.534 -17.481
  164    HE1  TYR  19           HE1      TYR  19  22.334  11.325 -13.443
  165    HE2  TYR  19           HE2      TYR  19  23.819   8.817 -16.641
  166    HH   TYR  19           HH       TYR  19  24.586  10.802 -13.741
  167    H    PHE  20           H        PHE  20  17.498   7.165 -17.717
  168    HA   PHE  20           HA       PHE  20  14.947   8.353 -18.043
  169   1HB   PHE  20          HB2       PHE  20  16.103   6.918 -19.731
  170   2HB   PHE  20          HB3       PHE  20  15.774   5.499 -18.740
  171    HD1  PHE  20           HD2      PHE  20  14.134   8.207 -20.728
  172    HD2  PHE  20           HD1      PHE  20  13.673   4.384 -18.782
  173    HE1  PHE  20           HE2      PHE  20  11.943   7.893 -21.851
  174    HE2  PHE  20           HE1      PHE  20  11.508   4.053 -19.948
  175    HZ   PHE  20           HZ       PHE  20  10.631   5.812 -21.470
  176    H    VAL  21           H        VAL  21  15.899   5.345 -16.307
  177    HA   VAL  21           HA       VAL  21  13.363   4.722 -15.240
  178    HB   VAL  21           HB       VAL  21  16.172   4.177 -14.191
  179   1HG1  VAL  21          HG11      VAL  21  14.388   3.827 -12.428
  180   2HG1  VAL  21          HG12      VAL  21  13.629   2.647 -13.522
  181   3HG1  VAL  21          HG13      VAL  21  15.259   2.374 -12.886
  182   1HG2  VAL  21          HG21      VAL  21  15.703   3.200 -16.455
  183   2HG2  VAL  21          HG22      VAL  21  15.881   1.953 -15.226
  184   3HG2  VAL  21          HG23      VAL  21  14.267   2.412 -15.810
  185    H    GLN  22           H        GLN  22  15.972   6.886 -13.889
  186    HA   GLN  22           HA       GLN  22  14.662   7.419 -11.468
  187   1HB   GLN  22          HB2       GLN  22  17.024   8.142 -12.075
  188   2HB   GLN  22          HB3       GLN  22  16.355   9.393 -13.072
  189   1HG   GLN  22          HG2       GLN  22  16.595  10.674 -11.201
  190   2HG   GLN  22          HG3       GLN  22  15.020  10.002 -10.753
  191   1HE2  GLN  22          HE22      GLN  22  16.270   7.295 -10.289
  192   2HE2  GLN  22          HE21      GLN  22  16.872   7.449  -8.662
  193    H    MET  23           H        MET  23  14.351   9.164 -14.591
  194    HA   MET  23           HA       MET  23  12.531  11.093 -13.489
  195   1HB   MET  23          HB2       MET  23  13.173  10.314 -16.363
  196   2HB   MET  23          HB3       MET  23  12.208  11.725 -15.885
  197   1HG   MET  23          HG2       MET  23  14.099  12.572 -14.531
  198   2HG   MET  23          HG3       MET  23  15.094  11.215 -15.016
  199   1HE   MET  23          HE1       MET  23  15.826  11.927 -18.797
  200   2HE   MET  23          HE2       MET  23  16.207  10.921 -17.385
  201   3HE   MET  23          HE3       MET  23  14.592  10.842 -18.128
  202    H    GLU  24           H        GLU  24  12.025   8.014 -15.284
  203    HA   GLU  24           HA       GLU  24   9.191   8.353 -15.496
  204   1HB   GLU  24          HB2       GLU  24  10.986   5.898 -15.620
  205   2HB   GLU  24          HB3       GLU  24   9.243   5.833 -15.884
  206   1HG   GLU  24          HG2       GLU  24  11.187   7.494 -17.553
  207   2HG   GLU  24          HG3       GLU  24  10.506   5.936 -18.004
  208    H    ALA  25           H        ALA  25  11.234   6.996 -12.887
  209    HA   ALA  25           HA       ALA  25   9.009   6.006 -11.332
  210   1HB   ALA  25          HB1       ALA  25  11.787   6.946 -10.491
  211   2HB   ALA  25          HB2       ALA  25  10.672   5.999  -9.493
  212   3HB   ALA  25          HB3       ALA  25  11.367   5.291 -10.957
  213    H    ASP  26           H        ASP  26  10.887   9.063 -11.394
  214    HA   ASP  26           HA       ASP  26   9.679  10.266  -9.143
  215   1HB   ASP  26          HB2       ASP  26  11.798  11.038 -10.062
  216   2HB   ASP  26          HB3       ASP  26  11.015  11.513 -11.573
  217    H    LYS  27           H        LYS  27   8.851  10.642 -12.666
  218    HA   LYS  27           HA       LYS  27   6.702  12.422 -12.121
  219   1HB   LYS  27          HB2       LYS  27   6.054  12.196 -14.402
  220   2HB   LYS  27          HB3       LYS  27   7.800  12.238 -14.294
  221   1HG   LYS  27          HG2       LYS  27   7.545  10.610 -15.858
  222   2HG   LYS  27          HG3       LYS  27   7.630   9.613 -14.407
  223   1HD   LYS  27          HD2       LYS  27   5.150   9.423 -14.399
  224   2HD   LYS  27          HD3       LYS  27   5.050  10.464 -15.818
  225   1HE   LYS  27          HE2       LYS  27   6.525   7.791 -15.712
  226   2HE   LYS  27          HE3       LYS  27   4.855   7.975 -16.257
  227   1HZ   LYS  27          HZ1       LYS  27   6.459   7.934 -18.081
  228   2HZ   LYS  27          HZ2       LYS  27   5.632   9.366 -18.074
  229   3HZ   LYS  27          HZ3       LYS  27   7.206   9.233 -17.558
  230    H    ARG  28           H        ARG  28   6.903   9.060 -11.502
  231    HA   ARG  28           HA       ARG  28   3.943   8.881 -11.224
  232   1HB   ARG  28          HB2       ARG  28   5.709   7.138 -12.537
  233   2HB   ARG  28          HB3       ARG  28   5.531   6.387 -10.967
  234   1HG   ARG  28          HG2       ARG  28   3.888   5.435 -12.370
  235   2HG   ARG  28          HG3       ARG  28   2.996   6.537 -11.302
  236   1HD   ARG  28          HD2       ARG  28   2.894   8.223 -13.081
  237   2HD   ARG  28          HD3       ARG  28   3.914   7.214 -14.127
  238    HE   ARG  28           HE       ARG  28   1.875   5.522 -13.663
  239   1HH1  ARG  28          HH21      ARG  28   1.695   8.954 -14.570
  240   2HH1  ARG  28          HH22      ARG  28   0.318   8.740 -15.583
  241   1HH2  ARG  28          HH11      ARG  28   0.172   5.216 -15.071
  242   2HH2  ARG  28          HH12      ARG  28  -0.624   6.563 -15.822
  243    H    LYS  29           H        LYS  29   6.296   9.995  -9.425
  244    HA   LYS  29           HA       LYS  29   6.844  10.146  -7.282
  245   1HB   LYS  29          HB2       LYS  29   3.872   9.645  -6.899
  246   2HB   LYS  29          HB3       LYS  29   4.957  10.433  -5.742
  247   1HG   LYS  29          HG2       LYS  29   5.471  12.190  -7.454
  248   2HG   LYS  29          HG3       LYS  29   4.253  11.482  -8.522
  249   1HD   LYS  29          HD2       LYS  29   3.730  12.615  -5.743
  250   2HD   LYS  29          HD3       LYS  29   3.421  13.441  -7.278
  251   1HE   LYS  29          HE2       LYS  29   1.823  11.639  -7.924
  252   2HE   LYS  29          HE3       LYS  29   2.098  10.844  -6.369
  253   1HZ   LYS  29          HZ1       LYS  29   1.196  12.815  -5.276
  254   2HZ   LYS  29          HZ2       LYS  29   0.938  13.548  -6.714
  255   3HZ   LYS  29          HZ3       LYS  29   0.110  12.203  -6.324
  256    H    LEU  30           H        LEU  30   7.435   7.544  -8.231
  257    HA   LEU  30           HA       LEU  30   6.821   5.662  -6.037
  258   1HB   LEU  30          HB2       LEU  30   8.802   5.515  -8.339
  259   2HB   LEU  30          HB3       LEU  30   8.470   4.212  -7.203
  260    HG   LEU  30           HG       LEU  30   6.465   5.411  -9.161
  261   1HD1  LEU  30          HD11      LEU  30   8.180   4.075 -10.262
  262   2HD1  LEU  30          HD12      LEU  30   7.905   2.736  -9.131
  263   3HD1  LEU  30          HD13      LEU  30   6.628   3.218 -10.267
  264   1HD2  LEU  30          HD21      LEU  30   5.031   3.457  -8.536
  265   2HD2  LEU  30          HD22      LEU  30   6.167   3.083  -7.225
  266   3HD2  LEU  30          HD23      LEU  30   5.242   4.609  -7.216
  267    H    ALA  31           H        ALA  31   8.752   4.647  -4.875
  268    HA   ALA  31           HA       ALA  31  11.039   6.481  -4.474
  269   1HB   ALA  31          HB1       ALA  31  10.900   6.187  -2.025
  270   2HB   ALA  31          HB2       ALA  31   9.458   7.017  -2.638
  271   3HB   ALA  31          HB3       ALA  31   9.382   5.291  -2.202
  272    H    GLY  32           H        GLY  32  12.958   5.326  -3.724
  273   1HA   GLY  32          HA2       GLY  32  13.604   2.881  -3.018
  274   2HA   GLY  32          HA3       GLY  32  12.883   2.493  -4.583
  275    H    TRP  33           H        TRP  33  14.829   1.820  -5.610
  276    HA   TRP  33           HA       TRP  33  16.717   3.986  -6.175
  277   1HB   TRP  33          HB2       TRP  33  18.679   2.636  -5.755
  278   2HB   TRP  33          HB3       TRP  33  17.748   2.881  -4.298
  279    HD1  TRP  33           HD1      TRP  33  18.158   0.052  -6.964
  280    HE1  TRP  33           HE1      TRP  33  18.407  -2.195  -5.745
  281    HE3  TRP  33           HE3      TRP  33  17.425   1.656  -2.146
  282    HZ2  TRP  33           HZ2      TRP  33  18.380  -3.145  -3.062
  283    HZ3  TRP  33           HZ3      TRP  33  17.564   0.042  -0.270
  284    HH2  TRP  33           HH2      TRP  33  18.054  -2.358  -0.706
  285    H    VAL  34           H        VAL  34  18.166   3.593  -7.928
  286    HA   VAL  34           HA       VAL  34  17.771   1.135  -9.476
  287    HB   VAL  34           HB       VAL  34  16.505   2.739 -10.754
  288   1HG1  VAL  34          HG11      VAL  34  17.418   4.786 -11.719
  289   2HG1  VAL  34          HG12      VAL  34  17.499   4.872  -9.951
  290   3HG1  VAL  34          HG13      VAL  34  18.962   4.525 -10.895
  291   1HG2  VAL  34          HG21      VAL  34  19.193   2.268 -12.092
  292   2HG2  VAL  34          HG22      VAL  34  17.844   1.122 -12.023
  293   3HG2  VAL  34          HG23      VAL  34  17.667   2.642 -12.909
  294    H    LYS  35           H        LYS  35  19.798   0.274 -10.114
  295    HA   LYS  35           HA       LYS  35  22.190   1.923  -9.838
  296   1HB   LYS  35          HB2       LYS  35  23.273   0.517  -8.176
  297   2HB   LYS  35          HB3       LYS  35  21.866   1.348  -7.534
  298   1HG   LYS  35          HG2       LYS  35  20.564  -0.778  -7.616
  299   2HG   LYS  35          HG3       LYS  35  22.007  -1.619  -8.230
  300   1HD   LYS  35          HD2       LYS  35  23.272  -0.920  -6.194
  301   2HD   LYS  35          HD3       LYS  35  21.863  -0.037  -5.623
  302   1HE   LYS  35          HE2       LYS  35  21.991  -2.012  -4.358
  303   2HE   LYS  35          HE3       LYS  35  20.595  -2.174  -5.420
  304   1HZ   LYS  35          HZ1       LYS  35  23.210  -3.377  -6.113
  305   2HZ   LYS  35          HZ2       LYS  35  22.115  -4.141  -5.171
  306   3HZ   LYS  35          HZ3       LYS  35  21.696  -3.787  -6.680
  307    H    ASN  36           H        ASN  36  24.145   0.789 -10.417
  308    HA   ASN  36           HA       ASN  36  23.929  -1.333 -12.428
  309   1HB   ASN  36          HB2       ASN  36  25.835   0.216 -12.508
  310   2HB   ASN  36          HB3       ASN  36  26.260  -0.157 -10.833
  311   1HD2  ASN  36          HD22      ASN  36  27.824  -1.773 -10.557
  312   2HD2  ASN  36          HD21      ASN  36  28.144  -3.022 -11.732
  313    H    ARG  37           H        ARG  37  23.871  -3.513 -11.951
  314    HA   ARG  37           HA       ARG  37  23.947  -4.345  -9.103
  315   1HB   ARG  37          HB2       ARG  37  22.082  -4.993 -10.687
  316   2HB   ARG  37          HB3       ARG  37  23.235  -5.960 -11.602
  317   1HG   ARG  37          HG2       ARG  37  23.568  -7.466  -9.761
  318   2HG   ARG  37          HG3       ARG  37  22.784  -6.362  -8.613
  319   1HD   ARG  37          HD2       ARG  37  20.609  -6.736  -9.626
  320   2HD   ARG  37          HD3       ARG  37  21.332  -7.653 -10.953
  321    HE   ARG  37           HE       ARG  37  21.433  -9.511  -9.651
  322   1HH1  ARG  37          HH21      ARG  37  20.781  -6.748  -7.434
  323   2HH1  ARG  37          HH22      ARG  37  20.572  -7.780  -6.068
  324   1HH2  ARG  37          HH11      ARG  37  21.096 -10.816  -7.817
  325   2HH2  ARG  37          HH12      ARG  37  20.729 -10.119  -6.287
  326    H    ASP  38           H        ASP  38  25.400  -6.129  -8.487
  327    HA   ASP  38           HA       ASP  38  28.040  -5.701  -9.259
  328   1HB   ASP  38          HB2       ASP  38  27.391  -6.703  -7.131
  329   2HB   ASP  38          HB3       ASP  38  26.784  -8.142  -7.955
  330    H    ASP  39           H        ASP  39  25.746  -8.077 -10.579
  331    HA   ASP  39           HA       ASP  39  27.621  -9.596 -12.121
  332   1HB   ASP  39          HB2       ASP  39  25.350 -10.364 -11.505
  333   2HB   ASP  39          HB3       ASP  39  24.644  -9.118 -12.540
  334    H    GLY  40           H        GLY  40  26.440  -6.377 -12.590
  335   1HA   GLY  40          HA2       GLY  40  27.256  -4.926 -14.217
  336   2HA   GLY  40          HA3       GLY  40  27.531  -6.262 -15.342
  337    H    ARG  41           H        ARG  41  24.441  -6.589 -13.902
  338    HA   ARG  41           HA       ARG  41  23.074  -5.517 -16.302
  339   1HB   ARG  41          HB2       ARG  41  21.880  -6.830 -13.821
  340   2HB   ARG  41          HB3       ARG  41  21.064  -6.484 -15.332
  341   1HG   ARG  41          HG2       ARG  41  22.918  -8.727 -14.661
  342   2HG   ARG  41          HG3       ARG  41  21.354  -8.732 -15.454
  343   1HD   ARG  41          HD2       ARG  41  22.556  -9.181 -17.308
  344   2HD   ARG  41          HD3       ARG  41  22.770  -7.427 -17.364
  345    HE   ARG  41           HE       ARG  41  24.718  -9.119 -15.876
  346   1HH1  ARG  41          HH21      ARG  41  24.093  -7.489 -19.007
  347   2HH1  ARG  41          HH22      ARG  41  25.774  -7.267 -19.348
  348   1HH2  ARG  41          HH11      ARG  41  26.916  -8.676 -16.290
  349   2HH2  ARG  41          HH12      ARG  41  27.408  -8.074 -17.839
  350    H    VAL  42           H        VAL  42  20.912  -4.286 -15.604
  351    HA   VAL  42           HA       VAL  42  21.638  -2.215 -13.568
  352    HB   VAL  42           HB       VAL  42  19.470  -2.102 -15.709
  353   1HG1  VAL  42          HG11      VAL  42  19.381   0.322 -15.054
  354   2HG1  VAL  42          HG12      VAL  42  18.903  -0.743 -13.733
  355   3HG1  VAL  42          HG13      VAL  42  20.521  -0.016 -13.728
  356   1HG2  VAL  42          HG21      VAL  42  21.695  -1.949 -16.765
  357   2HG2  VAL  42          HG22      VAL  42  20.912  -0.371 -16.775
  358   3HG2  VAL  42          HG23      VAL  42  22.191  -0.720 -15.582
  359    H    GLU  43           H        GLU  43  20.206  -1.973 -11.819
  360    HA   GLU  43           HA       GLU  43  18.050  -4.007 -11.464
  361   1HB   GLU  43          HB2       GLU  43  19.958  -4.724 -10.194
  362   2HB   GLU  43          HB3       GLU  43  20.256  -3.088  -9.584
  363   1HG   GLU  43          HG2       GLU  43  17.964  -3.270  -8.410
  364   2HG   GLU  43          HG3       GLU  43  18.012  -4.995  -8.817
  365    H    ILE  44           H        ILE  44  16.226  -3.151 -10.647
  366    HA   ILE  44           HA       ILE  44  16.064  -0.308  -9.793
  367    HB   ILE  44           HB       ILE  44  14.155  -2.040 -11.426
  368   1HG1  ILE  44          HG12      ILE  44  15.708   0.297 -12.602
  369   2HG1  ILE  44          HG13      ILE  44  16.338  -1.333 -12.691
  370   1HG2  ILE  44          HG21      ILE  44  14.045   0.956 -10.923
  371   2HG2  ILE  44          HG22      ILE  44  12.865   0.002 -11.836
  372   3HG2  ILE  44          HG23      ILE  44  13.033  -0.252 -10.103
  373   1HD1  ILE  44          HD11      ILE  44  15.198  -0.900 -14.716
  374   2HD1  ILE  44          HD12      ILE  44  14.343  -2.148 -13.778
  375   3HD1  ILE  44          HD13      ILE  44  13.703  -0.482 -13.856
  376    H    LEU  45           H        LEU  45  14.778  -0.112  -7.873
  377    HA   LEU  45           HA       LEU  45  13.102  -2.393  -7.032
  378   1HB   LEU  45          HB2       LEU  45  15.460  -2.556  -6.002
  379   2HB   LEU  45          HB3       LEU  45  15.075  -1.090  -5.106
  380    HG   LEU  45           HG       LEU  45  13.534  -3.726  -5.000
  381   1HD1  LEU  45          HD11      LEU  45  15.823  -3.841  -4.045
  382   2HD1  LEU  45          HD12      LEU  45  15.419  -2.492  -2.960
  383   3HD1  LEU  45          HD13      LEU  45  14.570  -4.046  -2.813
  384   1HD2  LEU  45          HD21      LEU  45  12.583  -2.726  -2.839
  385   2HD2  LEU  45          HD22      LEU  45  13.177  -1.152  -3.407
  386   3HD2  LEU  45          HD23      LEU  45  11.950  -2.059  -4.329
  387    H    ALA  46           H        ALA  46  11.115  -1.469  -6.570
  388    HA   ALA  46           HA       ALA  46  11.074   1.351  -5.686
  389   1HB   ALA  46          HB1       ALA  46   9.595   0.329  -8.156
  390   2HB   ALA  46          HB2       ALA  46   9.460   1.950  -7.444
  391   3HB   ALA  46          HB3       ALA  46  10.992   1.432  -8.167
  392    H    GLU  47           H        GLU  47   9.431   1.887  -4.497
  393    HA   GLU  47           HA       GLU  47   7.289  -0.045  -3.753
  394   1HB   GLU  47          HB2       GLU  47   8.970   0.703  -2.004
  395   2HB   GLU  47          HB3       GLU  47   8.532   2.371  -2.355
  396   1HG   GLU  47          HG2       GLU  47   6.081   1.561  -1.711
  397   2HG   GLU  47          HG3       GLU  47   6.942   0.239  -0.934
  398    H    GLY  48           H        GLY  48   5.119   0.774  -3.910
  399   1HA   GLY  48          HA2       GLY  48   4.348   3.427  -3.834
  400   2HA   GLY  48          HA3       GLY  48   4.625   3.112  -5.547
  401    HA   PRO  49           HA       PRO  49   0.338   1.587  -4.580
  402   1HB   PRO  49          HB2       PRO  49  -1.074   3.224  -6.273
  403   2HB   PRO  49          HB3       PRO  49  -0.686   3.648  -4.577
  404   1HG   PRO  49          HG2       PRO  49   0.720   4.526  -7.093
  405   2HG   PRO  49          HG3       PRO  49   0.285   5.508  -5.666
  406   1HD   PRO  49          HD2       PRO  49   2.807   4.462  -6.075
  407   2HD   PRO  49          HD3       PRO  49   2.122   4.725  -4.445
  408    H    GLU  50           H        GLU  50  -0.873   0.273  -6.038
  409    HA   GLU  50           HA       GLU  50   0.795  -1.267  -7.608
  410   1HB   GLU  50          HB2       GLU  50  -1.276  -2.028  -6.511
  411   2HB   GLU  50          HB3       GLU  50  -2.246  -1.112  -7.672
  412   1HG   GLU  50          HG2       GLU  50  -1.344  -2.523  -9.522
  413   2HG   GLU  50          HG3       GLU  50  -0.361  -3.413  -8.357
  414    H    ASN  51           H        ASN  51  -1.642   1.145  -8.845
  415    HA   ASN  51           HA       ASN  51  -1.014   0.386 -11.549
  416   1HB   ASN  51          HB2       ASN  51  -3.211   1.319 -10.922
  417   2HB   ASN  51          HB3       ASN  51  -2.448   2.891 -10.613
  418   1HD2  ASN  51          HD22      ASN  51  -2.460   0.337 -13.241
  419   2HD2  ASN  51          HD21      ASN  51  -2.607   1.496 -14.542
  420    H    ALA  52           H        ALA  52   0.385   2.807  -9.395
  421    HA   ALA  52           HA       ALA  52   1.828   4.241 -11.459
  422   1HB   ALA  52          HB1       ALA  52   1.575   5.209  -9.210
  423   2HB   ALA  52          HB2       ALA  52   2.466   3.835  -8.500
  424   3HB   ALA  52          HB3       ALA  52   3.291   4.962  -9.580
  425    H    LEU  53           H        LEU  53   2.519   1.423  -9.330
  426    HA   LEU  53           HA       LEU  53   5.117   0.904 -10.376
  427   1HB   LEU  53          HB2       LEU  53   3.035  -0.767  -8.933
  428   2HB   LEU  53          HB3       LEU  53   4.551  -1.462  -9.445
  429    HG   LEU  53           HG       LEU  53   4.359   0.965  -7.618
  430   1HD1  LEU  53          HD11      LEU  53   4.800  -1.980  -6.955
  431   2HD1  LEU  53          HD12      LEU  53   4.936  -0.623  -5.817
  432   3HD1  LEU  53          HD13      LEU  53   3.371  -0.995  -6.546
  433   1HD2  LEU  53          HD21      LEU  53   6.556   0.782  -8.797
  434   2HD2  LEU  53          HD22      LEU  53   6.705   0.477  -7.067
  435   3HD2  LEU  53          HD23      LEU  53   6.721  -0.882  -8.206
  436    H    GLN  54           H        GLN  54   1.887  -0.382 -11.411
  437    HA   GLN  54           HA       GLN  54   2.826  -2.077 -13.471
  438   1HB   GLN  54          HB2       GLN  54   0.315  -0.373 -13.258
  439   2HB   GLN  54          HB3       GLN  54   0.583  -1.509 -14.576
  440   1HG   GLN  54          HG2       GLN  54   0.608  -3.398 -13.110
  441   2HG   GLN  54          HG3       GLN  54   0.599  -2.402 -11.666
  442   1HE2  GLN  54          HE22      GLN  54  -1.344  -4.477 -12.289
  443   2HE2  GLN  54          HE21      GLN  54  -2.899  -3.696 -12.422
  444    H    SER  55           H        SER  55   1.947   1.407 -13.647
  445    HA   SER  55           HA       SER  55   2.534   1.837 -16.377
  446   1HB   SER  55          HB2       SER  55   3.019   3.798 -14.100
  447   2HB   SER  55          HB3       SER  55   2.716   4.182 -15.794
  448    HG   SER  55           HG       SER  55   0.864   2.985 -13.957
  449    H    PHE  56           H        PHE  56   4.661   1.914 -13.484
  450    HA   PHE  56           HA       PHE  56   6.953   2.746 -14.938
  451   1HB   PHE  56          HB2       PHE  56   6.567   3.159 -12.575
  452   2HB   PHE  56          HB3       PHE  56   6.672   1.449 -12.218
  453    HD1  PHE  56           HD2      PHE  56   8.766   3.927 -14.187
  454    HD2  PHE  56           HD1      PHE  56   8.629   1.027 -10.996
  455    HE1  PHE  56           HE2      PHE  56  11.168   4.318 -13.703
  456    HE2  PHE  56           HE1      PHE  56  11.015   1.426 -10.522
  457    HZ   PHE  56           HZ       PHE  56  12.270   3.104 -11.828
  458    H    VAL  57           H        VAL  57   5.644  -0.590 -14.250
  459    HA   VAL  57           HA       VAL  57   7.982  -1.880 -15.321
  460    HB   VAL  57           HB       VAL  57   5.131  -2.933 -15.582
  461   1HG1  VAL  57          HG11      VAL  57   7.861  -4.316 -15.592
  462   2HG1  VAL  57          HG12      VAL  57   6.286  -5.139 -15.666
  463   3HG1  VAL  57          HG13      VAL  57   6.797  -4.103 -16.997
  464   1HG2  VAL  57          HG21      VAL  57   5.477  -2.621 -13.229
  465   2HG2  VAL  57          HG22      VAL  57   5.710  -4.325 -13.558
  466   3HG2  VAL  57          HG23      VAL  57   7.128  -3.282 -13.315
  467    H    GLU  58           H        GLU  58   4.956  -0.611 -16.875
  468    HA   GLU  58           HA       GLU  58   5.607  -1.448 -19.484
  469   1HB   GLU  58          HB2       GLU  58   4.038   1.012 -18.611
  470   2HB   GLU  58          HB3       GLU  58   4.097   0.395 -20.252
  471   1HG   GLU  58          HG2       GLU  58   3.010  -1.143 -17.856
  472   2HG   GLU  58          HG3       GLU  58   2.044  -0.254 -19.023
  473    H    ALA  59           H        ALA  59   6.580   1.531 -17.740
  474    HA   ALA  59           HA       ALA  59   8.045   2.667 -19.896
  475   1HB   ALA  59          HB1       ALA  59   7.360   3.945 -17.899
  476   2HB   ALA  59          HB2       ALA  59   8.472   2.987 -16.892
  477   3HB   ALA  59          HB3       ALA  59   9.111   4.039 -18.164
  478    H    VAL  60           H        VAL  60   9.126   0.597 -17.131
  479    HA   VAL  60           HA       VAL  60  11.869   0.670 -17.787
  480    HB   VAL  60           HB       VAL  60  10.113  -1.112 -16.072
  481   1HG1  VAL  60          HG11      VAL  60  12.139  -2.066 -15.038
  482   2HG1  VAL  60          HG12      VAL  60  11.937  -2.599 -16.705
  483   3HG1  VAL  60          HG13      VAL  60  13.129  -1.339 -16.327
  484   1HG2  VAL  60          HG21      VAL  60  11.210   0.062 -14.237
  485   2HG2  VAL  60          HG22      VAL  60  12.343   0.858 -15.357
  486   3HG2  VAL  60          HG23      VAL  60  10.629   1.278 -15.374
  487    H    LYS  61           H        LYS  61   9.338  -1.766 -18.692
  488    HA   LYS  61           HA       LYS  61  11.236  -3.560 -19.806
  489   1HB   LYS  61          HB2       LYS  61   9.413  -4.799 -20.651
  490   2HB   LYS  61          HB3       LYS  61   8.908  -4.145 -19.094
  491   1HG   LYS  61          HG2       LYS  61   7.626  -2.349 -20.305
  492   2HG   LYS  61          HG3       LYS  61   8.127  -3.074 -21.847
  493   1HD   LYS  61          HD2       LYS  61   7.040  -5.258 -20.963
  494   2HD   LYS  61          HD3       LYS  61   6.304  -4.226 -19.716
  495   1HE   LYS  61          HE2       LYS  61   5.452  -2.751 -21.641
  496   2HE   LYS  61          HE3       LYS  61   6.020  -4.006 -22.752
  497   1HZ   LYS  61          HZ1       LYS  61   4.507  -5.554 -21.536
  498   2HZ   LYS  61          HZ2       LYS  61   3.939  -4.258 -20.671
  499   3HZ   LYS  61          HZ3       LYS  61   3.714  -4.334 -22.284
  500    H    ASN  62           H        ASN  62   9.885  -0.626 -21.165
  501    HA   ASN  62           HA       ASN  62  10.497  -1.205 -23.934
  502   1HB   ASN  62          HB2       ASN  62   8.963   0.635 -23.184
  503   2HB   ASN  62          HB3       ASN  62  10.347   1.478 -22.482
  504   1HD2  ASN  62          HD22      ASN  62  11.670   2.711 -23.799
  505   2HD2  ASN  62          HD21      ASN  62  11.411   2.894 -25.530
  506    H    GLY  63           H        GLY  63  12.408  -0.253 -21.126
  507   1HA   GLY  63          HA2       GLY  63  14.606   0.441 -20.906
  508   2HA   GLY  63          HA3       GLY  63  14.870   0.233 -22.636
  509    H    SER  64           H        SER  64  15.886   2.576 -22.046
  510    HA   SER  64           HA       SER  64  13.916   4.729 -22.311
  511   1HB   SER  64          HB2       SER  64  15.821   6.122 -22.877
  512   2HB   SER  64          HB3       SER  64  16.185   5.170 -21.431
  513    HG   SER  64           HG       SER  64  17.924   5.120 -22.865
  514    HA   PRO  65           HA       PRO  65  13.309   4.390 -26.827
  515   1HB   PRO  65          HB2       PRO  65  14.356   7.233 -26.733
  516   2HB   PRO  65          HB3       PRO  65  13.036   6.561 -27.745
  517   1HG   PRO  65          HG2       PRO  65  12.444   7.901 -25.463
  518   2HG   PRO  65          HG3       PRO  65  11.580   6.380 -25.855
  519   1HD   PRO  65          HD2       PRO  65  13.806   6.817 -23.875
  520   2HD   PRO  65          HD3       PRO  65  12.390   5.713 -23.785
  521    H    PHE  66           H        PHE  66  16.403   5.472 -25.395
  522    HA   PHE  66           HA       PHE  66  17.918   4.988 -27.864
  523   1HB   PHE  66          HB2       PHE  66  18.920   5.528 -25.046
  524   2HB   PHE  66          HB3       PHE  66  19.833   5.649 -26.540
  525    HD1  PHE  66           HD2      PHE  66  19.069   7.416 -28.296
  526    HD2  PHE  66           HD1      PHE  66  17.763   7.430 -24.180
  527    HE1  PHE  66           HE2      PHE  66  18.408   9.800 -28.508
  528    HE2  PHE  66           HE1      PHE  66  17.101   9.810 -24.402
  529    HZ   PHE  66           HZ       PHE  66  17.421  11.000 -26.564
  530    H    SER  67           H        SER  67  16.883   3.161 -25.047
  531    HA   SER  67           HA       SER  67  19.120   1.331 -24.976
  532   1HB   SER  67          HB2       SER  67  16.311   1.176 -23.825
  533   2HB   SER  67          HB3       SER  67  17.635   0.101 -23.389
  534    HG   SER  67           HG       SER  67  17.673   2.936 -23.009
  535    H    LYS  68           H        LYS  68  18.712  -1.033 -25.086
  536    HA   LYS  68           HA       LYS  68  16.370  -1.955 -26.575
  537   1HB   LYS  68          HB2       LYS  68  18.045  -1.826 -28.386
  538   2HB   LYS  68          HB3       LYS  68  19.179  -2.798 -27.436
  539   1HG   LYS  68          HG2       LYS  68  17.514  -4.674 -27.409
  540   2HG   LYS  68          HG3       LYS  68  16.430  -3.712 -28.416
  541   1HD   LYS  68          HD2       LYS  68  19.244  -4.598 -29.204
  542   2HD   LYS  68          HD3       LYS  68  17.754  -5.452 -29.631
  543   1HE   LYS  68          HE2       LYS  68  16.930  -3.414 -30.817
  544   2HE   LYS  68          HE3       LYS  68  18.455  -2.598 -30.452
  545   1HZ   LYS  68          HZ1       LYS  68  18.469  -3.555 -32.669
  546   2HZ   LYS  68          HZ2       LYS  68  19.594  -4.308 -31.762
  547   3HZ   LYS  68          HZ3       LYS  68  18.177  -5.048 -32.097
  548    H    VAL  69           H        VAL  69  15.592  -2.852 -24.676
  549    HA   VAL  69           HA       VAL  69  17.221  -4.402 -22.834
  550    HB   VAL  69           HB       VAL  69  14.199  -4.353 -23.308
  551   1HG1  VAL  69          HG11      VAL  69  14.062  -5.258 -20.980
  552   2HG1  VAL  69          HG12      VAL  69  14.817  -6.392 -22.097
  553   3HG1  VAL  69          HG13      VAL  69  15.830  -5.461 -20.979
  554   1HG2  VAL  69          HG21      VAL  69  15.914  -2.822 -21.303
  555   2HG2  VAL  69          HG22      VAL  69  14.973  -2.133 -22.642
  556   3HG2  VAL  69          HG23      VAL  69  14.137  -2.887 -21.288
  557    H    THR  70           H        THR  70  17.786  -6.560 -23.070
  558    HA   THR  70           HA       THR  70  16.466  -8.131 -25.238
  559    HB   THR  70           HB       THR  70  18.615  -9.327 -25.464
  560    HG1  THR  70           HG1      THR  70  19.664  -9.000 -23.575
  561   1HG2  THR  70          HG21      THR  70  19.831  -7.583 -26.653
  562   2HG2  THR  70          HG22      THR  70  18.095  -7.355 -26.925
  563   3HG2  THR  70          HG23      THR  70  18.959  -6.309 -25.775
  564    H    ASP  71           H        ASP  71  17.160  -7.910 -21.802
  565    HA   ASP  71           HA       ASP  71  15.431 -10.221 -21.396
  566   1HB   ASP  71          HB2       ASP  71  17.613 -11.343 -21.433
  567   2HB   ASP  71          HB3       ASP  71  18.276 -10.161 -20.308
  568    H    ILE  72           H        ILE  72  14.395 -10.096 -19.379
  569    HA   ILE  72           HA       ILE  72  15.106  -8.028 -17.463
  570    HB   ILE  72           HB       ILE  72  13.784  -6.736 -18.964
  571   1HG1  ILE  72          HG12      ILE  72  11.928  -7.495 -16.677
  572   2HG1  ILE  72          HG13      ILE  72  13.384  -6.518 -16.492
  573   1HG2  ILE  72          HG21      ILE  72  11.559  -8.817 -18.840
  574   2HG2  ILE  72          HG22      ILE  72  11.511  -7.275 -19.715
  575   3HG2  ILE  72          HG23      ILE  72  12.621  -8.524 -20.236
  576   1HD1  ILE  72          HD11      ILE  72  11.450  -5.063 -16.637
  577   2HD1  ILE  72          HD12      ILE  72  12.461  -4.833 -18.077
  578   3HD1  ILE  72          HD13      ILE  72  10.951  -5.775 -18.169
  579    H    SER  73           H        SER  73  14.356  -8.574 -15.396
  580    HA   SER  73           HA       SER  73  12.743 -11.045 -15.035
  581   1HB   SER  73          HB2       SER  73  15.444 -10.482 -13.720
  582   2HB   SER  73          HB3       SER  73  14.379 -11.853 -13.375
  583    HG   SER  73           HG       SER  73  15.752 -11.282 -15.799
  584    H    VAL  74           H        VAL  74  11.809 -11.141 -12.848
  585    HA   VAL  74           HA       VAL  74  11.610  -8.497 -11.502
  586    HB   VAL  74           HB       VAL  74   9.295 -10.231 -12.468
  587   1HG1  VAL  74          HG11      VAL  74   8.647  -9.078 -10.425
  588   2HG1  VAL  74          HG12      VAL  74   9.295  -7.541 -11.025
  589   3HG1  VAL  74          HG13      VAL  74   7.873  -8.280 -11.789
  590   1HG2  VAL  74          HG21      VAL  74   8.745  -8.305 -13.965
  591   2HG2  VAL  74          HG22      VAL  74  10.295  -7.556 -13.531
  592   3HG2  VAL  74          HG23      VAL  74  10.250  -9.105 -14.400
  593    H    THR  75           H        THR  75  11.084  -8.580  -9.356
  594    HA   THR  75           HA       THR  75  10.512 -11.127  -7.978
  595    HB   THR  75           HB       THR  75  12.262  -9.058  -6.669
  596    HG1  THR  75           HG1      THR  75  13.173  -9.768  -8.807
  597   1HG2  THR  75          HG21      THR  75  12.222 -12.087  -6.466
  598   2HG2  THR  75          HG22      THR  75  13.202 -10.976  -5.479
  599   3HG2  THR  75          HG23      THR  75  11.440 -10.946  -5.345
  600    H    GLU  76           H        GLU  76   9.166 -10.580  -5.988
  601    HA   GLU  76           HA       GLU  76   8.039  -7.809  -6.043
  602   1HB   GLU  76          HB2       GLU  76   6.533 -10.442  -5.886
  603   2HB   GLU  76          HB3       GLU  76   5.834  -8.849  -5.561
  604   1HG   GLU  76          HG2       GLU  76   6.409  -8.116  -7.863
  605   2HG   GLU  76          HG3       GLU  76   7.065  -9.715  -8.215
  606    H    SER  77           H        SER  77   7.229  -7.064  -3.983
  607    HA   SER  77           HA       SER  77   7.867  -8.657  -1.600
  608   1HB   SER  77          HB2       SER  77   9.161  -6.530  -0.766
  609   2HB   SER  77          HB3       SER  77   9.986  -7.760  -1.722
  610    HG   SER  77           HG       SER  77   9.892  -6.468  -3.499
  611    H    ARG  78           H        ARG  78   7.225  -7.428   0.388
  612    HA   ARG  78           HA       ARG  78   5.108  -5.398   0.000
  613   1HB   ARG  78          HB2       ARG  78   4.721  -8.026   1.512
  614   2HB   ARG  78          HB3       ARG  78   3.643  -6.624   1.622
  615   1HG   ARG  78          HG2       ARG  78   3.203  -6.776  -0.828
  616   2HG   ARG  78          HG3       ARG  78   4.181  -8.248  -0.903
  617   1HD   ARG  78          HD2       ARG  78   1.650  -7.885   0.759
  618   2HD   ARG  78          HD3       ARG  78   1.751  -8.700  -0.795
  619    HE   ARG  78           HE       ARG  78   3.017 -10.465   0.131
  620   1HH1  ARG  78          HH21      ARG  78   1.797  -8.260   2.642
  621   2HH1  ARG  78          HH22      ARG  78   2.012  -9.387   3.927
  622   1HH2  ARG  78          HH11      ARG  78   3.295 -11.957   1.841
  623   2HH2  ARG  78          HH12      ARG  78   2.875 -11.536   3.457
  624    H    SER  79           H        SER  79   7.598  -4.868   0.570
  625    HA   SER  79           HA       SER  79   8.120  -5.096   3.487
  626   1HB   SER  79          HB2       SER  79  10.091  -5.562   1.225
  627   2HB   SER  79          HB3       SER  79  10.234  -6.023   2.931
  628    HG   SER  79           HG       SER  79   9.668  -7.836   1.759
  629    H    LEU  80           H        LEU  80   7.084  -2.848   2.324
  630    HA   LEU  80           HA       LEU  80   8.063  -0.881   1.012
  631   1HB   LEU  80          HB2       LEU  80   6.795  -0.754   3.737
  632   2HB   LEU  80          HB3       LEU  80   7.275   0.714   2.899
  633    HG   LEU  80           HG       LEU  80   5.781   0.369   1.093
  634   1HD1  LEU  80          HD11      LEU  80   5.044  -2.360   2.218
  635   2HD1  LEU  80          HD12      LEU  80   4.214  -1.522   0.890
  636   3HD1  LEU  80          HD13      LEU  80   5.879  -2.026   0.669
  637   1HD2  LEU  80          HD21      LEU  80   4.355  -0.319   3.687
  638   2HD2  LEU  80          HD22      LEU  80   4.857   1.306   3.172
  639   3HD2  LEU  80          HD23      LEU  80   3.629   0.431   2.249
  640    H    GLU  81           H        GLU  81  10.049  -0.254   0.631
  641    HA   GLU  81           HA       GLU  81  12.248  -0.157   2.398
  642   1HB   GLU  81          HB2       GLU  81  11.721   1.609  -0.040
  643   2HB   GLU  81          HB3       GLU  81  13.273   1.384   0.751
  644   1HG   GLU  81          HG2       GLU  81  11.737  -0.587  -0.945
  645   2HG   GLU  81          HG3       GLU  81  13.313   0.088  -1.224
  646    H    GLY  82           H        GLY  82   9.655   2.218   1.832
  647   1HA   GLY  82          HA2       GLY  82   9.133   4.196   2.825
  648   2HA   GLY  82          HA3       GLY  82  10.145   3.730   4.206
  649    H    HIS  83           H        HIS  83  11.380   4.010   0.880
  650    HA   HIS  83           HA       HIS  83  13.600   5.562   1.764
  651   1HB   HIS  83          HB2       HIS  83  13.300   3.899  -0.281
  652   2HB   HIS  83          HB3       HIS  83  12.797   5.338  -1.145
  653    HD1  HIS  83           HD1      HIS  83  14.835   6.369  -2.401
  654    HD2  HIS  83           HD2      HIS  83  15.829   4.412   1.193
  655    HE1  HIS  83           HE1      HIS  83  17.363   6.574  -2.141
  656    H    HIS  84           H        HIS  84  14.186   7.746   1.202
  657    HA   HIS  84           HA       HIS  84  12.066   9.583   1.621
  658   1HB   HIS  84          HB2       HIS  84  14.901  10.141   0.652
  659   2HB   HIS  84          HB3       HIS  84  13.804  11.298   1.403
  660    HD1  HIS  84           HD1      HIS  84  16.596   9.134   2.378
  661    HD2  HIS  84           HD2      HIS  84  12.939  10.381   4.058
  662    HE1  HIS  84           HE1      HIS  84  16.783   8.724   4.881
  663    H    ARG  85           H        ARG  85  13.557   8.434  -1.359
  664    HA   ARG  85           HA       ARG  85  11.638   9.755  -3.064
  665   1HB   ARG  85          HB2       ARG  85  13.208  11.092  -4.359
  666   2HB   ARG  85          HB3       ARG  85  13.270  11.619  -2.683
  667   1HG   ARG  85          HG2       ARG  85  15.339  10.181  -2.373
  668   2HG   ARG  85          HG3       ARG  85  15.280   9.839  -4.103
  669   1HD   ARG  85          HD2       ARG  85  15.607  12.588  -2.847
  670   2HD   ARG  85          HD3       ARG  85  16.912  11.614  -3.514
  671    HE   ARG  85           HE       ARG  85  14.945  13.207  -4.950
  672   1HH1  ARG  85          HH21      ARG  85  17.186  10.467  -5.336
  673   2HH1  ARG  85          HH22      ARG  85  17.269  10.657  -7.059
  674   1HH2  ARG  85          HH11      ARG  85  15.185  13.455  -7.230
  675   2HH2  ARG  85          HH12      ARG  85  16.243  12.413  -8.111
  676    H    PHE  86           H        PHE  86  12.718   9.259  -5.519
  677    HA   PHE  86           HA       PHE  86  13.687   6.441  -5.434
  678   1HB   PHE  86          HB2       PHE  86  11.712   7.107  -6.946
  679   2HB   PHE  86          HB3       PHE  86  12.843   8.073  -7.851
  680    HD1  PHE  86           HD2      PHE  86  12.166   4.559  -6.659
  681    HD2  PHE  86           HD1      PHE  86  14.203   7.091  -9.454
  682    HE1  PHE  86           HE2      PHE  86  12.994   2.554  -7.860
  683    HE2  PHE  86           HE1      PHE  86  15.039   5.075 -10.680
  684    HZ   PHE  86           HZ       PHE  86  14.425   2.810  -9.860
  685    H    SER  87           H        SER  87  15.946   6.177  -5.764
  686    HA   SER  87           HA       SER  87  17.475   8.567  -6.724
  687   1HB   SER  87          HB2       SER  87  17.875   6.807  -4.300
  688   2HB   SER  87          HB3       SER  87  19.168   7.831  -4.969
  689    HG   SER  87           HG       SER  87  17.975   8.916  -3.349
  690    H    ILE  88           H        ILE  88  19.362   8.277  -7.848
  691    HA   ILE  88           HA       ILE  88  19.893   5.591  -8.951
  692    HB   ILE  88           HB       ILE  88  21.514   8.119  -9.454
  693   1HG1  ILE  88          HG12      ILE  88  19.013   7.189 -10.929
  694   2HG1  ILE  88          HG13      ILE  88  19.269   8.721 -10.078
  695   1HG2  ILE  88          HG21      ILE  88  22.495   5.894 -10.095
  696   2HG2  ILE  88          HG22      ILE  88  21.076   5.607 -11.128
  697   3HG2  ILE  88          HG23      ILE  88  22.205   6.930 -11.487
  698   1HD1  ILE  88          HD11      ILE  88  20.523   7.895 -12.706
  699   2HD1  ILE  88          HD12      ILE  88  19.370   9.197 -12.391
  700   3HD1  ILE  88          HD13      ILE  88  21.024   9.324 -11.761
  701    H    VAL  89           H        VAL  89  21.604   4.341  -8.158
  702    HA   VAL  89           HA       VAL  89  23.374   5.512  -6.068
  703    HB   VAL  89           HB       VAL  89  21.908   2.838  -5.919
  704   1HG1  VAL  89          HG11      VAL  89  24.091   2.721  -4.803
  705   2HG1  VAL  89          HG12      VAL  89  23.736   4.217  -3.904
  706   3HG1  VAL  89          HG13      VAL  89  22.798   2.738  -3.607
  707   1HG2  VAL  89          HG21      VAL  89  20.712   3.809  -3.969
  708   2HG2  VAL  89          HG22      VAL  89  21.424   5.395  -4.340
  709   3HG2  VAL  89          HG23      VAL  89  20.300   4.616  -5.477
  710    H    TYR  90           H        TYR  90  25.471   4.743  -6.147
  711    HA   TYR  90           HA       TYR  90  26.219   2.616  -8.056
  712   1HB   TYR  90          HB2       TYR  90  27.835   4.140  -9.166
  713   2HB   TYR  90          HB3       TYR  90  26.166   4.588  -9.426
  714    HD1  TYR  90           HD2      TYR  90  29.305   5.545  -7.673
  715    HD2  TYR  90           HD1      TYR  90  25.248   6.686  -8.607
  716    HE1  TYR  90           HE2      TYR  90  29.769   7.840  -6.868
  717    HE2  TYR  90           HE1      TYR  90  25.699   8.980  -7.807
  718    HH   TYR  90           HH       TYR  90  27.277  10.437  -6.896
  719    H    SER  91           H        SER  91  26.417   3.650  -4.996
  720    HA   SER  91           HA       SER  91  29.082   3.876  -4.254
  721   1HB   SER  91          HB2       SER  91  26.893   2.489  -2.661
  722   2HB   SER  91          HB3       SER  91  28.289   3.385  -2.043
  723    HG   SER  91           HG       SER  91  26.374   4.665  -1.994
  Start of MODEL   13
    1   1H    MET   1          H1        MET   1  -0.650   0.628  -0.941
    2   2H    MET   1          H2        MET   1  -0.689  -0.781  -1.777
    3   3H    MET   1          H3        MET   1  -0.273  -0.792  -0.200
    4    HA   MET   1           HA       MET   1   1.283   0.440  -2.376
    5   1HB   MET   1          HB2       MET   1   1.948   0.184   0.595
    6   2HB   MET   1          HB3       MET   1   3.085   0.674  -0.661
    7   1HG   MET   1          HG2       MET   1   0.582   2.188   0.163
    8   2HG   MET   1          HG3       MET   1   2.249   2.606   0.536
    9   1HE   MET   1          HE1       MET   1   0.168   4.670  -0.689
   10   2HE   MET   1          HE2       MET   1   1.858   5.073  -0.304
   11   3HE   MET   1          HE3       MET   1   1.187   5.479  -1.899
   12    H    LEU   2           H        LEU   2   3.005  -0.787  -3.183
   13    HA   LEU   2           HA       LEU   2   3.564  -3.462  -2.037
   14   1HB   LEU   2          HB2       LEU   2   2.759  -2.848  -4.916
   15   2HB   LEU   2          HB3       LEU   2   3.666  -4.289  -4.490
   16    HG   LEU   2           HG       LEU   2   0.890  -3.647  -3.430
   17   1HD1  LEU   2          HD11      LEU   2   0.913  -4.116  -5.850
   18   2HD1  LEU   2          HD12      LEU   2   1.807  -5.624  -5.561
   19   3HD1  LEU   2          HD13      LEU   2   0.149  -5.431  -4.949
   20   1HD2  LEU   2          HD21      LEU   2   0.922  -6.045  -2.710
   21   2HD2  LEU   2          HD22      LEU   2   2.640  -6.140  -3.155
   22   3HD2  LEU   2          HD23      LEU   2   2.102  -5.070  -1.839
   23    H    GLN   3           H        GLN   3   5.556  -4.341  -3.366
   24    HA   GLN   3           HA       GLN   3   7.374  -2.209  -4.253
   25   1HB   GLN   3          HB2       GLN   3   7.768  -2.533  -1.851
   26   2HB   GLN   3          HB3       GLN   3   7.940  -4.267  -2.068
   27   1HG   GLN   3          HG2       GLN   3   9.844  -2.532  -3.616
   28   2HG   GLN   3          HG3       GLN   3   9.982  -2.504  -1.873
   29   1HE2  GLN   3          HE22      GLN   3  11.607  -3.850  -1.163
   30   2HE2  GLN   3          HE21      GLN   3  11.924  -5.436  -1.847
   31    H    TYR   4           H        TYR   4   9.001  -3.044  -5.713
   32    HA   TYR   4           HA       TYR   4   9.169  -5.919  -6.001
   33   1HB   TYR   4          HB2       TYR   4   9.154  -5.882  -8.493
   34   2HB   TYR   4          HB3       TYR   4   7.606  -5.682  -7.722
   35    HD1  TYR   4           HD1      TYR   4  10.293  -3.145  -8.726
   36    HD2  TYR   4           HD2      TYR   4   6.241  -4.583  -9.178
   37    HE1  TYR   4           HE1      TYR   4   9.837  -1.342 -10.331
   38    HE2  TYR   4           HE2      TYR   4   5.807  -2.813 -10.828
   39    HH   TYR   4           HH       TYR   4   6.652  -0.951 -11.932
   40    H    ARG   5           H        ARG   5  11.036  -6.547  -7.296
   41    HA   ARG   5           HA       ARG   5  13.099  -4.445  -7.656
   42   1HB   ARG   5          HB2       ARG   5  13.603  -6.047  -5.695
   43   2HB   ARG   5          HB3       ARG   5  13.716  -7.331  -6.907
   44   1HG   ARG   5          HG2       ARG   5  15.491  -5.866  -8.077
   45   2HG   ARG   5          HG3       ARG   5  15.459  -4.836  -6.642
   46   1HD   ARG   5          HD2       ARG   5  16.213  -7.780  -6.795
   47   2HD   ARG   5          HD3       ARG   5  17.315  -6.443  -6.528
   48    HE   ARG   5           HE       ARG   5  15.309  -7.547  -4.634
   49   1HH1  ARG   5          HH21      ARG   5  18.046  -5.227  -5.025
   50   2HH1  ARG   5          HH22      ARG   5  18.505  -5.386  -3.369
   51   1HH2  ARG   5          HH11      ARG   5  15.846  -7.511  -2.434
   52   2HH2  ARG   5          HH12      ARG   5  17.161  -6.566  -1.859
   53    H    ILE   6           H        ILE   6  14.022  -4.588  -9.723
   54    HA   ILE   6           HA       ILE   6  13.125  -6.762 -11.517
   55    HB   ILE   6           HB       ILE   6  12.888  -3.765 -12.034
   56   1HG1  ILE   6          HG12      ILE   6  10.853  -5.994 -11.743
   57   2HG1  ILE   6          HG13      ILE   6  11.046  -4.589 -10.708
   58   1HG2  ILE   6          HG21      ILE   6  12.294  -6.025 -13.987
   59   2HG2  ILE   6          HG22      ILE   6  12.109  -4.285 -14.281
   60   3HG2  ILE   6          HG23      ILE   6  13.711  -4.963 -14.067
   61   1HD1  ILE   6          HD11      ILE   6   9.092  -4.283 -12.031
   62   2HD1  ILE   6          HD12      ILE   6  10.312  -3.125 -12.607
   63   3HD1  ILE   6          HD13      ILE   6   9.950  -4.602 -13.541
   64    H    ILE   7           H        ILE   7  14.734  -7.357 -12.939
   65    HA   ILE   7           HA       ILE   7  17.336  -5.896 -12.771
   66    HB   ILE   7           HB       ILE   7  16.985  -8.829 -13.464
   67   1HG1  ILE   7          HG12      ILE   7  16.297  -8.757 -11.163
   68   2HG1  ILE   7          HG13      ILE   7  17.905  -9.442 -11.267
   69   1HG2  ILE   7          HG21      ILE   7  19.006  -7.847 -14.357
   70   2HG2  ILE   7          HG22      ILE   7  19.431  -7.140 -12.792
   71   3HG2  ILE   7          HG23      ILE   7  19.440  -8.908 -13.014
   72   1HD1  ILE   7          HD11      ILE   7  17.193  -6.635 -10.329
   73   2HD1  ILE   7          HD12      ILE   7  17.803  -7.976  -9.351
   74   3HD1  ILE   7          HD13      ILE   7  18.853  -7.213 -10.558
   75    H    VAL   8           H        VAL   8  18.213  -5.370 -14.801
   76    HA   VAL   8           HA       VAL   8  16.642  -6.099 -17.220
   77    HB   VAL   8           HB       VAL   8  17.546  -3.266 -16.520
   78   1HG1  VAL   8          HG11      VAL   8  16.148  -2.609 -18.438
   79   2HG1  VAL   8          HG12      VAL   8  17.355  -3.790 -18.965
   80   3HG1  VAL   8          HG13      VAL   8  15.673  -4.296 -18.680
   81   1HG2  VAL   8          HG21      VAL   8  15.711  -3.751 -15.005
   82   2HG2  VAL   8          HG22      VAL   8  15.091  -2.751 -16.321
   83   3HG2  VAL   8          HG23      VAL   8  14.761  -4.491 -16.318
   84    H    ASP   9           H        ASP   9  17.930  -6.488 -18.970
   85    HA   ASP   9           HA       ASP   9  20.811  -5.770 -18.895
   86   1HB   ASP   9          HB2       ASP   9  20.590  -8.074 -18.036
   87   2HB   ASP   9          HB3       ASP   9  19.633  -8.519 -19.449
   88    H    GLY  10           H        GLY  10  21.717  -5.671 -21.047
   89   1HA   GLY  10          HA2       GLY  10  21.037  -6.072 -23.525
   90   2HA   GLY  10          HA3       GLY  10  19.697  -4.992 -23.110
   91    H    ARG  11           H        ARG  11  20.489  -3.414 -24.594
   92    HA   ARG  11           HA       ARG  11  23.043  -2.032 -24.035
   93   1HB   ARG  11          HB2       ARG  11  22.168  -2.206 -26.372
   94   2HB   ARG  11          HB3       ARG  11  20.765  -1.242 -25.899
   95   1HG   ARG  11          HG2       ARG  11  22.285   0.637 -25.263
   96   2HG   ARG  11          HG3       ARG  11  23.679  -0.322 -25.771
   97   1HD   ARG  11          HD2       ARG  11  21.360   0.510 -27.570
   98   2HD   ARG  11          HD3       ARG  11  22.907   1.366 -27.450
   99    HE   ARG  11           HE       ARG  11  23.583  -1.265 -28.037
  100   1HH1  ARG  11          HH21      ARG  11  21.744   1.317 -29.635
  101   2HH1  ARG  11          HH22      ARG  11  22.092   0.772 -31.233
  102   1HH2  ARG  11          HH11      ARG  11  24.044  -1.998 -30.168
  103   2HH2  ARG  11          HH12      ARG  11  23.432  -1.154 -31.537
  104    H    VAL  12           H        VAL  12  22.388  -1.937 -21.750
  105    HA   VAL  12           HA       VAL  12  20.826   0.544 -21.203
  106    HB   VAL  12           HB       VAL  12  20.002  -0.567 -19.128
  107   1HG1  VAL  12          HG11      VAL  12  18.182  -1.777 -20.178
  108   2HG1  VAL  12          HG12      VAL  12  18.576  -0.356 -21.145
  109   3HG1  VAL  12          HG13      VAL  12  19.105  -1.966 -21.680
  110   1HG2  VAL  12          HG21      VAL  12  19.985  -2.959 -18.865
  111   2HG2  VAL  12          HG22      VAL  12  20.837  -3.199 -20.396
  112   3HG2  VAL  12          HG23      VAL  12  21.671  -2.449 -19.024
  113    H    GLN  13           H        GLN  13  23.870  -0.776 -21.097
  114    HA   GLN  13           HA       GLN  13  24.626   0.753 -18.631
  115   1HB   GLN  13          HB2       GLN  13  25.595  -1.903 -19.731
  116   2HB   GLN  13          HB3       GLN  13  26.510  -0.994 -18.531
  117   1HG   GLN  13          HG2       GLN  13  23.597  -1.576 -17.957
  118   2HG   GLN  13          HG3       GLN  13  24.770  -2.876 -17.833
  119   1HE2  GLN  13          HE22      GLN  13  25.483  -3.180 -15.812
  120   2HE2  GLN  13          HE21      GLN  13  25.803  -1.947 -14.618
  121    H    GLY  14           H        GLY  14  25.354   0.116 -22.048
  122   1HA   GLY  14          HA2       GLY  14  27.665   1.931 -22.048
  123   2HA   GLY  14          HA3       GLY  14  26.885   1.165 -23.441
  124    H    VAL  15           H        VAL  15  24.530   2.534 -21.404
  125    HA   VAL  15           HA       VAL  15  24.407   5.166 -22.686
  126    HB   VAL  15           HB       VAL  15  22.014   4.730 -23.298
  127   1HG1  VAL  15          HG11      VAL  15  23.803   4.672 -25.024
  128   2HG1  VAL  15          HG12      VAL  15  23.929   2.911 -24.815
  129   3HG1  VAL  15          HG13      VAL  15  22.425   3.633 -25.414
  130   1HG2  VAL  15          HG21      VAL  15  22.693   1.773 -22.908
  131   2HG2  VAL  15          HG22      VAL  15  21.566   2.728 -21.913
  132   3HG2  VAL  15          HG23      VAL  15  21.214   2.429 -23.615
  133    H    GLY  16           H        GLY  16  22.677   6.461 -21.563
  134   1HA   GLY  16          HA2       GLY  16  23.076   6.161 -18.724
  135   2HA   GLY  16          HA3       GLY  16  22.287   7.496 -19.567
  136    H    PHE  17           H        PHE  17  21.381   3.993 -19.551
  137    HA   PHE  17           HA       PHE  17  18.644   4.453 -19.540
  138   1HB   PHE  17          HB2       PHE  17  19.701   2.300 -20.061
  139   2HB   PHE  17          HB3       PHE  17  20.117   2.090 -18.359
  140    HD1  PHE  17           HD2      PHE  17  16.949   3.108 -20.175
  141    HD2  PHE  17           HD1      PHE  17  18.811   0.424 -17.353
  142    HE1  PHE  17           HE2      PHE  17  14.770   2.047 -19.737
  143    HE2  PHE  17           HE1      PHE  17  16.635  -0.693 -16.985
  144    HZ   PHE  17           HZ       PHE  17  14.609   0.087 -18.202
  145    H    ARG  18           H        ARG  18  20.777   4.165 -16.689
  146    HA   ARG  18           HA       ARG  18  18.838   4.044 -14.649
  147   1HB   ARG  18          HB2       ARG  18  21.586   5.353 -14.743
  148   2HB   ARG  18          HB3       ARG  18  20.643   5.244 -13.263
  149   1HG   ARG  18          HG2       ARG  18  20.914   2.995 -13.008
  150   2HG   ARG  18          HG3       ARG  18  20.950   2.653 -14.722
  151   1HD   ARG  18          HD2       ARG  18  23.216   3.711 -12.992
  152   2HD   ARG  18          HD3       ARG  18  23.108   2.119 -13.744
  153    HE   ARG  18           HE       ARG  18  24.194   4.476 -14.869
  154   1HH1  ARG  18          HH21      ARG  18  22.332   1.645 -15.880
  155   2HH1  ARG  18          HH22      ARG  18  22.643   1.837 -17.565
  156   1HH2  ARG  18          HH11      ARG  18  24.736   4.678 -17.083
  157   2HH2  ARG  18          HH12      ARG  18  23.996   3.660 -18.272
  158    H    TYR  19           H        TYR  19  19.879   6.928 -16.528
  159    HA   TYR  19           HA       TYR  19  18.514   8.780 -14.761
  160   1HB   TYR  19          HB2       TYR  19  20.371   9.491 -16.208
  161   2HB   TYR  19          HB3       TYR  19  19.448   9.065 -17.645
  162    HD1  TYR  19           HD1      TYR  19  19.350  11.286 -14.609
  163    HD2  TYR  19           HD2      TYR  19  18.014  10.661 -18.667
  164    HE1  TYR  19           HE1      TYR  19  18.345  13.551 -14.624
  165    HE2  TYR  19           HE2      TYR  19  17.017  12.922 -18.695
  166    HH   TYR  19           HH       TYR  19  16.652  14.892 -17.502
  167    H    PHE  20           H        PHE  20  17.646   7.085 -17.850
  168    HA   PHE  20           HA       PHE  20  15.117   8.353 -18.146
  169   1HB   PHE  20          HB2       PHE  20  16.061   5.598 -19.058
  170   2HB   PHE  20          HB3       PHE  20  14.516   6.304 -19.470
  171    HD1  PHE  20           HD1      PHE  20  14.323   8.260 -20.971
  172    HD2  PHE  20           HD2      PHE  20  18.145   6.467 -20.105
  173    HE1  PHE  20           HE1      PHE  20  15.331   9.467 -22.892
  174    HE2  PHE  20           HE2      PHE  20  19.149   7.669 -22.021
  175    HZ   PHE  20           HZ       PHE  20  17.752   9.188 -23.406
  176    H    VAL  21           H        VAL  21  16.059   5.302 -16.475
  177    HA   VAL  21           HA       VAL  21  13.483   4.659 -15.483
  178    HB   VAL  21           HB       VAL  21  16.262   4.102 -14.362
  179   1HG1  VAL  21          HG11      VAL  21  13.657   2.653 -13.738
  180   2HG1  VAL  21          HG12      VAL  21  15.267   2.263 -13.119
  181   3HG1  VAL  21          HG13      VAL  21  14.497   3.757 -12.617
  182   1HG2  VAL  21          HG21      VAL  21  15.990   1.886 -15.415
  183   2HG2  VAL  21          HG22      VAL  21  14.400   2.359 -16.050
  184   3HG2  VAL  21          HG23      VAL  21  15.867   3.142 -16.643
  185    H    GLN  22           H        GLN  22  16.066   6.775 -14.061
  186    HA   GLN  22           HA       GLN  22  14.775   7.312 -11.638
  187   1HB   GLN  22          HB2       GLN  22  17.162   8.010 -12.397
  188   2HB   GLN  22          HB3       GLN  22  16.431   9.339 -13.233
  189   1HG   GLN  22          HG2       GLN  22  17.095  10.269 -11.197
  190   2HG   GLN  22          HG3       GLN  22  15.356  10.030 -10.979
  191   1HE2  GLN  22          HE22      GLN  22  16.851   7.008 -10.863
  192   2HE2  GLN  22          HE21      GLN  22  16.982   6.843  -9.122
  193    H    MET  23           H        MET  23  14.457   9.013 -14.769
  194    HA   MET  23           HA       MET  23  12.680  11.001 -13.689
  195   1HB   MET  23          HB2       MET  23  13.383  10.202 -16.536
  196   2HB   MET  23          HB3       MET  23  12.447  11.640 -16.098
  197   1HG   MET  23          HG2       MET  23  15.263  11.067 -15.050
  198   2HG   MET  23          HG3       MET  23  14.912  12.030 -16.481
  199   1HE   MET  23          HE1       MET  23  16.035  12.236 -13.043
  200   2HE   MET  23          HE2       MET  23  15.027  13.410 -12.173
  201   3HE   MET  23          HE3       MET  23  14.392  11.792 -12.526
  202    H    GLU  24           H        GLU  24  12.136   7.908 -15.449
  203    HA   GLU  24           HA       GLU  24   9.298   8.304 -15.645
  204   1HB   GLU  24          HB2       GLU  24  11.076   5.842 -15.804
  205   2HB   GLU  24          HB3       GLU  24   9.323   5.759 -15.992
  206   1HG   GLU  24          HG2       GLU  24  11.180   7.427 -17.747
  207   2HG   GLU  24          HG3       GLU  24  10.524   5.847 -18.161
  208    H    ALA  25           H        ALA  25  11.357   7.008 -13.021
  209    HA   ALA  25           HA       ALA  25   9.111   6.108 -11.422
  210   1HB   ALA  25          HB1       ALA  25  10.758   6.119  -9.583
  211   2HB   ALA  25          HB2       ALA  25  11.441   5.337 -11.017
  212   3HB   ALA  25          HB3       ALA  25  11.913   6.994 -10.607
  213    H    ASP  26           H        ASP  26  11.069   9.114 -11.595
  214    HA   ASP  26           HA       ASP  26   9.868  10.448  -9.417
  215   1HB   ASP  26          HB2       ASP  26  11.986  11.179 -10.329
  216   2HB   ASP  26          HB3       ASP  26  11.244  11.541 -11.893
  217    H    LYS  27           H        LYS  27   8.967  10.559 -12.943
  218    HA   LYS  27           HA       LYS  27   6.888  12.440 -12.447
  219   1HB   LYS  27          HB2       LYS  27   6.169  12.121 -14.683
  220   2HB   LYS  27          HB3       LYS  27   7.918  12.100 -14.630
  221   1HG   LYS  27          HG2       LYS  27   7.615  10.382 -16.064
  222   2HG   LYS  27          HG3       LYS  27   7.584   9.457 -14.563
  223   1HD   LYS  27          HD2       LYS  27   5.104   9.479 -14.605
  224   2HD   LYS  27          HD3       LYS  27   5.115  10.447 -16.077
  225   1HE   LYS  27          HE2       LYS  27   6.394   7.685 -15.829
  226   2HE   LYS  27          HE3       LYS  27   4.737   7.948 -16.386
  227   1HZ   LYS  27          HZ1       LYS  27   7.154   9.027 -17.731
  228   2HZ   LYS  27          HZ2       LYS  27   6.362   7.730 -18.198
  229   3HZ   LYS  27          HZ3       LYS  27   5.590   9.189 -18.264
  230    H    ARG  28           H        ARG  28   7.002   9.103 -11.623
  231    HA   ARG  28           HA       ARG  28   4.051   9.083 -11.147
  232   1HB   ARG  28          HB2       ARG  28   6.130   6.846 -11.048
  233   2HB   ARG  28          HB3       ARG  28   4.442   6.651 -10.607
  234   1HG   ARG  28          HG2       ARG  28   5.570   7.203 -13.356
  235   2HG   ARG  28          HG3       ARG  28   4.753   5.752 -12.791
  236   1HD   ARG  28          HD2       ARG  28   3.506   8.482 -13.290
  237   2HD   ARG  28          HD3       ARG  28   3.307   7.019 -14.243
  238    HE   ARG  28           HE       ARG  28   2.317   7.406 -11.431
  239   1HH1  ARG  28          HH21      ARG  28   1.729   6.102 -14.682
  240   2HH1  ARG  28          HH22      ARG  28   0.337   5.199 -14.209
  241   1HH2  ARG  28          HH11      ARG  28   0.292   6.459 -10.897
  242   2HH2  ARG  28          HH12      ARG  28  -0.542   5.477 -12.052
  243    H    LYS  29           H        LYS  29   6.755  10.170  -9.603
  244    HA   LYS  29           HA       LYS  29   7.645  10.156  -7.556
  245   1HB   LYS  29          HB2       LYS  29   4.728  10.595  -6.810
  246   2HB   LYS  29          HB3       LYS  29   6.096  10.952  -5.759
  247   1HG   LYS  29          HG2       LYS  29   5.633  12.259  -8.474
  248   2HG   LYS  29          HG3       LYS  29   5.173  12.953  -6.923
  249   1HD   LYS  29          HD2       LYS  29   7.489  13.097  -6.196
  250   2HD   LYS  29          HD3       LYS  29   8.053  12.242  -7.643
  251   1HE   LYS  29          HE2       LYS  29   7.138  14.041  -9.076
  252   2HE   LYS  29          HE3       LYS  29   6.653  14.943  -7.628
  253   1HZ   LYS  29          HZ1       LYS  29   9.435  14.188  -8.349
  254   2HZ   LYS  29          HZ2       LYS  29   8.789  15.687  -8.486
  255   3HZ   LYS  29          HZ3       LYS  29   9.005  15.036  -7.005
  256    H    LEU  30           H        LEU  30   7.605   7.636  -8.407
  257    HA   LEU  30           HA       LEU  30   6.838   5.844  -6.194
  258   1HB   LEU  30          HB2       LEU  30   8.725   5.562  -8.567
  259   2HB   LEU  30          HB3       LEU  30   8.491   4.299  -7.365
  260    HG   LEU  30           HG       LEU  30   6.272   5.431  -9.127
  261   1HD1  LEU  30          HD11      LEU  30   7.924   4.194 -10.441
  262   2HD1  LEU  30          HD12      LEU  30   7.819   2.819  -9.322
  263   3HD1  LEU  30          HD13      LEU  30   6.415   3.278 -10.310
  264   1HD2  LEU  30          HD21      LEU  30   5.023   3.382  -8.386
  265   2HD2  LEU  30          HD22      LEU  30   6.306   3.063  -7.211
  266   3HD2  LEU  30          HD23      LEU  30   5.309   4.534  -7.080
  267    H    ALA  31           H        ALA  31   8.692   4.710  -4.994
  268    HA   ALA  31           HA       ALA  31  11.015   6.491  -4.526
  269   1HB   ALA  31          HB1       ALA  31   9.302   5.244  -2.329
  270   2HB   ALA  31          HB2       ALA  31  10.800   6.168  -2.098
  271   3HB   ALA  31          HB3       ALA  31   9.361   6.976  -2.737
  272    H    GLY  32           H        GLY  32  12.913   5.299  -3.750
  273   1HA   GLY  32          HA2       GLY  32  13.564   2.778  -3.284
  274   2HA   GLY  32          HA3       GLY  32  12.833   2.560  -4.872
  275    H    TRP  33           H        TRP  33  14.839   1.906  -5.854
  276    HA   TRP  33           HA       TRP  33  16.664   4.135  -6.419
  277   1HB   TRP  33          HB2       TRP  33  18.663   2.822  -6.016
  278   2HB   TRP  33          HB3       TRP  33  17.748   3.066  -4.552
  279    HD1  TRP  33           HD1      TRP  33  17.964   0.153  -7.180
  280    HE1  TRP  33           HE1      TRP  33  18.179  -2.078  -5.906
  281    HE3  TRP  33           HE3      TRP  33  17.770   1.927  -2.369
  282    HZ2  TRP  33           HZ2      TRP  33  18.417  -2.935  -3.208
  283    HZ3  TRP  33           HZ3      TRP  33  18.029   0.368  -0.463
  284    HH2  TRP  33           HH2      TRP  33  18.361  -2.066  -0.860
  285    H    VAL  34           H        VAL  34  18.051   3.783  -8.237
  286    HA   VAL  34           HA       VAL  34  17.763   1.186  -9.594
  287    HB   VAL  34           HB       VAL  34  16.493   2.757 -10.965
  288   1HG1  VAL  34          HG11      VAL  34  19.059   4.356 -11.339
  289   2HG1  VAL  34          HG12      VAL  34  17.490   4.643 -12.120
  290   3HG1  VAL  34          HG13      VAL  34  17.665   4.869 -10.373
  291   1HG2  VAL  34          HG21      VAL  34  17.690   0.932 -12.071
  292   2HG2  VAL  34          HG22      VAL  34  17.627   2.358 -13.119
  293   3HG2  VAL  34          HG23      VAL  34  19.120   1.943 -12.264
  294    H    LYS  35           H        LYS  35  19.787   0.338 -10.238
  295    HA   LYS  35           HA       LYS  35  22.193   1.966  -9.824
  296   1HB   LYS  35          HB2       LYS  35  23.124   0.505  -8.113
  297   2HB   LYS  35          HB3       LYS  35  21.636   1.255  -7.549
  298   1HG   LYS  35          HG2       LYS  35  20.398  -0.853  -7.910
  299   2HG   LYS  35          HG3       LYS  35  21.872  -1.618  -8.537
  300   1HD   LYS  35          HD2       LYS  35  23.014  -1.201  -6.370
  301   2HD   LYS  35          HD3       LYS  35  21.520  -0.475  -5.730
  302   1HE   LYS  35          HE2       LYS  35  20.324  -2.596  -6.060
  303   2HE   LYS  35          HE3       LYS  35  21.756  -3.332  -6.785
  304   1HZ   LYS  35          HZ1       LYS  35  21.552  -2.398  -3.977
  305   2HZ   LYS  35          HZ2       LYS  35  21.518  -3.952  -4.475
  306   3HZ   LYS  35          HZ3       LYS  35  22.882  -3.078  -4.645
  307    H    ASN  36           H        ASN  36  24.147   0.832 -10.349
  308    HA   ASN  36           HA       ASN  36  24.041  -1.339 -12.330
  309   1HB   ASN  36          HB2       ASN  36  25.942   0.199 -12.389
  310   2HB   ASN  36          HB3       ASN  36  26.266  -0.051 -10.669
  311   1HD2  ASN  36          HD22      ASN  36  27.706  -1.721 -10.106
  312   2HD2  ASN  36          HD21      ASN  36  28.194  -2.980 -11.212
  313    H    ARG  37           H        ARG  37  23.885  -3.499 -11.752
  314    HA   ARG  37           HA       ARG  37  23.971  -4.222  -8.869
  315   1HB   ARG  37          HB2       ARG  37  22.064  -4.933 -10.339
  316   2HB   ARG  37          HB3       ARG  37  23.185  -5.879 -11.318
  317   1HG   ARG  37          HG2       ARG  37  23.660  -7.366  -9.467
  318   2HG   ARG  37          HG3       ARG  37  22.807  -6.316  -8.316
  319   1HD   ARG  37          HD2       ARG  37  20.676  -6.816  -9.301
  320   2HD   ARG  37          HD3       ARG  37  21.425  -7.607 -10.692
  321    HE   ARG  37           HE       ARG  37  21.832  -9.509  -9.477
  322   1HH1  ARG  37          HH21      ARG  37  20.425  -7.051  -7.245
  323   2HH1  ARG  37          HH22      ARG  37  20.200  -8.208  -5.985
  324   1HH2  ARG  37          HH11      ARG  37  21.463 -10.980  -7.783
  325   2HH2  ARG  37          HH12      ARG  37  20.760 -10.465  -6.300
  326    H    ASP  38           H        ASP  38  25.415  -5.987  -8.208
  327    HA   ASP  38           HA       ASP  38  28.048  -5.613  -9.008
  328   1HB   ASP  38          HB2       ASP  38  27.396  -6.534  -6.845
  329   2HB   ASP  38          HB3       ASP  38  26.777  -7.997  -7.618
  330    H    ASP  39           H        ASP  39  25.737  -8.018 -10.254
  331    HA   ASP  39           HA       ASP  39  27.597  -9.613 -11.730
  332   1HB   ASP  39          HB2       ASP  39  25.305 -10.320 -11.130
  333   2HB   ASP  39          HB3       ASP  39  24.638  -9.088 -12.204
  334    H    GLY  40           H        GLY  40  26.485  -6.390 -12.309
  335   1HA   GLY  40          HA2       GLY  40  27.305  -4.993 -13.980
  336   2HA   GLY  40          HA3       GLY  40  27.597  -6.368 -15.053
  337    H    ARG  41           H        ARG  41  24.504  -6.739 -13.668
  338    HA   ARG  41           HA       ARG  41  23.149  -5.681 -16.079
  339   1HB   ARG  41          HB2       ARG  41  21.951  -6.979 -13.587
  340   2HB   ARG  41          HB3       ARG  41  21.115  -6.586 -15.073
  341   1HG   ARG  41          HG2       ARG  41  22.859  -8.912 -14.466
  342   2HG   ARG  41          HG3       ARG  41  21.328  -8.810 -15.311
  343   1HD   ARG  41          HD2       ARG  41  22.605  -9.315 -17.105
  344   2HD   ARG  41          HD3       ARG  41  22.819  -7.560 -17.159
  345    HE   ARG  41           HE       ARG  41  24.724  -9.224 -15.592
  346   1HH1  ARG  41          HH21      ARG  41  24.185  -7.629 -18.763
  347   2HH1  ARG  41          HH22      ARG  41  25.876  -7.438 -19.068
  348   1HH2  ARG  41          HH11      ARG  41  26.929  -8.804 -15.954
  349   2HH2  ARG  41          HH12      ARG  41  27.469  -8.223 -17.496
  350    H    VAL  42           H        VAL  42  20.984  -4.464 -15.393
  351    HA   VAL  42           HA       VAL  42  21.707  -2.321 -13.436
  352    HB   VAL  42           HB       VAL  42  19.538  -2.318 -15.582
  353   1HG1  VAL  42          HG11      VAL  42  20.510  -0.129 -13.679
  354   2HG1  VAL  42          HG12      VAL  42  19.353   0.109 -15.009
  355   3HG1  VAL  42          HG13      VAL  42  18.920  -0.920 -13.647
  356   1HG2  VAL  42          HG21      VAL  42  20.951  -0.572 -16.682
  357   2HG2  VAL  42          HG22      VAL  42  22.229  -0.883 -15.481
  358   3HG2  VAL  42          HG23      VAL  42  21.742  -2.145 -16.632
  359    H    GLU  43           H        GLU  43  20.294  -2.084 -11.679
  360    HA   GLU  43           HA       GLU  43  18.077  -4.058 -11.406
  361   1HB   GLU  43          HB2       GLU  43  19.842  -4.796  -9.942
  362   2HB   GLU  43          HB3       GLU  43  20.113  -3.153  -9.332
  363   1HG   GLU  43          HG2       GLU  43  17.771  -3.178  -8.387
  364   2HG   GLU  43          HG3       GLU  43  17.620  -4.860  -8.902
  365    H    ILE  44           H        ILE  44  16.205  -3.116 -10.884
  366    HA   ILE  44           HA       ILE  44  16.101  -0.284  -9.979
  367    HB   ILE  44           HB       ILE  44  14.015  -1.903 -11.487
  368   1HG1  ILE  44          HG12      ILE  44  15.735   0.180 -12.879
  369   2HG1  ILE  44          HG13      ILE  44  16.166  -1.517 -12.925
  370   1HG2  ILE  44          HG21      ILE  44  13.206   0.065 -10.183
  371   2HG2  ILE  44          HG22      ILE  44  14.298   1.103 -11.124
  372   3HG2  ILE  44          HG23      ILE  44  12.945   0.269 -11.911
  373   1HD1  ILE  44          HD11      ILE  44  14.927  -0.954 -14.889
  374   2HD1  ILE  44          HD12      ILE  44  14.062  -2.140 -13.876
  375   3HD1  ILE  44          HD13      ILE  44  13.538  -0.432 -13.924
  376    H    LEU  45           H        LEU  45  14.816  -0.057  -8.059
  377    HA   LEU  45           HA       LEU  45  13.173  -2.344  -7.183
  378   1HB   LEU  45          HB2       LEU  45  15.524  -2.482  -6.155
  379   2HB   LEU  45          HB3       LEU  45  15.154  -0.986  -5.303
  380    HG   LEU  45           HG       LEU  45  13.605  -3.614  -5.077
  381   1HD1  LEU  45          HD11      LEU  45  15.916  -3.669  -4.149
  382   2HD1  LEU  45          HD12      LEU  45  15.501  -2.302  -3.096
  383   3HD1  LEU  45          HD13      LEU  45  14.668  -3.860  -2.907
  384   1HD2  LEU  45          HD21      LEU  45  13.272  -0.944  -3.663
  385   2HD2  LEU  45          HD22      LEU  45  12.032  -1.942  -4.462
  386   3HD2  LEU  45          HD23      LEU  45  12.721  -2.473  -2.942
  387    H    ALA  46           H        ALA  46  11.191  -1.445  -6.673
  388    HA   ALA  46           HA       ALA  46  11.101   1.405  -5.886
  389   1HB   ALA  46          HB1       ALA  46   9.503   0.235  -8.209
  390   2HB   ALA  46          HB2       ALA  46   9.378   1.885  -7.565
  391   3HB   ALA  46          HB3       ALA  46  10.869   1.361  -8.373
  392    H    GLU  47           H        GLU  47   9.327   1.924  -4.666
  393    HA   GLU  47           HA       GLU  47   7.250  -0.138  -4.197
  394   1HB   GLU  47          HB2       GLU  47   7.155   0.409  -1.890
  395   2HB   GLU  47          HB3       GLU  47   8.868   0.167  -2.246
  396   1HG   GLU  47          HG2       GLU  47   9.010   2.726  -2.547
  397   2HG   GLU  47          HG3       GLU  47   7.381   2.811  -1.873
  398    H    GLY  48           H        GLY  48   5.119   0.722  -3.857
  399   1HA   GLY  48          HA2       GLY  48   4.292   3.320  -3.616
  400   2HA   GLY  48          HA3       GLY  48   4.621   3.177  -5.345
  401    HA   PRO  49           HA       PRO  49   0.191   1.804  -4.704
  402   1HB   PRO  49          HB2       PRO  49   0.056   3.560  -7.154
  403   2HB   PRO  49          HB3       PRO  49  -1.134   3.384  -5.829
  404   1HG   PRO  49          HG2       PRO  49   0.492   5.556  -5.951
  405   2HG   PRO  49          HG3       PRO  49   0.169   4.755  -4.377
  406   1HD   PRO  49          HD2       PRO  49   2.588   4.454  -6.175
  407   2HD   PRO  49          HD3       PRO  49   2.513   4.662  -4.399
  408    H    GLU  50           H        GLU  50  -0.808   0.209  -6.035
  409    HA   GLU  50           HA       GLU  50   0.890  -1.394  -7.609
  410   1HB   GLU  50          HB2       GLU  50  -1.117  -2.182  -6.408
  411   2HB   GLU  50          HB3       GLU  50  -2.155  -1.285  -7.525
  412   1HG   GLU  50          HG2       GLU  50  -1.321  -2.678  -9.410
  413   2HG   GLU  50          HG3       GLU  50  -0.263  -3.552  -8.299
  414    H    ASN  51           H        ASN  51  -1.604   1.011  -8.667
  415    HA   ASN  51           HA       ASN  51  -1.317   0.498 -11.455
  416   1HB   ASN  51          HB2       ASN  51  -3.214   1.788 -10.628
  417   2HB   ASN  51          HB3       ASN  51  -2.144   3.041  -9.985
  418   1HD2  ASN  51          HD22      ASN  51  -3.303   1.545 -13.054
  419   2HD2  ASN  51          HD21      ASN  51  -2.875   2.907 -14.053
  420    H    ALA  52           H        ALA  52   0.449   2.752  -9.305
  421    HA   ALA  52           HA       ALA  52   1.916   4.051 -11.405
  422   1HB   ALA  52          HB1       ALA  52   2.573   3.712  -8.439
  423   2HB   ALA  52          HB2       ALA  52   3.350   4.854  -9.551
  424   3HB   ALA  52          HB3       ALA  52   1.633   5.045  -9.148
  425    H    LEU  53           H        LEU  53   2.648   1.289  -9.237
  426    HA   LEU  53           HA       LEU  53   5.257   0.784 -10.258
  427   1HB   LEU  53          HB2       LEU  53   3.159  -0.888  -8.829
  428   2HB   LEU  53          HB3       LEU  53   4.690  -1.582  -9.307
  429    HG   LEU  53           HG       LEU  53   4.455   0.858  -7.499
  430   1HD1  LEU  53          HD11      LEU  53   5.012  -0.713  -5.685
  431   2HD1  LEU  53          HD12      LEU  53   3.469  -1.113  -6.442
  432   3HD1  LEU  53          HD13      LEU  53   4.920  -2.080  -6.815
  433   1HD2  LEU  53          HD21      LEU  53   6.663   0.713  -8.643
  434   2HD2  LEU  53          HD22      LEU  53   6.799   0.385  -6.919
  435   3HD2  LEU  53          HD23      LEU  53   6.843  -0.958  -8.073
  436    H    GLN  54           H        GLN  54   2.054  -0.638 -11.220
  437    HA   GLN  54           HA       GLN  54   3.131  -2.361 -13.211
  438   1HB   GLN  54          HB2       GLN  54   0.419  -1.024 -12.881
  439   2HB   GLN  54          HB3       GLN  54   0.770  -2.152 -14.198
  440   1HG   GLN  54          HG2       GLN  54   1.303  -3.936 -12.638
  441   2HG   GLN  54          HG3       GLN  54   1.098  -2.877 -11.252
  442   1HE2  GLN  54          HE22      GLN  54  -0.327  -5.251 -11.353
  443   2HE2  GLN  54          HE21      GLN  54  -2.018  -4.921 -11.625
  444    H    SER  55           H        SER  55   1.939   1.035 -13.471
  445    HA   SER  55           HA       SER  55   2.402   1.341 -16.255
  446   1HB   SER  55          HB2       SER  55   2.665   3.452 -14.072
  447   2HB   SER  55          HB3       SER  55   2.387   3.734 -15.797
  448    HG   SER  55           HG       SER  55   0.647   2.517 -13.898
  449    H    PHE  56           H        PHE  56   4.615   1.676 -13.442
  450    HA   PHE  56           HA       PHE  56   6.783   2.642 -15.013
  451   1HB   PHE  56          HB2       PHE  56   6.471   3.086 -12.642
  452   2HB   PHE  56          HB3       PHE  56   6.704   1.393 -12.256
  453    HD1  PHE  56           HD1      PHE  56   8.539   3.969 -14.347
  454    HD2  PHE  56           HD2      PHE  56   8.726   1.130 -11.103
  455    HE1  PHE  56           HE1      PHE  56  10.957   4.468 -14.011
  456    HE2  PHE  56           HE2      PHE  56  11.110   1.666 -10.759
  457    HZ   PHE  56           HZ       PHE  56  12.215   3.357 -12.191
  458    H    VAL  57           H        VAL  57   5.724  -0.737 -14.180
  459    HA   VAL  57           HA       VAL  57   8.052  -1.937 -15.381
  460    HB   VAL  57           HB       VAL  57   5.249  -3.130 -15.461
  461   1HG1  VAL  57          HG11      VAL  57   6.918  -4.259 -16.908
  462   2HG1  VAL  57          HG12      VAL  57   8.035  -4.389 -15.534
  463   3HG1  VAL  57          HG13      VAL  57   6.494  -5.277 -15.533
  464   1HG2  VAL  57          HG21      VAL  57   5.659  -2.721 -13.141
  465   2HG2  VAL  57          HG22      VAL  57   5.993  -4.420 -13.415
  466   3HG2  VAL  57          HG23      VAL  57   7.346  -3.274 -13.267
  467    H    GLU  58           H        GLU  58   4.883  -0.830 -16.750
  468    HA   GLU  58           HA       GLU  58   5.432  -1.660 -19.388
  469   1HB   GLU  58          HB2       GLU  58   3.658   0.584 -18.364
  470   2HB   GLU  58          HB3       GLU  58   3.753   0.099 -20.059
  471   1HG   GLU  58          HG2       GLU  58   3.103  -2.219 -19.434
  472   2HG   GLU  58          HG3       GLU  58   2.927  -1.718 -17.756
  473    H    ALA  59           H        ALA  59   6.370   1.357 -17.708
  474    HA   ALA  59           HA       ALA  59   7.598   2.585 -19.956
  475   1HB   ALA  59          HB1       ALA  59   8.789   3.950 -18.301
  476   2HB   ALA  59          HB2       ALA  59   7.071   3.806 -17.878
  477   3HB   ALA  59          HB3       ALA  59   8.295   2.861 -16.997
  478    H    VAL  60           H        VAL  60   9.022   0.549 -17.314
  479    HA   VAL  60           HA       VAL  60  11.669   0.652 -18.254
  480    HB   VAL  60           HB       VAL  60  10.130  -1.236 -16.445
  481   1HG1  VAL  60          HG11      VAL  60  12.260  -2.155 -15.626
  482   2HG1  VAL  60          HG12      VAL  60  11.976  -2.605 -17.304
  483   3HG1  VAL  60          HG13      VAL  60  13.136  -1.314 -16.927
  484   1HG2  VAL  60          HG21      VAL  60  10.611   1.161 -15.720
  485   2HG2  VAL  60          HG22      VAL  60  11.307  -0.069 -14.669
  486   3HG2  VAL  60          HG23      VAL  60  12.334   0.794 -15.838
  487    H    LYS  61           H        LYS  61   9.096  -1.793 -19.010
  488    HA   LYS  61           HA       LYS  61  10.913  -3.463 -20.435
  489   1HB   LYS  61          HB2       LYS  61   9.076  -4.747 -21.123
  490   2HB   LYS  61          HB3       LYS  61   8.737  -4.204 -19.482
  491   1HG   LYS  61          HG2       LYS  61   7.220  -2.447 -20.408
  492   2HG   LYS  61          HG3       LYS  61   7.556  -3.032 -22.048
  493   1HD   LYS  61          HD2       LYS  61   6.694  -5.296 -21.354
  494   2HD   LYS  61          HD3       LYS  61   6.215  -4.589 -19.796
  495   1HE   LYS  61          HE2       LYS  61   4.750  -2.968 -21.002
  496   2HE   LYS  61          HE3       LYS  61   5.256  -3.658 -22.546
  497   1HZ   LYS  61          HZ1       LYS  61   3.771  -5.133 -20.444
  498   2HZ   LYS  61          HZ2       LYS  61   3.137  -4.560 -21.831
  499   3HZ   LYS  61          HZ3       LYS  61   4.240  -5.754 -21.881
  500    H    ASN  62           H        ASN  62   9.654  -0.396 -21.419
  501    HA   ASN  62           HA       ASN  62   9.744  -0.815 -24.283
  502   1HB   ASN  62          HB2       ASN  62   8.712   1.217 -23.218
  503   2HB   ASN  62          HB3       ASN  62  10.322   1.716 -22.671
  504   1HD2  ASN  62          HD22      ASN  62   8.510   0.929 -25.710
  505   2HD2  ASN  62          HD21      ASN  62   9.427   2.035 -26.694
  506    H    GLY  63           H        GLY  63  12.173  -0.427 -21.750
  507   1HA   GLY  63          HA2       GLY  63  14.515  -0.162 -21.915
  508   2HA   GLY  63          HA3       GLY  63  14.389  -0.020 -23.689
  509    H    SER  64           H        SER  64  14.805   2.106 -24.258
  510    HA   SER  64           HA       SER  64  13.018   4.168 -23.301
  511   1HB   SER  64          HB2       SER  64  16.032   4.401 -22.806
  512   2HB   SER  64          HB3       SER  64  14.884   5.736 -22.655
  513    HG   SER  64           HG       SER  64  14.030   3.562 -21.299
  514    HA   PRO  65           HA       PRO  65  13.745   5.767 -27.432
  515   1HB   PRO  65          HB2       PRO  65  14.703   8.295 -26.062
  516   2HB   PRO  65          HB3       PRO  65  13.673   8.135 -27.522
  517   1HG   PRO  65          HG2       PRO  65  12.522   8.594 -25.119
  518   2HG   PRO  65          HG3       PRO  65  11.820   7.354 -26.210
  519   1HD   PRO  65          HD2       PRO  65  13.572   6.961 -23.790
  520   2HD   PRO  65          HD3       PRO  65  12.160   5.998 -24.328
  521    H    PHE  66           H        PHE  66  16.392   5.896 -25.088
  522    HA   PHE  66           HA       PHE  66  18.322   5.364 -27.271
  523   1HB   PHE  66          HB2       PHE  66  18.746   7.275 -24.941
  524   2HB   PHE  66          HB3       PHE  66  19.991   6.761 -26.067
  525    HD1  PHE  66           HD1      PHE  66  19.991   7.485 -28.436
  526    HD2  PHE  66           HD2      PHE  66  17.077   8.967 -25.619
  527    HE1  PHE  66           HE1      PHE  66  19.422   9.336 -29.989
  528    HE2  PHE  66           HE2      PHE  66  16.514  10.814 -27.174
  529    HZ   PHE  66           HZ       PHE  66  17.683  11.003 -29.363
  530    H    SER  67           H        SER  67  16.884   3.432 -25.514
  531    HA   SER  67           HA       SER  67  19.291   2.014 -24.700
  532   1HB   SER  67          HB2       SER  67  17.116   2.367 -22.597
  533   2HB   SER  67          HB3       SER  67  18.670   1.540 -22.429
  534    HG   SER  67           HG       SER  67  19.286   3.939 -23.184
  535    H    LYS  68           H        LYS  68  18.898  -0.298 -24.526
  536    HA   LYS  68           HA       LYS  68  16.192  -1.183 -25.439
  537   1HB   LYS  68          HB2       LYS  68  17.550  -0.961 -27.459
  538   2HB   LYS  68          HB3       LYS  68  18.832  -1.941 -26.735
  539   1HG   LYS  68          HG2       LYS  68  17.273  -3.879 -26.596
  540   2HG   LYS  68          HG3       LYS  68  15.988  -2.893 -27.292
  541   1HD   LYS  68          HD2       LYS  68  16.961  -4.417 -28.921
  542   2HD   LYS  68          HD3       LYS  68  17.231  -2.729 -29.403
  543   1HE   LYS  68          HE2       LYS  68  19.564  -2.865 -28.569
  544   2HE   LYS  68          HE3       LYS  68  19.281  -4.519 -28.009
  545   1HZ   LYS  68          HZ1       LYS  68  18.926  -5.168 -30.325
  546   2HZ   LYS  68          HZ2       LYS  68  19.185  -3.639 -30.840
  547   3HZ   LYS  68          HZ3       LYS  68  20.395  -4.487 -30.152
  548    H    VAL  69           H        VAL  69  15.598  -2.236 -23.639
  549    HA   VAL  69           HA       VAL  69  17.249  -4.135 -22.201
  550    HB   VAL  69           HB       VAL  69  15.327  -3.190 -21.124
  551   1HG1  VAL  69          HG11      VAL  69  13.485  -4.429 -23.210
  552   2HG1  VAL  69          HG12      VAL  69  13.021  -3.501 -21.772
  553   3HG1  VAL  69          HG13      VAL  69  13.861  -2.704 -23.099
  554   1HG2  VAL  69          HG21      VAL  69  14.183  -5.163 -20.330
  555   2HG2  VAL  69          HG22      VAL  69  14.642  -6.094 -21.766
  556   3HG2  VAL  69          HG23      VAL  69  15.887  -5.563 -20.618
  557    H    THR  70           H        THR  70  17.678  -6.245 -22.801
  558    HA   THR  70           HA       THR  70  16.079  -7.433 -25.015
  559    HB   THR  70           HB       THR  70  18.106  -8.674 -25.648
  560    HG1  THR  70           HG1      THR  70  20.012  -8.282 -24.681
  561   1HG2  THR  70          HG21      THR  70  18.654  -5.670 -25.554
  562   2HG2  THR  70          HG22      THR  70  19.315  -6.842 -26.717
  563   3HG2  THR  70          HG23      THR  70  17.585  -6.454 -26.741
  564    H    ASP  71           H        ASP  71  17.054  -7.650 -21.668
  565    HA   ASP  71           HA       ASP  71  15.319  -9.994 -21.409
  566   1HB   ASP  71          HB2       ASP  71  17.505 -11.075 -21.644
  567   2HB   ASP  71          HB3       ASP  71  18.209  -9.988 -20.446
  568    H    ILE  72           H        ILE  72  14.328 -10.036 -19.364
  569    HA   ILE  72           HA       ILE  72  15.016  -7.998 -17.377
  570    HB   ILE  72           HB       ILE  72  13.547  -6.821 -18.898
  571   1HG1  ILE  72          HG12      ILE  72  11.956  -7.544 -16.410
  572   2HG1  ILE  72          HG13      ILE  72  13.348  -6.459 -16.441
  573   1HG2  ILE  72          HG21      ILE  72  11.273  -7.493 -19.456
  574   2HG2  ILE  72          HG22      ILE  72  12.384  -8.749 -19.967
  575   3HG2  ILE  72          HG23      ILE  72  11.430  -8.971 -18.486
  576   1HD1  ILE  72          HD11      ILE  72  11.345  -5.125 -16.475
  577   2HD1  ILE  72          HD12      ILE  72  12.132  -4.981 -18.060
  578   3HD1  ILE  72          HD13      ILE  72  10.691  -6.009 -17.856
  579    H    SER  73           H        SER  73  14.259  -8.555 -15.293
  580    HA   SER  73           HA       SER  73  12.735 -11.077 -14.917
  581   1HB   SER  73          HB2       SER  73  15.380 -10.408 -13.533
  582   2HB   SER  73          HB3       SER  73  14.345 -11.802 -13.192
  583    HG   SER  73           HG       SER  73  15.741 -11.237 -15.609
  584    H    VAL  74           H        VAL  74  11.626 -11.076 -12.822
  585    HA   VAL  74           HA       VAL  74  11.551  -8.471 -11.392
  586    HB   VAL  74           HB       VAL  74   9.149  -9.973 -12.532
  587   1HG1  VAL  74          HG11      VAL  74   8.477  -8.855 -10.501
  588   2HG1  VAL  74          HG12      VAL  74   9.298  -7.359 -10.968
  589   3HG1  VAL  74          HG13      VAL  74   7.866  -7.916 -11.856
  590   1HG2  VAL  74          HG21      VAL  74  10.405  -7.378 -13.498
  591   2HG2  VAL  74          HG22      VAL  74  10.257  -8.905 -14.392
  592   3HG2  VAL  74          HG23      VAL  74   8.811  -7.982 -13.998
  593    H    THR  75           H        THR  75  11.018  -8.662  -9.219
  594    HA   THR  75           HA       THR  75   9.656 -11.104  -8.275
  595    HB   THR  75           HB       THR  75  11.793  -9.728  -6.587
  596    HG1  THR  75           HG1      THR  75  12.814 -10.693  -8.382
  597   1HG2  THR  75          HG21      THR  75  11.694 -11.814  -5.277
  598   2HG2  THR  75          HG22      THR  75  10.117 -11.018  -5.362
  599   3HG2  THR  75          HG23      THR  75  10.437 -12.449  -6.367
  600    H    GLU  76           H        GLU  76   7.801 -10.381  -7.155
  601    HA   GLU  76           HA       GLU  76   7.754  -7.528  -6.316
  602   1HB   GLU  76          HB2       GLU  76   5.444  -7.456  -6.633
  603   2HB   GLU  76          HB3       GLU  76   6.143  -8.158  -8.079
  604   1HG   GLU  76          HG2       GLU  76   4.600  -9.753  -7.939
  605   2HG   GLU  76          HG3       GLU  76   5.509 -10.441  -6.608
  606    H    SER  77           H        SER  77   6.925  -7.048  -4.256
  607    HA   SER  77           HA       SER  77   7.132  -9.240  -2.262
  608   1HB   SER  77          HB2       SER  77   8.738  -6.742  -1.881
  609   2HB   SER  77          HB3       SER  77   9.053  -8.386  -1.317
  610    HG   SER  77           HG       SER  77   9.930  -7.051  -3.471
  611    H    ARG  78           H        ARG  78   5.938  -8.801  -0.418
  612    HA   ARG  78           HA       ARG  78   4.321  -6.299  -0.358
  613   1HB   ARG  78          HB2       ARG  78   4.129  -8.929   1.159
  614   2HB   ARG  78          HB3       ARG  78   3.180  -7.495   1.541
  615   1HG   ARG  78          HG2       ARG  78   1.795  -8.939   0.246
  616   2HG   ARG  78          HG3       ARG  78   2.155  -7.485  -0.677
  617   1HD   ARG  78          HD2       ARG  78   2.134  -9.524  -2.071
  618   2HD   ARG  78          HD3       ARG  78   3.679  -8.686  -2.116
  619    HE   ARG  78           HE       ARG  78   3.367 -10.905  -0.175
  620   1HH1  ARG  78          HH21      ARG  78   4.522 -10.014  -3.430
  621   2HH1  ARG  78          HH22      ARG  78   5.850 -11.112  -3.413
  622   1HH2  ARG  78          HH11      ARG  78   4.996 -12.538  -0.249
  623   2HH2  ARG  78          HH12      ARG  78   5.989 -12.716  -1.643
  624    H    SER  79           H        SER  79   6.767  -5.667  -0.133
  625    HA   SER  79           HA       SER  79   7.644  -5.526   2.715
  626   1HB   SER  79          HB2       SER  79   9.395  -6.460   0.409
  627   2HB   SER  79          HB3       SER  79   9.766  -6.472   2.139
  628    HG   SER  79           HG       SER  79   9.163  -8.535   1.472
  629    H    LEU  80           H        LEU  80   7.080  -3.291   2.605
  630    HA   LEU  80           HA       LEU  80   8.002  -1.497   0.566
  631   1HB   LEU  80          HB2       LEU  80   6.876  -1.200   3.362
  632   2HB   LEU  80          HB3       LEU  80   7.641   0.177   2.591
  633    HG   LEU  80           HG       LEU  80   6.108   0.045   0.666
  634   1HD1  LEU  80          HD11      LEU  80   4.750  -2.213   2.201
  635   2HD1  LEU  80          HD12      LEU  80   4.055  -1.361   0.808
  636   3HD1  LEU  80          HD13      LEU  80   5.516  -2.319   0.596
  637   1HD2  LEU  80          HD21      LEU  80   4.693   0.120   3.366
  638   2HD2  LEU  80          HD22      LEU  80   5.585   1.462   2.618
  639   3HD2  LEU  80          HD23      LEU  80   4.112   0.852   1.854
  640    H    GLU  81           H        GLU  81   9.681  -0.026   0.596
  641    HA   GLU  81           HA       GLU  81  12.127  -0.776   2.104
  642   1HB   GLU  81          HB2       GLU  81  11.694   1.292  -0.103
  643   2HB   GLU  81          HB3       GLU  81  13.232   0.841   0.626
  644   1HG   GLU  81          HG2       GLU  81  11.478  -0.886  -1.138
  645   2HG   GLU  81          HG3       GLU  81  13.021  -0.154  -1.541
  646    H    GLY  82           H        GLY  82   9.577   1.680   1.893
  647   1HA   GLY  82          HA2       GLY  82   9.028   3.397   3.293
  648   2HA   GLY  82          HA3       GLY  82  10.227   2.828   4.467
  649    H    HIS  83           H        HIS  83  10.928   3.711   1.073
  650    HA   HIS  83           HA       HIS  83  12.891   5.766   1.874
  651   1HB   HIS  83          HB2       HIS  83  11.967   4.550  -0.764
  652   2HB   HIS  83          HB3       HIS  83  12.977   5.981  -0.700
  653    HD1  HIS  83           HD1      HIS  83  13.766   3.149   1.772
  654    HD2  HIS  83           HD2      HIS  83  14.999   4.771  -1.915
  655    HE1  HIS  83           HE1      HIS  83  16.014   2.083   1.234
  656    H    HIS  84           H        HIS  84  12.685   7.914   0.743
  657    HA   HIS  84           HA       HIS  84   9.853   8.854   0.572
  658   1HB   HIS  84          HB2       HIS  84  12.238  10.295   1.791
  659   2HB   HIS  84          HB3       HIS  84  10.597  10.926   1.658
  660    HD1  HIS  84           HD1      HIS  84  12.704   8.848   3.976
  661    HD2  HIS  84           HD2      HIS  84   8.636   9.516   3.106
  662    HE1  HIS  84           HE1      HIS  84  11.389   7.918   5.945
  663    H    ARG  85           H        ARG  85  12.531   8.312  -1.315
  664    HA   ARG  85           HA       ARG  85  11.493  10.037  -3.396
  665   1HB   ARG  85          HB2       ARG  85  13.712  10.940  -4.005
  666   2HB   ARG  85          HB3       ARG  85  13.149  11.578  -2.469
  667   1HG   ARG  85          HG2       ARG  85  14.681  10.265  -1.198
  668   2HG   ARG  85          HG3       ARG  85  15.059   9.200  -2.556
  669   1HD   ARG  85          HD2       ARG  85  15.731  12.162  -2.476
  670   2HD   ARG  85          HD3       ARG  85  16.853  10.856  -2.036
  671    HE   ARG  85           HE       ARG  85  16.065  10.038  -4.473
  672   1HH1  ARG  85          HH11      ARG  85  17.481  13.124  -3.444
  673   2HH1  ARG  85          HH12      ARG  85  18.013  13.553  -5.027
  674   1HH2  ARG  85          HH21      ARG  85  16.576  10.641  -6.531
  675   2HH2  ARG  85          HH22      ARG  85  17.544  12.051  -6.853
  676    H    PHE  86           H        PHE  86  12.700   9.425  -5.492
  677    HA   PHE  86           HA       PHE  86  13.582   6.590  -5.444
  678   1HB   PHE  86          HB2       PHE  86  11.817   7.520  -7.160
  679   2HB   PHE  86          HB3       PHE  86  13.190   8.299  -7.910
  680    HD1  PHE  86           HD1      PHE  86  11.981   4.941  -6.680
  681    HD2  PHE  86           HD2      PHE  86  14.391   7.085  -9.495
  682    HE1  PHE  86           HE1      PHE  86  12.587   2.802  -7.776
  683    HE2  PHE  86           HE2      PHE  86  15.009   4.941 -10.615
  684    HZ   PHE  86           HZ       PHE  86  14.102   2.798  -9.737
  685    H    SER  87           H        SER  87  15.792   6.186  -6.086
  686    HA   SER  87           HA       SER  87  17.541   8.602  -6.370
  687   1HB   SER  87          HB2       SER  87  17.920   6.192  -4.554
  688   2HB   SER  87          HB3       SER  87  19.035   7.563  -4.725
  689    HG   SER  87           HG       SER  87  17.612   7.770  -2.924
  690    H    ILE  88           H        ILE  88  19.714   8.159  -7.173
  691    HA   ILE  88           HA       ILE  88  19.955   5.688  -8.825
  692    HB   ILE  88           HB       ILE  88  21.629   8.213  -9.156
  693   1HG1  ILE  88          HG12      ILE  88  19.234   7.378 -10.837
  694   2HG1  ILE  88          HG13      ILE  88  19.311   8.791  -9.761
  695   1HG2  ILE  88          HG21      ILE  88  22.582   6.012  -9.937
  696   2HG2  ILE  88          HG22      ILE  88  21.160   5.815 -10.991
  697   3HG2  ILE  88          HG23      ILE  88  22.315   7.136 -11.262
  698   1HD1  ILE  88          HD11      ILE  88  21.138   9.722 -11.209
  699   2HD1  ILE  88          HD12      ILE  88  20.819   8.401 -12.364
  700   3HD1  ILE  88          HD13      ILE  88  19.553   9.572 -11.994
  701    H    VAL  89           H        VAL  89  21.592   4.312  -8.101
  702    HA   VAL  89           HA       VAL  89  23.388   5.282  -5.926
  703    HB   VAL  89           HB       VAL  89  21.746   2.710  -5.931
  704   1HG1  VAL  89          HG11      VAL  89  23.886   2.362  -4.787
  705   2HG1  VAL  89          HG12      VAL  89  23.638   3.843  -3.826
  706   3HG1  VAL  89          HG13      VAL  89  22.579   2.435  -3.610
  707   1HG2  VAL  89          HG21      VAL  89  20.274   4.592  -5.426
  708   2HG2  VAL  89          HG22      VAL  89  20.587   3.671  -3.959
  709   3HG2  VAL  89          HG23      VAL  89  21.431   5.212  -4.226
  710    H    TYR  90           H        TYR  90  25.421   4.334  -5.931
  711    HA   TYR  90           HA       TYR  90  26.123   2.316  -7.970
  712   1HB   TYR  90          HB2       TYR  90  27.903   3.825  -8.862
  713   2HB   TYR  90          HB3       TYR  90  26.272   4.364  -9.190
  714    HD1  TYR  90           HD1      TYR  90  29.309   5.043  -7.136
  715    HD2  TYR  90           HD2      TYR  90  25.404   6.452  -8.325
  716    HE1  TYR  90           HE1      TYR  90  29.803   7.254  -6.135
  717    HE2  TYR  90           HE2      TYR  90  25.886   8.661  -7.331
  718    HH   TYR  90           HH       TYR  90  27.444   9.971  -6.189
  719    H    SER  91           H        SER  91  26.226   3.081  -4.835
  720    HA   SER  91           HA       SER  91  28.857   3.071  -3.947
  721   1HB   SER  91          HB2       SER  91  26.503   1.705  -2.589
  722   2HB   SER  91          HB3       SER  91  27.917   2.449  -1.827
  723    HG   SER  91           HG       SER  91  26.089   3.848  -1.758
  Start of MODEL   14
    1   1H    MET   1          H1        MET   1   0.776  -0.475   0.885
    2   2H    MET   1          H2        MET   1  -0.219   0.598   0.132
    3   3H    MET   1          H3        MET   1  -0.335  -1.007  -0.182
    4    HA   MET   1           HA       MET   1   0.754   0.090  -2.000
    5   1HB   MET   1          HB2       MET   1   2.713   0.961   0.170
    6   2HB   MET   1          HB3       MET   1   3.144   0.913  -1.537
    7   1HG   MET   1          HG2       MET   1   1.154   2.377  -2.040
    8   2HG   MET   1          HG3       MET   1   0.947   2.593  -0.297
    9   1HE   MET   1          HE1       MET   1   1.048   5.218  -0.517
   10   2HE   MET   1          HE2       MET   1   2.291   6.071  -1.458
   11   3HE   MET   1          HE3       MET   1   1.145   4.988  -2.278
   12    H    LEU   2           H        LEU   2   2.967  -0.734  -2.949
   13    HA   LEU   2           HA       LEU   2   3.454  -3.543  -2.110
   14   1HB   LEU   2          HB2       LEU   2   1.621  -3.438  -3.783
   15   2HB   LEU   2          HB3       LEU   2   2.614  -2.438  -4.828
   16    HG   LEU   2           HG       LEU   2   4.152  -4.351  -5.216
   17   1HD1  LEU   2          HD11      LEU   2   3.802  -5.599  -3.078
   18   2HD1  LEU   2          HD12      LEU   2   2.136  -5.953  -3.569
   19   3HD1  LEU   2          HD13      LEU   2   3.505  -6.618  -4.486
   20   1HD2  LEU   2          HD21      LEU   2   2.276  -3.919  -6.729
   21   2HD2  LEU   2          HD22      LEU   2   2.599  -5.653  -6.598
   22   3HD2  LEU   2          HD23      LEU   2   1.214  -4.938  -5.739
   23    H    GLN   3           H        GLN   3   5.468  -4.362  -3.357
   24    HA   GLN   3           HA       GLN   3   7.280  -2.229  -4.255
   25   1HB   GLN   3          HB2       GLN   3   7.690  -2.519  -1.869
   26   2HB   GLN   3          HB3       GLN   3   7.823  -4.259  -2.041
   27   1HG   GLN   3          HG2       GLN   3   9.781  -2.594  -3.605
   28   2HG   GLN   3          HG3       GLN   3   9.901  -2.576  -1.860
   29   1HE2  GLN   3          HE22      GLN   3  11.467  -3.957  -1.133
   30   2HE2  GLN   3          HE21      GLN   3  11.759  -5.550  -1.812
   31    H    TYR   4           H        TYR   4   8.899  -3.029  -5.704
   32    HA   TYR   4           HA       TYR   4   9.059  -5.898  -6.107
   33   1HB   TYR   4          HB2       TYR   4   8.955  -5.800  -8.566
   34   2HB   TYR   4          HB3       TYR   4   7.440  -5.534  -7.752
   35    HD1  TYR   4           HD1      TYR   4  10.199  -3.067  -8.750
   36    HD2  TYR   4           HD2      TYR   4   6.127  -4.438  -9.248
   37    HE1  TYR   4           HE1      TYR   4   9.806  -1.292 -10.400
   38    HE2  TYR   4           HE2      TYR   4   5.755  -2.690 -10.935
   39    HH   TYR   4           HH       TYR   4   6.650  -0.873 -12.052
   40    H    ARG   5           H        ARG   5  10.869  -6.465  -7.521
   41    HA   ARG   5           HA       ARG   5  13.034  -4.444  -7.705
   42   1HB   ARG   5          HB2       ARG   5  13.455  -5.992  -5.767
   43   2HB   ARG   5          HB3       ARG   5  13.335  -7.365  -6.870
   44   1HG   ARG   5          HG2       ARG   5  15.336  -6.513  -8.121
   45   2HG   ARG   5          HG3       ARG   5  15.445  -5.151  -6.981
   46   1HD   ARG   5          HD2       ARG   5  15.753  -6.716  -5.101
   47   2HD   ARG   5          HD3       ARG   5  15.506  -8.094  -6.184
   48    HE   ARG   5           HE       ARG   5  17.790  -6.177  -6.535
   49   1HH1  ARG   5          HH21      ARG   5  16.768  -9.512  -5.815
   50   2HH1  ARG   5          HH22      ARG   5  18.325 -10.184  -6.120
   51   1HH2  ARG   5          HH11      ARG   5  19.754  -7.063  -7.105
   52   2HH2  ARG   5          HH12      ARG   5  20.088  -8.752  -6.818
   53    H    ILE   6           H        ILE   6  13.923  -4.498  -9.786
   54    HA   ILE   6           HA       ILE   6  13.079  -6.650 -11.628
   55    HB   ILE   6           HB       ILE   6  12.767  -3.652 -12.106
   56   1HG1  ILE   6          HG12      ILE   6  10.775  -5.931 -11.864
   57   2HG1  ILE   6          HG13      ILE   6  10.947  -4.556 -10.782
   58   1HG2  ILE   6          HG21      ILE   6  11.958  -4.218 -14.363
   59   2HG2  ILE   6          HG22      ILE   6  13.609  -4.759 -14.163
   60   3HG2  ILE   6          HG23      ILE   6  12.281  -5.934 -14.073
   61   1HD1  ILE   6          HD11      ILE   6   8.990  -4.223 -12.076
   62   2HD1  ILE   6          HD12      ILE   6  10.196  -3.046 -12.644
   63   3HD1  ILE   6          HD13      ILE   6   9.832  -4.506 -13.604
   64    H    ILE   7           H        ILE   7  14.647  -7.101 -13.183
   65    HA   ILE   7           HA       ILE   7  17.183  -5.548 -13.064
   66    HB   ILE   7           HB       ILE   7  17.178  -8.496 -13.695
   67   1HG1  ILE   7          HG12      ILE   7  16.182  -8.472 -11.431
   68   2HG1  ILE   7          HG13      ILE   7  17.766  -9.207 -11.495
   69   1HG2  ILE   7          HG21      ILE   7  19.117  -7.231 -14.302
   70   2HG2  ILE   7          HG22      ILE   7  19.288  -6.575 -12.665
   71   3HG2  ILE   7          HG23      ILE   7  19.535  -8.312 -12.959
   72   1HD1  ILE   7          HD11      ILE   7  17.276  -6.370 -10.505
   73   2HD1  ILE   7          HD12      ILE   7  17.420  -7.805  -9.478
   74   3HD1  ILE   7          HD13      ILE   7  18.805  -7.275 -10.442
   75    H    VAL   8           H        VAL   8  18.017  -5.138 -15.144
   76    HA   VAL   8           HA       VAL   8  16.456  -6.156 -17.471
   77    HB   VAL   8           HB       VAL   8  17.390  -3.278 -17.079
   78   1HG1  VAL   8          HG11      VAL   8  15.558  -4.542 -19.165
   79   2HG1  VAL   8          HG12      VAL   8  16.021  -2.830 -19.076
   80   3HG1  VAL   8          HG13      VAL   8  17.243  -4.056 -19.451
   81   1HG2  VAL   8          HG21      VAL   8  14.597  -4.472 -16.783
   82   2HG2  VAL   8          HG22      VAL   8  15.530  -3.607 -15.542
   83   3HG2  VAL   8          HG23      VAL   8  14.920  -2.740 -16.955
   84    H    ASP   9           H        ASP   9  17.750  -7.087 -18.884
   85    HA   ASP   9           HA       ASP   9  20.716  -6.724 -18.823
   86   1HB   ASP   9          HB2       ASP   9  20.042  -9.035 -18.520
   87   2HB   ASP   9          HB3       ASP   9  18.866  -8.907 -19.827
   88    H    GLY  10           H        GLY  10  21.612  -5.766 -20.729
   89   1HA   GLY  10          HA2       GLY  10  20.665  -5.873 -23.312
   90   2HA   GLY  10          HA3       GLY  10  19.741  -4.566 -22.564
   91    H    ARG  11           H        ARG  11  20.974  -3.638 -24.488
   92    HA   ARG  11           HA       ARG  11  23.438  -2.222 -23.629
   93   1HB   ARG  11          HB2       ARG  11  22.887  -2.440 -26.068
   94   2HB   ARG  11          HB3       ARG  11  21.371  -1.582 -25.798
   95   1HG   ARG  11          HG2       ARG  11  22.781   0.396 -24.938
   96   2HG   ARG  11          HG3       ARG  11  24.197  -0.501 -25.520
   97   1HD   ARG  11          HD2       ARG  11  22.975  -0.606 -27.797
   98   2HD   ARG  11          HD3       ARG  11  21.840   0.572 -27.124
   99    HE   ARG  11           HE       ARG  11  24.793   1.049 -27.223
  100   1HH1  ARG  11          HH21      ARG  11  21.525   2.313 -27.977
  101   2HH1  ARG  11          HH22      ARG  11  22.139   3.610 -28.933
  102   1HH2  ARG  11          HH11      ARG  11  25.549   2.885 -28.327
  103   2HH2  ARG  11          HH12      ARG  11  24.452   4.008 -29.029
  104    H    VAL  12           H        VAL  12  22.925  -1.395 -21.566
  105    HA   VAL  12           HA       VAL  12  20.706   0.588 -21.456
  106    HB   VAL  12           HB       VAL  12  20.187  -0.271 -19.136
  107   1HG1  VAL  12          HG11      VAL  12  18.668  -0.560 -21.059
  108   2HG1  VAL  12          HG12      VAL  12  19.425  -2.126 -21.422
  109   3HG1  VAL  12          HG13      VAL  12  18.555  -1.885 -19.895
  110   1HG2  VAL  12          HG21      VAL  12  21.372  -2.903 -20.080
  111   2HG2  VAL  12          HG22      VAL  12  22.149  -1.840 -18.893
  112   3HG2  VAL  12          HG23      VAL  12  20.570  -2.561 -18.547
  113    H    GLN  13           H        GLN  13  23.933  -0.402 -20.283
  114    HA   GLN  13           HA       GLN  13  23.846   1.535 -18.113
  115   1HB   GLN  13          HB2       GLN  13  26.152  -0.127 -19.220
  116   2HB   GLN  13          HB3       GLN  13  26.258   0.966 -17.833
  117   1HG   GLN  13          HG2       GLN  13  24.384  -0.353 -16.746
  118   2HG   GLN  13          HG3       GLN  13  24.542  -1.540 -18.040
  119   1HE2  GLN  13          HE22      GLN  13  24.861  -2.521 -15.558
  120   2HE2  GLN  13          HE21      GLN  13  26.530  -2.782 -15.133
  121    H    GLY  14           H        GLY  14  25.733   1.371 -21.202
  122   1HA   GLY  14          HA2       GLY  14  27.013   3.882 -20.800
  123   2HA   GLY  14          HA3       GLY  14  26.889   2.994 -22.330
  124    H    VAL  15           H        VAL  15  23.970   2.979 -22.384
  125    HA   VAL  15           HA       VAL  15  23.418   5.599 -23.484
  126    HB   VAL  15           HB       VAL  15  21.150   4.614 -23.885
  127   1HG1  VAL  15          HG11      VAL  15  23.506   2.901 -24.800
  128   2HG1  VAL  15          HG12      VAL  15  21.902   2.981 -25.548
  129   3HG1  VAL  15          HG13      VAL  15  22.944   4.410 -25.551
  130   1HG2  VAL  15          HG21      VAL  15  22.325   2.056 -22.681
  131   2HG2  VAL  15          HG22      VAL  15  21.028   3.049 -21.963
  132   3HG2  VAL  15          HG23      VAL  15  20.769   2.233 -23.500
  133    H    GLY  16           H        GLY  16  23.464   4.535 -20.255
  134   1HA   GLY  16          HA2       GLY  16  22.893   5.666 -18.368
  135   2HA   GLY  16          HA3       GLY  16  22.386   7.024 -19.384
  136    H    PHE  17           H        PHE  17  21.018   3.694 -19.490
  137    HA   PHE  17           HA       PHE  17  18.349   4.470 -19.597
  138   1HB   PHE  17          HB2       PHE  17  19.103   2.236 -20.142
  139   2HB   PHE  17          HB3       PHE  17  19.649   1.975 -18.486
  140    HD1  PHE  17           HD2      PHE  17  16.327   3.349 -19.669
  141    HD2  PHE  17           HD1      PHE  17  18.449   0.136 -17.720
  142    HE1  PHE  17           HE2      PHE  17  14.179   2.266 -19.109
  143    HE2  PHE  17           HE1      PHE  17  16.306  -0.948 -17.177
  144    HZ   PHE  17           HZ       PHE  17  14.166   0.075 -17.896
  145    H    ARG  18           H        ARG  18  20.309   3.838 -16.674
  146    HA   ARG  18           HA       ARG  18  18.363   3.968 -14.715
  147   1HB   ARG  18          HB2       ARG  18  20.129   4.620 -13.166
  148   2HB   ARG  18          HB3       ARG  18  20.720   3.417 -14.313
  149   1HG   ARG  18          HG2       ARG  18  21.648   5.421 -15.674
  150   2HG   ARG  18          HG3       ARG  18  21.301   6.406 -14.247
  151   1HD   ARG  18          HD2       ARG  18  22.848   5.133 -12.900
  152   2HD   ARG  18          HD3       ARG  18  23.048   3.907 -14.155
  153    HE   ARG  18           HE       ARG  18  24.264   6.563 -14.002
  154   1HH1  ARG  18          HH21      ARG  18  23.747   3.701 -16.044
  155   2HH1  ARG  18          HH22      ARG  18  24.775   4.234 -17.329
  156   1HH2  ARG  18          HH11      ARG  18  25.581   7.308 -15.713
  157   2HH2  ARG  18          HH12      ARG  18  26.000   6.262 -17.031
  158    H    TYR  19           H        TYR  19  19.582   6.804 -16.555
  159    HA   TYR  19           HA       TYR  19  18.414   8.694 -14.680
  160   1HB   TYR  19          HB2       TYR  19  19.189   9.109 -17.592
  161   2HB   TYR  19          HB3       TYR  19  18.907  10.358 -16.387
  162    HD1  TYR  19           HD1      TYR  19  20.410  10.002 -14.117
  163    HD2  TYR  19           HD2      TYR  19  21.439   8.671 -18.082
  164    HE1  TYR  19           HE1      TYR  19  22.781   9.828 -13.432
  165    HE2  TYR  19           HE2      TYR  19  23.818   8.493 -17.414
  166    HH   TYR  19           HH       TYR  19  24.955   9.295 -14.098
  167    H    PHE  20           H        PHE  20  17.356   7.114 -17.738
  168    HA   PHE  20           HA       PHE  20  14.882   8.522 -17.975
  169   1HB   PHE  20          HB2       PHE  20  15.655   5.729 -18.937
  170   2HB   PHE  20          HB3       PHE  20  14.182   6.566 -19.358
  171    HD1  PHE  20           HD1      PHE  20  17.909   6.741 -19.684
  172    HD2  PHE  20           HD2      PHE  20  14.112   8.195 -21.121
  173    HE1  PHE  20           HE1      PHE  20  19.054   7.840 -21.582
  174    HE2  PHE  20           HE2      PHE  20  15.261   9.291 -23.026
  175    HZ   PHE  20           HZ       PHE  20  17.735   9.126 -23.256
  176    H    VAL  21           H        VAL  21  15.797   5.405 -16.412
  177    HA   VAL  21           HA       VAL  21  13.262   4.776 -15.334
  178    HB   VAL  21           HB       VAL  21  16.055   4.204 -14.260
  179   1HG1  VAL  21          HG11      VAL  21  14.324   3.807 -12.516
  180   2HG1  VAL  21          HG12      VAL  21  13.454   2.748 -13.665
  181   3HG1  VAL  21          HG13      VAL  21  15.061   2.313 -13.075
  182   1HG2  VAL  21          HG21      VAL  21  15.681   3.288 -16.543
  183   2HG2  VAL  21          HG22      VAL  21  15.788   2.000 -15.351
  184   3HG2  VAL  21          HG23      VAL  21  14.205   2.497 -15.987
  185    H    GLN  22           H        GLN  22  15.904   6.839 -13.950
  186    HA   GLN  22           HA       GLN  22  14.690   7.353 -11.491
  187   1HB   GLN  22          HB2       GLN  22  17.054   8.009 -12.251
  188   2HB   GLN  22          HB3       GLN  22  16.356   9.339 -13.126
  189   1HG   GLN  22          HG2       GLN  22  17.132  10.217 -11.058
  190   2HG   GLN  22          HG3       GLN  22  15.365  10.218 -10.975
  191   1HE2  GLN  22          HE21      GLN  22  17.046   7.161 -10.630
  192   2HE2  GLN  22          HE22      GLN  22  16.812   6.978  -8.906
  193    H    MET  23           H        MET  23  14.366   9.176 -14.566
  194    HA   MET  23           HA       MET  23  12.624  11.147 -13.422
  195   1HB   MET  23          HB2       MET  23  13.166  10.344 -16.311
  196   2HB   MET  23          HB3       MET  23  12.281  11.798 -15.814
  197   1HG   MET  23          HG2       MET  23  14.227  12.657 -14.626
  198   2HG   MET  23          HG3       MET  23  15.129  11.178 -14.903
  199   1HE   MET  23          HE1       MET  23  16.491  13.873 -15.464
  200   2HE   MET  23          HE2       MET  23  17.226  12.294 -15.834
  201   3HE   MET  23          HE3       MET  23  17.224  13.584 -17.058
  202    H    GLU  24           H        GLU  24  11.991   8.089 -15.214
  203    HA   GLU  24           HA       GLU  24   9.162   8.507 -15.363
  204   1HB   GLU  24          HB2       GLU  24  10.913   6.030 -15.585
  205   2HB   GLU  24          HB3       GLU  24   9.160   5.975 -15.777
  206   1HG   GLU  24          HG2       GLU  24  11.028   7.678 -17.489
  207   2HG   GLU  24          HG3       GLU  24  10.367   6.113 -17.948
  208    H    ALA  25           H        ALA  25  11.228   7.060 -12.821
  209    HA   ALA  25           HA       ALA  25   9.019   6.109 -11.222
  210   1HB   ALA  25          HB1       ALA  25  11.828   6.997 -10.426
  211   2HB   ALA  25          HB2       ALA  25  10.707   6.077  -9.409
  212   3HB   ALA  25          HB3       ALA  25  11.365   5.352 -10.882
  213    H    ASP  26           H        ASP  26  10.964   9.124 -11.291
  214    HA   ASP  26           HA       ASP  26   9.815  10.347  -9.029
  215   1HB   ASP  26          HB2       ASP  26  11.924  11.091  -9.990
  216   2HB   ASP  26          HB3       ASP  26  11.119  11.576 -11.485
  217    H    LYS  27           H        LYS  27   8.920  10.752 -12.535
  218    HA   LYS  27           HA       LYS  27   6.827  12.578 -11.942
  219   1HB   LYS  27          HB2       LYS  27   6.104  12.356 -14.199
  220   2HB   LYS  27          HB3       LYS  27   7.855  12.343 -14.148
  221   1HG   LYS  27          HG2       LYS  27   7.480  10.721 -15.696
  222   2HG   LYS  27          HG3       LYS  27   7.612   9.735 -14.245
  223   1HD   LYS  27          HD2       LYS  27   5.122   9.595 -14.126
  224   2HD   LYS  27          HD3       LYS  27   4.990  10.624 -15.551
  225   1HE   LYS  27          HE2       LYS  27   6.416   7.923 -15.476
  226   2HE   LYS  27          HE3       LYS  27   4.726   8.132 -15.945
  227   1HZ   LYS  27          HZ1       LYS  27   7.036   9.336 -17.367
  228   2HZ   LYS  27          HZ2       LYS  27   6.239   8.045 -17.845
  229   3HZ   LYS  27          HZ3       LYS  27   5.443   9.492 -17.810
  230    H    ARG  28           H        ARG  28   6.939   9.141 -11.479
  231    HA   ARG  28           HA       ARG  28   3.994   9.048 -11.100
  232   1HB   ARG  28          HB2       ARG  28   5.680   7.261 -12.406
  233   2HB   ARG  28          HB3       ARG  28   5.596   6.552 -10.801
  234   1HG   ARG  28          HG2       ARG  28   3.903   5.539 -12.086
  235   2HG   ARG  28          HG3       ARG  28   3.075   6.642 -10.976
  236   1HD   ARG  28          HD2       ARG  28   2.744   8.275 -12.793
  237   2HD   ARG  28          HD3       ARG  28   3.758   7.302 -13.865
  238    HE   ARG  28           HE       ARG  28   1.992   6.006 -14.380
  239   1HH1  ARG  28          HH21      ARG  28   1.043   7.753 -11.429
  240   2HH1  ARG  28          HH22      ARG  28  -0.488   6.968 -11.309
  241   1HH2  ARG  28          HH11      ARG  28   0.045   4.857 -14.109
  242   2HH2  ARG  28          HH12      ARG  28  -1.055   5.269 -12.842
  243    H    LYS  29           H        LYS  29   6.435  10.083  -9.299
  244    HA   LYS  29           HA       LYS  29   7.027  10.177  -7.163
  245   1HB   LYS  29          HB2       LYS  29   4.032   9.869  -6.741
  246   2HB   LYS  29          HB3       LYS  29   5.181  10.528  -5.569
  247   1HG   LYS  29          HG2       LYS  29   5.778  12.346  -7.152
  248   2HG   LYS  29          HG3       LYS  29   4.582  11.729  -8.311
  249   1HD   LYS  29          HD2       LYS  29   2.780  12.081  -6.657
  250   2HD   LYS  29          HD3       LYS  29   3.969  12.708  -5.491
  251   1HE   LYS  29          HE2       LYS  29   4.568  14.520  -7.085
  252   2HE   LYS  29          HE3       LYS  29   3.383  13.900  -8.242
  253   1HZ   LYS  29          HZ1       LYS  29   2.740  14.965  -5.552
  254   2HZ   LYS  29          HZ2       LYS  29   2.491  15.738  -6.962
  255   3HZ   LYS  29          HZ3       LYS  29   1.643  14.391  -6.621
  256    H    LEU  30           H        LEU  30   7.452   7.575  -8.171
  257    HA   LEU  30           HA       LEU  30   6.792   5.678  -6.001
  258   1HB   LEU  30          HB2       LEU  30   8.706   5.534  -8.364
  259   2HB   LEU  30          HB3       LEU  30   8.456   4.225  -7.212
  260    HG   LEU  30           HG       LEU  30   6.294   5.396  -9.015
  261   1HD1  LEU  30          HD11      LEU  30   6.458   3.254 -10.213
  262   2HD1  LEU  30          HD12      LEU  30   7.979   4.162 -10.281
  263   3HD1  LEU  30          HD13      LEU  30   7.825   2.776  -9.182
  264   1HD2  LEU  30          HD21      LEU  30   5.007   3.341  -8.343
  265   2HD2  LEU  30          HD22      LEU  30   6.238   3.027  -7.106
  266   3HD2  LEU  30          HD23      LEU  30   5.236   4.502  -7.034
  267    H    ALA  31           H        ALA  31   8.643   4.625  -4.803
  268    HA   ALA  31           HA       ALA  31  10.931   6.453  -4.308
  269   1HB   ALA  31          HB1       ALA  31   9.245   6.886  -2.540
  270   2HB   ALA  31          HB2       ALA  31   9.202   5.147  -2.156
  271   3HB   ALA  31          HB3       ALA  31  10.683   6.087  -1.884
  272    H    GLY  32           H        GLY  32  12.870   5.318  -3.635
  273   1HA   GLY  32          HA2       GLY  32  13.597   2.815  -3.130
  274   2HA   GLY  32          HA3       GLY  32  12.827   2.556  -4.695
  275    H    TRP  33           H        TRP  33  14.799   1.970  -5.783
  276    HA   TRP  33           HA       TRP  33  16.486   4.259  -6.445
  277   1HB   TRP  33          HB2       TRP  33  18.589   3.084  -6.067
  278   2HB   TRP  33          HB3       TRP  33  17.718   3.356  -4.577
  279    HD1  TRP  33           HD1      TRP  33  18.513   0.441  -7.040
  280    HE1  TRP  33           HE1      TRP  33  18.711  -1.721  -5.710
  281    HE3  TRP  33           HE3      TRP  33  17.175   2.189  -2.396
  282    HZ2  TRP  33           HZ2      TRP  33  18.580  -2.552  -2.980
  283    HZ3  TRP  33           HZ3      TRP  33  17.273   0.677  -0.437
  284    HH2  TRP  33           HH2      TRP  33  17.987  -1.691  -0.704
  285    H    VAL  34           H        VAL  34  17.965   3.864  -8.208
  286    HA   VAL  34           HA       VAL  34  17.634   1.300  -9.629
  287    HB   VAL  34           HB       VAL  34  16.327   2.791 -10.969
  288   1HG1  VAL  34          HG11      VAL  34  17.166   4.841 -11.999
  289   2HG1  VAL  34          HG12      VAL  34  17.202   4.971 -10.237
  290   3HG1  VAL  34          HG13      VAL  34  18.709   4.686 -11.133
  291   1HG2  VAL  34          HG21      VAL  34  19.026   2.495 -12.355
  292   2HG2  VAL  34          HG22      VAL  34  17.846   1.188 -12.151
  293   3HG2  VAL  34          HG23      VAL  34  17.433   2.608 -13.114
  294    H    LYS  35           H        LYS  35  19.603   0.519 -10.455
  295    HA   LYS  35           HA       LYS  35  22.031   2.117 -10.000
  296   1HB   LYS  35          HB2       LYS  35  23.041   0.421  -8.601
  297   2HB   LYS  35          HB3       LYS  35  21.539   0.965  -7.854
  298   1HG   LYS  35          HG2       LYS  35  20.382  -1.082  -8.780
  299   2HG   LYS  35          HG3       LYS  35  21.942  -1.655  -9.363
  300   1HD   LYS  35          HD2       LYS  35  21.035  -1.238  -6.505
  301   2HD   LYS  35          HD3       LYS  35  21.473  -2.759  -7.278
  302   1HE   LYS  35          HE2       LYS  35  23.340  -0.441  -6.615
  303   2HE   LYS  35          HE3       LYS  35  23.194  -1.935  -5.695
  304   1HZ   LYS  35          HZ1       LYS  35  24.159  -1.814  -8.514
  305   2HZ   LYS  35          HZ2       LYS  35  25.106  -1.924  -7.179
  306   3HZ   LYS  35          HZ3       LYS  35  24.088  -3.152  -7.556
  307    H    ASN  36           H        ASN  36  23.924   1.199 -10.971
  308    HA   ASN  36           HA       ASN  36  23.463  -0.588 -13.267
  309   1HB   ASN  36          HB2       ASN  36  25.724  -0.274 -13.797
  310   2HB   ASN  36          HB3       ASN  36  25.248   1.300 -13.193
  311   1HD2  ASN  36          HD22      ASN  36  27.641  -1.110 -12.963
  312   2HD2  ASN  36          HD21      ASN  36  28.312  -0.649 -11.422
  313    H    ARG  37           H        ARG  37  24.631  -2.700 -13.354
  314    HA   ARG  37           HA       ARG  37  25.436  -3.802 -10.693
  315   1HB   ARG  37          HB2       ARG  37  24.064  -5.198 -13.045
  316   2HB   ARG  37          HB3       ARG  37  24.843  -6.020 -11.702
  317   1HG   ARG  37          HG2       ARG  37  23.277  -4.873 -10.107
  318   2HG   ARG  37          HG3       ARG  37  22.451  -4.131 -11.484
  319   1HD   ARG  37          HD2       ARG  37  21.281  -6.171 -10.630
  320   2HD   ARG  37          HD3       ARG  37  21.755  -6.308 -12.318
  321    HE   ARG  37           HE       ARG  37  23.409  -7.882 -11.760
  322   1HH1  ARG  37          HH21      ARG  37  21.726  -6.831  -8.751
  323   2HH1  ARG  37          HH22      ARG  37  22.675  -7.904  -7.772
  324   1HH2  ARG  37          HH11      ARG  37  24.518  -9.215 -10.534
  325   2HH2  ARG  37          HH12      ARG  37  24.241  -9.412  -8.817
  326    H    ASP  38           H        ASP  38  27.405  -4.907 -10.701
  327    HA   ASP  38           HA       ASP  38  29.354  -4.096 -12.592
  328   1HB   ASP  38          HB2       ASP  38  29.904  -4.723 -10.297
  329   2HB   ASP  38          HB3       ASP  38  29.357  -6.378 -10.582
  330    H    ASP  39           H        ASP  39  27.308  -6.976 -12.442
  331    HA   ASP  39           HA       ASP  39  28.648  -8.469 -14.477
  332   1HB   ASP  39          HB2       ASP  39  26.746  -9.931 -14.459
  333   2HB   ASP  39          HB3       ASP  39  27.190  -9.505 -12.814
  334    H    GLY  40           H        GLY  40  26.821  -5.595 -14.807
  335   1HA   GLY  40          HA2       GLY  40  26.982  -4.532 -16.942
  336   2HA   GLY  40          HA3       GLY  40  26.638  -6.062 -17.749
  337    H    ARG  41           H        ARG  41  24.432  -6.414 -15.450
  338    HA   ARG  41           HA       ARG  41  22.246  -5.290 -16.995
  339   1HB   ARG  41          HB2       ARG  41  22.513  -6.784 -14.363
  340   2HB   ARG  41          HB3       ARG  41  20.965  -6.109 -14.859
  341   1HG   ARG  41          HG2       ARG  41  20.831  -7.365 -16.801
  342   2HG   ARG  41          HG3       ARG  41  22.540  -7.846 -16.783
  343   1HD   ARG  41          HD2       ARG  41  20.220  -8.883 -15.165
  344   2HD   ARG  41          HD3       ARG  41  21.195  -9.716 -16.366
  345    HE   ARG  41           HE       ARG  41  23.019  -8.949 -14.409
  346   1HH1  ARG  41          HH11      ARG  41  20.131 -11.043 -14.566
  347   2HH1  ARG  41          HH12      ARG  41  20.600 -12.033 -13.238
  348   1HH2  ARG  41          HH21      ARG  41  23.601 -10.228 -12.602
  349   2HH2  ARG  41          HH22      ARG  41  22.641 -11.597 -12.120
  350    H    VAL  42           H        VAL  42  20.514  -4.111 -15.780
  351    HA   VAL  42           HA       VAL  42  21.549  -2.092 -13.856
  352    HB   VAL  42           HB       VAL  42  19.557  -1.756 -16.150
  353   1HG1  VAL  42          HG11      VAL  42  19.949   0.199 -13.844
  354   2HG1  VAL  42          HG12      VAL  42  19.041   0.515 -15.331
  355   3HG1  VAL  42          HG13      VAL  42  18.470  -0.717 -14.207
  356   1HG2  VAL  42          HG21      VAL  42  21.994  -0.108 -15.318
  357   2HG2  VAL  42          HG22      VAL  42  21.976  -1.309 -16.619
  358   3HG2  VAL  42          HG23      VAL  42  20.990   0.153 -16.758
  359    H    GLU  43           H        GLU  43  20.072  -1.768 -12.098
  360    HA   GLU  43           HA       GLU  43  17.939  -3.810 -11.795
  361   1HB   GLU  43          HB2       GLU  43  19.622  -4.884 -10.689
  362   2HB   GLU  43          HB3       GLU  43  20.407  -3.405 -10.106
  363   1HG   GLU  43          HG2       GLU  43  18.638  -3.055  -8.468
  364   2HG   GLU  43          HG3       GLU  43  17.731  -4.438  -9.098
  365    H    ILE  44           H        ILE  44  16.207  -3.086 -10.735
  366    HA   ILE  44           HA       ILE  44  16.083  -0.245  -9.873
  367    HB   ILE  44           HB       ILE  44  14.090  -1.854 -11.517
  368   1HG1  ILE  44          HG12      ILE  44  15.803   0.314 -12.779
  369   2HG1  ILE  44          HG13      ILE  44  16.331  -1.353 -12.806
  370   1HG2  ILE  44          HG21      ILE  44  13.110   0.016 -10.248
  371   2HG2  ILE  44          HG22      ILE  44  14.279   1.139 -10.977
  372   3HG2  ILE  44          HG23      ILE  44  13.040   0.351 -11.974
  373   1HD1  ILE  44          HD11      ILE  44  15.199  -0.909 -14.840
  374   2HD1  ILE  44          HD12      ILE  44  14.313  -2.100 -13.862
  375   3HD1  ILE  44          HD13      ILE  44  13.730  -0.414 -13.974
  376    H    LEU  45           H        LEU  45  14.750  -0.010  -8.015
  377    HA   LEU  45           HA       LEU  45  13.167  -2.331  -7.088
  378   1HB   LEU  45          HB2       LEU  45  15.614  -2.358  -6.217
  379   2HB   LEU  45          HB3       LEU  45  15.181  -0.933  -5.277
  380    HG   LEU  45           HG       LEU  45  13.860  -3.689  -5.133
  381   1HD1  LEU  45          HD11      LEU  45  15.692  -2.268  -3.169
  382   2HD1  LEU  45          HD12      LEU  45  15.020  -3.905  -2.996
  383   3HD1  LEU  45          HD13      LEU  45  16.200  -3.559  -4.275
  384   1HD2  LEU  45          HD21      LEU  45  12.166  -2.148  -4.428
  385   2HD2  LEU  45          HD22      LEU  45  12.900  -2.750  -2.951
  386   3HD2  LEU  45          HD23      LEU  45  13.347  -1.139  -3.557
  387    H    ALA  46           H        ALA  46  11.181  -1.464  -6.542
  388    HA   ALA  46           HA       ALA  46  11.050   1.407  -5.805
  389   1HB   ALA  46          HB1       ALA  46   9.357   1.815  -7.529
  390   2HB   ALA  46          HB2       ALA  46  10.878   1.296  -8.280
  391   3HB   ALA  46          HB3       ALA  46   9.522   0.152  -8.127
  392    H    GLU  47           H        GLU  47   9.318   1.948  -4.631
  393    HA   GLU  47           HA       GLU  47   7.293  -0.081  -3.853
  394   1HB   GLU  47          HB2       GLU  47   8.977   0.435  -2.072
  395   2HB   GLU  47          HB3       GLU  47   8.624   2.155  -2.260
  396   1HG   GLU  47          HG2       GLU  47   6.169   1.524  -1.634
  397   2HG   GLU  47          HG3       GLU  47   6.847  -0.020  -1.119
  398    H    GLY  48           H        GLY  48   5.153   0.708  -3.887
  399   1HA   GLY  48          HA2       GLY  48   4.315   3.356  -3.709
  400   2HA   GLY  48          HA3       GLY  48   4.567   3.056  -5.431
  401    HA   PRO  49           HA       PRO  49   0.347   1.335  -4.519
  402   1HB   PRO  49          HB2       PRO  49  -1.077   2.895  -6.264
  403   2HB   PRO  49          HB3       PRO  49  -0.753   3.371  -4.568
  404   1HG   PRO  49          HG2       PRO  49   0.688   4.249  -7.069
  405   2HG   PRO  49          HG3       PRO  49   0.168   5.248  -5.681
  406   1HD   PRO  49          HD2       PRO  49   2.740   4.289  -5.996
  407   2HD   PRO  49          HD3       PRO  49   2.006   4.585  -4.394
  408    H    GLU  50           H        GLU  50  -0.639  -0.126  -5.984
  409    HA   GLU  50           HA       GLU  50   1.143  -1.376  -7.730
  410   1HB   GLU  50          HB2       GLU  50  -0.702  -2.472  -6.543
  411   2HB   GLU  50          HB3       GLU  50  -1.883  -1.637  -7.565
  412   1HG   GLU  50          HG2       GLU  50  -0.960  -2.813  -9.563
  413   2HG   GLU  50          HG3       GLU  50   0.227  -3.619  -8.533
  414    H    ASN  51           H        ASN  51  -1.488   0.946  -8.550
  415    HA   ASN  51           HA       ASN  51  -1.356   0.543 -11.372
  416   1HB   ASN  51          HB2       ASN  51  -3.242   1.695 -10.330
  417   2HB   ASN  51          HB3       ASN  51  -2.186   2.985  -9.739
  418   1HD2  ASN  51          HD22      ASN  51  -3.290   1.425 -12.830
  419   2HD2  ASN  51          HD21      ASN  51  -3.160   2.884 -13.771
  420    H    ALA  52           H        ALA  52   0.435   2.822  -9.257
  421    HA   ALA  52           HA       ALA  52   1.837   4.154 -11.398
  422   1HB   ALA  52          HB1       ALA  52   2.550   3.790  -8.448
  423   2HB   ALA  52          HB2       ALA  52   3.392   4.870  -9.568
  424   3HB   ALA  52          HB3       ALA  52   1.686   5.175  -9.165
  425    H    LEU  53           H        LEU  53   2.580   1.361  -9.263
  426    HA   LEU  53           HA       LEU  53   5.187   0.881 -10.275
  427   1HB   LEU  53          HB2       LEU  53   3.099  -0.826  -8.887
  428   2HB   LEU  53          HB3       LEU  53   4.630  -1.510  -9.372
  429    HG   LEU  53           HG       LEU  53   4.406   0.912  -7.544
  430   1HD1  LEU  53          HD11      LEU  53   4.920  -0.680  -5.731
  431   2HD1  LEU  53          HD12      LEU  53   3.374  -1.034  -6.503
  432   3HD1  LEU  53          HD13      LEU  53   4.802  -2.036  -6.871
  433   1HD2  LEU  53          HD21      LEU  53   6.765  -0.948  -8.095
  434   2HD2  LEU  53          HD22      LEU  53   6.622   0.723  -8.673
  435   3HD2  LEU  53          HD23      LEU  53   6.738   0.399  -6.944
  436    H    GLN  54           H        GLN  54   2.011  -0.521 -11.344
  437    HA   GLN  54           HA       GLN  54   3.182  -2.183 -13.353
  438   1HB   GLN  54          HB2       GLN  54   0.407  -0.969 -13.021
  439   2HB   GLN  54          HB3       GLN  54   0.817  -2.032 -14.363
  440   1HG   GLN  54          HG2       GLN  54   1.022  -2.786 -11.414
  441   2HG   GLN  54          HG3       GLN  54  -0.281  -3.248 -12.497
  442   1HE2  GLN  54          HE22      GLN  54   2.481  -4.440 -11.086
  443   2HE2  GLN  54          HE21      GLN  54   2.927  -5.632 -12.276
  444    H    SER  55           H        SER  55   1.913   1.187 -13.516
  445    HA   SER  55           HA       SER  55   2.414   1.609 -16.284
  446   1HB   SER  55          HB2       SER  55   2.728   3.625 -14.020
  447   2HB   SER  55          HB3       SER  55   2.441   3.974 -15.732
  448    HG   SER  55           HG       SER  55   0.677   2.665 -13.903
  449    H    PHE  56           H        PHE  56   4.582   1.864 -13.430
  450    HA   PHE  56           HA       PHE  56   6.809   2.783 -14.931
  451   1HB   PHE  56          HB2       PHE  56   6.457   3.194 -12.559
  452   2HB   PHE  56          HB3       PHE  56   6.636   1.490 -12.197
  453    HD1  PHE  56           HD1      PHE  56   8.603   4.017 -14.229
  454    HD2  PHE  56           HD2      PHE  56   8.616   1.161 -10.995
  455    HE1  PHE  56           HE1      PHE  56  11.004   4.477 -13.802
  456    HE2  PHE  56           HE2      PHE  56  11.002   1.631 -10.580
  457    HZ   PHE  56           HZ       PHE  56  12.177   3.327 -11.936
  458    H    VAL  57           H        VAL  57   5.652  -0.595 -14.215
  459    HA   VAL  57           HA       VAL  57   8.011  -1.813 -15.317
  460    HB   VAL  57           HB       VAL  57   5.192  -2.943 -15.577
  461   1HG1  VAL  57          HG11      VAL  57   7.955  -4.246 -15.595
  462   2HG1  VAL  57          HG12      VAL  57   6.404  -5.113 -15.672
  463   3HG1  VAL  57          HG13      VAL  57   6.885  -4.055 -16.997
  464   1HG2  VAL  57          HG21      VAL  57   5.529  -2.625 -13.220
  465   2HG2  VAL  57          HG22      VAL  57   5.803  -4.323 -13.554
  466   3HG2  VAL  57          HG23      VAL  57   7.195  -3.244 -13.308
  467    H    GLU  58           H        GLU  58   4.937  -0.617 -16.831
  468    HA   GLU  58           HA       GLU  58   5.624  -1.422 -19.445
  469   1HB   GLU  58          HB2       GLU  58   3.825   0.834 -18.488
  470   2HB   GLU  58          HB3       GLU  58   4.015   0.382 -20.185
  471   1HG   GLU  58          HG2       GLU  58   3.298  -1.932 -19.662
  472   2HG   GLU  58          HG3       GLU  58   3.048  -1.482 -17.976
  473    H    ALA  59           H        ALA  59   6.487   1.582 -17.686
  474    HA   ALA  59           HA       ALA  59   7.917   2.753 -19.856
  475   1HB   ALA  59          HB1       ALA  59   7.249   4.014 -17.836
  476   2HB   ALA  59          HB2       ALA  59   8.385   3.060 -16.855
  477   3HB   ALA  59          HB3       ALA  59   8.994   4.126 -18.131
  478    H    VAL  60           H        VAL  60   9.054   0.667 -17.121
  479    HA   VAL  60           HA       VAL  60  11.785   0.796 -17.798
  480    HB   VAL  60           HB       VAL  60  10.061  -1.002 -16.078
  481   1HG1  VAL  60          HG11      VAL  60  13.068  -1.290 -16.372
  482   2HG1  VAL  60          HG12      VAL  60  12.076  -1.992 -15.075
  483   3HG1  VAL  60          HG13      VAL  60  11.840  -2.521 -16.739
  484   1HG2  VAL  60          HG21      VAL  60  10.606   1.369 -15.373
  485   2HG2  VAL  60          HG22      VAL  60  11.219   0.149 -14.257
  486   3HG2  VAL  60          HG23      VAL  60  12.320   0.946 -15.405
  487    H    LYS  61           H        LYS  61   9.301  -1.657 -18.758
  488    HA   LYS  61           HA       LYS  61  11.214  -3.419 -19.881
  489   1HB   LYS  61          HB2       LYS  61   9.400  -4.621 -20.830
  490   2HB   LYS  61          HB3       LYS  61   8.898  -4.048 -19.239
  491   1HG   LYS  61          HG2       LYS  61   7.579  -2.233 -20.307
  492   2HG   LYS  61          HG3       LYS  61   8.106  -2.785 -21.908
  493   1HD   LYS  61          HD2       LYS  61   7.062  -5.023 -21.417
  494   2HD   LYS  61          HD3       LYS  61   6.426  -4.349 -19.902
  495   1HE   LYS  61          HE2       LYS  61   5.195  -2.616 -21.210
  496   2HE   LYS  61          HE3       LYS  61   5.857  -3.277 -22.708
  497   1HZ   LYS  61          HZ1       LYS  61   4.058  -4.748 -20.864
  498   2HZ   LYS  61          HZ2       LYS  61   3.626  -4.097 -22.294
  499   3HZ   LYS  61          HZ3       LYS  61   4.672  -5.342 -22.258
  500    H    ASN  62           H        ASN  62  10.112  -0.393 -21.162
  501    HA   ASN  62           HA       ASN  62  10.640  -0.934 -23.954
  502   1HB   ASN  62          HB2       ASN  62   9.306   1.025 -23.102
  503   2HB   ASN  62          HB3       ASN  62  10.786   1.701 -22.417
  504   1HD2  ASN  62          HD22      ASN  62  12.172   2.854 -23.723
  505   2HD2  ASN  62          HD21      ASN  62  11.899   3.112 -25.444
  506    H    GLY  63           H        GLY  63  12.688  -0.289 -21.139
  507   1HA   GLY  63          HA2       GLY  63  14.942   0.237 -20.942
  508   2HA   GLY  63          HA3       GLY  63  15.164   0.023 -22.680
  509    H    SER  64           H        SER  64  16.385   2.259 -22.150
  510    HA   SER  64           HA       SER  64  14.586   4.567 -22.354
  511   1HB   SER  64          HB2       SER  64  16.542   5.831 -22.926
  512   2HB   SER  64          HB3       SER  64  16.947   4.786 -21.557
  513    HG   SER  64           HG       SER  64  18.564   4.788 -23.165
  514    HA   PRO  65           HA       PRO  65  13.891   4.073 -26.806
  515   1HB   PRO  65          HB2       PRO  65  14.280   6.696 -27.729
  516   2HB   PRO  65          HB3       PRO  65  12.777   6.018 -27.040
  517   1HG   PRO  65          HG2       PRO  65  14.933   7.610 -25.640
  518   2HG   PRO  65          HG3       PRO  65  13.153   7.793 -25.511
  519   1HD   PRO  65          HD2       PRO  65  14.547   6.468 -23.623
  520   2HD   PRO  65          HD3       PRO  65  12.972   5.818 -24.165
  521    H    PHE  66           H        PHE  66  16.952   4.680 -25.470
  522    HA   PHE  66           HA       PHE  66  18.292   4.284 -28.107
  523   1HB   PHE  66          HB2       PHE  66  19.451   5.389 -25.525
  524   2HB   PHE  66          HB3       PHE  66  20.280   5.235 -27.066
  525    HD1  PHE  66           HD1      PHE  66  19.594   6.686 -29.025
  526    HD2  PHE  66           HD2      PHE  66  17.978   7.261 -25.065
  527    HE1  PHE  66           HE1      PHE  66  18.793   8.944 -29.676
  528    HE2  PHE  66           HE2      PHE  66  17.172   9.516 -25.725
  529    HZ   PHE  66           HZ       PHE  66  17.579  10.361 -28.029
  530    H    SER  67           H        SER  67  17.335   2.722 -25.215
  531    HA   SER  67           HA       SER  67  19.627   0.971 -24.888
  532   1HB   SER  67          HB2       SER  67  16.749   0.849 -23.903
  533   2HB   SER  67          HB3       SER  67  18.025  -0.243 -23.371
  534    HG   SER  67           HG       SER  67  18.172   2.594 -23.088
  535    H    LYS  68           H        LYS  68  19.248  -1.405 -24.943
  536    HA   LYS  68           HA       LYS  68  17.178  -2.390 -26.803
  537   1HB   LYS  68          HB2       LYS  68  19.205  -2.206 -28.230
  538   2HB   LYS  68          HB3       LYS  68  20.117  -3.186 -27.073
  539   1HG   LYS  68          HG2       LYS  68  18.405  -5.042 -27.423
  540   2HG   LYS  68          HG3       LYS  68  17.694  -4.067 -28.710
  541   1HD   LYS  68          HD2       LYS  68  20.559  -5.120 -28.613
  542   2HD   LYS  68          HD3       LYS  68  19.227  -5.830 -29.533
  543   1HE   LYS  68          HE2       LYS  68  19.003  -3.707 -30.833
  544   2HE   LYS  68          HE3       LYS  68  20.381  -3.034 -29.951
  545   1HZ   LYS  68          HZ1       LYS  68  21.056  -3.940 -32.079
  546   2HZ   LYS  68          HZ2       LYS  68  21.757  -4.804 -30.889
  547   3HZ   LYS  68          HZ3       LYS  68  20.482  -5.417 -31.709
  548    H    VAL  69           H        VAL  69  16.086  -3.200 -24.989
  549    HA   VAL  69           HA       VAL  69  17.412  -4.693 -22.883
  550    HB   VAL  69           HB       VAL  69  14.486  -4.666 -23.766
  551   1HG1  VAL  69          HG11      VAL  69  14.923  -6.641 -22.389
  552   2HG1  VAL  69          HG12      VAL  69  15.797  -5.666 -21.199
  553   3HG1  VAL  69          HG13      VAL  69  14.046  -5.457 -21.423
  554   1HG2  VAL  69          HG21      VAL  69  15.140  -2.410 -23.114
  555   2HG2  VAL  69          HG22      VAL  69  14.165  -3.111 -21.827
  556   3HG2  VAL  69          HG23      VAL  69  15.931  -3.018 -21.645
  557    H    THR  70           H        THR  70  18.065  -6.807 -22.993
  558    HA   THR  70           HA       THR  70  17.092  -8.507 -25.230
  559    HB   THR  70           HB       THR  70  19.312  -9.692 -24.881
  560    HG1  THR  70           HG1      THR  70  20.087  -8.916 -22.947
  561   1HG2  THR  70          HG21      THR  70  18.873  -8.051 -26.728
  562   2HG2  THR  70          HG22      THR  70  19.423  -6.739 -25.663
  563   3HG2  THR  70          HG23      THR  70  20.556  -8.008 -26.178
  564    H    ASP  71           H        ASP  71  17.224  -8.183 -21.709
  565    HA   ASP  71           HA       ASP  71  15.166 -10.174 -21.621
  566   1HB   ASP  71          HB2       ASP  71  17.190 -11.668 -21.421
  567   2HB   ASP  71          HB3       ASP  71  17.674 -10.769 -19.988
  568    H    ILE  72           H        ILE  72  14.155 -10.187 -19.419
  569    HA   ILE  72           HA       ILE  72  14.934  -8.047 -17.586
  570    HB   ILE  72           HB       ILE  72  13.511  -6.849 -19.095
  571   1HG1  ILE  72          HG12      ILE  72  11.834  -7.473 -16.631
  572   2HG1  ILE  72          HG13      ILE  72  13.294  -6.484 -16.613
  573   1HG2  ILE  72          HG21      ILE  72  11.320  -8.928 -18.667
  574   2HG2  ILE  72          HG22      ILE  72  11.193  -7.445 -19.632
  575   3HG2  ILE  72          HG23      ILE  72  12.272  -8.725 -20.153
  576   1HD1  ILE  72          HD11      ILE  72  10.737  -5.836 -18.129
  577   2HD1  ILE  72          HD12      ILE  72  11.365  -5.038 -16.683
  578   3HD1  ILE  72          HD13      ILE  72  12.250  -4.895 -18.215
  579    H    SER  73           H        SER  73  14.220  -8.459 -15.470
  580    HA   SER  73           HA       SER  73  12.874 -11.064 -14.914
  581   1HB   SER  73          HB2       SER  73  15.442 -10.029 -13.621
  582   2HB   SER  73          HB3       SER  73  14.645 -11.576 -13.301
  583    HG   SER  73           HG       SER  73  15.145 -12.204 -15.437
  584    H    VAL  74           H        VAL  74  11.724 -11.035 -12.884
  585    HA   VAL  74           HA       VAL  74  11.549  -8.426 -11.476
  586    HB   VAL  74           HB       VAL  74   9.197 -10.013 -12.598
  587   1HG1  VAL  74          HG11      VAL  74   7.853  -7.998 -11.938
  588   2HG1  VAL  74          HG12      VAL  74   8.518  -8.882 -10.571
  589   3HG1  VAL  74          HG13      VAL  74   9.275  -7.366 -11.081
  590   1HG2  VAL  74          HG21      VAL  74  10.379  -7.393 -13.593
  591   2HG2  VAL  74          HG22      VAL  74  10.271  -8.932 -14.472
  592   3HG2  VAL  74          HG23      VAL  74   8.801  -8.045 -14.084
  593    H    THR  75           H        THR  75  11.001  -8.604  -9.321
  594    HA   THR  75           HA       THR  75   9.839 -11.113  -8.290
  595    HB   THR  75           HB       THR  75  11.853  -9.491  -6.675
  596    HG1  THR  75           HG1      THR  75  12.932 -10.409  -8.465
  597   1HG2  THR  75          HG21      THR  75  11.986 -11.551  -5.314
  598   2HG2  THR  75          HG22      THR  75  10.339 -10.910  -5.379
  599   3HG2  THR  75          HG23      THR  75  10.775 -12.327  -6.363
  600    H    GLU  76           H        GLU  76   8.098 -10.558  -6.858
  601    HA   GLU  76           HA       GLU  76   7.615  -7.642  -6.401
  602   1HB   GLU  76          HB2       GLU  76   5.570  -9.826  -6.983
  603   2HB   GLU  76          HB3       GLU  76   5.213  -8.147  -6.556
  604   1HG   GLU  76          HG2       GLU  76   6.380  -7.386  -8.628
  605   2HG   GLU  76          HG3       GLU  76   6.681  -9.069  -9.067
  606    H    SER  77           H        SER  77   6.932  -7.131  -4.297
  607    HA   SER  77           HA       SER  77   7.014  -9.331  -2.296
  608   1HB   SER  77          HB2       SER  77   8.716  -6.935  -1.794
  609   2HB   SER  77          HB3       SER  77   8.988  -8.628  -1.376
  610    HG   SER  77           HG       SER  77   9.814  -7.125  -3.482
  611    H    ARG  78           H        ARG  78   5.723  -8.922  -0.555
  612    HA   ARG  78           HA       ARG  78   4.421  -6.260  -0.289
  613   1HB   ARG  78          HB2       ARG  78   3.934  -8.905   1.149
  614   2HB   ARG  78          HB3       ARG  78   3.081  -7.386   1.477
  615   1HG   ARG  78          HG2       ARG  78   2.302  -7.319  -0.894
  616   2HG   ARG  78          HG3       ARG  78   3.074  -8.887  -1.179
  617   1HD   ARG  78          HD2       ARG  78   1.656  -9.912   0.576
  618   2HD   ARG  78          HD3       ARG  78   0.861  -8.364   0.859
  619    HE   ARG  78           HE       ARG  78   0.490 -10.223  -1.372
  620   1HH1  ARG  78          HH21      ARG  78  -0.123  -6.909  -0.246
  621   2HH1  ARG  78          HH22      ARG  78  -1.405  -6.617  -1.362
  622   1HH2  ARG  78          HH11      ARG  78  -1.214  -9.834  -2.856
  623   2HH2  ARG  78          HH12      ARG  78  -2.036  -8.320  -2.877
  624    H    SER  79           H        SER  79   6.916  -5.819  -0.074
  625    HA   SER  79           HA       SER  79   7.754  -5.864   2.786
  626   1HB   SER  79          HB2       SER  79   9.526  -6.618   0.428
  627   2HB   SER  79          HB3       SER  79   9.922  -6.691   2.152
  628    HG   SER  79           HG       SER  79   9.368  -8.744   1.387
  629    H    LEU  80           H        LEU  80   7.507  -3.693   3.102
  630    HA   LEU  80           HA       LEU  80   7.965  -1.749   1.017
  631   1HB   LEU  80          HB2       LEU  80   7.583  -1.389   4.031
  632   2HB   LEU  80          HB3       LEU  80   7.582  -0.105   2.848
  633    HG   LEU  80           HG       LEU  80   5.353  -0.456   3.433
  634   1HD1  LEU  80          HD11      LEU  80   5.647  -0.100   1.028
  635   2HD1  LEU  80          HD12      LEU  80   5.690  -1.857   0.745
  636   3HD1  LEU  80          HD13      LEU  80   4.218  -1.083   1.360
  637   1HD2  LEU  80          HD21      LEU  80   5.584  -2.766   4.382
  638   2HD2  LEU  80          HD22      LEU  80   4.112  -2.479   3.449
  639   3HD2  LEU  80          HD23      LEU  80   5.425  -3.410   2.725
  640    H    GLU  81           H        GLU  81   9.596  -0.230   0.864
  641    HA   GLU  81           HA       GLU  81  12.208  -0.841   2.148
  642   1HB   GLU  81          HB2       GLU  81  11.450   1.155  -0.043
  643   2HB   GLU  81          HB3       GLU  81  13.079   0.811   0.546
  644   1HG   GLU  81          HG2       GLU  81  11.283  -1.021  -1.045
  645   2HG   GLU  81          HG3       GLU  81  12.782  -0.263  -1.550
  646    H    GLY  82           H        GLY  82   9.455   1.332   2.258
  647   1HA   GLY  82          HA2       GLY  82   8.894   2.976   3.738
  648   2HA   GLY  82          HA3       GLY  82  10.309   2.564   4.722
  649    H    HIS  83           H        HIS  83  10.886   3.337   1.365
  650    HA   HIS  83           HA       HIS  83  12.527   5.641   2.062
  651   1HB   HIS  83          HB2       HIS  83  11.803   4.199  -0.522
  652   2HB   HIS  83          HB3       HIS  83  12.719   5.697  -0.513
  653    HD1  HIS  83           HD1      HIS  83  13.461   2.903   2.091
  654    HD2  HIS  83           HD2      HIS  83  14.974   4.733  -1.400
  655    HE1  HIS  83           HE1      HIS  83  15.846   2.077   1.818
  656    H    HIS  84           H        HIS  84  12.249   7.736   0.985
  657    HA   HIS  84           HA       HIS  84   9.423   8.472   0.396
  658   1HB   HIS  84          HB2       HIS  84  10.240   8.969   2.767
  659   2HB   HIS  84          HB3       HIS  84  11.366  10.121   2.055
  660    HD1  HIS  84           HD1      HIS  84  10.341  12.544   1.852
  661    HD2  HIS  84           HD2      HIS  84   7.496   9.447   2.090
  662    HE1  HIS  84           HE1      HIS  84   8.063  13.674   1.972
  663    H    ARG  85           H        ARG  85  12.183   8.043  -1.153
  664    HA   ARG  85           HA       ARG  85  11.628  10.118  -3.099
  665   1HB   ARG  85          HB2       ARG  85  13.812  11.040  -3.245
  666   2HB   ARG  85          HB3       ARG  85  13.379  11.140  -1.541
  667   1HG   ARG  85          HG2       ARG  85  14.714   8.966  -1.202
  668   2HG   ARG  85          HG3       ARG  85  15.271   9.145  -2.867
  669   1HD   ARG  85          HD2       ARG  85  15.782  11.002  -0.528
  670   2HD   ARG  85          HD3       ARG  85  16.963  10.012  -1.380
  671    HE   ARG  85           HE       ARG  85  15.870  12.606  -2.142
  672   1HH1  ARG  85          HH21      ARG  85  17.510   9.741  -3.523
  673   2HH1  ARG  85          HH22      ARG  85  18.422  10.681  -4.649
  674   1HH2  ARG  85          HH11      ARG  85  16.953  13.775  -3.769
  675   2HH2  ARG  85          HH12      ARG  85  18.018  12.985  -4.864
  676    H    PHE  86           H        PHE  86  12.908   9.573  -5.135
  677    HA   PHE  86           HA       PHE  86  13.660   6.704  -5.241
  678   1HB   PHE  86          HB2       PHE  86  11.951   7.820  -6.948
  679   2HB   PHE  86          HB3       PHE  86  13.414   8.433  -7.689
  680    HD1  PHE  86           HD2      PHE  86  11.926   5.236  -6.350
  681    HD2  PHE  86           HD1      PHE  86  14.343   7.071  -9.359
  682    HE1  PHE  86           HE2      PHE  86  12.283   3.015  -7.394
  683    HE2  PHE  86           HE1      PHE  86  14.717   4.854 -10.429
  684    HZ   PHE  86           HZ       PHE  86  13.687   2.817  -9.432
  685    H    SER  87           H        SER  87  15.835   6.254  -5.919
  686    HA   SER  87           HA       SER  87  17.699   8.591  -6.078
  687   1HB   SER  87          HB2       SER  87  17.958   6.034  -4.440
  688   2HB   SER  87          HB3       SER  87  19.193   7.297  -4.569
  689    HG   SER  87           HG       SER  87  17.753   7.376  -2.688
  690    H    ILE  88           H        ILE  88  19.867   8.035  -6.928
  691    HA   ILE  88           HA       ILE  88  19.907   5.649  -8.701
  692    HB   ILE  88           HB       ILE  88  21.607   8.139  -9.107
  693   1HG1  ILE  88          HG12      ILE  88  19.126   7.298 -10.653
  694   2HG1  ILE  88          HG13      ILE  88  19.246   8.712  -9.583
  695   1HG2  ILE  88          HG21      ILE  88  22.518   5.945  -9.953
  696   2HG2  ILE  88          HG22      ILE  88  21.035   5.732 -10.912
  697   3HG2  ILE  88          HG23      ILE  88  22.160   7.059 -11.259
  698   1HD1  ILE  88          HD11      ILE  88  19.376   9.493 -11.827
  699   2HD1  ILE  88          HD12      ILE  88  21.005   9.639 -11.132
  700   3HD1  ILE  88          HD13      ILE  88  20.611   8.314 -12.260
  701    H    VAL  89           H        VAL  89  21.572   4.244  -8.218
  702    HA   VAL  89           HA       VAL  89  23.475   4.948  -6.033
  703    HB   VAL  89           HB       VAL  89  21.652   2.510  -6.284
  704   1HG1  VAL  89          HG11      VAL  89  22.517   1.851  -4.051
  705   2HG1  VAL  89          HG12      VAL  89  23.759   1.788  -5.292
  706   3HG1  VAL  89          HG13      VAL  89  23.722   3.151  -4.144
  707   1HG2  VAL  89          HG21      VAL  89  20.393   4.439  -5.465
  708   2HG2  VAL  89          HG22      VAL  89  20.652   3.292  -4.156
  709   3HG2  VAL  89          HG23      VAL  89  21.642   4.767  -4.242
  710    H    TYR  90           H        TYR  90  25.453   3.703  -6.118
  711    HA   TYR  90           HA       TYR  90  25.960   2.242  -8.666
  712   1HB   TYR  90          HB2       TYR  90  27.583   4.526  -7.483
  713   2HB   TYR  90          HB3       TYR  90  28.115   3.513  -8.813
  714    HD1  TYR  90           HD2      TYR  90  26.885   3.495 -10.999
  715    HD2  TYR  90           HD1      TYR  90  26.070   6.394  -7.910
  716    HE1  TYR  90           HE2      TYR  90  25.840   4.980 -12.678
  717    HE2  TYR  90           HE1      TYR  90  25.013   7.885  -9.579
  718    HH   TYR  90           HH       TYR  90  24.497   8.207 -11.819
  719    H    SER  91           H        SER  91  25.808   1.736  -5.483
  720    HA   SER  91           HA       SER  91  28.273   0.733  -4.626
  721   1HB   SER  91          HB2       SER  91  25.522  -0.409  -4.003
  722   2HB   SER  91          HB3       SER  91  26.973  -0.471  -2.992
  723    HG   SER  91           HG       SER  91  25.558   1.208  -2.313
  Start of MODEL   15
    1   1H    MET   1          H1        MET   1  -0.726  -1.327  -0.917
    2   2H    MET   1          H2        MET   1  -1.074   0.183  -1.486
    3   3H    MET   1          H3        MET   1  -0.741  -1.030  -2.532
    4    HA   MET   1           HA       MET   1   1.160   0.330  -2.440
    5   1HB   MET   1          HB2       MET   1   1.219  -0.224   0.560
    6   2HB   MET   1          HB3       MET   1   2.389   0.703  -0.372
    7   1HG   MET   1          HG2       MET   1  -0.486   1.428   0.248
    8   2HG   MET   1          HG3       MET   1   0.964   2.242   0.798
    9   1HE   MET   1          HE1       MET   1   2.071   4.442  -2.136
   10   2HE   MET   1          HE2       MET   1   2.271   3.982  -0.434
   11   3HE   MET   1          HE3       MET   1   2.769   2.861  -1.723
   12    H    LEU   2           H        LEU   2   3.049  -0.741  -3.048
   13    HA   LEU   2           HA       LEU   2   3.505  -3.542  -2.232
   14   1HB   LEU   2          HB2       LEU   2   1.738  -3.588  -3.944
   15   2HB   LEU   2          HB3       LEU   2   2.694  -2.557  -5.004
   16    HG   LEU   2           HG       LEU   2   4.325  -4.405  -5.317
   17   1HD1  LEU   2          HD11      LEU   2   2.352  -6.056  -3.662
   18   2HD1  LEU   2          HD12      LEU   2   3.787  -6.671  -4.510
   19   3HD1  LEU   2          HD13      LEU   2   3.974  -5.589  -3.129
   20   1HD2  LEU   2          HD21      LEU   2   2.883  -5.803  -6.703
   21   2HD2  LEU   2          HD22      LEU   2   1.437  -5.209  -5.859
   22   3HD2  LEU   2          HD23      LEU   2   2.402  -4.106  -6.855
   23    H    GLN   3           H        GLN   3   5.576  -4.329  -3.403
   24    HA   GLN   3           HA       GLN   3   7.341  -2.162  -4.326
   25   1HB   GLN   3          HB2       GLN   3   7.650  -2.530  -1.863
   26   2HB   GLN   3          HB3       GLN   3   8.026  -4.212  -2.157
   27   1HG   GLN   3          HG2       GLN   3   9.732  -2.256  -3.640
   28   2HG   GLN   3          HG3       GLN   3   9.831  -2.163  -1.898
   29   1HE2  GLN   3          HE22      GLN   3  11.218  -3.546  -0.865
   30   2HE2  GLN   3          HE21      GLN   3  11.932  -4.966  -1.619
   31    H    TYR   4           H        TYR   4   8.983  -2.974  -5.787
   32    HA   TYR   4           HA       TYR   4   9.226  -5.852  -6.003
   33   1HB   TYR   4          HB2       TYR   4   9.228  -5.889  -8.491
   34   2HB   TYR   4          HB3       TYR   4   7.668  -5.698  -7.745
   35    HD1  TYR   4           HD1      TYR   4  10.269  -3.071  -8.756
   36    HD2  TYR   4           HD2      TYR   4   6.309  -4.718  -9.308
   37    HE1  TYR   4           HE1      TYR   4   9.758  -1.294 -10.361
   38    HE2  TYR   4           HE2      TYR   4   5.815  -2.956 -10.943
   39    HH   TYR   4           HH       TYR   4   6.580  -1.016 -11.997
   40    H    ARG   5           H        ARG   5  11.113  -6.488  -7.196
   41    HA   ARG   5           HA       ARG   5  13.138  -4.365  -7.661
   42   1HB   ARG   5          HB2       ARG   5  13.682  -6.033  -5.752
   43   2HB   ARG   5          HB3       ARG   5  13.794  -7.267  -7.017
   44   1HG   ARG   5          HG2       ARG   5  15.534  -5.769  -8.157
   45   2HG   ARG   5          HG3       ARG   5  15.482  -4.735  -6.727
   46   1HD   ARG   5          HD2       ARG   5  16.353  -7.643  -6.883
   47   2HD   ARG   5          HD3       ARG   5  17.386  -6.257  -6.593
   48    HE   ARG   5           HE       ARG   5  15.378  -7.426  -4.731
   49   1HH1  ARG   5          HH11      ARG   5  18.169  -5.148  -5.038
   50   2HH1  ARG   5          HH12      ARG   5  18.613  -5.371  -3.389
   51   1HH2  ARG   5          HH21      ARG   5  15.901  -7.463  -2.533
   52   2HH2  ARG   5          HH22      ARG   5  17.236  -6.568  -1.925
   53    H    ILE   6           H        ILE   6  14.002  -4.489  -9.757
   54    HA   ILE   6           HA       ILE   6  13.042  -6.628 -11.550
   55    HB   ILE   6           HB       ILE   6  12.809  -3.618 -12.005
   56   1HG1  ILE   6          HG12      ILE   6  10.824  -5.906 -11.850
   57   2HG1  ILE   6          HG13      ILE   6  10.956  -4.541 -10.756
   58   1HG2  ILE   6          HG21      ILE   6  13.698  -4.707 -14.067
   59   2HG2  ILE   6          HG22      ILE   6  12.312  -5.817 -14.059
   60   3HG2  ILE   6          HG23      ILE   6  12.079  -4.077 -14.289
   61   1HD1  ILE   6          HD11      ILE   6   9.020  -4.244 -12.105
   62   2HD1  ILE   6          HD12      ILE   6  10.214  -3.026 -12.614
   63   3HD1  ILE   6          HD13      ILE   6   9.915  -4.476 -13.608
   64    H    ILE   7           H        ILE   7  14.600  -7.232 -13.011
   65    HA   ILE   7           HA       ILE   7  17.240  -5.850 -12.853
   66    HB   ILE   7           HB       ILE   7  16.808  -8.796 -13.455
   67   1HG1  ILE   7          HG12      ILE   7  16.146  -8.612 -11.146
   68   2HG1  ILE   7          HG13      ILE   7  17.720  -9.370 -11.250
   69   1HG2  ILE   7          HG21      ILE   7  18.845  -7.912 -14.400
   70   2HG2  ILE   7          HG22      ILE   7  19.322  -7.196 -12.849
   71   3HG2  ILE   7          HG23      ILE   7  19.242  -8.965 -13.042
   72   1HD1  ILE   7          HD11      ILE   7  18.779  -7.163 -10.629
   73   2HD1  ILE   7          HD12      ILE   7  17.150  -6.504 -10.397
   74   3HD1  ILE   7          HD13      ILE   7  17.714  -7.840  -9.383
   75    H    VAL   8           H        VAL   8  18.143  -5.416 -14.914
   76    HA   VAL   8           HA       VAL   8  16.550  -6.215 -17.292
   77    HB   VAL   8           HB       VAL   8  17.524  -3.363 -16.889
   78   1HG1  VAL   8          HG11      VAL   8  17.038  -4.174 -19.206
   79   2HG1  VAL   8          HG12      VAL   8  15.389  -4.576 -18.699
   80   3HG1  VAL   8          HG13      VAL   8  15.937  -2.883 -18.708
   81   1HG2  VAL   8          HG21      VAL   8  15.165  -2.694 -16.445
   82   2HG2  VAL   8          HG22      VAL   8  14.727  -4.403 -16.270
   83   3HG2  VAL   8          HG23      VAL   8  15.855  -3.638 -15.123
   84    H    ASP   9           H        ASP   9  17.819  -6.596 -19.082
   85    HA   ASP   9           HA       ASP   9  20.749  -6.131 -18.917
   86   1HB   ASP   9          HB2       ASP   9  20.289  -8.361 -17.993
   87   2HB   ASP   9          HB3       ASP   9  19.315  -8.765 -19.408
   88    H    GLY  10           H        GLY  10  21.770  -6.291 -20.984
   89   1HA   GLY  10          HA2       GLY  10  21.350  -6.685 -23.461
   90   2HA   GLY  10          HA3       GLY  10  19.993  -5.564 -23.264
   91    H    ARG  11           H        ARG  11  21.004  -4.148 -24.746
   92    HA   ARG  11           HA       ARG  11  23.364  -2.560 -23.921
   93   1HB   ARG  11          HB2       ARG  11  22.909  -2.827 -26.310
   94   2HB   ARG  11          HB3       ARG  11  21.242  -2.307 -26.083
   95   1HG   ARG  11          HG2       ARG  11  22.073  -0.038 -25.417
   96   2HG   ARG  11          HG3       ARG  11  23.721  -0.556 -25.800
   97   1HD   ARG  11          HD2       ARG  11  23.210  -0.763 -28.128
   98   2HD   ARG  11          HD3       ARG  11  21.475  -0.847 -27.825
   99    HE   ARG  11           HE       ARG  11  21.330   1.453 -27.432
  100   1HH1  ARG  11          HH21      ARG  11  24.633   0.610 -28.463
  101   2HH1  ARG  11          HH22      ARG  11  25.053   2.240 -28.837
  102   1HH2  ARG  11          HH11      ARG  11  21.858   3.509 -27.873
  103   2HH2  ARG  11          HH12      ARG  11  23.407   3.965 -28.522
  104    H    VAL  12           H        VAL  12  22.551  -2.241 -21.699
  105    HA   VAL  12           HA       VAL  12  20.390  -0.186 -21.541
  106    HB   VAL  12           HB       VAL  12  19.473  -1.317 -19.578
  107   1HG1  VAL  12          HG11      VAL  12  19.568  -3.207 -21.961
  108   2HG1  VAL  12          HG12      VAL  12  18.336  -3.131 -20.698
  109   3HG1  VAL  12          HG13      VAL  12  18.526  -1.774 -21.815
  110   1HG2  VAL  12          HG21      VAL  12  21.510  -2.557 -18.829
  111   2HG2  VAL  12          HG22      VAL  12  20.068  -3.571 -18.936
  112   3HG2  VAL  12          HG23      VAL  12  21.314  -3.668 -20.193
  113    H    GLN  13           H        GLN  13  23.558  -0.350 -21.200
  114    HA   GLN  13           HA       GLN  13  23.498   1.695 -19.094
  115   1HB   GLN  13          HB2       GLN  13  25.596  -0.530 -19.161
  116   2HB   GLN  13          HB3       GLN  13  25.676   0.948 -18.193
  117   1HG   GLN  13          HG2       GLN  13  23.414   0.234 -17.185
  118   2HG   GLN  13          HG3       GLN  13  23.699  -1.345 -17.926
  119   1HE2  GLN  13          HE22      GLN  13  24.783  -2.838 -16.566
  120   2HE2  GLN  13          HE21      GLN  13  25.624  -2.378 -15.112
  121    H    GLY  14           H        GLY  14  25.208   3.279 -19.444
  122   1HA   GLY  14          HA2       GLY  14  26.443   4.653 -20.801
  123   2HA   GLY  14          HA3       GLY  14  26.726   3.305 -21.912
  124    H    VAL  15           H        VAL  15  23.401   4.003 -21.111
  125    HA   VAL  15           HA       VAL  15  22.926   5.478 -23.644
  126    HB   VAL  15           HB       VAL  15  21.054   3.872 -24.125
  127   1HG1  VAL  15          HG11      VAL  15  23.258   3.760 -25.276
  128   2HG1  VAL  15          HG12      VAL  15  23.786   2.541 -24.093
  129   3HG1  VAL  15          HG13      VAL  15  22.415   2.210 -25.168
  130   1HG2  VAL  15          HG21      VAL  15  21.067   1.640 -23.141
  131   2HG2  VAL  15          HG22      VAL  15  22.398   2.068 -22.067
  132   3HG2  VAL  15          HG23      VAL  15  20.807   2.841 -21.876
  133    H    GLY  16           H        GLY  16  22.903   6.247 -20.760
  134   1HA   GLY  16          HA2       GLY  16  21.734   7.730 -19.501
  135   2HA   GLY  16          HA3       GLY  16  20.614   7.910 -20.858
  136    H    PHE  17           H        PHE  17  20.647   4.633 -19.920
  137    HA   PHE  17           HA       PHE  17  17.938   4.781 -19.391
  138   1HB   PHE  17          HB2       PHE  17  19.114   2.780 -20.246
  139   2HB   PHE  17          HB3       PHE  17  19.829   2.526 -18.655
  140    HD1  PHE  17           HD1      PHE  17  16.279   3.431 -19.605
  141    HD2  PHE  17           HD2      PHE  17  18.912   0.458 -17.916
  142    HE1  PHE  17           HE1      PHE  17  14.335   2.085 -18.976
  143    HE2  PHE  17           HE2      PHE  17  16.945  -0.924 -17.323
  144    HZ   PHE  17           HZ       PHE  17  14.649  -0.134 -17.869
  145    H    ARG  18           H        ARG  18  20.565   4.739 -16.947
  146    HA   ARG  18           HA       ARG  18  18.872   4.316 -14.698
  147   1HB   ARG  18          HB2       ARG  18  21.372   6.064 -14.802
  148   2HB   ARG  18          HB3       ARG  18  20.603   5.401 -13.358
  149   1HG   ARG  18          HG2       ARG  18  21.080   3.071 -14.234
  150   2HG   ARG  18          HG3       ARG  18  21.985   3.819 -15.568
  151   1HD   ARG  18          HD2       ARG  18  23.392   5.015 -13.824
  152   2HD   ARG  18          HD3       ARG  18  22.562   4.048 -12.594
  153    HE   ARG  18           HE       ARG  18  23.963   2.665 -14.828
  154   1HH1  ARG  18          HH22      ARG  18  23.982   3.520 -11.325
  155   2HH1  ARG  18          HH21      ARG  18  25.191   2.344 -10.977
  156   1HH2  ARG  18          HH11      ARG  18  25.718   1.209 -14.223
  157   2HH2  ARG  18          HH12      ARG  18  26.379   1.347 -12.600
  158    H    TYR  19           H        TYR  19  19.596   7.327 -16.503
  159    HA   TYR  19           HA       TYR  19  18.106   9.005 -14.663
  160   1HB   TYR  19          HB2       TYR  19  19.033   9.515 -17.518
  161   2HB   TYR  19          HB3       TYR  19  18.336  10.710 -16.438
  162    HD1  TYR  19           HD2      TYR  19  19.541  11.386 -14.326
  163    HD2  TYR  19           HD1      TYR  19  21.381   8.892 -17.329
  164    HE1  TYR  19           HE2      TYR  19  21.762  11.870 -13.354
  165    HE2  TYR  19           HE1      TYR  19  23.610   9.359 -16.357
  166    HH   TYR  19           HH       TYR  19  24.064  11.517 -13.515
  167    H    PHE  20           H        PHE  20  17.372   7.296 -17.765
  168    HA   PHE  20           HA       PHE  20  14.780   8.352 -18.139
  169   1HB   PHE  20          HB2       PHE  20  16.041   6.874 -19.753
  170   2HB   PHE  20          HB3       PHE  20  15.662   5.489 -18.727
  171    HD1  PHE  20           HD2      PHE  20  14.060   8.236 -20.724
  172    HD2  PHE  20           HD1      PHE  20  13.608   4.328 -18.948
  173    HE1  PHE  20           HE2      PHE  20  11.886   7.950 -21.888
  174    HE2  PHE  20           HE1      PHE  20  11.458   4.035 -20.144
  175    HZ   PHE  20           HZ       PHE  20  10.585   5.847 -21.606
  176    H    VAL  21           H        VAL  21  15.796   5.402 -16.339
  177    HA   VAL  21           HA       VAL  21  13.263   4.738 -15.274
  178    HB   VAL  21           HB       VAL  21  16.097   4.246 -14.261
  179   1HG1  VAL  21          HG11      VAL  21  15.235   2.418 -12.941
  180   2HG1  VAL  21          HG12      VAL  21  14.393   3.878 -12.442
  181   3HG1  VAL  21          HG13      VAL  21  13.587   2.703 -13.513
  182   1HG2  VAL  21          HG21      VAL  21  15.592   3.253 -16.505
  183   2HG2  VAL  21          HG22      VAL  21  15.824   2.013 -15.279
  184   3HG2  VAL  21          HG23      VAL  21  14.186   2.440 -15.826
  185    H    GLN  22           H        GLN  22  15.843   6.940 -13.972
  186    HA   GLN  22           HA       GLN  22  14.595   7.469 -11.528
  187   1HB   GLN  22          HB2       GLN  22  16.944   8.242 -12.355
  188   2HB   GLN  22          HB3       GLN  22  16.131   9.557 -13.149
  189   1HG   GLN  22          HG2       GLN  22  16.778  10.498 -11.111
  190   2HG   GLN  22          HG3       GLN  22  15.072  10.122 -10.831
  191   1HE2  GLN  22          HE22      GLN  22  16.661   7.182 -10.819
  192   2HE2  GLN  22          HE21      GLN  22  16.886   7.008  -9.092
  193    H    MET  23           H        MET  23  14.176   9.199 -14.639
  194    HA   MET  23           HA       MET  23  12.385  11.123 -13.472
  195   1HB   MET  23          HB2       MET  23  13.015  10.407 -16.363
  196   2HB   MET  23          HB3       MET  23  12.069  11.817 -15.861
  197   1HG   MET  23          HG2       MET  23  14.914  11.267 -14.894
  198   2HG   MET  23          HG3       MET  23  14.530  12.265 -16.297
  199   1HE   MET  23          HE1       MET  23  16.059  14.145 -15.199
  200   2HE   MET  23          HE2       MET  23  15.804  14.796 -13.564
  201   3HE   MET  23          HE3       MET  23  16.336  13.113 -13.777
  202    H    GLU  24           H        GLU  24  11.892   8.064 -15.291
  203    HA   GLU  24           HA       GLU  24   9.049   8.370 -15.468
  204   1HB   GLU  24          HB2       GLU  24  10.887   5.953 -15.650
  205   2HB   GLU  24          HB3       GLU  24   9.143   5.855 -15.886
  206   1HG   GLU  24          HG2       GLU  24  11.004   7.614 -17.552
  207   2HG   GLU  24          HG3       GLU  24  10.409   6.032 -18.027
  208    H    ALA  25           H        ALA  25  11.157   7.093 -12.876
  209    HA   ALA  25           HA       ALA  25   8.963   6.083 -11.277
  210   1HB   ALA  25          HB1       ALA  25  10.648   6.116  -9.460
  211   2HB   ALA  25          HB2       ALA  25  11.326   5.387 -10.922
  212   3HB   ALA  25          HB3       ALA  25  11.748   7.049 -10.485
  213    H    ASP  26           H        ASP  26  10.808   9.157 -11.406
  214    HA   ASP  26           HA       ASP  26   9.615  10.386  -9.162
  215   1HB   ASP  26          HB2       ASP  26  11.708  11.174 -10.118
  216   2HB   ASP  26          HB3       ASP  26  10.902  11.609 -11.630
  217    H    LYS  27           H        LYS  27   8.739  10.705 -12.678
  218    HA   LYS  27           HA       LYS  27   6.549  12.441 -12.164
  219   1HB   LYS  27          HB2       LYS  27   5.892  12.126 -14.425
  220   2HB   LYS  27          HB3       LYS  27   7.643  12.172 -14.350
  221   1HG   LYS  27          HG2       LYS  27   7.348  10.483 -15.838
  222   2HG   LYS  27          HG3       LYS  27   7.485   9.555 -14.348
  223   1HD   LYS  27          HD2       LYS  27   5.019   9.301 -14.266
  224   2HD   LYS  27          HD3       LYS  27   4.846  10.312 -15.700
  225   1HE   LYS  27          HE2       LYS  27   6.389   7.679 -15.597
  226   2HE   LYS  27          HE3       LYS  27   4.692   7.808 -16.073
  227   1HZ   LYS  27          HZ1       LYS  27   5.353   9.176 -17.951
  228   2HZ   LYS  27          HZ2       LYS  27   6.949   9.110 -17.496
  229   3HZ   LYS  27          HZ3       LYS  27   6.228   7.774 -17.967
  230    H    ARG  28           H        ARG  28   6.843   9.143 -11.384
  231    HA   ARG  28           HA       ARG  28   3.894   8.883 -11.117
  232   1HB   ARG  28          HB2       ARG  28   5.505   7.250 -12.563
  233   2HB   ARG  28          HB3       ARG  28   5.760   6.520 -10.991
  234   1HG   ARG  28          HG2       ARG  28   3.992   5.317 -11.983
  235   2HG   ARG  28          HG3       ARG  28   3.182   6.380 -10.820
  236   1HD   ARG  28          HD2       ARG  28   2.569   7.937 -12.648
  237   2HD   ARG  28          HD3       ARG  28   3.481   6.957 -13.793
  238    HE   ARG  28           HE       ARG  28   1.819   5.355 -13.853
  239   1HH1  ARG  28          HH21      ARG  28   0.908   7.741 -11.379
  240   2HH1  ARG  28          HH22      ARG  28  -0.636   7.035 -11.099
  241   1HH2  ARG  28          HH11      ARG  28  -0.104   4.383 -13.438
  242   2HH2  ARG  28          HH12      ARG  28  -1.265   5.077 -12.346
  243    H    LYS  29           H        LYS  29   6.246  10.042  -9.326
  244    HA   LYS  29           HA       LYS  29   6.761  10.230  -7.166
  245   1HB   LYS  29          HB2       LYS  29   3.831   9.518  -6.759
  246   2HB   LYS  29          HB3       LYS  29   4.842  10.385  -5.618
  247   1HG   LYS  29          HG2       LYS  29   3.986  11.375  -8.372
  248   2HG   LYS  29          HG3       LYS  29   3.329  11.887  -6.827
  249   1HD   LYS  29          HD2       LYS  29   6.186  12.377  -7.774
  250   2HD   LYS  29          HD3       LYS  29   4.865  13.548  -7.771
  251   1HE   LYS  29          HE2       LYS  29   4.686  13.339  -5.292
  252   2HE   LYS  29          HE3       LYS  29   6.048  12.211  -5.295
  253   1HZ   LYS  29          HZ1       LYS  29   6.173  15.037  -6.179
  254   2HZ   LYS  29          HZ2       LYS  29   6.761  14.453  -4.780
  255   3HZ   LYS  29          HZ3       LYS  29   7.435  13.996  -6.191
  256    H    LEU  30           H        LEU  30   7.415   7.611  -8.177
  257    HA   LEU  30           HA       LEU  30   6.855   5.720  -5.976
  258   1HB   LEU  30          HB2       LEU  30   8.767   5.574  -8.334
  259   2HB   LEU  30          HB3       LEU  30   8.468   4.267  -7.192
  260    HG   LEU  30           HG       LEU  30   6.393   5.483  -9.067
  261   1HD1  LEU  30          HD11      LEU  30   8.061   4.171 -10.261
  262   2HD1  LEU  30          HD12      LEU  30   7.849   2.817  -9.136
  263   3HD1  LEU  30          HD13      LEU  30   6.517   3.301 -10.205
  264   1HD2  LEU  30          HD21      LEU  30   4.982   3.530  -8.419
  265   2HD2  LEU  30          HD22      LEU  30   6.168   3.115  -7.167
  266   3HD2  LEU  30          HD23      LEU  30   5.255   4.645  -7.081
  267    H    ALA  31           H        ALA  31   8.784   4.695  -4.850
  268    HA   ALA  31           HA       ALA  31  11.122   6.467  -4.530
  269   1HB   ALA  31          HB1       ALA  31   9.467   5.370  -2.219
  270   2HB   ALA  31          HB2       ALA  31  11.069   6.117  -2.056
  271   3HB   ALA  31          HB3       ALA  31   9.698   7.084  -2.635
  272    H    GLY  32           H        GLY  32  13.034   5.257  -3.776
  273   1HA   GLY  32          HA2       GLY  32  13.630   2.688  -3.391
  274   2HA   GLY  32          HA3       GLY  32  12.876   2.583  -4.982
  275    H    TRP  33           H        TRP  33  14.933   1.906  -5.954
  276    HA   TRP  33           HA       TRP  33  16.777   4.143  -6.436
  277   1HB   TRP  33          HB2       TRP  33  18.763   2.809  -5.988
  278   2HB   TRP  33          HB3       TRP  33  17.802   3.062  -4.556
  279    HD1  TRP  33           HD1      TRP  33  18.151   0.159  -7.175
  280    HE1  TRP  33           HE1      TRP  33  18.320  -2.073  -5.887
  281    HE3  TRP  33           HE3      TRP  33  17.586   1.917  -2.385
  282    HZ2  TRP  33           HZ2      TRP  33  18.408  -2.928  -3.179
  283    HZ3  TRP  33           HZ3      TRP  33  17.734   0.356  -0.465
  284    HH2  TRP  33           HH2      TRP  33  18.160  -2.066  -0.840
  285    H    VAL  34           H        VAL  34  18.226   3.835  -8.237
  286    HA   VAL  34           HA       VAL  34  17.966   1.267  -9.687
  287    HB   VAL  34           HB       VAL  34  16.626   2.743 -10.995
  288   1HG1  VAL  34          HG11      VAL  34  17.489   4.944 -10.288
  289   2HG1  VAL  34          HG12      VAL  34  18.979   4.663 -11.208
  290   3HG1  VAL  34          HG13      VAL  34  17.420   4.798 -12.049
  291   1HG2  VAL  34          HG21      VAL  34  17.702   2.561 -13.156
  292   2HG2  VAL  34          HG22      VAL  34  19.307   2.459 -12.412
  293   3HG2  VAL  34          HG23      VAL  34  18.137   1.145 -12.183
  294    H    LYS  35           H        LYS  35  19.905   0.392 -10.304
  295    HA   LYS  35           HA       LYS  35  22.424   1.882 -10.167
  296   1HB   LYS  35          HB2       LYS  35  23.297   0.564  -8.303
  297   2HB   LYS  35          HB3       LYS  35  21.933   1.568  -7.797
  298   1HG   LYS  35          HG2       LYS  35  20.433  -0.332  -7.734
  299   2HG   LYS  35          HG3       LYS  35  21.646  -1.380  -8.447
  300   1HD   LYS  35          HD2       LYS  35  23.123  -0.782  -6.361
  301   2HD   LYS  35          HD3       LYS  35  21.625  -0.118  -5.684
  302   1HE   LYS  35          HE2       LYS  35  21.758  -2.367  -4.880
  303   2HE   LYS  35          HE3       LYS  35  20.530  -2.357  -6.143
  304   1HZ   LYS  35          HZ1       LYS  35  23.183  -3.570  -6.182
  305   2HZ   LYS  35          HZ2       LYS  35  21.743  -4.149  -6.753
  306   3HZ   LYS  35          HZ3       LYS  35  22.596  -3.032  -7.616
  307    H    ASN  36           H        ASN  36  24.334   0.167 -10.310
  308    HA   ASN  36           HA       ASN  36  23.757  -1.936 -12.283
  309   1HB   ASN  36          HB2       ASN  36  25.908  -0.670 -12.186
  310   2HB   ASN  36          HB3       ASN  36  26.224  -1.349 -10.591
  311   1HD2  ASN  36          HD22      ASN  36  27.593  -3.119 -10.638
  312   2HD2  ASN  36          HD21      ASN  36  27.674  -4.256 -11.958
  313    H    ARG  37           H        ARG  37  24.340  -4.242 -11.759
  314    HA   ARG  37           HA       ARG  37  24.186  -4.976  -8.879
  315   1HB   ARG  37          HB2       ARG  37  22.027  -5.395 -10.199
  316   2HB   ARG  37          HB3       ARG  37  22.917  -6.563 -11.165
  317   1HG   ARG  37          HG2       ARG  37  23.333  -7.956  -9.213
  318   2HG   ARG  37          HG3       ARG  37  22.697  -6.708  -8.119
  319   1HD   ARG  37          HD2       ARG  37  20.455  -6.966  -9.031
  320   2HD   ARG  37          HD3       ARG  37  21.046  -8.068 -10.279
  321    HE   ARG  37           HE       ARG  37  21.150  -9.796  -8.789
  322   1HH1  ARG  37          HH22      ARG  37  20.444  -6.812  -6.918
  323   2HH1  ARG  37          HH21      ARG  37  20.077  -7.690  -5.476
  324   1HH2  ARG  37          HH11      ARG  37  20.625 -10.901  -6.867
  325   2HH2  ARG  37          HH12      ARG  37  20.154 -10.042  -5.452
  326    H    ASP  38           H        ASP  38  25.474  -6.883  -8.407
  327    HA   ASP  38           HA       ASP  38  28.011  -6.559  -9.363
  328   1HB   ASP  38          HB2       ASP  38  27.460  -7.578  -7.219
  329   2HB   ASP  38          HB3       ASP  38  26.812  -9.008  -8.028
  330    H    ASP  39           H        ASP  39  25.650  -8.887 -10.645
  331    HA   ASP  39           HA       ASP  39  27.458 -10.437 -12.230
  332   1HB   ASP  39          HB2       ASP  39  25.174 -11.146 -11.622
  333   2HB   ASP  39          HB3       ASP  39  24.498  -9.847 -12.610
  334    H    GLY  40           H        GLY  40  26.274  -7.209 -12.660
  335   1HA   GLY  40          HA2       GLY  40  27.320  -5.758 -14.211
  336   2HA   GLY  40          HA3       GLY  40  27.360  -7.039 -15.428
  337    H    ARG  41           H        ARG  41  24.346  -7.021 -13.750
  338    HA   ARG  41           HA       ARG  41  23.019  -5.904 -16.158
  339   1HB   ARG  41          HB2       ARG  41  21.751  -7.213 -13.716
  340   2HB   ARG  41          HB3       ARG  41  20.993  -6.858 -15.257
  341   1HG   ARG  41          HG2       ARG  41  22.867  -9.096 -14.551
  342   2HG   ARG  41          HG3       ARG  41  21.278  -9.141 -15.291
  343   1HD   ARG  41          HD2       ARG  41  22.362  -9.534 -17.214
  344   2HD   ARG  41          HD3       ARG  41  22.688  -7.797 -17.236
  345    HE   ARG  41           HE       ARG  41  24.557  -9.659 -15.849
  346   1HH1  ARG  41          HH11      ARG  41  23.958  -7.981 -18.944
  347   2HH1  ARG  41          HH12      ARG  41  25.640  -7.842 -19.326
  348   1HH2  ARG  41          HH21      ARG  41  26.773  -9.368 -16.326
  349   2HH2  ARG  41          HH22      ARG  41  27.254  -8.784 -17.885
  350    H    VAL  42           H        VAL  42  20.916  -4.618 -15.497
  351    HA   VAL  42           HA       VAL  42  21.703  -2.531 -13.501
  352    HB   VAL  42           HB       VAL  42  19.558  -2.497 -15.673
  353   1HG1  VAL  42          HG11      VAL  42  18.807  -1.158 -13.739
  354   2HG1  VAL  42          HG12      VAL  42  20.381  -0.339 -13.659
  355   3HG1  VAL  42          HG13      VAL  42  19.300  -0.086 -15.049
  356   1HG2  VAL  42          HG21      VAL  42  21.867  -2.234 -16.545
  357   2HG2  VAL  42          HG22      VAL  42  20.969  -0.716 -16.660
  358   3HG2  VAL  42          HG23      VAL  42  22.165  -0.942 -15.361
  359    H    GLU  43           H        GLU  43  20.307  -2.185 -11.771
  360    HA   GLU  43           HA       GLU  43  18.081  -4.108 -11.356
  361   1HB   GLU  43          HB2       GLU  43  19.902  -4.876  -9.990
  362   2HB   GLU  43          HB3       GLU  43  20.262  -3.231  -9.425
  363   1HG   GLU  43          HG2       GLU  43  17.922  -3.215  -8.371
  364   2HG   GLU  43          HG3       GLU  43  17.824  -4.935  -8.762
  365    H    ILE  44           H        ILE  44  16.277  -3.106 -10.832
  366    HA   ILE  44           HA       ILE  44  16.239  -0.268  -9.945
  367    HB   ILE  44           HB       ILE  44  14.277  -1.877 -11.637
  368   1HG1  ILE  44          HG12      ILE  44  16.002   0.386 -12.725
  369   2HG1  ILE  44          HG13      ILE  44  16.520  -1.288 -12.832
  370   1HG2  ILE  44          HG21      ILE  44  14.331   1.102 -11.032
  371   2HG2  ILE  44          HG22      ILE  44  13.132   0.275 -12.044
  372   3HG2  ILE  44          HG23      ILE  44  13.204  -0.072 -10.321
  373   1HD1  ILE  44          HD11      ILE  44  13.994  -0.217 -14.055
  374   2HD1  ILE  44          HD12      ILE  44  15.474  -0.750 -14.876
  375   3HD1  ILE  44          HD13      ILE  44  14.493  -1.932 -13.974
  376    H    LEU  45           H        LEU  45  14.874  -0.003  -8.082
  377    HA   LEU  45           HA       LEU  45  13.198  -2.287  -7.236
  378   1HB   LEU  45          HB2       LEU  45  15.548  -2.441  -6.200
  379   2HB   LEU  45          HB3       LEU  45  15.179  -0.954  -5.338
  380    HG   LEU  45           HG       LEU  45  13.614  -3.575  -5.136
  381   1HD1  LEU  45          HD11      LEU  45  15.507  -2.299  -3.130
  382   2HD1  LEU  45          HD12      LEU  45  14.676  -3.864  -2.978
  383   3HD1  LEU  45          HD13      LEU  45  15.932  -3.647  -4.206
  384   1HD2  LEU  45          HD21      LEU  45  12.812  -2.355  -2.943
  385   2HD2  LEU  45          HD22      LEU  45  13.269  -0.880  -3.813
  386   3HD2  LEU  45          HD23      LEU  45  12.034  -1.972  -4.476
  387    H    ALA  46           H        ALA  46  11.209  -1.395  -6.675
  388    HA   ALA  46           HA       ALA  46  11.122   1.455  -5.894
  389   1HB   ALA  46          HB1       ALA  46  10.992   1.456  -8.369
  390   2HB   ALA  46          HB2       ALA  46   9.615   0.332  -8.295
  391   3HB   ALA  46          HB3       ALA  46   9.468   1.970  -7.625
  392    H    GLU  47           H        GLU  47   9.330   2.010  -4.770
  393    HA   GLU  47           HA       GLU  47   7.268  -0.038  -4.134
  394   1HB   GLU  47          HB2       GLU  47   8.962   0.311  -2.373
  395   2HB   GLU  47          HB3       GLU  47   8.628   2.040  -2.356
  396   1HG   GLU  47          HG2       GLU  47   6.685  -0.177  -1.618
  397   2HG   GLU  47          HG3       GLU  47   7.663   0.721  -0.484
  398    H    GLY  48           H        GLY  48   5.147   0.741  -4.028
  399   1HA   GLY  48          HA2       GLY  48   4.281   3.339  -3.727
  400   2HA   GLY  48          HA3       GLY  48   4.502   3.151  -5.471
  401    HA   PRO  49           HA       PRO  49   0.198   1.499  -4.579
  402   1HB   PRO  49          HB2       PRO  49  -0.189   3.247  -6.998
  403   2HB   PRO  49          HB3       PRO  49  -1.283   2.993  -5.607
  404   1HG   PRO  49          HG2       PRO  49   0.171   5.282  -5.844
  405   2HG   PRO  49          HG3       PRO  49  -0.029   4.490  -4.247
  406   1HD   PRO  49          HD2       PRO  49   2.331   4.325  -6.139
  407   2HD   PRO  49          HD3       PRO  49   2.320   4.571  -4.371
  408    H    GLU  50           H        GLU  50  -0.491  -0.293  -5.785
  409    HA   GLU  50           HA       GLU  50   1.289  -1.560  -7.496
  410   1HB   GLU  50          HB2       GLU  50  -1.718  -2.050  -7.587
  411   2HB   GLU  50          HB3       GLU  50  -0.402  -3.151  -8.014
  412   1HG   GLU  50          HG2       GLU  50  -1.038  -3.977  -5.976
  413   2HG   GLU  50          HG3       GLU  50   0.338  -2.965  -5.563
  414    H    ASN  51           H        ASN  51  -1.491   0.517  -8.437
  415    HA   ASN  51           HA       ASN  51  -1.307   0.032 -11.244
  416   1HB   ASN  51          HB2       ASN  51  -3.277   1.075 -10.179
  417   2HB   ASN  51          HB3       ASN  51  -2.311   2.486  -9.742
  418   1HD2  ASN  51          HD22      ASN  51  -3.317   4.085 -11.010
  419   2HD2  ASN  51          HD21      ASN  51  -3.489   3.976 -12.742
  420    H    ALA  52           H        ALA  52   0.247   2.499  -9.166
  421    HA   ALA  52           HA       ALA  52   1.563   3.957 -11.249
  422   1HB   ALA  52          HB1       ALA  52   3.040   4.722  -9.366
  423   2HB   ALA  52          HB2       ALA  52   1.312   4.883  -8.989
  424   3HB   ALA  52          HB3       ALA  52   2.271   3.548  -8.306
  425    H    LEU  53           H        LEU  53   2.541   1.167  -9.227
  426    HA   LEU  53           HA       LEU  53   5.133   0.893 -10.375
  427   1HB   LEU  53          HB2       LEU  53   3.262  -0.955  -8.865
  428   2HB   LEU  53          HB3       LEU  53   4.798  -1.532  -9.468
  429    HG   LEU  53           HG       LEU  53   4.554   0.880  -7.626
  430   1HD1  LEU  53          HD11      LEU  53   5.121  -2.048  -6.985
  431   2HD1  LEU  53          HD12      LEU  53   5.337  -0.687  -5.867
  432   3HD1  LEU  53          HD13      LEU  53   3.720  -1.072  -6.466
  433   1HD2  LEU  53          HD21      LEU  53   6.932   0.558  -7.204
  434   2HD2  LEU  53          HD22      LEU  53   6.976  -0.866  -8.258
  435   3HD2  LEU  53          HD23      LEU  53   6.703   0.746  -8.943
  436    H    GLN  54           H        GLN  54   1.951  -0.530 -11.387
  437    HA   GLN  54           HA       GLN  54   3.109  -2.142 -13.445
  438   1HB   GLN  54          HB2       GLN  54   0.336  -0.930 -13.120
  439   2HB   GLN  54          HB3       GLN  54   0.776  -1.934 -14.498
  440   1HG   GLN  54          HG2       GLN  54   0.908  -2.826 -11.586
  441   2HG   GLN  54          HG3       GLN  54  -0.371  -3.226 -12.721
  442   1HE2  GLN  54          HE22      GLN  54   2.504  -4.377 -11.374
  443   2HE2  GLN  54          HE21      GLN  54   2.913  -5.559 -12.589
  444    H    SER  55           H        SER  55   1.838   1.279 -13.601
  445    HA   SER  55           HA       SER  55   2.489   1.713 -16.314
  446   1HB   SER  55          HB2       SER  55   2.920   3.724 -14.081
  447   2HB   SER  55          HB3       SER  55   2.564   4.057 -15.780
  448    HG   SER  55           HG       SER  55   0.502   3.020 -15.404
  449    H    PHE  56           H        PHE  56   4.581   1.805 -13.395
  450    HA   PHE  56           HA       PHE  56   6.841   2.751 -14.837
  451   1HB   PHE  56          HB2       PHE  56   6.456   3.107 -12.463
  452   2HB   PHE  56          HB3       PHE  56   6.664   1.396 -12.138
  453    HD1  PHE  56           HD2      PHE  56   8.560   4.033 -14.097
  454    HD2  PHE  56           HD1      PHE  56   8.689   1.022 -11.007
  455    HE1  PHE  56           HE2      PHE  56  10.963   4.505 -13.711
  456    HE2  PHE  56           HE1      PHE  56  11.083   1.504 -10.637
  457    HZ   PHE  56           HZ       PHE  56  12.197   3.292 -11.927
  458    H    VAL  57           H        VAL  57   5.662  -0.636 -14.226
  459    HA   VAL  57           HA       VAL  57   8.059  -1.802 -15.329
  460    HB   VAL  57           HB       VAL  57   5.277  -2.995 -15.643
  461   1HG1  VAL  57          HG11      VAL  57   7.050  -4.038 -17.017
  462   2HG1  VAL  57          HG12      VAL  57   8.071  -4.225 -15.578
  463   3HG1  VAL  57          HG13      VAL  57   6.546  -5.127 -15.724
  464   1HG2  VAL  57          HG21      VAL  57   5.536  -2.693 -13.263
  465   2HG2  VAL  57          HG22      VAL  57   5.870  -4.378 -13.607
  466   3HG2  VAL  57          HG23      VAL  57   7.221  -3.264 -13.314
  467    H    GLU  58           H        GLU  58   4.973  -0.597 -16.811
  468    HA   GLU  58           HA       GLU  58   5.657  -1.318 -19.450
  469   1HB   GLU  58          HB2       GLU  58   3.874   0.919 -18.423
  470   2HB   GLU  58          HB3       GLU  58   4.048   0.503 -20.129
  471   1HG   GLU  58          HG2       GLU  58   3.316  -1.820 -19.645
  472   2HG   GLU  58          HG3       GLU  58   3.066  -1.392 -17.954
  473    H    ALA  59           H        ALA  59   6.569   1.588 -17.582
  474    HA   ALA  59           HA       ALA  59   7.959   2.865 -19.717
  475   1HB   ALA  59          HB1       ALA  59   9.040   4.164 -17.944
  476   2HB   ALA  59          HB2       ALA  59   7.294   4.043 -17.656
  477   3HB   ALA  59          HB3       ALA  59   8.431   3.055 -16.709
  478    H    VAL  60           H        VAL  60   9.154   0.750 -17.027
  479    HA   VAL  60           HA       VAL  60  11.875   0.901 -17.735
  480    HB   VAL  60           HB       VAL  60  10.195  -0.995 -16.062
  481   1HG1  VAL  60          HG11      VAL  60  13.217  -1.097 -16.349
  482   2HG1  VAL  60          HG12      VAL  60  12.271  -1.897 -15.075
  483   3HG1  VAL  60          HG13      VAL  60  12.069  -2.385 -16.758
  484   1HG2  VAL  60          HG21      VAL  60  12.345   1.041 -15.298
  485   2HG2  VAL  60          HG22      VAL  60  10.614   1.378 -15.269
  486   3HG2  VAL  60          HG23      VAL  60  11.278   0.150 -14.192
  487    H    LYS  61           H        LYS  61   9.369  -1.502 -18.715
  488    HA   LYS  61           HA       LYS  61  11.225  -3.247 -19.955
  489   1HB   LYS  61          HB2       LYS  61   9.387  -4.438 -20.800
  490   2HB   LYS  61          HB3       LYS  61   8.889  -3.819 -19.226
  491   1HG   LYS  61          HG2       LYS  61   7.622  -1.997 -20.374
  492   2HG   LYS  61          HG3       LYS  61   8.107  -2.665 -21.943
  493   1HD   LYS  61          HD2       LYS  61   6.994  -4.850 -21.256
  494   2HD   LYS  61          HD3       LYS  61   6.421  -4.028 -19.804
  495   1HE   LYS  61          HE2       LYS  61   4.615  -4.004 -21.355
  496   2HE   LYS  61          HE3       LYS  61   5.233  -2.353 -21.279
  497   1HZ   LYS  61          HZ1       LYS  61   5.839  -4.312 -23.424
  498   2HZ   LYS  61          HZ2       LYS  61   4.802  -3.066 -23.551
  499   3HZ   LYS  61          HZ3       LYS  61   6.394  -2.772 -23.380
  500    H    ASN  62           H        ASN  62  10.233  -0.130 -21.064
  501    HA   ASN  62           HA       ASN  62  10.624  -0.623 -23.904
  502   1HB   ASN  62          HB2       ASN  62   9.366   1.348 -22.995
  503   2HB   ASN  62          HB3       ASN  62  10.869   1.968 -22.307
  504   1HD2  ASN  62          HD22      ASN  62  12.275   3.118 -23.615
  505   2HD2  ASN  62          HD21      ASN  62  11.979   3.422 -25.323
  506    H    GLY  63           H        GLY  63  12.760  -0.096 -21.125
  507   1HA   GLY  63          HA2       GLY  63  15.047   0.333 -20.990
  508   2HA   GLY  63          HA3       GLY  63  15.207   0.156 -22.739
  509    H    SER  64           H        SER  64  16.532   2.348 -22.121
  510    HA   SER  64           HA       SER  64  14.797   4.710 -22.174
  511   1HB   SER  64          HB2       SER  64  16.794   5.967 -22.689
  512   2HB   SER  64          HB3       SER  64  17.133   4.868 -21.353
  513    HG   SER  64           HG       SER  64  18.803   4.876 -22.892
  514    HA   PRO  65           HA       PRO  65  14.094   4.833 -26.690
  515   1HB   PRO  65          HB2       PRO  65  15.367   7.562 -26.351
  516   2HB   PRO  65          HB3       PRO  65  13.969   7.100 -27.375
  517   1HG   PRO  65          HG2       PRO  65  13.550   8.257 -24.964
  518   2HG   PRO  65          HG3       PRO  65  12.557   6.847 -25.459
  519   1HD   PRO  65          HD2       PRO  65  14.895   6.925 -23.557
  520   2HD   PRO  65          HD3       PRO  65  13.382   5.960 -23.474
  521    H    PHE  66           H        PHE  66  17.241   5.021 -25.197
  522    HA   PHE  66           HA       PHE  66  18.621   4.757 -27.823
  523   1HB   PHE  66          HB2       PHE  66  19.828   5.530 -25.156
  524   2HB   PHE  66          HB3       PHE  66  20.564   5.658 -26.746
  525    HD1  PHE  66           HD1      PHE  66  19.388   7.295 -28.456
  526    HD2  PHE  66           HD2      PHE  66  18.718   7.370 -24.192
  527    HE1  PHE  66           HE1      PHE  66  18.503   9.609 -28.630
  528    HE2  PHE  66           HE2      PHE  66  17.830   9.680 -24.375
  529    HZ   PHE  66           HZ       PHE  66  17.719  10.804 -26.593
  530    H    SER  67           H        SER  67  17.495   2.919 -25.214
  531    HA   SER  67           HA       SER  67  19.772   1.099 -24.937
  532   1HB   SER  67          HB2       SER  67  16.884   1.013 -23.969
  533   2HB   SER  67          HB3       SER  67  18.133  -0.137 -23.494
  534    HG   SER  67           HG       SER  67  18.331   2.674 -23.043
  535    H    LYS  68           H        LYS  68  19.332  -1.238 -25.157
  536    HA   LYS  68           HA       LYS  68  16.992  -2.079 -26.658
  537   1HB   LYS  68          HB2       LYS  68  18.723  -2.011 -28.453
  538   2HB   LYS  68          HB3       LYS  68  19.737  -3.109 -27.508
  539   1HG   LYS  68          HG2       LYS  68  17.826  -4.779 -27.525
  540   2HG   LYS  68          HG3       LYS  68  16.958  -3.707 -28.621
  541   1HD   LYS  68          HD2       LYS  68  19.663  -5.030 -29.115
  542   2HD   LYS  68          HD3       LYS  68  18.133  -5.575 -29.782
  543   1HE   LYS  68          HE2       LYS  68  19.450  -2.880 -30.378
  544   2HE   LYS  68          HE3       LYS  68  19.555  -4.310 -31.401
  545   1HZ   LYS  68          HZ1       LYS  68  17.043  -2.870 -30.776
  546   2HZ   LYS  68          HZ2       LYS  68  17.848  -2.829 -32.190
  547   3HZ   LYS  68          HZ3       LYS  68  17.153  -4.216 -31.701
  548    H    VAL  69           H        VAL  69  16.309  -2.651 -24.572
  549    HA   VAL  69           HA       VAL  69  17.754  -4.486 -22.862
  550    HB   VAL  69           HB       VAL  69  16.056  -3.231 -21.833
  551   1HG1  VAL  69          HG11      VAL  69  14.030  -4.164 -23.899
  552   2HG1  VAL  69          HG12      VAL  69  13.680  -3.229 -22.434
  553   3HG1  VAL  69          HG13      VAL  69  14.660  -2.510 -23.700
  554   1HG2  VAL  69          HG21      VAL  69  14.836  -6.004 -22.218
  555   2HG2  VAL  69          HG22      VAL  69  16.133  -5.586 -21.080
  556   3HG2  VAL  69          HG23      VAL  69  14.523  -4.879 -20.891
  557    H    THR  70           H        THR  70  17.933  -6.673 -23.071
  558    HA   THR  70           HA       THR  70  16.416  -8.017 -25.257
  559    HB   THR  70           HB       THR  70  18.402  -9.516 -25.394
  560    HG1  THR  70           HG1      THR  70  20.222  -9.015 -24.300
  561   1HG2  THR  70          HG21      THR  70  19.835  -7.962 -26.625
  562   2HG2  THR  70          HG22      THR  70  18.142  -7.537 -26.928
  563   3HG2  THR  70          HG23      THR  70  19.108  -6.571 -25.794
  564    H    ASP  71           H        ASP  71  17.050  -7.910 -21.805
  565    HA   ASP  71           HA       ASP  71  15.097 -10.056 -21.444
  566   1HB   ASP  71          HB2       ASP  71  17.185 -11.348 -21.516
  567   2HB   ASP  71          HB3       ASP  71  17.934 -10.261 -20.352
  568    H    ILE  72           H        ILE  72  14.059  -9.877 -19.443
  569    HA   ILE  72           HA       ILE  72  14.919  -7.907 -17.476
  570    HB   ILE  72           HB       ILE  72  13.677  -6.511 -18.957
  571   1HG1  ILE  72          HG12      ILE  72  11.788  -7.201 -16.670
  572   2HG1  ILE  72          HG13      ILE  72  13.287  -6.289 -16.490
  573   1HG2  ILE  72          HG21      ILE  72  11.336  -8.460 -18.865
  574   2HG2  ILE  72          HG22      ILE  72  11.375  -6.902 -19.711
  575   3HG2  ILE  72          HG23      ILE  72  12.411  -8.203 -20.256
  576   1HD1  ILE  72          HD11      ILE  72  10.860  -5.427 -18.112
  577   2HD1  ILE  72          HD12      ILE  72  11.436  -4.748 -16.590
  578   3HD1  ILE  72          HD13      ILE  72  12.415  -4.556 -18.059
  579    H    SER  73           H        SER  73  14.066  -8.377 -15.419
  580    HA   SER  73           HA       SER  73  12.407 -10.826 -15.062
  581   1HB   SER  73          HB2       SER  73  15.105 -10.232 -13.744
  582   2HB   SER  73          HB3       SER  73  14.048 -11.604 -13.372
  583    HG   SER  73           HG       SER  73  15.728 -12.165 -14.823
  584    H    VAL  74           H        VAL  74  11.317 -10.828 -12.962
  585    HA   VAL  74           HA       VAL  74  11.324  -8.235 -11.502
  586    HB   VAL  74           HB       VAL  74   8.868  -9.682 -12.596
  587   1HG1  VAL  74          HG11      VAL  74   9.096  -7.045 -11.078
  588   2HG1  VAL  74          HG12      VAL  74   7.631  -7.632 -11.885
  589   3HG1  VAL  74          HG13      VAL  74   8.305  -8.533 -10.532
  590   1HG2  VAL  74          HG21      VAL  74   8.545  -7.668 -14.050
  591   2HG2  VAL  74          HG22      VAL  74  10.179  -7.131 -13.611
  592   3HG2  VAL  74          HG23      VAL  74   9.937  -8.650 -14.493
  593    H    THR  75           H        THR  75  10.895  -8.449  -9.318
  594    HA   THR  75           HA       THR  75   9.790 -10.983  -8.247
  595    HB   THR  75           HB       THR  75  12.170  -9.516  -7.016
  596    HG1  THR  75           HG1      THR  75  12.850 -10.493  -8.915
  597   1HG2  THR  75          HG21      THR  75  12.395 -11.579  -5.667
  598   2HG2  THR  75          HG22      THR  75  10.828 -10.804  -5.410
  599   3HG2  THR  75          HG23      THR  75  10.937 -12.249  -6.439
  600    H    GLU  76           H        GLU  76   7.888 -10.251  -7.298
  601    HA   GLU  76           HA       GLU  76   7.624  -7.509  -6.312
  602   1HB   GLU  76          HB2       GLU  76   5.354  -8.150  -5.764
  603   2HB   GLU  76          HB3       GLU  76   5.733  -8.572  -7.432
  604   1HG   GLU  76          HG2       GLU  76   6.089 -10.953  -6.724
  605   2HG   GLU  76          HG3       GLU  76   5.653 -10.509  -5.073
  606    H    SER  77           H        SER  77   7.091  -7.071  -4.083
  607    HA   SER  77           HA       SER  77   7.499  -9.001  -1.956
  608   1HB   SER  77          HB2       SER  77   9.587  -6.854  -2.553
  609   2HB   SER  77          HB3       SER  77   9.467  -7.680  -0.993
  610    HG   SER  77           HG       SER  77   9.527  -9.285  -3.252
  611    H    ARG  78           H        ARG  78   7.475  -7.681   0.223
  612    HA   ARG  78           HA       ARG  78   5.960  -5.125  -0.071
  613   1HB   ARG  78          HB2       ARG  78   5.329  -7.404   1.848
  614   2HB   ARG  78          HB3       ARG  78   4.593  -5.796   1.898
  615   1HG   ARG  78          HG2       ARG  78   3.741  -6.114  -0.426
  616   2HG   ARG  78          HG3       ARG  78   4.347  -7.775  -0.411
  617   1HD   ARG  78          HD2       ARG  78   2.309  -6.621   1.538
  618   2HD   ARG  78          HD3       ARG  78   1.920  -7.601   0.113
  619    HE   ARG  78           HE       ARG  78   3.711  -9.156   1.522
  620   1HH1  ARG  78          HH21      ARG  78   0.548  -7.718   2.246
  621   2HH1  ARG  78          HH22      ARG  78   0.095  -8.931   3.383
  622   1HH2  ARG  78          HH11      ARG  78   3.115 -10.772   3.047
  623   2HH2  ARG  78          HH12      ARG  78   1.589 -10.710   3.840
  624    H    SER  79           H        SER  79   8.821  -5.702   0.345
  625    HA   SER  79           HA       SER  79   9.404  -4.823   3.105
  626   1HB   SER  79          HB2       SER  79  11.299  -5.409   0.793
  627   2HB   SER  79          HB3       SER  79  11.718  -5.220   2.503
  628    HG   SER  79           HG       SER  79  10.566  -7.123   2.940
  629    H    LEU  80           H        LEU  80   8.156  -2.869   2.780
  630    HA   LEU  80           HA       LEU  80   8.275  -1.391   0.426
  631   1HB   LEU  80          HB2       LEU  80   7.421  -0.379   3.167
  632   2HB   LEU  80          HB3       LEU  80   7.002   0.339   1.622
  633    HG   LEU  80           HG       LEU  80   6.057  -2.292   2.790
  634   1HD1  LEU  80          HD11      LEU  80   4.902  -0.219   3.460
  635   2HD1  LEU  80          HD12      LEU  80   4.569   0.153   1.755
  636   3HD1  LEU  80          HD13      LEU  80   3.842  -1.281   2.517
  637   1HD2  LEU  80          HD21      LEU  80   4.772  -2.735   0.739
  638   2HD2  LEU  80          HD22      LEU  80   5.545  -1.359  -0.067
  639   3HD2  LEU  80          HD23      LEU  80   6.503  -2.789   0.406
  640    H    GLU  81           H        GLU  81   9.631  -0.004  -0.412
  641    HA   GLU  81           HA       GLU  81  11.731   1.382   1.100
  642   1HB   GLU  81          HB2       GLU  81  10.953   1.257  -1.848
  643   2HB   GLU  81          HB3       GLU  81  12.127   2.418  -1.232
  644   1HG   GLU  81          HG2       GLU  81  12.344  -0.603  -1.146
  645   2HG   GLU  81          HG3       GLU  81  13.240   0.528  -2.171
  646    H    GLY  82           H        GLY  82   9.851   2.133   2.448
  647   1HA   GLY  82          HA2       GLY  82   8.123   4.258   1.553
  648   2HA   GLY  82          HA3       GLY  82   8.488   3.811   3.227
  649    H    HIS  83           H        HIS  83  11.260   4.391   1.368
  650    HA   HIS  83           HA       HIS  83  12.229   6.719   2.671
  651   1HB   HIS  83          HB2       HIS  83  12.903   5.235   0.108
  652   2HB   HIS  83          HB3       HIS  83  13.676   6.765   0.459
  653    HD1  HIS  83           HD1      HIS  83  14.421   3.220   1.015
  654    HD2  HIS  83           HD2      HIS  83  14.732   6.822   3.212
  655    HE1  HIS  83           HE1      HIS  83  16.105   2.803   2.851
  656    H    HIS  84           H        HIS  84  12.686   8.808   1.702
  657    HA   HIS  84           HA       HIS  84  10.244  10.065   1.035
  658   1HB   HIS  84          HB2       HIS  84  12.079  11.022   2.411
  659   2HB   HIS  84          HB3       HIS  84  13.093  11.146   0.972
  660    HD1  HIS  84           HD1      HIS  84  12.949  13.496  -0.181
  661    HD2  HIS  84           HD2      HIS  84   9.610  12.498   2.184
  662    HE1  HIS  84           HE1      HIS  84  11.431  15.536  -0.193
  663    H    ARG  85           H        ARG  85  12.814   8.871  -1.112
  664    HA   ARG  85           HA       ARG  85  11.440  10.036  -3.452
  665   1HB   ARG  85          HB2       ARG  85  13.526  11.019  -4.311
  666   2HB   ARG  85          HB3       ARG  85  12.996  11.807  -2.836
  667   1HG   ARG  85          HG2       ARG  85  14.711  10.795  -1.515
  668   2HG   ARG  85          HG3       ARG  85  15.114   9.614  -2.764
  669   1HD   ARG  85          HD2       ARG  85  15.508  12.617  -3.083
  670   2HD   ARG  85          HD3       ARG  85  16.768  11.487  -2.542
  671    HE   ARG  85           HE       ARG  85  15.796  10.376  -4.881
  672   1HH1  ARG  85          HH11      ARG  85  17.448  13.412  -4.085
  673   2HH1  ARG  85          HH12      ARG  85  18.085  13.630  -5.673
  674   1HH2  ARG  85          HH21      ARG  85  16.542  10.669  -6.970
  675   2HH2  ARG  85          HH22      ARG  85  17.577  12.003  -7.356
  676    H    PHE  86           H        PHE  86  12.496   9.311  -5.504
  677    HA   PHE  86           HA       PHE  86  13.553   6.552  -5.361
  678   1HB   PHE  86          HB2       PHE  86  11.697   7.315  -7.029
  679   2HB   PHE  86          HB3       PHE  86  12.948   8.244  -7.812
  680    HD1  PHE  86           HD2      PHE  86  12.071   4.738  -6.705
  681    HD2  PHE  86           HD1      PHE  86  14.248   7.225  -9.426
  682    HE1  PHE  86           HE2      PHE  86  12.844   2.722  -7.920
  683    HE2  PHE  86           HE1      PHE  86  15.037   5.201 -10.660
  684    HZ   PHE  86           HZ       PHE  86  14.341   2.948  -9.880
  685    H    SER  87           H        SER  87  15.752   6.210  -6.098
  686    HA   SER  87           HA       SER  87  17.420   8.673  -6.423
  687   1HB   SER  87          HB2       SER  87  17.870   6.311  -4.565
  688   2HB   SER  87          HB3       SER  87  18.966   7.691  -4.786
  689    HG   SER  87           HG       SER  87  17.570   7.930  -2.970
  690    H    ILE  88           H        ILE  88  19.599   8.296  -7.231
  691    HA   ILE  88           HA       ILE  88  19.889   5.843  -8.908
  692    HB   ILE  88           HB       ILE  88  21.470   8.428  -9.262
  693   1HG1  ILE  88          HG12      ILE  88  19.037   7.602 -10.879
  694   2HG1  ILE  88          HG13      ILE  88  19.123   8.972  -9.746
  695   1HG2  ILE  88          HG21      ILE  88  22.490   6.356 -10.177
  696   2HG2  ILE  88          HG22      ILE  88  20.999   6.028 -11.093
  697   3HG2  ILE  88          HG23      ILE  88  22.021   7.425 -11.477
  698   1HD1  ILE  88          HD11      ILE  88  19.260   9.868 -11.931
  699   2HD1  ILE  88          HD12      ILE  88  20.880   9.999 -11.218
  700   3HD1  ILE  88          HD13      ILE  88  20.516   8.735 -12.425
  701    H    VAL  89           H        VAL  89  21.735   4.635  -8.485
  702    HA   VAL  89           HA       VAL  89  23.764   5.814  -6.656
  703    HB   VAL  89           HB       VAL  89  23.460   2.826  -6.934
  704   1HG1  VAL  89          HG11      VAL  89  25.510   3.749  -5.941
  705   2HG1  VAL  89          HG12      VAL  89  24.543   4.596  -4.712
  706   3HG1  VAL  89          HG13      VAL  89  24.582   2.821  -4.758
  707   1HG2  VAL  89          HG21      VAL  89  22.148   2.731  -4.817
  708   2HG2  VAL  89          HG22      VAL  89  21.940   4.496  -4.882
  709   3HG2  VAL  89          HG23      VAL  89  21.220   3.457  -6.132
  710    H    TYR  90           H        TYR  90  25.769   5.893  -7.678
  711    HA   TYR  90           HA       TYR  90  25.536   5.536 -10.567
  712   1HB   TYR  90          HB2       TYR  90  27.613   6.972  -8.889
  713   2HB   TYR  90          HB3       TYR  90  27.486   7.031 -10.643
  714    HD1  TYR  90           HD2      TYR  90  25.255   7.855 -11.689
  715    HD2  TYR  90           HD1      TYR  90  26.334   8.524  -7.562
  716    HE1  TYR  90           HE2      TYR  90  23.556   9.650 -11.539
  717    HE2  TYR  90           HE1      TYR  90  24.637  10.314  -7.402
  718    HH   TYR  90           HH       TYR  90  22.980  11.516  -8.520
  719    H    SER  91           H        SER  91  26.880   3.625  -8.109
  720    HA   SER  91           HA       SER  91  28.994   2.318  -9.584
  721   1HB   SER  91          HB2       SER  91  27.070   1.176  -7.506
  722   2HB   SER  91          HB3       SER  91  28.635   0.509  -7.996
  723    HG   SER  91           HG       SER  91  28.790   1.717  -6.032
  Start of MODEL   16
    1   1H    MET   1          H1        MET   1   0.306  -0.564   0.470
    2   2H    MET   1          H2        MET   1  -0.343   0.757  -0.264
    3   3H    MET   1          H3        MET   1  -0.616  -0.749  -0.862
    4    HA   MET   1           HA       MET   1   0.980   0.332  -2.248
    5   1HB   MET   1          HB2       MET   1   2.469   0.735   0.383
    6   2HB   MET   1          HB3       MET   1   3.290   0.738  -1.174
    7   1HG   MET   1          HG2       MET   1   2.858   2.993  -0.593
    8   2HG   MET   1          HG3       MET   1   1.861   2.573  -1.977
    9   1HE   MET   1          HE1       MET   1  -0.260   5.319  -0.210
   10   2HE   MET   1          HE2       MET   1   1.510   5.239  -0.347
   11   3HE   MET   1          HE3       MET   1   0.488   4.778  -1.728
   12    H    LEU   2           H        LEU   2   2.896  -0.768  -3.124
   13    HA   LEU   2           HA       LEU   2   3.394  -3.498  -2.102
   14   1HB   LEU   2          HB2       LEU   2   1.537  -3.452  -3.852
   15   2HB   LEU   2          HB3       LEU   2   2.699  -2.785  -4.987
   16    HG   LEU   2           HG       LEU   2   4.017  -4.890  -4.880
   17   1HD1  LEU   2          HD11      LEU   2   3.076  -6.879  -3.733
   18   2HD1  LEU   2          HD12      LEU   2   3.522  -5.638  -2.570
   19   3HD1  LEU   2          HD13      LEU   2   1.814  -5.864  -3.001
   20   1HD2  LEU   2          HD21      LEU   2   2.402  -6.314  -6.035
   21   2HD2  LEU   2          HD22      LEU   2   1.058  -5.330  -5.414
   22   3HD2  LEU   2          HD23      LEU   2   2.234  -4.629  -6.546
   23    H    GLN   3           H        GLN   3   5.355  -4.369  -3.624
   24    HA   GLN   3           HA       GLN   3   7.184  -2.221  -4.417
   25   1HB   GLN   3          HB2       GLN   3   7.530  -2.609  -1.982
   26   2HB   GLN   3          HB3       GLN   3   7.710  -4.328  -2.285
   27   1HG   GLN   3          HG2       GLN   3   9.824  -3.766  -3.619
   28   2HG   GLN   3          HG3       GLN   3   9.642  -2.109  -3.029
   29   1HE2  GLN   3          HE22      GLN   3  10.953  -1.765  -1.198
   30   2HE2  GLN   3          HE21      GLN   3  11.265  -3.007   0.013
   31    H    TYR   4           H        TYR   4   8.946  -3.096  -5.753
   32    HA   TYR   4           HA       TYR   4   9.081  -5.966  -6.076
   33   1HB   TYR   4          HB2       TYR   4   9.125  -5.909  -8.574
   34   2HB   TYR   4          HB3       TYR   4   7.565  -5.719  -7.828
   35    HD1  TYR   4           HD1      TYR   4  10.258  -3.149  -8.733
   36    HD2  TYR   4           HD2      TYR   4   6.214  -4.587  -9.267
   37    HE1  TYR   4           HE1      TYR   4   9.807  -1.297 -10.283
   38    HE2  TYR   4           HE2      TYR   4   5.784  -2.761 -10.855
   39    HH   TYR   4           HH       TYR   4   6.629  -0.866 -11.890
   40    H    ARG   5           H        ARG   5  10.971  -6.568  -7.407
   41    HA   ARG   5           HA       ARG   5  13.059  -4.480  -7.656
   42   1HB   ARG   5          HB2       ARG   5  13.393  -6.100  -5.671
   43   2HB   ARG   5          HB3       ARG   5  13.636  -7.371  -6.872
   44   1HG   ARG   5          HG2       ARG   5  15.617  -6.160  -7.766
   45   2HG   ARG   5          HG3       ARG   5  15.280  -4.801  -6.673
   46   1HD   ARG   5          HD2       ARG   5  15.414  -6.523  -4.746
   47   2HD   ARG   5          HD3       ARG   5  16.127  -7.627  -5.936
   48    HE   ARG   5           HE       ARG   5  17.502  -5.080  -5.905
   49   1HH1  ARG   5          HH21      ARG   5  17.160  -8.008  -3.898
   50   2HH1  ARG   5          HH22      ARG   5  18.683  -7.793  -3.121
   51   1HH2  ARG   5          HH11      ARG   5  19.454  -4.845  -4.984
   52   2HH2  ARG   5          HH12      ARG   5  20.052  -5.918  -3.733
   53    H    ILE   6           H        ILE   6  14.052  -4.610  -9.690
   54    HA   ILE   6           HA       ILE   6  13.149  -6.729 -11.546
   55    HB   ILE   6           HB       ILE   6  12.956  -3.714 -11.975
   56   1HG1  ILE   6          HG12      ILE   6  10.883  -5.918 -11.787
   57   2HG1  ILE   6          HG13      ILE   6  11.085  -4.553 -10.701
   58   1HG2  ILE   6          HG21      ILE   6  13.788  -4.842 -14.039
   59   2HG2  ILE   6          HG22      ILE   6  12.367  -5.904 -14.010
   60   3HG2  ILE   6          HG23      ILE   6  12.193  -4.156 -14.248
   61   1HD1  ILE   6          HD11      ILE   6  10.030  -4.445 -13.550
   62   2HD1  ILE   6          HD12      ILE   6   9.150  -4.167 -12.048
   63   3HD1  ILE   6          HD13      ILE   6  10.397  -3.009 -12.557
   64    H    ILE   7           H        ILE   7  14.728  -7.281 -13.021
   65    HA   ILE   7           HA       ILE   7  17.318  -5.816 -12.898
   66    HB   ILE   7           HB       ILE   7  17.072  -8.782 -13.490
   67   1HG1  ILE   7          HG12      ILE   7  16.356  -8.602 -11.167
   68   2HG1  ILE   7          HG13      ILE   7  17.935  -9.345 -11.292
   69   1HG2  ILE   7          HG21      ILE   7  19.497  -8.782 -13.027
   70   2HG2  ILE   7          HG22      ILE   7  19.028  -7.794 -14.410
   71   3HG2  ILE   7          HG23      ILE   7  19.445  -7.006 -12.871
   72   1HD1  ILE   7          HD11      ILE   7  17.839  -7.800  -9.396
   73   2HD1  ILE   7          HD12      ILE   7  19.014  -7.220 -10.591
   74   3HD1  ILE   7          HD13      ILE   7  17.417  -6.460 -10.468
   75    H    VAL   8           H        VAL   8  18.104  -5.300 -14.959
   76    HA   VAL   8           HA       VAL   8  16.504  -6.182 -17.314
   77    HB   VAL   8           HB       VAL   8  17.485  -3.330 -16.871
   78   1HG1  VAL   8          HG11      VAL   8  15.423  -4.524 -18.775
   79   2HG1  VAL   8          HG12      VAL   8  15.928  -2.821 -18.718
   80   3HG1  VAL   8          HG13      VAL   8  17.079  -4.065 -19.224
   81   1HG2  VAL   8          HG21      VAL   8  15.778  -3.659 -15.157
   82   2HG2  VAL   8          HG22      VAL   8  15.099  -2.700 -16.473
   83   3HG2  VAL   8          HG23      VAL   8  14.687  -4.420 -16.339
   84    H    ASP   9           H        ASP   9  17.767  -6.669 -19.073
   85    HA   ASP   9           HA       ASP   9  20.725  -6.332 -18.848
   86   1HB   ASP   9          HB2       ASP   9  20.068  -8.550 -18.041
   87   2HB   ASP   9          HB3       ASP   9  19.094  -8.813 -19.489
   88    H    GLY  10           H        GLY  10  21.758  -6.237 -20.902
   89   1HA   GLY  10          HA2       GLY  10  21.345  -6.590 -23.414
   90   2HA   GLY  10          HA3       GLY  10  19.982  -5.490 -23.170
   91    H    ARG  11           H        ARG  11  20.988  -3.974 -24.606
   92    HA   ARG  11           HA       ARG  11  23.408  -2.551 -23.689
   93   1HB   ARG  11          HB2       ARG  11  22.945  -2.676 -26.123
   94   2HB   ARG  11          HB3       ARG  11  21.386  -1.896 -25.873
   95   1HG   ARG  11          HG2       ARG  11  22.910  -0.258 -26.716
   96   2HG   ARG  11          HG3       ARG  11  22.550   0.157 -25.044
   97   1HD   ARG  11          HD2       ARG  11  24.721  -0.925 -24.356
   98   2HD   ARG  11          HD3       ARG  11  25.087  -1.220 -26.056
   99    HE   ARG  11           HE       ARG  11  25.208   1.261 -24.541
  100   1HH1  ARG  11          HH21      ARG  11  25.224  -0.141 -27.805
  101   2HH1  ARG  11          HH22      ARG  11  25.772   1.291 -28.590
  102   1HH2  ARG  11          HH11      ARG  11  25.798   3.268 -25.637
  103   2HH2  ARG  11          HH12      ARG  11  26.171   3.230 -27.320
  104    H    VAL  12           H        VAL  12  22.711  -2.161 -21.534
  105    HA   VAL  12           HA       VAL  12  20.841   0.146 -21.314
  106    HB   VAL  12           HB       VAL  12  20.199  -0.772 -19.061
  107   1HG1  VAL  12          HG11      VAL  12  19.363  -2.457 -21.457
  108   2HG1  VAL  12          HG12      VAL  12  18.468  -2.231 -19.939
  109   3HG1  VAL  12          HG13      VAL  12  18.711  -0.859 -21.026
  110   1HG2  VAL  12          HG21      VAL  12  21.218  -3.448 -20.100
  111   2HG2  VAL  12          HG22      VAL  12  22.022  -2.493 -18.842
  112   3HG2  VAL  12          HG23      VAL  12  20.391  -3.121 -18.570
  113    H    GLN  13           H        GLN  13  23.926  -0.443 -21.435
  114    HA   GLN  13           HA       GLN  13  24.586   1.696 -19.532
  115   1HB   GLN  13          HB2       GLN  13  26.433  -0.686 -20.023
  116   2HB   GLN  13          HB3       GLN  13  26.736   0.725 -19.029
  117   1HG   GLN  13          HG2       GLN  13  26.212  -0.747 -17.400
  118   2HG   GLN  13          HG3       GLN  13  24.616  -0.062 -17.657
  119   1HE2  GLN  13          HE22      GLN  13  24.799  -2.488 -16.377
  120   2HE2  GLN  13          HE21      GLN  13  24.387  -3.819 -17.470
  121    H    GLY  14           H        GLY  14  26.630   2.822 -20.368
  122   1HA   GLY  14          HA2       GLY  14  27.410   4.131 -22.081
  123   2HA   GLY  14          HA3       GLY  14  27.243   2.748 -23.179
  124    H    VAL  15           H        VAL  15  24.463   3.783 -21.346
  125    HA   VAL  15           HA       VAL  15  23.335   5.655 -23.217
  126    HB   VAL  15           HB       VAL  15  21.164   4.376 -23.318
  127   1HG1  VAL  15          HG11      VAL  15  21.711   3.008 -25.235
  128   2HG1  VAL  15          HG12      VAL  15  22.682   4.490 -25.282
  129   3HG1  VAL  15          HG13      VAL  15  23.414   2.951 -24.777
  130   1HG2  VAL  15          HG21      VAL  15  21.089   1.965 -23.066
  131   2HG2  VAL  15          HG22      VAL  15  22.796   1.903 -22.610
  132   3HG2  VAL  15          HG23      VAL  15  21.604   2.675 -21.538
  133    H    GLY  16           H        GLY  16  21.613   6.805 -22.019
  134   1HA   GLY  16          HA2       GLY  16  22.347   7.002 -19.246
  135   2HA   GLY  16          HA3       GLY  16  21.200   8.019 -20.126
  136    H    PHE  17           H        PHE  17  20.969   4.447 -19.704
  137    HA   PHE  17           HA       PHE  17  18.213   4.632 -19.371
  138   1HB   PHE  17          HB2       PHE  17  19.411   2.600 -20.129
  139   2HB   PHE  17          HB3       PHE  17  20.012   2.343 -18.494
  140    HD1  PHE  17           HD1      PHE  17  16.599   3.280 -19.832
  141    HD2  PHE  17           HD2      PHE  17  18.930   0.435 -17.583
  142    HE1  PHE  17           HE1      PHE  17  14.543   2.077 -19.240
  143    HE2  PHE  17           HE2      PHE  17  16.866  -0.834 -17.067
  144    HZ   PHE  17           HZ       PHE  17  14.662  -0.033 -17.905
  145    H    ARG  18           H        ARG  18  20.684   4.504 -16.767
  146    HA   ARG  18           HA       ARG  18  18.856   4.171 -14.599
  147   1HB   ARG  18          HB2       ARG  18  21.538   5.604 -14.769
  148   2HB   ARG  18          HB3       ARG  18  20.669   5.386 -13.256
  149   1HG   ARG  18          HG2       ARG  18  21.073   3.146 -13.105
  150   2HG   ARG  18          HG3       ARG  18  21.019   2.871 -14.833
  151   1HD   ARG  18          HD2       ARG  18  23.333   4.034 -13.237
  152   2HD   ARG  18          HD3       ARG  18  23.267   2.431 -13.968
  153    HE   ARG  18           HE       ARG  18  24.086   4.864 -15.184
  154   1HH1  ARG  18          HH11      ARG  18  22.432   1.859 -16.064
  155   2HH1  ARG  18          HH12      ARG  18  22.620   2.053 -17.765
  156   1HH2  ARG  18          HH21      ARG  18  24.347   5.176 -17.408
  157   2HH2  ARG  18          HH22      ARG  18  23.598   4.137 -18.557
  158    H    TYR  19           H        TYR  19  19.792   7.140 -16.394
  159    HA   TYR  19           HA       TYR  19  18.300   8.880 -14.623
  160   1HB   TYR  19          HB2       TYR  19  19.231   9.361 -17.481
  161   2HB   TYR  19          HB3       TYR  19  18.648  10.573 -16.353
  162    HD1  TYR  19           HD1      TYR  19  19.956  10.980 -14.174
  163    HD2  TYR  19           HD2      TYR  19  21.549   8.735 -17.496
  164    HE1  TYR  19           HE1      TYR  19  22.238  11.283 -13.273
  165    HE2  TYR  19           HE2      TYR  19  23.840   9.025 -16.601
  166    HH   TYR  19           HH       TYR  19  24.510  10.839 -13.568
  167    H    PHE  20           H        PHE  20  17.599   7.176 -17.740
  168    HA   PHE  20           HA       PHE  20  15.053   8.310 -18.201
  169   1HB   PHE  20          HB2       PHE  20  16.275   6.832 -19.796
  170   2HB   PHE  20          HB3       PHE  20  15.932   5.439 -18.770
  171    HD1  PHE  20           HD2      PHE  20  14.339   8.047 -20.919
  172    HD2  PHE  20           HD1      PHE  20  13.824   4.316 -18.811
  173    HE1  PHE  20           HE2      PHE  20  12.172   7.685 -22.075
  174    HE2  PHE  20           HE1      PHE  20  11.677   3.945 -19.996
  175    HZ   PHE  20           HZ       PHE  20  10.843   5.631 -21.620
  176    H    VAL  21           H        VAL  21  15.908   5.320 -16.390
  177    HA   VAL  21           HA       VAL  21  13.318   4.750 -15.407
  178    HB   VAL  21           HB       VAL  21  16.094   4.145 -14.299
  179   1HG1  VAL  21          HG11      VAL  21  15.078   2.333 -13.033
  180   2HG1  VAL  21          HG12      VAL  21  14.346   3.850 -12.535
  181   3HG1  VAL  21          HG13      VAL  21  13.470   2.755 -13.637
  182   1HG2  VAL  21          HG21      VAL  21  14.173   2.437 -15.960
  183   2HG2  VAL  21          HG22      VAL  21  15.657   3.175 -16.560
  184   3HG2  VAL  21          HG23      VAL  21  15.753   1.920 -15.332
  185    H    GLN  22           H        GLN  22  15.934   6.855 -14.039
  186    HA   GLN  22           HA       GLN  22  14.679   7.400 -11.612
  187   1HB   GLN  22          HB2       GLN  22  17.048   8.092 -12.375
  188   2HB   GLN  22          HB3       GLN  22  16.325   9.425 -13.223
  189   1HG   GLN  22          HG2       GLN  22  17.071  10.256 -11.112
  190   2HG   GLN  22          HG3       GLN  22  15.303  10.225 -11.055
  191   1HE2  GLN  22          HE22      GLN  22  17.024   7.182 -10.800
  192   2HE2  GLN  22          HE21      GLN  22  16.765   6.931  -9.086
  193    H    MET  23           H        MET  23  14.352   9.178 -14.712
  194    HA   MET  23           HA       MET  23  12.557  11.124 -13.583
  195   1HB   MET  23          HB2       MET  23  13.164  10.365 -16.468
  196   2HB   MET  23          HB3       MET  23  12.235  11.788 -15.962
  197   1HG   MET  23          HG2       MET  23  14.157  12.594 -14.635
  198   2HG   MET  23          HG3       MET  23  15.122  11.220 -15.128
  199   1HE   MET  23          HE1       MET  23  14.607  10.844 -18.221
  200   2HE   MET  23          HE2       MET  23  15.836  11.921 -18.915
  201   3HE   MET  23          HE3       MET  23  16.233  10.923 -17.502
  202    H    GLU  24           H        GLU  24  12.048   8.039 -15.365
  203    HA   GLU  24           HA       GLU  24   9.215   8.377 -15.576
  204   1HB   GLU  24          HB2       GLU  24  11.022   5.931 -15.693
  205   2HB   GLU  24          HB3       GLU  24   9.276   5.844 -15.932
  206   1HG   GLU  24          HG2       GLU  24  11.168   7.533 -17.633
  207   2HG   GLU  24          HG3       GLU  24  10.530   5.955 -18.074
  208    H    ALA  25           H        ALA  25  11.249   7.107 -12.926
  209    HA   ALA  25           HA       ALA  25   8.996   6.163 -11.359
  210   1HB   ALA  25          HB1       ALA  25  11.352   5.422 -10.970
  211   2HB   ALA  25          HB2       ALA  25  11.779   7.074 -10.501
  212   3HB   ALA  25          HB3       ALA  25  10.632   6.141  -9.522
  213    H    ASP  26           H        ASP  26  10.926   9.185 -11.505
  214    HA   ASP  26           HA       ASP  26   9.755  10.461  -9.272
  215   1HB   ASP  26          HB2       ASP  26  11.881  11.175 -10.215
  216   2HB   ASP  26          HB3       ASP  26  11.102  11.625 -11.736
  217    H    LYS  27           H        LYS  27   8.914  10.762 -12.796
  218    HA   LYS  27           HA       LYS  27   6.768  12.567 -12.319
  219   1HB   LYS  27          HB2       LYS  27   6.104  12.222 -14.579
  220   2HB   LYS  27          HB3       LYS  27   7.855  12.246 -14.495
  221   1HG   LYS  27          HG2       LYS  27   7.542  10.541 -15.961
  222   2HG   LYS  27          HG3       LYS  27   7.666   9.633 -14.458
  223   1HD   LYS  27          HD2       LYS  27   5.194   9.415 -14.377
  224   2HD   LYS  27          HD3       LYS  27   5.042  10.397 -15.834
  225   1HE   LYS  27          HE2       LYS  27   6.551   7.747 -15.666
  226   2HE   LYS  27          HE3       LYS  27   4.860   7.889 -16.158
  227   1HZ   LYS  27          HZ1       LYS  27   5.552   9.210 -18.056
  228   2HZ   LYS  27          HZ2       LYS  27   7.144   9.130 -17.592
  229   3HZ   LYS  27          HZ3       LYS  27   6.407   7.796 -18.039
  230    H    ARG  28           H        ARG  28   6.983   9.234 -11.564
  231    HA   ARG  28           HA       ARG  28   4.032   9.040 -11.285
  232   1HB   ARG  28          HB2       ARG  28   5.692   7.314 -12.591
  233   2HB   ARG  28          HB3       ARG  28   5.855   6.661 -10.972
  234   1HG   ARG  28          HG2       ARG  28   4.118   5.451 -12.065
  235   2HG   ARG  28          HG3       ARG  28   3.296   6.511 -10.909
  236   1HD   ARG  28          HD2       ARG  28   2.707   8.083 -12.724
  237   2HD   ARG  28          HD3       ARG  28   3.691   7.159 -13.858
  238    HE   ARG  28           HE       ARG  28   2.011   5.670 -14.159
  239   1HH1  ARG  28          HH11      ARG  28   1.091   7.615 -11.327
  240   2HH1  ARG  28          HH12      ARG  28  -0.400   6.784 -11.091
  241   1HH2  ARG  28          HH21      ARG  28   0.146   4.463 -13.729
  242   2HH2  ARG  28          HH22      ARG  28  -0.958   4.942 -12.487
  243    H    LYS  29           H        LYS  29   6.441  10.189  -9.501
  244    HA   LYS  29           HA       LYS  29   7.001  10.385  -7.362
  245   1HB   LYS  29          HB2       LYS  29   4.011  10.003  -6.945
  246   2HB   LYS  29          HB3       LYS  29   5.136  10.733  -5.794
  247   1HG   LYS  29          HG2       LYS  29   5.663  12.532  -7.435
  248   2HG   LYS  29          HG3       LYS  29   4.530  11.817  -8.580
  249   1HD   LYS  29          HD2       LYS  29   3.434  13.668  -7.501
  250   2HD   LYS  29          HD3       LYS  29   2.664  12.165  -7.013
  251   1HE   LYS  29          HE2       LYS  29   2.814  13.586  -5.087
  252   2HE   LYS  29          HE3       LYS  29   3.911  12.230  -4.847
  253   1HZ   LYS  29          HZ1       LYS  29   4.712  14.953  -5.714
  254   2HZ   LYS  29          HZ2       LYS  29   4.918  14.337  -4.223
  255   3HZ   LYS  29          HZ3       LYS  29   5.749  13.709  -5.475
  256    H    LEU  30           H        LEU  30   7.468   7.730  -8.286
  257    HA   LEU  30           HA       LEU  30   6.768   5.922  -6.052
  258   1HB   LEU  30          HB2       LEU  30   8.600   5.639  -8.464
  259   2HB   LEU  30          HB3       LEU  30   8.399   4.385  -7.244
  260    HG   LEU  30           HG       LEU  30   6.135   5.491  -8.964
  261   1HD1  LEU  30          HD11      LEU  30   7.752   4.245 -10.299
  262   2HD1  LEU  30          HD12      LEU  30   7.696   2.890  -9.153
  263   3HD1  LEU  30          HD13      LEU  30   6.257   3.311 -10.111
  264   1HD2  LEU  30          HD21      LEU  30   4.905   3.454  -8.166
  265   2HD2  LEU  30          HD22      LEU  30   6.216   3.152  -7.013
  266   3HD2  LEU  30          HD23      LEU  30   5.219   4.623  -6.884
  267    H    ALA  31           H        ALA  31   8.612   4.808  -4.878
  268    HA   ALA  31           HA       ALA  31  10.990   6.527  -4.489
  269   1HB   ALA  31          HB1       ALA  31  10.872   6.181  -2.059
  270   2HB   ALA  31          HB2       ALA  31   9.451   7.080  -2.631
  271   3HB   ALA  31          HB3       ALA  31   9.313   5.349  -2.232
  272    H    GLY  32           H        GLY  32  12.875   5.294  -3.845
  273   1HA   GLY  32          HA2       GLY  32  13.369   2.648  -3.552
  274   2HA   GLY  32          HA3       GLY  32  12.690   2.719  -5.178
  275    H    TRP  33           H        TRP  33  14.827   1.922  -5.879
  276    HA   TRP  33           HA       TRP  33  16.626   4.174  -6.421
  277   1HB   TRP  33          HB2       TRP  33  18.629   2.898  -5.944
  278   2HB   TRP  33          HB3       TRP  33  17.665   3.132  -4.506
  279    HD1  TRP  33           HD1      TRP  33  18.167   0.254  -7.119
  280    HE1  TRP  33           HE1      TRP  33  18.398  -1.971  -5.848
  281    HE3  TRP  33           HE3      TRP  33  17.403   1.948  -2.332
  282    HZ2  TRP  33           HZ2      TRP  33  18.457  -2.850  -3.145
  283    HZ3  TRP  33           HZ3      TRP  33  17.581   0.379  -0.422
  284    HH2  TRP  33           HH2      TRP  33  18.123  -2.019  -0.806
  285    H    VAL  34           H        VAL  34  18.038   3.847  -8.226
  286    HA   VAL  34           HA       VAL  34  17.810   1.256  -9.619
  287    HB   VAL  34           HB       VAL  34  16.449   2.739 -10.943
  288   1HG1  VAL  34          HG11      VAL  34  18.848   4.596 -11.237
  289   2HG1  VAL  34          HG12      VAL  34  17.270   4.753 -12.040
  290   3HG1  VAL  34          HG13      VAL  34  17.390   4.930 -10.286
  291   1HG2  VAL  34          HG21      VAL  34  17.882   1.088 -12.124
  292   2HG2  VAL  34          HG22      VAL  34  17.529   2.511 -13.113
  293   3HG2  VAL  34          HG23      VAL  34  19.116   2.330 -12.350
  294    H    LYS  35           H        LYS  35  19.798   0.455 -10.306
  295    HA   LYS  35           HA       LYS  35  22.191   2.140 -10.194
  296   1HB   LYS  35          HB2       LYS  35  23.347   0.752  -8.539
  297   2HB   LYS  35          HB3       LYS  35  21.936   1.556  -7.864
  298   1HG   LYS  35          HG2       LYS  35  20.650  -0.605  -8.068
  299   2HG   LYS  35          HG3       LYS  35  22.155  -1.383  -8.599
  300   1HD   LYS  35          HD2       LYS  35  23.232  -0.642  -6.424
  301   2HD   LYS  35          HD3       LYS  35  21.676   0.051  -5.942
  302   1HE   LYS  35          HE2       LYS  35  21.802  -2.077  -4.873
  303   2HE   LYS  35          HE3       LYS  35  20.628  -2.203  -6.180
  304   1HZ   LYS  35          HZ1       LYS  35  21.860  -4.073  -6.490
  305   2HZ   LYS  35          HZ2       LYS  35  22.680  -3.088  -7.489
  306   3HZ   LYS  35          HZ3       LYS  35  23.294  -3.410  -6.001
  307    H    ASN  36           H        ASN  36  24.067   1.038 -11.082
  308    HA   ASN  36           HA       ASN  36  23.464  -1.005 -13.101
  309   1HB   ASN  36          HB2       ASN  36  25.194   0.780 -13.446
  310   2HB   ASN  36          HB3       ASN  36  26.131   0.106 -12.109
  311   1HD2  ASN  36          HD22      ASN  36  27.764  -1.313 -12.784
  312   2HD2  ASN  36          HD21      ASN  36  27.660  -2.304 -14.218
  313    H    ARG  37           H        ARG  37  24.531  -3.157 -13.075
  314    HA   ARG  37           HA       ARG  37  25.445  -4.113 -10.393
  315   1HB   ARG  37          HB2       ARG  37  23.693  -5.500 -12.472
  316   2HB   ARG  37          HB3       ARG  37  24.728  -6.412 -11.377
  317   1HG   ARG  37          HG2       ARG  37  23.633  -5.301  -9.428
  318   2HG   ARG  37          HG3       ARG  37  22.488  -4.528 -10.545
  319   1HD   ARG  37          HD2       ARG  37  21.613  -6.693 -11.235
  320   2HD   ARG  37          HD3       ARG  37  22.933  -7.542 -10.403
  321    HE   ARG  37           HE       ARG  37  21.278  -5.869  -8.654
  322   1HH1  ARG  37          HH21      ARG  37  21.602  -9.158  -9.987
  323   2HH1  ARG  37          HH22      ARG  37  20.750  -9.888  -8.678
  324   1HH2  ARG  37          HH11      ARG  37  20.251  -6.761  -7.018
  325   2HH2  ARG  37          HH12      ARG  37  19.938  -8.482  -6.891
  326    H    ASP  38           H        ASP  38  27.462  -4.910 -10.444
  327    HA   ASP  38           HA       ASP  38  29.195  -4.394 -12.581
  328   1HB   ASP  38          HB2       ASP  38  29.897  -4.557 -10.246
  329   2HB   ASP  38          HB3       ASP  38  29.497  -6.276 -10.214
  330    H    ASP  39           H        ASP  39  27.293  -7.293 -11.930
  331    HA   ASP  39           HA       ASP  39  28.636  -9.144 -13.608
  332   1HB   ASP  39          HB2       ASP  39  26.871  -9.726 -11.969
  333   2HB   ASP  39          HB3       ASP  39  25.669  -8.917 -12.981
  334    H    GLY  40           H        GLY  40  26.776  -6.325 -14.448
  335   1HA   GLY  40          HA2       GLY  40  27.172  -5.489 -16.675
  336   2HA   GLY  40          HA3       GLY  40  26.824  -7.090 -17.339
  337    H    ARG  41           H        ARG  41  24.718  -5.983 -14.730
  338    HA   ARG  41           HA       ARG  41  22.538  -5.596 -16.760
  339   1HB   ARG  41          HB2       ARG  41  21.997  -6.552 -13.959
  340   2HB   ARG  41          HB3       ARG  41  21.014  -6.716 -15.400
  341   1HG   ARG  41          HG2       ARG  41  23.407  -8.325 -14.549
  342   2HG   ARG  41          HG3       ARG  41  21.739  -8.865 -14.774
  343   1HD   ARG  41          HD2       ARG  41  21.963  -9.124 -17.047
  344   2HD   ARG  41          HD3       ARG  41  23.172  -7.845 -17.213
  345    HE   ARG  41           HE       ARG  41  24.192 -10.040 -15.649
  346   1HH1  ARG  41          HH21      ARG  41  23.660  -9.095 -19.067
  347   2HH1  ARG  41          HH22      ARG  41  24.963 -10.094 -19.627
  348   1HH2  ARG  41          HH11      ARG  41  25.779 -11.240 -16.346
  349   2HH2  ARG  41          HH12      ARG  41  26.202 -11.424 -18.036
  350    H    VAL  42           H        VAL  42  20.595  -4.450 -15.491
  351    HA   VAL  42           HA       VAL  42  21.657  -2.389 -13.617
  352    HB   VAL  42           HB       VAL  42  19.586  -2.054 -15.838
  353   1HG1  VAL  42          HG11      VAL  42  19.357   0.296 -15.096
  354   2HG1  VAL  42          HG12      VAL  42  18.800  -0.823 -13.853
  355   3HG1  VAL  42          HG13      VAL  42  20.387  -0.039 -13.690
  356   1HG2  VAL  42          HG21      VAL  42  21.121  -0.287 -16.658
  357   2HG2  VAL  42          HG22      VAL  42  22.261  -0.660 -15.338
  358   3HG2  VAL  42          HG23      VAL  42  21.934  -1.848 -16.605
  359    H    GLU  43           H        GLU  43  20.279  -2.022 -11.845
  360    HA   GLU  43           HA       GLU  43  18.111  -4.022 -11.414
  361   1HB   GLU  43          HB2       GLU  43  20.058  -4.631 -10.082
  362   2HB   GLU  43          HB3       GLU  43  20.243  -2.965  -9.510
  363   1HG   GLU  43          HG2       GLU  43  17.911  -3.200  -8.448
  364   2HG   GLU  43          HG3       GLU  43  18.007  -4.920  -8.825
  365    H    ILE  44           H        ILE  44  16.248  -3.126 -10.746
  366    HA   ILE  44           HA       ILE  44  16.136  -0.290  -9.855
  367    HB   ILE  44           HB       ILE  44  14.134  -1.874 -11.507
  368   1HG1  ILE  44          HG12      ILE  44  15.821   0.343 -12.716
  369   2HG1  ILE  44          HG13      ILE  44  16.378  -1.314 -12.783
  370   1HG2  ILE  44          HG21      ILE  44  13.034   0.295 -11.904
  371   2HG2  ILE  44          HG22      ILE  44  13.178  -0.003 -10.174
  372   3HG2  ILE  44          HG23      ILE  44  14.303   1.114 -10.977
  373   1HD1  ILE  44          HD11      ILE  44  14.359  -2.058 -13.852
  374   2HD1  ILE  44          HD12      ILE  44  13.765  -0.374 -13.928
  375   3HD1  ILE  44          HD13      ILE  44  15.237  -0.837 -14.805
  376    H    LEU  45           H        LEU  45  14.815  -0.075  -7.969
  377    HA   LEU  45           HA       LEU  45  13.174  -2.376  -7.096
  378   1HB   LEU  45          HB2       LEU  45  15.565  -2.454  -6.100
  379   2HB   LEU  45          HB3       LEU  45  15.135  -1.004  -5.205
  380    HG   LEU  45           HG       LEU  45  13.681  -3.690  -5.059
  381   1HD1  LEU  45          HD11      LEU  45  14.802  -4.009  -2.931
  382   2HD1  LEU  45          HD12      LEU  45  16.025  -3.703  -4.174
  383   3HD1  LEU  45          HD13      LEU  45  15.566  -2.409  -3.051
  384   1HD2  LEU  45          HD21      LEU  45  12.773  -2.729  -2.881
  385   2HD2  LEU  45          HD22      LEU  45  13.313  -1.133  -3.447
  386   3HD2  LEU  45          HD23      LEU  45  12.081  -2.060  -4.346
  387    H    ALA  46           H        ALA  46  11.191  -1.496  -6.480
  388    HA   ALA  46           HA       ALA  46  11.099   1.347  -5.675
  389   1HB   ALA  46          HB1       ALA  46   9.379   1.853  -7.354
  390   2HB   ALA  46          HB2       ALA  46  10.863   1.323  -8.170
  391   3HB   ALA  46          HB3       ALA  46   9.492   0.206  -8.009
  392    H    GLU  47           H        GLU  47   9.255   1.887  -4.534
  393    HA   GLU  47           HA       GLU  47   7.164  -0.159  -4.155
  394   1HB   GLU  47          HB2       GLU  47   6.927   0.498  -1.807
  395   2HB   GLU  47          HB3       GLU  47   8.497  -0.240  -2.110
  396   1HG   GLU  47          HG2       GLU  47   9.618   1.909  -2.026
  397   2HG   GLU  47          HG3       GLU  47   8.082   2.781  -2.010
  398    H    GLY  48           H        GLY  48   5.075   0.729  -3.729
  399   1HA   GLY  48          HA2       GLY  48   4.279   3.340  -3.416
  400   2HA   GLY  48          HA3       GLY  48   4.597   3.216  -5.152
  401    HA   PRO  49           HA       PRO  49   0.182   1.734  -4.551
  402   1HB   PRO  49          HB2       PRO  49   0.049   3.482  -7.005
  403   2HB   PRO  49          HB3       PRO  49  -1.162   3.275  -5.705
  404   1HG   PRO  49          HG2       PRO  49   0.400   5.498  -5.811
  405   2HG   PRO  49          HG3       PRO  49   0.057   4.702  -4.239
  406   1HD   PRO  49          HD2       PRO  49   2.536   4.462  -5.962
  407   2HD   PRO  49          HD3       PRO  49   2.405   4.679  -4.190
  408    H    GLU  50           H        GLU  50  -0.500  -0.079  -5.759
  409    HA   GLU  50           HA       GLU  50   1.392  -1.325  -7.457
  410   1HB   GLU  50          HB2       GLU  50  -0.260  -3.053  -7.791
  411   2HB   GLU  50          HB3       GLU  50  -0.207  -2.562  -6.099
  412   1HG   GLU  50          HG2       GLU  50  -2.261  -1.166  -6.469
  413   2HG   GLU  50          HG3       GLU  50  -2.323  -1.734  -8.138
  414    H    ASN  51           H        ASN  51  -1.310   0.832  -8.258
  415    HA   ASN  51           HA       ASN  51  -1.347   0.269 -11.091
  416   1HB   ASN  51          HB2       ASN  51  -3.224   1.403 -10.030
  417   2HB   ASN  51          HB3       ASN  51  -2.185   2.720  -9.476
  418   1HD2  ASN  51          HD22      ASN  51  -3.422   1.141 -12.493
  419   2HD2  ASN  51          HD21      ASN  51  -3.291   2.581 -13.463
  420    H    ALA  52           H        ALA  52   0.334   2.742  -9.106
  421    HA   ALA  52           HA       ALA  52   1.693   4.056 -11.238
  422   1HB   ALA  52          HB1       ALA  52   3.206   4.844  -9.393
  423   2HB   ALA  52          HB2       ALA  52   1.486   5.072  -9.018
  424   3HB   ALA  52          HB3       ALA  52   2.400   3.734  -8.283
  425    H    LEU  53           H        LEU  53   2.624   1.328  -9.116
  426    HA   LEU  53           HA       LEU  53   5.199   0.913 -10.220
  427   1HB   LEU  53          HB2       LEU  53   3.200  -0.847  -8.769
  428   2HB   LEU  53          HB3       LEU  53   4.734  -1.490  -9.300
  429    HG   LEU  53           HG       LEU  53   4.522   0.946  -7.489
  430   1HD1  LEU  53          HD11      LEU  53   3.548  -0.970  -6.354
  431   2HD1  LEU  53          HD12      LEU  53   4.948  -1.991  -6.780
  432   3HD1  LEU  53          HD13      LEU  53   5.135  -0.613  -5.674
  433   1HD2  LEU  53          HD21      LEU  53   6.880  -0.912  -8.054
  434   2HD2  LEU  53          HD22      LEU  53   6.706   0.732  -8.698
  435   3HD2  LEU  53          HD23      LEU  53   6.872   0.485  -6.961
  436    H    GLN  54           H        GLN  54   2.005  -0.504 -11.235
  437    HA   GLN  54           HA       GLN  54   3.157  -2.173 -13.243
  438   1HB   GLN  54          HB2       GLN  54   0.400  -0.975 -12.853
  439   2HB   GLN  54          HB3       GLN  54   0.786  -1.952 -14.274
  440   1HG   GLN  54          HG2       GLN  54   1.306  -3.886 -12.974
  441   2HG   GLN  54          HG3       GLN  54   1.333  -2.979 -11.465
  442   1HE2  GLN  54          HE22      GLN  54  -0.664  -2.149 -10.604
  443   2HE2  GLN  54          HE21      GLN  54  -2.203  -2.919 -10.993
  444    H    SER  55           H        SER  55   1.853   1.232 -13.523
  445    HA   SER  55           HA       SER  55   2.511   1.533 -16.263
  446   1HB   SER  55          HB2       SER  55   2.723   3.642 -14.084
  447   2HB   SER  55          HB3       SER  55   2.516   3.924 -15.822
  448    HG   SER  55           HG       SER  55   0.482   2.808 -15.638
  449    H    PHE  56           H        PHE  56   4.583   1.830 -13.339
  450    HA   PHE  56           HA       PHE  56   6.819   2.799 -14.801
  451   1HB   PHE  56          HB2       PHE  56   6.465   3.194 -12.438
  452   2HB   PHE  56          HB3       PHE  56   6.645   1.488 -12.081
  453    HD1  PHE  56           HD1      PHE  56   8.633   3.982 -14.140
  454    HD2  PHE  56           HD2      PHE  56   8.616   1.196 -10.843
  455    HE1  PHE  56           HE1      PHE  56  11.042   4.412 -13.739
  456    HE2  PHE  56           HE2      PHE  56  11.014   1.639 -10.454
  457    HZ   PHE  56           HZ       PHE  56  12.212   3.277 -11.859
  458    H    VAL  57           H        VAL  57   5.730  -0.615 -14.099
  459    HA   VAL  57           HA       VAL  57   8.100  -1.750 -15.265
  460    HB   VAL  57           HB       VAL  57   5.339  -2.990 -15.538
  461   1HG1  VAL  57          HG11      VAL  57   8.158  -4.161 -15.448
  462   2HG1  VAL  57          HG12      VAL  57   6.653  -5.101 -15.570
  463   3HG1  VAL  57          HG13      VAL  57   7.131  -4.029 -16.887
  464   1HG2  VAL  57          HG21      VAL  57   7.281  -3.179 -13.205
  465   2HG2  VAL  57          HG22      VAL  57   5.589  -2.622 -13.171
  466   3HG2  VAL  57          HG23      VAL  57   5.938  -4.313 -13.477
  467    H    GLU  58           H        GLU  58   4.970  -0.599 -16.710
  468    HA   GLU  58           HA       GLU  58   5.612  -1.387 -19.339
  469   1HB   GLU  58          HB2       GLU  58   3.841   0.882 -18.363
  470   2HB   GLU  58          HB3       GLU  58   3.994   0.406 -20.055
  471   1HG   GLU  58          HG2       GLU  58   3.275  -1.900 -19.479
  472   2HG   GLU  58          HG3       GLU  58   3.044  -1.411 -17.802
  473    H    ALA  59           H        ALA  59   6.537   1.581 -17.578
  474    HA   ALA  59           HA       ALA  59   7.900   2.793 -19.769
  475   1HB   ALA  59          HB1       ALA  59   7.263   4.034 -17.736
  476   2HB   ALA  59          HB2       ALA  59   8.410   3.072 -16.773
  477   3HB   ALA  59          HB3       ALA  59   9.007   4.145 -18.048
  478    H    VAL  60           H        VAL  60   9.107   0.719 -17.053
  479    HA   VAL  60           HA       VAL  60  11.826   0.847 -17.795
  480    HB   VAL  60           HB       VAL  60  10.144  -0.986 -16.061
  481   1HG1  VAL  60          HG11      VAL  60  13.159  -1.173 -16.386
  482   2HG1  VAL  60          HG12      VAL  60  12.197  -1.939 -15.097
  483   3HG1  VAL  60          HG13      VAL  60  11.972  -2.437 -16.770
  484   1HG2  VAL  60          HG21      VAL  60  11.274   0.175 -14.235
  485   2HG2  VAL  60          HG22      VAL  60  12.356   1.008 -15.374
  486   3HG2  VAL  60          HG23      VAL  60  10.633   1.395 -15.336
  487    H    LYS  61           H        LYS  61   9.308  -1.586 -18.673
  488    HA   LYS  61           HA       LYS  61  11.159  -3.378 -19.849
  489   1HB   LYS  61          HB2       LYS  61   9.312  -4.624 -20.600
  490   2HB   LYS  61          HB3       LYS  61   8.839  -3.930 -19.049
  491   1HG   LYS  61          HG2       LYS  61   7.526  -2.181 -20.255
  492   2HG   LYS  61          HG3       LYS  61   7.997  -2.906 -21.803
  493   1HD   LYS  61          HD2       LYS  61   6.942  -5.066 -21.047
  494   2HD   LYS  61          HD3       LYS  61   6.349  -4.218 -19.602
  495   1HE   LYS  61          HE2       LYS  61   5.109  -2.622 -21.067
  496   2HE   LYS  61          HE3       LYS  61   5.732  -3.451 -22.495
  497   1HZ   LYS  61          HZ1       LYS  61   3.501  -4.189 -21.952
  498   2HZ   LYS  61          HZ2       LYS  61   4.533  -5.437 -21.805
  499   3HZ   LYS  61          HZ3       LYS  61   3.955  -4.691 -20.470
  500    H    ASN  62           H        ASN  62  10.011  -0.365 -21.113
  501    HA   ASN  62           HA       ASN  62  10.426  -0.978 -23.924
  502   1HB   ASN  62          HB2       ASN  62   9.056   0.953 -23.114
  503   2HB   ASN  62          HB3       ASN  62  10.510   1.691 -22.443
  504   1HD2  ASN  62          HD22      ASN  62  11.884   2.845 -23.795
  505   2HD2  ASN  62          HD21      ASN  62  11.567   3.084 -25.509
  506    H    GLY  63           H        GLY  63  12.542  -0.286 -21.192
  507   1HA   GLY  63          HA2       GLY  63  14.784   0.275 -21.044
  508   2HA   GLY  63          HA3       GLY  63  14.972   0.100 -22.794
  509    H    SER  64           H        SER  64  16.153   2.383 -22.049
  510    HA   SER  64           HA       SER  64  14.259   4.608 -22.392
  511   1HB   SER  64          HB2       SER  64  16.215   5.968 -22.811
  512   2HB   SER  64          HB3       SER  64  16.463   5.008 -21.347
  513    HG   SER  64           HG       SER  64  18.297   4.970 -22.678
  514    HA   PRO  65           HA       PRO  65  13.922   4.217 -26.917
  515   1HB   PRO  65          HB2       PRO  65  14.963   7.063 -26.838
  516   2HB   PRO  65          HB3       PRO  65  13.676   6.369 -27.877
  517   1HG   PRO  65          HG2       PRO  65  13.013   7.770 -25.654
  518   2HG   PRO  65          HG3       PRO  65  12.155   6.241 -26.035
  519   1HD   PRO  65          HD2       PRO  65  14.339   6.719 -24.011
  520   2HD   PRO  65          HD3       PRO  65  12.894   5.656 -23.910
  521    H    PHE  66           H        PHE  66  16.914   5.343 -25.329
  522    HA   PHE  66           HA       PHE  66  18.580   4.870 -27.694
  523   1HB   PHE  66          HB2       PHE  66  19.393   5.404 -24.813
  524   2HB   PHE  66          HB3       PHE  66  20.402   5.543 -26.243
  525    HD1  PHE  66           HD1      PHE  66  19.711   7.302 -28.047
  526    HD2  PHE  66           HD2      PHE  66  18.188   7.297 -24.007
  527    HE1  PHE  66           HE1      PHE  66  19.041   9.680 -28.292
  528    HE2  PHE  66           HE2      PHE  66  17.518   9.672 -24.260
  529    HZ   PHE  66           HZ       PHE  66  17.943  10.868 -26.400
  530    H    SER  67           H        SER  67  17.446   3.042 -24.887
  531    HA   SER  67           HA       SER  67  19.696   1.217 -24.729
  532   1HB   SER  67          HB2       SER  67  16.854   1.038 -23.649
  533   2HB   SER  67          HB3       SER  67  18.188  -0.018 -23.190
  534    HG   SER  67           HG       SER  67  18.124   2.813 -22.797
  535    H    LYS  68           H        LYS  68  19.349  -1.132 -24.912
  536    HA   LYS  68           HA       LYS  68  17.078  -2.055 -26.525
  537   1HB   LYS  68          HB2       LYS  68  18.925  -1.843 -28.195
  538   2HB   LYS  68          HB3       LYS  68  19.911  -2.946 -27.224
  539   1HG   LYS  68          HG2       LYS  68  18.050  -4.669 -27.437
  540   2HG   LYS  68          HG3       LYS  68  17.238  -3.575 -28.558
  541   1HD   LYS  68          HD2       LYS  68  20.016  -4.788 -28.922
  542   2HD   LYS  68          HD3       LYS  68  18.529  -5.371 -29.678
  543   1HE   LYS  68          HE2       LYS  68  18.255  -3.171 -30.828
  544   2HE   LYS  68          HE3       LYS  68  19.773  -2.615 -30.111
  545   1HZ   LYS  68          HZ1       LYS  68  20.912  -4.389 -31.318
  546   2HZ   LYS  68          HZ2       LYS  68  19.507  -4.898 -31.982
  547   3HZ   LYS  68          HZ3       LYS  68  20.103  -3.429 -32.355
  548    H    VAL  69           H        VAL  69  16.351  -2.619 -24.419
  549    HA   VAL  69           HA       VAL  69  17.757  -4.512 -22.742
  550    HB   VAL  69           HB       VAL  69  16.034  -3.293 -21.712
  551   1HG1  VAL  69          HG11      VAL  69  13.671  -3.272 -22.362
  552   2HG1  VAL  69          HG12      VAL  69  14.675  -2.521 -23.593
  553   3HG1  VAL  69          HG13      VAL  69  14.050  -4.169 -23.843
  554   1HG2  VAL  69          HG21      VAL  69  16.099  -5.662 -21.026
  555   2HG2  VAL  69          HG22      VAL  69  14.475  -4.980 -20.867
  556   3HG2  VAL  69          HG23      VAL  69  14.843  -6.060 -22.215
  557    H    THR  70           H        THR  70  17.951  -6.694 -23.052
  558    HA   THR  70           HA       THR  70  16.462  -7.962 -25.299
  559    HB   THR  70           HB       THR  70  18.454  -9.460 -25.445
  560    HG1  THR  70           HG1      THR  70  20.258  -8.979 -24.319
  561   1HG2  THR  70          HG21      THR  70  18.203  -7.446 -26.934
  562   2HG2  THR  70          HG22      THR  70  19.150  -6.504 -25.762
  563   3HG2  THR  70          HG23      THR  70  19.895  -7.870 -26.619
  564    H    ASP  71           H        ASP  71  17.080  -7.987 -21.835
  565    HA   ASP  71           HA       ASP  71  15.039 -10.048 -21.568
  566   1HB   ASP  71          HB2       ASP  71  17.076 -11.441 -21.680
  567   2HB   ASP  71          HB3       ASP  71  17.835 -10.461 -20.426
  568    H    ILE  72           H        ILE  72  14.096  -9.992 -19.463
  569    HA   ILE  72           HA       ILE  72  14.987  -8.003 -17.526
  570    HB   ILE  72           HB       ILE  72  13.697  -6.618 -18.975
  571   1HG1  ILE  72          HG12      ILE  72  11.878  -7.307 -16.634
  572   2HG1  ILE  72          HG13      ILE  72  13.382  -6.399 -16.494
  573   1HG2  ILE  72          HG21      ILE  72  12.399  -8.318 -20.230
  574   2HG2  ILE  72          HG22      ILE  72  11.369  -8.579 -18.805
  575   3HG2  ILE  72          HG23      ILE  72  11.373  -7.022 -19.655
  576   1HD1  ILE  72          HD11      ILE  72  12.472  -4.662 -18.036
  577   2HD1  ILE  72          HD12      ILE  72  10.915  -5.529 -18.051
  578   3HD1  ILE  72          HD13      ILE  72  11.532  -4.853 -16.542
  579    H    SER  73           H        SER  73  14.194  -8.458 -15.456
  580    HA   SER  73           HA       SER  73  12.648 -10.973 -15.033
  581   1HB   SER  73          HB2       SER  73  15.312 -10.160 -13.757
  582   2HB   SER  73          HB3       SER  73  14.354 -11.591 -13.334
  583    HG   SER  73           HG       SER  73  16.049 -12.082 -14.791
  584    H    VAL  74           H        VAL  74  11.420 -10.910 -13.065
  585    HA   VAL  74           HA       VAL  74  11.414  -8.345 -11.557
  586    HB   VAL  74           HB       VAL  74   8.985  -9.748 -12.761
  587   1HG1  VAL  74          HG11      VAL  74   8.347  -8.666 -10.682
  588   2HG1  VAL  74          HG12      VAL  74   9.178  -7.170 -11.136
  589   3HG1  VAL  74          HG13      VAL  74   7.738  -7.704 -12.024
  590   1HG2  VAL  74          HG21      VAL  74  10.151  -8.644 -14.571
  591   2HG2  VAL  74          HG22      VAL  74   8.721  -7.701 -14.164
  592   3HG2  VAL  74          HG23      VAL  74  10.321  -7.153 -13.623
  593    H    THR  75           H        THR  75  10.908  -8.575  -9.412
  594    HA   THR  75           HA       THR  75   9.780 -11.119  -8.379
  595    HB   THR  75           HB       THR  75  12.102  -9.541  -7.164
  596    HG1  THR  75           HG1      THR  75  12.779 -10.755  -8.924
  597   1HG2  THR  75          HG21      THR  75  10.721 -10.584  -5.431
  598   2HG2  THR  75          HG22      THR  75  10.783 -12.147  -6.279
  599   3HG2  THR  75          HG23      THR  75  12.259 -11.440  -5.575
  600    H    GLU  76           H        GLU  76   7.816 -10.449  -7.519
  601    HA   GLU  76           HA       GLU  76   7.427  -7.674  -6.650
  602   1HB   GLU  76          HB2       GLU  76   5.139  -8.335  -6.212
  603   2HB   GLU  76          HB3       GLU  76   5.618  -8.765  -7.853
  604   1HG   GLU  76          HG2       GLU  76   5.957 -11.139  -7.101
  605   2HG   GLU  76          HG3       GLU  76   5.392 -10.684  -5.491
  606    H    SER  77           H        SER  77   6.971  -7.111  -4.506
  607    HA   SER  77           HA       SER  77   7.807  -8.933  -2.324
  608   1HB   SER  77          HB2       SER  77   9.198  -6.310  -3.042
  609   2HB   SER  77          HB3       SER  77   9.601  -7.375  -1.685
  610    HG   SER  77           HG       SER  77  11.021  -7.677  -3.423
  611    H    ARG  78           H        ARG  78   7.632  -7.756  -0.189
  612    HA   ARG  78           HA       ARG  78   6.320  -5.139  -0.259
  613   1HB   ARG  78          HB2       ARG  78   4.517  -6.988  -0.021
  614   2HB   ARG  78          HB3       ARG  78   5.190  -7.279   1.579
  615   1HG   ARG  78          HG2       ARG  78   4.803  -4.452   1.452
  616   2HG   ARG  78          HG3       ARG  78   3.439  -5.119   0.566
  617   1HD   ARG  78          HD2       ARG  78   2.796  -4.853   2.867
  618   2HD   ARG  78          HD3       ARG  78   2.939  -6.595   2.548
  619    HE   ARG  78           HE       ARG  78   5.443  -5.643   3.471
  620   1HH1  ARG  78          HH21      ARG  78   2.174  -6.131   4.781
  621   2HH1  ARG  78          HH22      ARG  78   2.706  -6.369   6.404
  622   1HH2  ARG  78          HH11      ARG  78   6.151  -5.960   5.615
  623   2HH2  ARG  78          HH12      ARG  78   5.031  -6.266   6.888
  624    H    SER  79           H        SER  79   9.016  -6.023   0.202
  625    HA   SER  79           HA       SER  79   9.505  -6.067   3.115
  626   1HB   SER  79          HB2       SER  79  11.396  -6.386   0.740
  627   2HB   SER  79          HB3       SER  79  11.764  -6.699   2.449
  628    HG   SER  79           HG       SER  79  11.260  -8.621   1.310
  629    H    LEU  80           H        LEU  80   8.420  -3.841   2.852
  630    HA   LEU  80           HA       LEU  80   9.271  -1.878   1.136
  631   1HB   LEU  80          HB2       LEU  80   8.093  -1.419   3.899
  632   2HB   LEU  80          HB3       LEU  80   8.139  -0.255   2.583
  633    HG   LEU  80           HG       LEU  80   6.533  -2.826   2.725
  634   1HD1  LEU  80          HD11      LEU  80   5.606  -0.846   3.864
  635   2HD1  LEU  80          HD12      LEU  80   5.697   0.074   2.346
  636   3HD1  LEU  80          HD13      LEU  80   4.615  -1.331   2.479
  637   1HD2  LEU  80          HD21      LEU  80   5.629  -2.238   0.456
  638   2HD2  LEU  80          HD22      LEU  80   6.924  -1.032   0.296
  639   3HD2  LEU  80          HD23      LEU  80   7.314  -2.764   0.430
  640    H    GLU  81           H        GLU  81  10.517  -0.071   1.175
  641    HA   GLU  81           HA       GLU  81  12.920  -0.272   2.917
  642   1HB   GLU  81          HB2       GLU  81  14.251   0.469   1.036
  643   2HB   GLU  81          HB3       GLU  81  13.402  -1.032   0.724
  644   1HG   GLU  81          HG2       GLU  81  13.189   0.044  -1.290
  645   2HG   GLU  81          HG3       GLU  81  11.645   0.403  -0.561
  646    H    GLY  82           H        GLY  82  10.384   1.830   1.685
  647   1HA   GLY  82          HA2       GLY  82   9.420   3.459   2.902
  648   2HA   GLY  82          HA3       GLY  82  10.581   3.128   4.192
  649    H    HIS  83           H        HIS  83  11.964   4.120   1.100
  650    HA   HIS  83           HA       HIS  83  12.798   6.706   2.209
  651   1HB   HIS  83          HB2       HIS  83  13.046   5.428  -0.544
  652   2HB   HIS  83          HB3       HIS  83  13.596   7.046  -0.175
  653    HD1  HIS  83           HD1      HIS  83  14.955   3.671  -0.250
  654    HD2  HIS  83           HD2      HIS  83  15.385   7.106   2.152
  655    HE1  HIS  83           HE1      HIS  83  17.208   3.448   0.936
  656    H    HIS  84           H        HIS  84  12.239   8.748   1.063
  657    HA   HIS  84           HA       HIS  84   9.340   8.810   0.430
  658   1HB   HIS  84          HB2       HIS  84   9.455  11.146   1.105
  659   2HB   HIS  84          HB3       HIS  84  10.045  10.079   2.368
  660    HD1  HIS  84           HD1      HIS  84  12.558  10.497   3.180
  661    HD2  HIS  84           HD2      HIS  84  11.333  12.694  -0.200
  662    HE1  HIS  84           HE1      HIS  84  14.393  12.197   2.728
  663    H    ARG  85           H        ARG  85  12.152   8.660  -1.378
  664    HA   ARG  85           HA       ARG  85  10.844   9.812  -3.679
  665   1HB   ARG  85          HB2       ARG  85  12.386  11.472  -4.266
  666   2HB   ARG  85          HB3       ARG  85  11.969  11.805  -2.604
  667   1HG   ARG  85          HG2       ARG  85  14.590  10.711  -3.688
  668   2HG   ARG  85          HG3       ARG  85  14.268  12.263  -2.962
  669   1HD   ARG  85          HD2       ARG  85  15.202  11.392  -1.156
  670   2HD   ARG  85          HD3       ARG  85  13.618  10.687  -0.842
  671    HE   ARG  85           HE       ARG  85  14.800   8.773  -2.400
  672   1HH1  ARG  85          HH11      ARG  85  15.807  10.377   0.602
  673   2HH1  ARG  85          HH12      ARG  85  16.990   9.191   1.009
  674   1HH2  ARG  85          HH21      ARG  85  16.499   7.296  -1.962
  675   2HH2  ARG  85          HH22      ARG  85  17.284   7.312  -0.420
  676    H    PHE  86           H        PHE  86  12.183   9.359  -5.693
  677    HA   PHE  86           HA       PHE  86  13.350   6.701  -5.451
  678   1HB   PHE  86          HB2       PHE  86  11.724   7.645  -7.308
  679   2HB   PHE  86          HB3       PHE  86  13.182   8.339  -7.987
  680    HD1  PHE  86           HD2      PHE  86  11.815   5.076  -6.655
  681    HD2  PHE  86           HD1      PHE  86  14.312   7.018  -9.534
  682    HE1  PHE  86           HE2      PHE  86  12.412   2.869  -7.613
  683    HE2  PHE  86           HE1      PHE  86  14.924   4.811 -10.515
  684    HZ   PHE  86           HZ       PHE  86  13.972   2.729  -9.530
  685    H    SER  87           H        SER  87  15.479   6.226  -6.294
  686    HA   SER  87           HA       SER  87  17.442   8.460  -5.949
  687   1HB   SER  87          HB2       SER  87  17.912   5.687  -4.875
  688   2HB   SER  87          HB3       SER  87  18.532   7.236  -4.296
  689    HG   SER  87           HG       SER  87  15.945   6.099  -4.010
  690    H    ILE  88           H        ILE  88  19.496   8.202  -6.972
  691    HA   ILE  88           HA       ILE  88  19.826   5.844  -8.776
  692    HB   ILE  88           HB       ILE  88  21.389   8.456  -8.971
  693   1HG1  ILE  88          HG12      ILE  88  19.121   7.510 -10.760
  694   2HG1  ILE  88          HG13      ILE  88  19.064   8.903  -9.656
  695   1HG2  ILE  88          HG21      ILE  88  22.224   7.490 -11.075
  696   2HG2  ILE  88          HG22      ILE  88  22.512   6.342  -9.781
  697   3HG2  ILE  88          HG23      ILE  88  21.145   6.092 -10.894
  698   1HD1  ILE  88          HD11      ILE  88  20.692   8.657 -12.208
  699   2HD1  ILE  88          HD12      ILE  88  19.336   9.729 -11.880
  700   3HD1  ILE  88          HD13      ILE  88  20.873   9.982 -11.025
  701    H    VAL  89           H        VAL  89  21.515   4.502  -8.132
  702    HA   VAL  89           HA       VAL  89  23.307   5.440  -5.942
  703    HB   VAL  89           HB       VAL  89  21.835   2.771  -6.084
  704   1HG1  VAL  89          HG11      VAL  89  24.041   2.477  -5.056
  705   2HG1  VAL  89          HG12      VAL  89  23.744   3.858  -3.971
  706   3HG1  VAL  89          HG13      VAL  89  22.782   2.371  -3.830
  707   1HG2  VAL  89          HG21      VAL  89  21.448   5.110  -4.179
  708   2HG2  VAL  89          HG22      VAL  89  20.287   4.529  -5.394
  709   3HG2  VAL  89          HG23      VAL  89  20.694   3.508  -4.018
  710    H    TYR  90           H        TYR  90  25.402   4.651  -6.091
  711    HA   TYR  90           HA       TYR  90  26.171   2.905  -8.350
  712   1HB   TYR  90          HB2       TYR  90  27.767   4.636  -9.157
  713   2HB   TYR  90          HB3       TYR  90  26.088   5.090  -9.338
  714    HD1  TYR  90           HD1      TYR  90  29.202   5.767  -7.412
  715    HD2  TYR  90           HD2      TYR  90  25.131   6.992  -8.166
  716    HE1  TYR  90           HE1      TYR  90  29.617   7.885  -6.199
  717    HE2  TYR  90           HE2      TYR  90  25.535   9.108  -6.957
  718    HH   TYR  90           HH       TYR  90  27.079  10.401  -5.780
  719    H    SER  91           H        SER  91  26.367   3.364  -5.152
  720    HA   SER  91           HA       SER  91  29.033   3.484  -4.384
  721   1HB   SER  91          HB2       SER  91  26.868   1.799  -3.072
  722   2HB   SER  91          HB3       SER  91  28.256   2.580  -2.301
  723    HG   SER  91           HG       SER  91  26.331   3.808  -2.010
  Start of MODEL   17
    1   1H    MET   1          H1        MET   1  -0.318   0.778  -0.257
    2   2H    MET   1          H2        MET   1  -0.603  -0.715  -0.872
    3   3H    MET   1          H3        MET   1   0.327  -0.560   0.457
    4    HA   MET   1           HA       MET   1   1.006   0.413  -2.236
    5   1HB   MET   1          HB2       MET   1   2.732   0.416   0.287
    6   2HB   MET   1          HB3       MET   1   3.260   0.862  -1.332
    7   1HG   MET   1          HG2       MET   1   1.260   2.345   0.400
    8   2HG   MET   1          HG3       MET   1   2.873   2.855  -0.077
    9   1HE   MET   1          HE1       MET   1   2.062   5.217  -0.837
   10   2HE   MET   1          HE2       MET   1   0.676   5.493  -1.915
   11   3HE   MET   1          HE3       MET   1   0.419   4.793  -0.300
   12    H    LEU   2           H        LEU   2   2.785  -0.773  -3.252
   13    HA   LEU   2           HA       LEU   2   3.429  -3.439  -2.131
   14   1HB   LEU   2          HB2       LEU   2   2.470  -2.852  -4.964
   15   2HB   LEU   2          HB3       LEU   2   3.397  -4.288  -4.560
   16    HG   LEU   2           HG       LEU   2   0.657  -3.609  -3.438
   17   1HD1  LEU   2          HD11      LEU   2   1.561  -5.786  -5.376
   18   2HD1  LEU   2          HD12      LEU   2  -0.097  -5.498  -4.801
   19   3HD1  LEU   2          HD13      LEU   2   0.703  -4.302  -5.831
   20   1HD2  LEU   2          HD21      LEU   2   1.866  -4.890  -1.743
   21   2HD2  LEU   2          HD22      LEU   2   0.728  -5.963  -2.549
   22   3HD2  LEU   2          HD23      LEU   2   2.455  -6.038  -2.966
   23    H    GLN   3           H        GLN   3   5.290  -4.284  -3.759
   24    HA   GLN   3           HA       GLN   3   7.317  -2.203  -4.198
   25   1HB   GLN   3          HB2       GLN   3   7.389  -2.624  -1.804
   26   2HB   GLN   3          HB3       GLN   3   7.212  -4.348  -2.074
   27   1HG   GLN   3          HG2       GLN   3   9.597  -4.283  -3.088
   28   2HG   GLN   3          HG3       GLN   3   9.695  -2.642  -2.432
   29   1HE2  GLN   3          HE21      GLN   3  11.321  -3.191  -0.642
   30   2HE2  GLN   3          HE22      GLN   3  10.733  -4.186   0.664
   31    H    TYR   4           H        TYR   4   9.017  -3.056  -5.554
   32    HA   TYR   4           HA       TYR   4   9.194  -5.927  -5.859
   33   1HB   TYR   4          HB2       TYR   4   9.278  -5.886  -8.355
   34   2HB   TYR   4          HB3       TYR   4   7.704  -5.690  -7.642
   35    HD1  TYR   4           HD1      TYR   4  10.379  -3.089  -8.513
   36    HD2  TYR   4           HD2      TYR   4   6.391  -4.624  -9.170
   37    HE1  TYR   4           HE1      TYR   4   9.932  -1.253 -10.081
   38    HE2  TYR   4           HE2      TYR   4   5.968  -2.816 -10.780
   39    HH   TYR   4           HH       TYR   4   6.802  -0.889 -11.795
   40    H    ARG   5           H        ARG   5  11.119  -6.555  -7.063
   41    HA   ARG   5           HA       ARG   5  13.122  -4.411  -7.491
   42   1HB   ARG   5          HB2       ARG   5  13.745  -5.999  -5.556
   43   2HB   ARG   5          HB3       ARG   5  13.849  -7.279  -6.775
   44   1HG   ARG   5          HG2       ARG   5  15.535  -5.787  -8.014
   45   2HG   ARG   5          HG3       ARG   5  15.507  -4.713  -6.610
   46   1HD   ARG   5          HD2       ARG   5  16.373  -7.628  -6.694
   47   2HD   ARG   5          HD3       ARG   5  17.432  -6.241  -6.535
   48    HE   ARG   5           HE       ARG   5  15.570  -7.342  -4.502
   49   1HH1  ARG   5          HH21      ARG   5  18.162  -4.902  -5.114
   50   2HH1  ARG   5          HH22      ARG   5  18.734  -5.007  -3.491
   51   1HH2  ARG   5          HH11      ARG   5  16.229  -7.211  -2.339
   52   2HH2  ARG   5          HH12      ARG   5  17.529  -6.190  -1.869
   53    H    ILE   6           H        ILE   6  14.059  -4.591  -9.562
   54    HA   ILE   6           HA       ILE   6  13.074  -6.732 -11.356
   55    HB   ILE   6           HB       ILE   6  12.931  -3.722 -11.803
   56   1HG1  ILE   6          HG12      ILE   6  10.853  -5.927 -11.705
   57   2HG1  ILE   6          HG13      ILE   6  11.038  -4.598 -10.572
   58   1HG2  ILE   6          HG21      ILE   6  12.216  -4.098 -14.090
   59   2HG2  ILE   6          HG22      ILE   6  13.795  -4.817 -13.872
   60   3HG2  ILE   6          HG23      ILE   6  12.353  -5.855 -13.894
   61   1HD1  ILE   6          HD11      ILE   6  10.038  -4.404 -13.431
   62   2HD1  ILE   6          HD12      ILE   6   9.140  -4.162 -11.930
   63   3HD1  ILE   6          HD13      ILE   6  10.402  -2.997 -12.395
   64    H    ILE   7           H        ILE   7  14.608  -7.235 -12.967
   65    HA   ILE   7           HA       ILE   7  17.263  -5.902 -12.768
   66    HB   ILE   7           HB       ILE   7  16.849  -8.868 -13.263
   67   1HG1  ILE   7          HG12      ILE   7  16.208  -8.487 -10.923
   68   2HG1  ILE   7          HG13      ILE   7  17.683  -9.413 -11.072
   69   1HG2  ILE   7          HG21      ILE   7  19.353  -7.224 -12.763
   70   2HG2  ILE   7          HG22      ILE   7  19.291  -9.003 -12.854
   71   3HG2  ILE   7          HG23      ILE   7  18.863  -8.038 -14.267
   72   1HD1  ILE   7          HD11      ILE   7  19.041  -7.468 -10.467
   73   2HD1  ILE   7          HD12      ILE   7  17.601  -6.441 -10.404
   74   3HD1  ILE   7          HD13      ILE   7  17.795  -7.760  -9.240
   75    H    VAL   8           H        VAL   8  18.142  -5.502 -14.841
   76    HA   VAL   8           HA       VAL   8  16.495  -6.255 -17.201
   77    HB   VAL   8           HB       VAL   8  17.536  -3.433 -16.731
   78   1HG1  VAL   8          HG11      VAL   8  16.986  -4.113 -19.066
   79   2HG1  VAL   8          HG12      VAL   8  15.342  -4.532 -18.547
   80   3HG1  VAL   8          HG13      VAL   8  15.900  -2.845 -18.478
   81   1HG2  VAL   8          HG21      VAL   8  15.212  -2.719 -16.208
   82   2HG2  VAL   8          HG22      VAL   8  14.729  -4.420 -16.081
   83   3HG2  VAL   8          HG23      VAL   8  15.903  -3.724 -14.936
   84    H    ASP   9           H        ASP   9  17.736  -6.505 -19.084
   85    HA   ASP   9           HA       ASP   9  20.664  -6.029 -18.959
   86   1HB   ASP   9          HB2       ASP   9  20.271  -8.320 -18.143
   87   2HB   ASP   9          HB3       ASP   9  19.265  -8.663 -19.554
   88    H    GLY  10           H        GLY  10  21.612  -5.974 -21.076
   89   1HA   GLY  10          HA2       GLY  10  21.013  -6.328 -23.562
   90   2HA   GLY  10          HA3       GLY  10  19.702  -5.195 -23.210
   91    H    ARG  11           H        ARG  11  20.651  -3.700 -24.729
   92    HA   ARG  11           HA       ARG  11  23.119  -2.274 -23.898
   93   1HB   ARG  11          HB2       ARG  11  22.576  -2.328 -26.313
   94   2HB   ARG  11          HB3       ARG  11  21.023  -1.540 -25.997
   95   1HG   ARG  11          HG2       ARG  11  22.232   0.454 -25.078
   96   2HG   ARG  11          HG3       ARG  11  23.770  -0.370 -25.348
   97   1HD   ARG  11          HD2       ARG  11  23.446   1.206 -27.113
   98   2HD   ARG  11          HD3       ARG  11  23.300  -0.407 -27.795
   99    HE   ARG  11           HE       ARG  11  21.062   1.516 -27.202
  100   1HH1  ARG  11          HH21      ARG  11  22.237  -1.235 -29.137
  101   2HH1  ARG  11          HH22      ARG  11  20.923  -1.167 -30.247
  102   1HH2  ARG  11          HH11      ARG  11  19.339   1.544 -28.556
  103   2HH2  ARG  11          HH12      ARG  11  19.183   0.448 -29.895
  104    H    VAL  12           H        VAL  12  22.472  -1.984 -21.698
  105    HA   VAL  12           HA       VAL  12  20.423   0.142 -21.315
  106    HB   VAL  12           HB       VAL  12  19.696  -1.011 -19.264
  107   1HG1  VAL  12          HG11      VAL  12  18.454  -1.291 -21.385
  108   2HG1  VAL  12          HG12      VAL  12  19.371  -2.777 -21.721
  109   3HG1  VAL  12          HG13      VAL  12  18.311  -2.685 -20.307
  110   1HG2  VAL  12          HG21      VAL  12  21.692  -2.407 -18.808
  111   2HG2  VAL  12          HG22      VAL  12  20.190  -3.337 -18.811
  112   3HG2  VAL  12          HG23      VAL  12  21.291  -3.427 -20.198
  113    H    GLN  13           H        GLN  13  23.553  -0.089 -21.399
  114    HA   GLN  13           HA       GLN  13  23.886   1.954 -19.337
  115   1HB   GLN  13          HB2       GLN  13  25.973  -0.254 -19.698
  116   2HB   GLN  13          HB3       GLN  13  26.078   1.159 -18.669
  117   1HG   GLN  13          HG2       GLN  13  25.536  -0.277 -17.064
  118   2HG   GLN  13          HG3       GLN  13  23.890   0.103 -17.521
  119   1HE2  GLN  13          HE22      GLN  13  24.980  -2.335 -16.221
  120   2HE2  GLN  13          HE21      GLN  13  24.672  -3.684 -17.315
  121    H    GLY  14           H        GLY  14  25.902   3.237 -19.906
  122   1HA   GLY  14          HA2       GLY  14  27.236   4.346 -21.463
  123   2HA   GLY  14          HA3       GLY  14  26.796   3.162 -22.709
  124    H    VAL  15           H        VAL  15  24.140   3.157 -22.838
  125    HA   VAL  15           HA       VAL  15  23.027   5.767 -23.459
  126    HB   VAL  15           HB       VAL  15  20.861   4.526 -23.332
  127   1HG1  VAL  15          HG11      VAL  15  22.129   4.661 -25.443
  128   2HG1  VAL  15          HG12      VAL  15  23.008   3.173 -25.034
  129   3HG1  VAL  15          HG13      VAL  15  21.261   3.124 -25.311
  130   1HG2  VAL  15          HG21      VAL  15  22.510   1.998 -22.869
  131   2HG2  VAL  15          HG22      VAL  15  21.504   2.779 -21.629
  132   3HG2  VAL  15          HG23      VAL  15  20.767   2.120 -23.087
  133    H    GLY  16           H        GLY  16  21.647   7.004 -22.068
  134   1HA   GLY  16          HA2       GLY  16  22.544   7.047 -19.316
  135   2HA   GLY  16          HA3       GLY  16  21.447   8.182 -20.117
  136    H    PHE  17           H        PHE  17  21.065   4.625 -19.760
  137    HA   PHE  17           HA       PHE  17  18.297   4.888 -19.518
  138   1HB   PHE  17          HB2       PHE  17  19.421   2.849 -20.298
  139   2HB   PHE  17          HB3       PHE  17  20.073   2.576 -18.684
  140    HD1  PHE  17           HD1      PHE  17  16.599   3.527 -19.831
  141    HD2  PHE  17           HD2      PHE  17  19.074   0.627 -17.819
  142    HE1  PHE  17           HE1      PHE  17  14.590   2.272 -19.191
  143    HE2  PHE  17           HE2      PHE  17  17.052  -0.706 -17.271
  144    HZ   PHE  17           HZ       PHE  17  14.805   0.090 -17.972
  145    H    ARG  18           H        ARG  18  20.696   4.530 -16.828
  146    HA   ARG  18           HA       ARG  18  18.723   4.216 -14.819
  147   1HB   ARG  18          HB2       ARG  18  20.404   4.723 -13.206
  148   2HB   ARG  18          HB3       ARG  18  21.141   3.790 -14.504
  149   1HG   ARG  18          HG2       ARG  18  21.929   6.071 -15.466
  150   2HG   ARG  18          HG3       ARG  18  21.424   6.758 -13.906
  151   1HD   ARG  18          HD2       ARG  18  22.973   5.213 -12.733
  152   2HD   ARG  18          HD3       ARG  18  23.430   4.499 -14.292
  153    HE   ARG  18           HE       ARG  18  23.808   7.384 -14.169
  154   1HH1  ARG  18          HH21      ARG  18  25.359   4.252 -13.525
  155   2HH1  ARG  18          HH22      ARG  18  26.965   4.872 -13.628
  156   1HH2  ARG  18          HH11      ARG  18  25.919   8.208 -14.283
  157   2HH2  ARG  18          HH12      ARG  18  27.292   7.193 -14.006
  158    H    TYR  19           H        TYR  19  19.761   7.191 -16.477
  159    HA   TYR  19           HA       TYR  19  18.401   8.928 -14.581
  160   1HB   TYR  19          HB2       TYR  19  19.129   9.575 -17.454
  161   2HB   TYR  19          HB3       TYR  19  18.884  10.690 -16.121
  162    HD1  TYR  19           HD1      TYR  19  20.539   9.932 -13.948
  163    HD2  TYR  19           HD2      TYR  19  21.340   9.475 -18.159
  164    HE1  TYR  19           HE1      TYR  19  22.967   9.833 -13.469
  165    HE2  TYR  19           HE2      TYR  19  23.768   9.388 -17.698
  166    HH   TYR  19           HH       TYR  19  25.420   9.534 -16.083
  167    H    PHE  20           H        PHE  20  17.620   7.359 -17.747
  168    HA   PHE  20           HA       PHE  20  15.069   8.521 -18.139
  169   1HB   PHE  20          HB2       PHE  20  16.269   7.084 -19.797
  170   2HB   PHE  20          HB3       PHE  20  15.936   5.665 -18.807
  171    HD1  PHE  20           HD1      PHE  20  14.328   8.307 -20.890
  172    HD2  PHE  20           HD2      PHE  20  13.836   4.542 -18.836
  173    HE1  PHE  20           HE1      PHE  20  12.165   7.946 -22.054
  174    HE2  PHE  20           HE2      PHE  20  11.692   4.176 -20.026
  175    HZ   PHE  20           HZ       PHE  20  10.846   5.879 -21.627
  176    H    VAL  21           H        VAL  21  15.965   5.481 -16.438
  177    HA   VAL  21           HA       VAL  21  13.414   4.845 -15.428
  178    HB   VAL  21           HB       VAL  21  16.215   4.293 -14.366
  179   1HG1  VAL  21          HG11      VAL  21  14.511   3.906 -12.578
  180   2HG1  VAL  21          HG12      VAL  21  13.645   2.812 -13.689
  181   3HG1  VAL  21          HG13      VAL  21  15.281   2.426 -13.131
  182   1HG2  VAL  21          HG21      VAL  21  15.758   3.370 -16.643
  183   2HG2  VAL  21          HG22      VAL  21  15.942   2.093 -15.449
  184   3HG2  VAL  21          HG23      VAL  21  14.323   2.554 -16.024
  185    H    GLN  22           H        GLN  22  16.007   6.932 -13.972
  186    HA   GLN  22           HA       GLN  22  14.726   7.422 -11.543
  187   1HB   GLN  22          HB2       GLN  22  17.080   8.114 -12.203
  188   2HB   GLN  22          HB3       GLN  22  16.419   9.405 -13.150
  189   1HG   GLN  22          HG2       GLN  22  17.079  10.371 -11.083
  190   2HG   GLN  22          HG3       GLN  22  15.311  10.340 -11.064
  191   1HE2  GLN  22          HE22      GLN  22  17.120   7.367 -10.551
  192   2HE2  GLN  22          HE21      GLN  22  16.772   7.198  -8.849
  193    H    MET  23           H        MET  23  14.373   9.208 -14.641
  194    HA   MET  23           HA       MET  23  12.541  11.115 -13.489
  195   1HB   MET  23          HB2       MET  23  13.231  10.455 -16.377
  196   2HB   MET  23          HB3       MET  23  12.259  11.842 -15.853
  197   1HG   MET  23          HG2       MET  23  14.125  12.642 -14.441
  198   2HG   MET  23          HG3       MET  23  15.137  11.312 -14.963
  199   1HE   MET  23          HE1       MET  23  16.335  11.150 -17.307
  200   2HE   MET  23          HE2       MET  23  14.730  11.031 -18.066
  201   3HE   MET  23          HE3       MET  23  15.930  12.177 -18.697
  202    H    GLU  24           H        GLU  24  12.080   8.041 -15.309
  203    HA   GLU  24           HA       GLU  24   9.225   8.410 -15.528
  204   1HB   GLU  24          HB2       GLU  24  10.983   5.931 -15.725
  205   2HB   GLU  24          HB3       GLU  24   9.245   5.933 -16.020
  206   1HG   GLU  24          HG2       GLU  24  11.355   7.449 -17.608
  207   2HG   GLU  24          HG3       GLU  24  10.427   6.058 -18.136
  208    H    ALA  25           H        ALA  25  11.297   7.047 -12.939
  209    HA   ALA  25           HA       ALA  25   9.065   6.065 -11.379
  210   1HB   ALA  25          HB1       ALA  25  11.790   7.082 -10.465
  211   2HB   ALA  25          HB2       ALA  25  10.651   6.111  -9.509
  212   3HB   ALA  25          HB3       ALA  25  11.435   5.413 -10.935
  213    H    ASP  26           H        ASP  26  10.927   9.143 -11.467
  214    HA   ASP  26           HA       ASP  26   9.568  10.437  -9.359
  215   1HB   ASP  26          HB2       ASP  26  11.690  11.260 -10.150
  216   2HB   ASP  26          HB3       ASP  26  11.040  11.544 -11.769
  217    H    LYS  27           H        LYS  27   8.790  10.453 -12.914
  218    HA   LYS  27           HA       LYS  27   6.655  12.289 -12.547
  219   1HB   LYS  27          HB2       LYS  27   6.106  12.017 -14.762
  220   2HB   LYS  27          HB3       LYS  27   7.825  11.719 -14.698
  221   1HG   LYS  27          HG2       LYS  27   7.218  10.057 -16.114
  222   2HG   LYS  27          HG3       LYS  27   7.086   9.169 -14.597
  223   1HD   LYS  27          HD2       LYS  27   4.639   9.575 -14.572
  224   2HD   LYS  27          HD3       LYS  27   4.760  10.528 -16.045
  225   1HE   LYS  27          HE2       LYS  27   5.436   7.556 -15.804
  226   2HE   LYS  27          HE3       LYS  27   3.898   8.218 -16.378
  227   1HZ   LYS  27          HZ1       LYS  27   5.265   9.348 -18.155
  228   2HZ   LYS  27          HZ2       LYS  27   6.522   8.364 -17.708
  229   3HZ   LYS  27          HZ3       LYS  27   5.142   7.726 -18.266
  230    H    ARG  28           H        ARG  28   6.814   8.854 -11.888
  231    HA   ARG  28           HA       ARG  28   3.892   8.729 -11.360
  232   1HB   ARG  28          HB2       ARG  28   6.131   6.661 -11.169
  233   2HB   ARG  28          HB3       ARG  28   4.465   6.337 -10.725
  234   1HG   ARG  28          HG2       ARG  28   5.555   6.899 -13.486
  235   2HG   ARG  28          HG3       ARG  28   4.860   5.405 -12.876
  236   1HD   ARG  28          HD2       ARG  28   3.402   7.995 -13.513
  237   2HD   ARG  28          HD3       ARG  28   3.302   6.449 -14.358
  238    HE   ARG  28           HE       ARG  28   2.479   6.528 -11.516
  239   1HH1  ARG  28          HH11      ARG  28   1.408   6.524 -14.909
  240   2HH1  ARG  28          HH12      ARG  28  -0.233   6.168 -14.535
  241   1HH2  ARG  28          HH21      ARG  28   0.243   6.170 -11.023
  242   2HH2  ARG  28          HH22      ARG  28  -0.896   5.968 -12.294
  243    H    LYS  29           H        LYS  29   6.491  10.001  -9.728
  244    HA   LYS  29           HA       LYS  29   7.218  10.189  -7.631
  245   1HB   LYS  29          HB2       LYS  29   4.218  10.350  -7.170
  246   2HB   LYS  29          HB3       LYS  29   5.397  10.761  -5.929
  247   1HG   LYS  29          HG2       LYS  29   5.384  12.111  -8.656
  248   2HG   LYS  29          HG3       LYS  29   4.452  12.697  -7.283
  249   1HD   LYS  29          HD2       LYS  29   6.410  13.076  -5.949
  250   2HD   LYS  29          HD3       LYS  29   7.479  12.302  -7.121
  251   1HE   LYS  29          HE2       LYS  29   5.787  14.718  -7.851
  252   2HE   LYS  29          HE3       LYS  29   7.363  14.894  -7.068
  253   1HZ   LYS  29          HZ1       LYS  29   7.437  14.972  -9.535
  254   2HZ   LYS  29          HZ2       LYS  29   8.427  13.836  -8.881
  255   3HZ   LYS  29          HZ3       LYS  29   7.039  13.370  -9.579
  256    H    LEU  30           H        LEU  30   7.397   7.592  -8.444
  257    HA   LEU  30           HA       LEU  30   6.712   5.837  -6.164
  258   1HB   LEU  30          HB2       LEU  30   8.494   5.512  -8.614
  259   2HB   LEU  30          HB3       LEU  30   8.313   4.274  -7.378
  260    HG   LEU  30           HG       LEU  30   6.026   5.377  -9.069
  261   1HD1  LEU  30          HD11      LEU  30   7.547   2.753  -9.254
  262   2HD1  LEU  30          HD12      LEU  30   6.113   3.201 -10.208
  263   3HD1  LEU  30          HD13      LEU  30   7.624   4.106 -10.402
  264   1HD2  LEU  30          HD21      LEU  30   6.111   3.066  -7.086
  265   2HD2  LEU  30          HD22      LEU  30   5.131   4.550  -6.970
  266   3HD2  LEU  30          HD23      LEU  30   4.787   3.362  -8.227
  267    H    ALA  31           H        ALA  31   8.591   4.757  -4.998
  268    HA   ALA  31           HA       ALA  31  10.942   6.531  -4.650
  269   1HB   ALA  31          HB1       ALA  31  10.711   6.483  -2.244
  270   2HB   ALA  31          HB2       ALA  31   9.208   7.111  -2.920
  271   3HB   ALA  31          HB3       ALA  31   9.280   5.428  -2.344
  272    H    GLY  32           H        GLY  32  12.825   5.362  -3.884
  273   1HA   GLY  32          HA2       GLY  32  13.450   2.837  -3.307
  274   2HA   GLY  32          HA3       GLY  32  12.737   2.609  -4.906
  275    H    TRP  33           H        TRP  33  14.670   2.050  -6.022
  276    HA   TRP  33           HA       TRP  33  16.436   4.281  -6.587
  277   1HB   TRP  33          HB2       TRP  33  18.506   3.110  -6.123
  278   2HB   TRP  33          HB3       TRP  33  17.567   3.317  -4.671
  279    HD1  TRP  33           HD1      TRP  33  18.028   0.388  -7.244
  280    HE1  TRP  33           HE1      TRP  33  18.271  -1.812  -5.924
  281    HE3  TRP  33           HE3      TRP  33  17.527   2.224  -2.475
  282    HZ2  TRP  33           HZ2      TRP  33  18.473  -2.608  -3.201
  283    HZ3  TRP  33           HZ3      TRP  33  17.784   0.708  -0.533
  284    HH2  TRP  33           HH2      TRP  33  18.267  -1.708  -0.873
  285    H    VAL  34           H        VAL  34  18.004   3.809  -8.314
  286    HA   VAL  34           HA       VAL  34  17.584   1.283  -9.788
  287    HB   VAL  34           HB       VAL  34  16.410   2.888 -11.116
  288   1HG1  VAL  34          HG11      VAL  34  17.376   4.927 -12.051
  289   2HG1  VAL  34          HG12      VAL  34  17.332   5.010 -10.291
  290   3HG1  VAL  34          HG13      VAL  34  18.869   4.684 -11.124
  291   1HG2  VAL  34          HG21      VAL  34  17.840   1.272 -12.327
  292   2HG2  VAL  34          HG22      VAL  34  17.627   2.773 -13.232
  293   3HG2  VAL  34          HG23      VAL  34  19.151   2.472 -12.390
  294    H    LYS  35           H        LYS  35  19.598   0.376 -10.464
  295    HA   LYS  35           HA       LYS  35  21.995   2.027 -10.201
  296   1HB   LYS  35          HB2       LYS  35  23.132   0.577  -8.601
  297   2HB   LYS  35          HB3       LYS  35  21.685   1.297  -7.898
  298   1HG   LYS  35          HG2       LYS  35  20.457  -0.840  -8.180
  299   2HG   LYS  35          HG3       LYS  35  21.915  -1.575  -8.885
  300   1HD   LYS  35          HD2       LYS  35  23.160  -1.114  -6.790
  301   2HD   LYS  35          HD3       LYS  35  21.692  -0.404  -6.074
  302   1HE   LYS  35          HE2       LYS  35  20.515  -2.535  -6.271
  303   2HE   LYS  35          HE3       LYS  35  21.883  -3.267  -7.113
  304   1HZ   LYS  35          HZ1       LYS  35  21.913  -2.321  -4.302
  305   2HZ   LYS  35          HZ2       LYS  35  21.854  -3.877  -4.791
  306   3HZ   LYS  35          HZ3       LYS  35  23.189  -2.990  -5.081
  307    H    ASN  36           H        ASN  36  23.825   1.134 -11.198
  308    HA   ASN  36           HA       ASN  36  23.460  -1.070 -13.108
  309   1HB   ASN  36          HB2       ASN  36  25.113   0.744 -13.532
  310   2HB   ASN  36          HB3       ASN  36  25.973   0.308 -12.045
  311   1HD2  ASN  36          HD22      ASN  36  27.581  -1.267 -12.220
  312   2HD2  ASN  36          HD21      ASN  36  27.683  -2.407 -13.550
  313    H    ARG  37           H        ARG  37  24.366  -3.215 -12.780
  314    HA   ARG  37           HA       ARG  37  25.134  -3.890  -9.962
  315   1HB   ARG  37          HB2       ARG  37  23.778  -5.533 -12.150
  316   2HB   ARG  37          HB3       ARG  37  24.695  -6.285 -10.845
  317   1HG   ARG  37          HG2       ARG  37  23.267  -5.149  -9.165
  318   2HG   ARG  37          HG3       ARG  37  22.262  -4.487 -10.469
  319   1HD   ARG  37          HD2       ARG  37  21.480  -6.658 -11.105
  320   2HD   ARG  37          HD3       ARG  37  22.805  -7.467 -10.248
  321    HE   ARG  37           HE       ARG  37  20.886  -5.902  -8.614
  322   1HH1  ARG  37          HH21      ARG  37  21.889  -9.173  -9.643
  323   2HH1  ARG  37          HH22      ARG  37  21.110  -9.940  -8.310
  324   1HH2  ARG  37          HH11      ARG  37  19.938  -6.835  -6.980
  325   2HH2  ARG  37          HH12      ARG  37  19.946  -8.572  -6.694
  326    H    ASP  38           H        ASP  38  27.149  -4.792  -9.711
  327    HA   ASP  38           HA       ASP  38  29.161  -4.120 -11.530
  328   1HB   ASP  38          HB2       ASP  38  29.541  -4.456  -9.144
  329   2HB   ASP  38          HB3       ASP  38  29.159  -6.174  -9.291
  330    H    ASP  39           H        ASP  39  27.288  -7.115 -11.330
  331    HA   ASP  39           HA       ASP  39  28.871  -8.825 -12.936
  332   1HB   ASP  39          HB2       ASP  39  26.940  -9.611 -11.671
  333   2HB   ASP  39          HB3       ASP  39  25.851  -8.607 -12.635
  334    H    GLY  40           H        GLY  40  26.834  -6.082 -13.856
  335   1HA   GLY  40          HA2       GLY  40  27.292  -5.060 -16.004
  336   2HA   GLY  40          HA3       GLY  40  27.280  -6.658 -16.757
  337    H    ARG  41           H        ARG  41  24.772  -6.505 -14.422
  338    HA   ARG  41           HA       ARG  41  22.744  -5.883 -16.530
  339   1HB   ARG  41          HB2       ARG  41  22.340  -7.019 -13.728
  340   2HB   ARG  41          HB3       ARG  41  21.102  -6.748 -14.927
  341   1HG   ARG  41          HG2       ARG  41  22.861  -9.050 -14.587
  342   2HG   ARG  41          HG3       ARG  41  21.258  -8.911 -15.268
  343   1HD   ARG  41          HD2       ARG  41  22.281  -9.555 -17.167
  344   2HD   ARG  41          HD3       ARG  41  22.661  -7.839 -17.339
  345    HE   ARG  41           HE       ARG  41  24.589  -9.436 -15.781
  346   1HH1  ARG  41          HH21      ARG  41  23.870  -8.306 -19.124
  347   2HH1  ARG  41          HH22      ARG  41  25.485  -8.633 -19.652
  348   1HH2  ARG  41          HH11      ARG  41  26.577  -9.725 -16.434
  349   2HH2  ARG  41          HH12      ARG  41  27.104  -9.477 -18.082
  350    H    VAL  42           H        VAL  42  20.746  -4.731 -15.387
  351    HA   VAL  42           HA       VAL  42  21.681  -2.558 -13.574
  352    HB   VAL  42           HB       VAL  42  19.702  -2.435 -15.894
  353   1HG1  VAL  42          HG11      VAL  42  18.738  -1.119 -14.052
  354   2HG1  VAL  42          HG12      VAL  42  20.279  -0.258 -13.835
  355   3HG1  VAL  42          HG13      VAL  42  19.334  -0.056 -15.322
  356   1HG2  VAL  42          HG21      VAL  42  22.272  -0.880 -15.338
  357   2HG2  VAL  42          HG22      VAL  42  22.066  -2.159 -16.550
  358   3HG2  VAL  42          HG23      VAL  42  21.188  -0.640 -16.723
  359    H    GLU  43           H        GLU  43  20.100  -2.041 -11.955
  360    HA   GLU  43           HA       GLU  43  17.938  -4.034 -11.548
  361   1HB   GLU  43          HB2       GLU  43  19.674  -4.680 -10.044
  362   2HB   GLU  43          HB3       GLU  43  20.019  -3.002  -9.587
  363   1HG   GLU  43          HG2       GLU  43  17.764  -2.832  -8.524
  364   2HG   GLU  43          HG3       GLU  43  17.464  -4.530  -8.926
  365    H    ILE  44           H        ILE  44  16.092  -3.169 -10.743
  366    HA   ILE  44           HA       ILE  44  15.934  -0.284 -10.093
  367    HB   ILE  44           HB       ILE  44  13.472  -1.699 -10.988
  368   1HG1  ILE  44          HG12      ILE  44  14.909  -2.506 -12.805
  369   2HG1  ILE  44          HG13      ILE  44  13.620  -1.447 -13.309
  370   1HG2  ILE  44          HG21      ILE  44  14.558   1.091 -11.424
  371   2HG2  ILE  44          HG22      ILE  44  12.962   0.523 -11.969
  372   3HG2  ILE  44          HG23      ILE  44  13.348   0.570 -10.240
  373   1HD1  ILE  44          HD11      ILE  44  15.805  -1.098 -14.502
  374   2HD1  ILE  44          HD12      ILE  44  15.104   0.352 -13.788
  375   3HD1  ILE  44          HD13      ILE  44  16.474  -0.462 -12.992
  376    H    LEU  45           H        LEU  45  14.691   0.026  -8.144
  377    HA   LEU  45           HA       LEU  45  13.162  -2.264  -7.101
  378   1HB   LEU  45          HB2       LEU  45  15.560  -2.210  -6.099
  379   2HB   LEU  45          HB3       LEU  45  15.054  -0.751  -5.253
  380    HG   LEU  45           HG       LEU  45  13.700  -3.488  -5.063
  381   1HD1  LEU  45          HD11      LEU  45  14.803  -3.729  -2.912
  382   2HD1  LEU  45          HD12      LEU  45  16.019  -3.434  -4.165
  383   3HD1  LEU  45          HD13      LEU  45  15.541  -2.120  -3.070
  384   1HD2  LEU  45          HD21      LEU  45  12.054  -1.844  -4.399
  385   2HD2  LEU  45          HD22      LEU  45  12.696  -2.557  -2.945
  386   3HD2  LEU  45          HD23      LEU  45  13.256  -0.941  -3.440
  387    H    ALA  46           H        ALA  46  11.171  -1.423  -6.455
  388    HA   ALA  46           HA       ALA  46  11.013   1.433  -5.757
  389   1HB   ALA  46          HB1       ALA  46   9.375   0.215  -8.023
  390   2HB   ALA  46          HB2       ALA  46   9.218   1.860  -7.376
  391   3HB   ALA  46          HB3       ALA  46  10.698   1.384  -8.228
  392    H    GLU  47           H        GLU  47   9.132   1.947  -4.629
  393    HA   GLU  47           HA       GLU  47   7.082  -0.129  -4.242
  394   1HB   GLU  47          HB2       GLU  47   6.863   0.520  -1.868
  395   2HB   GLU  47          HB3       GLU  47   8.418  -0.248  -2.213
  396   1HG   GLU  47          HG2       GLU  47   9.564   1.906  -2.170
  397   2HG   GLU  47          HG3       GLU  47   8.029   2.777  -2.063
  398    H    GLY  48           H        GLY  48   4.990   0.757  -3.772
  399   1HA   GLY  48          HA2       GLY  48   4.120   3.319  -3.459
  400   2HA   GLY  48          HA3       GLY  48   4.533   3.272  -5.176
  401    HA   PRO  49           HA       PRO  49   0.121   1.764  -4.795
  402   1HB   PRO  49          HB2       PRO  49   0.036   3.451  -7.292
  403   2HB   PRO  49          HB3       PRO  49  -1.188   3.294  -5.997
  404   1HG   PRO  49          HG2       PRO  49   0.411   5.489  -6.142
  405   2HG   PRO  49          HG3       PRO  49   0.037   4.737  -4.556
  406   1HD   PRO  49          HD2       PRO  49   2.531   4.419  -6.240
  407   2HD   PRO  49          HD3       PRO  49   2.379   4.682  -4.476
  408    H    GLU  50           H        GLU  50  -0.648   0.006  -6.012
  409    HA   GLU  50           HA       GLU  50   1.200  -1.447  -7.553
  410   1HB   GLU  50          HB2       GLU  50  -0.446  -3.069  -7.854
  411   2HB   GLU  50          HB3       GLU  50  -0.694  -2.393  -6.252
  412   1HG   GLU  50          HG2       GLU  50  -2.353  -1.810  -8.737
  413   2HG   GLU  50          HG3       GLU  50  -2.796  -2.881  -7.421
  414    H    ASN  51           H        ASN  51  -1.531   0.607  -8.708
  415    HA   ASN  51           HA       ASN  51  -1.132  -0.003 -11.465
  416   1HB   ASN  51          HB2       ASN  51  -3.188   1.043 -10.588
  417   2HB   ASN  51          HB3       ASN  51  -2.285   2.500 -10.167
  418   1HD2  ASN  51          HD22      ASN  51  -2.961   4.082 -11.624
  419   2HD2  ASN  51          HD21      ASN  51  -3.048   3.856 -13.351
  420    H    ALA  52           H        ALA  52   0.359   2.470  -9.377
  421    HA   ALA  52           HA       ALA  52   1.720   3.886 -11.494
  422   1HB   ALA  52          HB1       ALA  52   2.364   3.643  -8.513
  423   2HB   ALA  52          HB2       ALA  52   3.073   4.819  -9.626
  424   3HB   ALA  52          HB3       ALA  52   1.338   4.889  -9.248
  425    H    LEU  53           H        LEU  53   2.611   1.211  -9.275
  426    HA   LEU  53           HA       LEU  53   5.266   0.846 -10.208
  427   1HB   LEU  53          HB2       LEU  53   3.213  -0.945  -8.867
  428   2HB   LEU  53          HB3       LEU  53   4.791  -1.558  -9.296
  429    HG   LEU  53           HG       LEU  53   4.440   0.899  -7.539
  430   1HD1  LEU  53          HD11      LEU  53   4.786  -2.019  -6.723
  431   2HD1  LEU  53          HD12      LEU  53   4.846  -0.605  -5.645
  432   3HD1  LEU  53          HD13      LEU  53   3.342  -1.005  -6.470
  433   1HD2  LEU  53          HD21      LEU  53   6.700   0.620  -8.586
  434   2HD2  LEU  53          HD22      LEU  53   6.736   0.429  -6.832
  435   3HD2  LEU  53          HD23      LEU  53   6.806  -1.001  -7.879
  436    H    GLN  54           H        GLN  54   2.184  -0.756 -11.290
  437    HA   GLN  54           HA       GLN  54   3.445  -2.358 -13.275
  438   1HB   GLN  54          HB2       GLN  54   0.628  -1.228 -13.041
  439   2HB   GLN  54          HB3       GLN  54   1.115  -2.296 -14.357
  440   1HG   GLN  54          HG2       GLN  54   1.314  -3.042 -11.404
  441   2HG   GLN  54          HG3       GLN  54  -0.025  -3.472 -12.461
  442   1HE2  GLN  54          HE22      GLN  54   0.456  -4.907 -14.362
  443   2HE2  GLN  54          HE21      GLN  54   1.803  -6.009 -14.258
  444    H    SER  55           H        SER  55   2.069   0.966 -13.523
  445    HA   SER  55           HA       SER  55   2.624   1.354 -16.277
  446   1HB   SER  55          HB2       SER  55   2.698   3.427 -14.039
  447   2HB   SER  55          HB3       SER  55   2.470   3.734 -15.767
  448    HG   SER  55           HG       SER  55   0.728   2.392 -13.959
  449    H    PHE  56           H        PHE  56   4.728   1.747 -13.384
  450    HA   PHE  56           HA       PHE  56   6.926   2.748 -14.890
  451   1HB   PHE  56          HB2       PHE  56   6.586   3.182 -12.534
  452   2HB   PHE  56          HB3       PHE  56   6.791   1.485 -12.146
  453    HD1  PHE  56           HD1      PHE  56   8.775   3.903 -14.304
  454    HD2  PHE  56           HD2      PHE  56   8.741   1.291 -10.866
  455    HE1  PHE  56           HE1      PHE  56  11.172   4.376 -13.898
  456    HE2  PHE  56           HE2      PHE  56  11.126   1.787 -10.467
  457    HZ   PHE  56           HZ       PHE  56  12.331   3.351 -11.953
  458    H    VAL  57           H        VAL  57   5.881  -0.656 -14.146
  459    HA   VAL  57           HA       VAL  57   8.290  -1.791 -15.238
  460    HB   VAL  57           HB       VAL  57   5.547  -3.073 -15.519
  461   1HG1  VAL  57          HG11      VAL  57   6.877  -5.167 -15.490
  462   2HG1  VAL  57          HG12      VAL  57   7.362  -4.122 -16.825
  463   3HG1  VAL  57          HG13      VAL  57   8.375  -4.216 -15.371
  464   1HG2  VAL  57          HG21      VAL  57   7.461  -3.137 -13.156
  465   2HG2  VAL  57          HG22      VAL  57   5.749  -2.662 -13.161
  466   3HG2  VAL  57          HG23      VAL  57   6.179  -4.342 -13.411
  467    H    GLU  58           H        GLU  58   5.178  -0.735 -16.776
  468    HA   GLU  58           HA       GLU  58   5.869  -1.501 -19.396
  469   1HB   GLU  58          HB2       GLU  58   4.167   0.869 -18.519
  470   2HB   GLU  58          HB3       GLU  58   4.251   0.236 -20.152
  471   1HG   GLU  58          HG2       GLU  58   3.254  -1.333 -17.736
  472   2HG   GLU  58          HG3       GLU  58   2.238  -0.496 -18.896
  473    H    ALA  59           H        ALA  59   6.675   1.507 -17.609
  474    HA   ALA  59           HA       ALA  59   8.054   2.751 -19.761
  475   1HB   ALA  59          HB1       ALA  59   9.035   4.185 -18.043
  476   2HB   ALA  59          HB2       ALA  59   7.302   3.961 -17.742
  477   3HB   ALA  59          HB3       ALA  59   8.503   3.083 -16.764
  478    H    VAL  60           H        VAL  60   9.306   0.725 -17.029
  479    HA   VAL  60           HA       VAL  60  12.034   0.939 -17.740
  480    HB   VAL  60           HB       VAL  60  10.415  -0.995 -16.051
  481   1HG1  VAL  60          HG11      VAL  60  12.450  -1.926 -15.110
  482   2HG1  VAL  60          HG12      VAL  60  12.385  -2.295 -16.822
  483   3HG1  VAL  60          HG13      VAL  60  13.454  -0.996 -16.247
  484   1HG2  VAL  60          HG21      VAL  60  11.472   0.160 -14.183
  485   2HG2  VAL  60          HG22      VAL  60  12.531   1.072 -15.278
  486   3HG2  VAL  60          HG23      VAL  60  10.793   1.387 -15.255
  487    H    LYS  61           H        LYS  61   9.589  -1.583 -18.621
  488    HA   LYS  61           HA       LYS  61  11.525  -3.315 -19.737
  489   1HB   LYS  61          HB2       LYS  61   9.745  -4.656 -20.472
  490   2HB   LYS  61          HB3       LYS  61   9.194  -3.919 -18.965
  491   1HG   LYS  61          HG2       LYS  61   7.866  -2.263 -20.285
  492   2HG   LYS  61          HG3       LYS  61   8.415  -3.042 -21.784
  493   1HD   LYS  61          HD2       LYS  61   7.411  -5.222 -20.816
  494   2HD   LYS  61          HD3       LYS  61   6.625  -4.175 -19.613
  495   1HE   LYS  61          HE2       LYS  61   5.702  -2.821 -21.584
  496   2HE   LYS  61          HE3       LYS  61   6.347  -4.072 -22.657
  497   1HZ   LYS  61          HZ1       LYS  61   4.914  -5.671 -21.421
  498   2HZ   LYS  61          HZ2       LYS  61   4.282  -4.399 -20.567
  499   3HZ   LYS  61          HZ3       LYS  61   4.053  -4.505 -22.180
  500    H    ASN  62           H        ASN  62  10.108  -0.445 -21.126
  501    HA   ASN  62           HA       ASN  62  10.655  -1.040 -23.898
  502   1HB   ASN  62          HB2       ASN  62   9.165   0.823 -23.121
  503   2HB   ASN  62          HB3       ASN  62  10.576   1.651 -22.450
  504   1HD2  ASN  62          HD22      ASN  62  11.873   2.875 -23.806
  505   2HD2  ASN  62          HD21      ASN  62  11.569   3.055 -25.530
  506    H    GLY  63           H        GLY  63  12.654  -0.084 -21.150
  507   1HA   GLY  63          HA2       GLY  63  14.879   0.561 -21.005
  508   2HA   GLY  63          HA3       GLY  63  15.068   0.376 -22.750
  509    H    SER  64           H        SER  64  16.137   2.706 -22.071
  510    HA   SER  64           HA       SER  64  14.172   4.859 -22.421
  511   1HB   SER  64          HB2       SER  64  16.078   6.249 -22.959
  512   2HB   SER  64          HB3       SER  64  16.426   5.322 -21.493
  513    HG   SER  64           HG       SER  64  18.184   5.290 -22.922
  514    HA   PRO  65           HA       PRO  65  13.641   4.351 -26.922
  515   1HB   PRO  65          HB2       PRO  65  14.664   7.205 -26.931
  516   2HB   PRO  65          HB3       PRO  65  13.361   6.482 -27.928
  517   1HG   PRO  65          HG2       PRO  65  12.734   7.905 -25.707
  518   2HG   PRO  65          HG3       PRO  65  11.887   6.361 -26.047
  519   1HD   PRO  65          HD2       PRO  65  14.090   6.897 -24.067
  520   2HD   PRO  65          HD3       PRO  65  12.682   5.787 -23.944
  521    H    PHE  66           H        PHE  66  16.714   5.484 -25.499
  522    HA   PHE  66           HA       PHE  66  18.249   4.912 -27.945
  523   1HB   PHE  66          HB2       PHE  66  19.227   5.611 -25.153
  524   2HB   PHE  66          HB3       PHE  66  20.147   5.661 -26.647
  525    HD1  PHE  66           HD1      PHE  66  19.400   7.327 -28.494
  526    HD2  PHE  66           HD2      PHE  66  18.022   7.539 -24.408
  527    HE1  PHE  66           HE1      PHE  66  18.718   9.689 -28.841
  528    HE2  PHE  66           HE2      PHE  66  17.340   9.897 -24.763
  529    HZ   PHE  66           HZ       PHE  66  17.685  10.977 -26.979
  530    H    SER  67           H        SER  67  17.259   3.244 -25.003
  531    HA   SER  67           HA       SER  67  19.475   1.371 -24.867
  532   1HB   SER  67          HB2       SER  67  16.668   1.299 -23.709
  533   2HB   SER  67          HB3       SER  67  17.994   0.249 -23.218
  534    HG   SER  67           HG       SER  67  17.988   3.100 -22.965
  535    H    LYS  68           H        LYS  68  18.958  -1.011 -24.911
  536    HA   LYS  68           HA       LYS  68  16.590  -1.837 -26.414
  537   1HB   LYS  68          HB2       LYS  68  18.263  -1.800 -28.219
  538   2HB   LYS  68          HB3       LYS  68  19.366  -2.798 -27.257
  539   1HG   LYS  68          HG2       LYS  68  17.679  -4.631 -27.225
  540   2HG   LYS  68          HG3       LYS  68  16.574  -3.645 -28.184
  541   1HD   LYS  68          HD2       LYS  68  19.344  -4.542 -29.100
  542   2HD   LYS  68          HD3       LYS  68  17.840  -5.409 -29.445
  543   1HE   LYS  68          HE2       LYS  68  16.938  -3.387 -30.595
  544   2HE   LYS  68          HE3       LYS  68  18.472  -2.554 -30.319
  545   1HZ   LYS  68          HZ1       LYS  68  19.555  -4.268 -31.676
  546   2HZ   LYS  68          HZ2       LYS  68  18.125  -5.015 -31.935
  547   3HZ   LYS  68          HZ3       LYS  68  18.381  -3.523 -32.525
  548    H    VAL  69           H        VAL  69  15.759  -2.664 -24.512
  549    HA   VAL  69           HA       VAL  69  17.273  -4.345 -22.682
  550    HB   VAL  69           HB       VAL  69  14.267  -4.072 -23.180
  551   1HG1  VAL  69          HG11      VAL  69  14.026  -5.048 -20.891
  552   2HG1  VAL  69          HG12      VAL  69  14.716  -6.195 -22.036
  553   3HG1  VAL  69          HG13      VAL  69  15.773  -5.379 -20.871
  554   1HG2  VAL  69          HG21      VAL  69  16.042  -2.771 -21.070
  555   2HG2  VAL  69          HG22      VAL  69  15.239  -1.948 -22.417
  556   3HG2  VAL  69          HG23      VAL  69  14.272  -2.670 -21.133
  557    H    THR  70           H        THR  70  17.698  -6.524 -22.966
  558    HA   THR  70           HA       THR  70  16.325  -7.952 -25.200
  559    HB   THR  70           HB       THR  70  18.388  -9.316 -25.347
  560    HG1  THR  70           HG1      THR  70  19.386  -9.070 -23.418
  561   1HG2  THR  70          HG21      THR  70  18.952  -6.328 -25.630
  562   2HG2  THR  70          HG22      THR  70  19.772  -7.657 -26.476
  563   3HG2  THR  70          HG23      THR  70  18.067  -7.313 -26.818
  564    H    ASP  71           H        ASP  71  16.930  -7.853 -21.734
  565    HA   ASP  71           HA       ASP  71  15.007 -10.014 -21.409
  566   1HB   ASP  71          HB2       ASP  71  17.109 -11.305 -21.498
  567   2HB   ASP  71          HB3       ASP  71  17.829 -10.249 -20.283
  568    H    ILE  72           H        ILE  72  14.059  -9.946 -19.313
  569    HA   ILE  72           HA       ILE  72  14.908  -7.960 -17.377
  570    HB   ILE  72           HB       ILE  72  13.629  -6.558 -18.837
  571   1HG1  ILE  72          HG12      ILE  72  11.835  -7.212 -16.466
  572   2HG1  ILE  72          HG13      ILE  72  13.358  -6.330 -16.352
  573   1HG2  ILE  72          HG21      ILE  72  12.290  -8.257 -20.060
  574   2HG2  ILE  72          HG22      ILE  72  11.271  -8.478 -18.621
  575   3HG2  ILE  72          HG23      ILE  72  11.296  -6.931 -19.488
  576   1HD1  ILE  72          HD11      ILE  72  10.883  -5.426 -17.868
  577   2HD1  ILE  72          HD12      ILE  72  11.545  -4.744 -16.381
  578   3HD1  ILE  72          HD13      ILE  72  12.457  -4.590 -17.896
  579    H    SER  73           H        SER  73  14.078  -8.440 -15.316
  580    HA   SER  73           HA       SER  73  12.444 -10.900 -14.941
  581   1HB   SER  73          HB2       SER  73  15.153 -10.268 -13.661
  582   2HB   SER  73          HB3       SER  73  14.117 -11.650 -13.264
  583    HG   SER  73           HG       SER  73  15.782 -12.200 -14.737
  584    H    VAL  74           H        VAL  74  11.356 -10.891 -12.851
  585    HA   VAL  74           HA       VAL  74  11.372  -8.301 -11.388
  586    HB   VAL  74           HB       VAL  74   8.913  -9.746 -12.476
  587   1HG1  VAL  74          HG11      VAL  74   7.678  -7.696 -11.751
  588   2HG1  VAL  74          HG12      VAL  74   8.350  -8.607 -10.405
  589   3HG1  VAL  74          HG13      VAL  74   9.146  -7.118 -10.939
  590   1HG2  VAL  74          HG21      VAL  74   8.585  -7.727 -13.918
  591   2HG2  VAL  74          HG22      VAL  74  10.213  -7.178 -13.470
  592   3HG2  VAL  74          HG23      VAL  74   9.987  -8.692 -14.365
  593    H    THR  75           H        THR  75  10.930  -8.500  -9.218
  594    HA   THR  75           HA       THR  75   9.863 -11.046  -8.130
  595    HB   THR  75           HB       THR  75  12.095  -9.428  -6.818
  596    HG1  THR  75           HG1      THR  75  12.911 -10.404  -8.676
  597   1HG2  THR  75          HG21      THR  75  10.723 -10.762  -5.274
  598   2HG2  THR  75          HG22      THR  75  10.991 -12.218  -6.259
  599   3HG2  THR  75          HG23      THR  75  12.350 -11.441  -5.411
  600    H    GLU  76           H        GLU  76   7.829 -10.267  -7.565
  601    HA   GLU  76           HA       GLU  76   7.479  -7.569  -6.482
  602   1HB   GLU  76          HB2       GLU  76   5.146  -8.172  -6.261
  603   2HB   GLU  76          HB3       GLU  76   5.727  -8.498  -7.892
  604   1HG   GLU  76          HG2       GLU  76   5.928 -10.931  -7.307
  605   2HG   GLU  76          HG3       GLU  76   5.281 -10.578  -5.703
  606    H    SER  77           H        SER  77   6.870  -7.154  -4.351
  607    HA   SER  77           HA       SER  77   7.416  -9.178  -2.258
  608   1HB   SER  77          HB2       SER  77   8.946  -6.567  -2.665
  609   2HB   SER  77          HB3       SER  77   9.114  -7.651  -1.269
  610    HG   SER  77           HG       SER  77  10.752  -7.990  -2.808
  611    H    ARG  78           H        ARG  78   6.944  -8.246  -0.075
  612    HA   ARG  78           HA       ARG  78   5.304  -5.816  -0.004
  613   1HB   ARG  78          HB2       ARG  78   3.794  -7.817  -0.529
  614   2HB   ARG  78          HB3       ARG  78   4.163  -8.420   1.091
  615   1HG   ARG  78          HG2       ARG  78   3.192  -6.331   2.064
  616   2HG   ARG  78          HG3       ARG  78   2.954  -5.683   0.439
  617   1HD   ARG  78          HD2       ARG  78   0.836  -6.531   1.273
  618   2HD   ARG  78          HD3       ARG  78   1.378  -7.511  -0.084
  619    HE   ARG  78           HE       ARG  78   1.617  -9.342   1.276
  620   1HH1  ARG  78          HH21      ARG  78   1.073  -6.511   3.354
  621   2HH1  ARG  78          HH22      ARG  78   0.856  -7.433   4.794
  622   1HH2  ARG  78          HH11      ARG  78   1.337 -10.568   3.195
  623   2HH2  ARG  78          HH12      ARG  78   1.005  -9.792   4.696
  624    H    SER  79           H        SER  79   7.799  -5.954   0.804
  625    HA   SER  79           HA       SER  79   7.826  -6.143   3.770
  626   1HB   SER  79          HB2       SER  79   9.960  -7.198   1.859
  627   2HB   SER  79          HB3       SER  79  10.002  -7.247   3.633
  628    HG   SER  79           HG       SER  79   9.327  -9.238   2.719
  629    H    LEU  80           H        LEU  80   7.233  -3.904   3.007
  630    HA   LEU  80           HA       LEU  80   8.410  -2.420   1.111
  631   1HB   LEU  80          HB2       LEU  80   7.220  -1.383   3.712
  632   2HB   LEU  80          HB3       LEU  80   7.471  -0.416   2.275
  633    HG   LEU  80           HG       LEU  80   5.547  -2.745   2.584
  634   1HD1  LEU  80          HD11      LEU  80   5.082   0.210   2.004
  635   2HD1  LEU  80          HD12      LEU  80   3.831  -1.041   2.201
  636   3HD1  LEU  80          HD13      LEU  80   4.850  -0.588   3.575
  637   1HD2  LEU  80          HD21      LEU  80   4.764  -2.194   0.265
  638   2HD2  LEU  80          HD22      LEU  80   6.198  -1.160   0.065
  639   3HD2  LEU  80          HD23      LEU  80   6.370  -2.915   0.316
  640    H    GLU  81           H        GLU  81   9.736  -0.611   0.942
  641    HA   GLU  81           HA       GLU  81  12.286  -0.747   2.382
  642   1HB   GLU  81          HB2       GLU  81  11.224   1.323   0.399
  643   2HB   GLU  81          HB3       GLU  81  12.875   1.164   0.947
  644   1HG   GLU  81          HG2       GLU  81  11.342  -0.800  -0.806
  645   2HG   GLU  81          HG3       GLU  81  12.592   0.315  -1.326
  646    H    GLY  82           H        GLY  82   9.370   1.324   2.135
  647   1HA   GLY  82          HA2       GLY  82   8.603   3.072   3.417
  648   2HA   GLY  82          HA3       GLY  82   9.732   2.636   4.718
  649    H    HIS  83           H        HIS  83  10.321   3.421   1.274
  650    HA   HIS  83           HA       HIS  83  12.654   5.063   1.943
  651   1HB   HIS  83          HB2       HIS  83  11.821   3.503  -0.289
  652   2HB   HIS  83          HB3       HIS  83  11.758   5.153  -0.849
  653    HD1  HIS  83           HD1      HIS  83  14.044   5.755  -1.997
  654    HD2  HIS  83           HD2      HIS  83  14.346   3.065   1.240
  655    HE1  HIS  83           HE1      HIS  83  16.500   5.124  -1.797
  656    H    HIS  84           H        HIS  84  12.844   7.280   0.933
  657    HA   HIS  84           HA       HIS  84  10.257   8.789   0.959
  658   1HB   HIS  84          HB2       HIS  84  12.899   9.549   2.266
  659   2HB   HIS  84          HB3       HIS  84  11.495  10.599   2.141
  660    HD1  HIS  84           HD1      HIS  84   9.789   7.593   3.027
  661    HD2  HIS  84           HD2      HIS  84  12.462  10.190   4.986
  662    HE1  HIS  84           HE1      HIS  84   9.388   7.283   5.525
  663    H    ARG  85           H        ARG  85  12.631   7.848  -1.086
  664    HA   ARG  85           HA       ARG  85  12.252  10.095  -2.897
  665   1HB   ARG  85          HB2       ARG  85  14.757  10.279  -3.279
  666   2HB   ARG  85          HB3       ARG  85  14.181  10.988  -1.779
  667   1HG   ARG  85          HG2       ARG  85  15.041   9.199  -0.449
  668   2HG   ARG  85          HG3       ARG  85  15.375   8.179  -1.859
  669   1HD   ARG  85          HD2       ARG  85  17.220   9.468  -2.535
  670   2HD   ARG  85          HD3       ARG  85  16.678  10.886  -1.632
  671    HE   ARG  85           HE       ARG  85  17.639  10.147   0.278
  672   1HH1  ARG  85          HH22      ARG  85  17.761   7.424  -2.037
  673   2HH1  ARG  85          HH21      ARG  85  18.885   6.524  -1.080
  674   1HH2  ARG  85          HH11      ARG  85  19.084   8.910   1.529
  675   2HH2  ARG  85          HH12      ARG  85  19.624   7.368   0.988
  676    H    PHE  86           H        PHE  86  12.967   9.466  -5.077
  677    HA   PHE  86           HA       PHE  86  13.634   6.598  -5.387
  678   1HB   PHE  86          HB2       PHE  86  11.942   7.848  -6.995
  679   2HB   PHE  86          HB3       PHE  86  13.401   8.483  -7.714
  680    HD1  PHE  86           HD2      PHE  86  11.855   5.219  -6.587
  681    HD2  PHE  86           HD1      PHE  86  14.366   7.196  -9.419
  682    HE1  PHE  86           HE2      PHE  86  12.264   3.053  -7.718
  683    HE2  PHE  86           HE1      PHE  86  14.812   5.033 -10.564
  684    HZ   PHE  86           HZ       PHE  86  13.756   2.949  -9.701
  685    H    SER  87           H        SER  87  15.752   6.095  -6.152
  686    HA   SER  87           HA       SER  87  17.756   8.310  -5.921
  687   1HB   SER  87          HB2       SER  87  18.133   5.553  -4.757
  688   2HB   SER  87          HB3       SER  87  18.894   7.077  -4.290
  689    HG   SER  87           HG       SER  87  16.216   6.214  -3.858
  690    H    ILE  88           H        ILE  88  19.975   7.674  -6.679
  691    HA   ILE  88           HA       ILE  88  19.982   5.496  -8.691
  692    HB   ILE  88           HB       ILE  88  21.626   8.042  -8.922
  693   1HG1  ILE  88          HG12      ILE  88  19.135   7.213 -10.451
  694   2HG1  ILE  88          HG13      ILE  88  19.288   8.609  -9.363
  695   1HG2  ILE  88          HG21      ILE  88  22.602   5.937  -9.941
  696   2HG2  ILE  88          HG22      ILE  88  21.127   5.787 -10.928
  697   3HG2  ILE  88          HG23      ILE  88  22.227   7.164 -11.138
  698   1HD1  ILE  88          HD11      ILE  88  20.526   8.277 -12.114
  699   2HD1  ILE  88          HD12      ILE  88  19.301   9.429 -11.604
  700   3HD1  ILE  88          HD13      ILE  88  20.957   9.589 -10.981
  701    H    VAL  89           H        VAL  89  21.683   4.061  -8.371
  702    HA   VAL  89           HA       VAL  89  23.853   4.826  -6.511
  703    HB   VAL  89           HB       VAL  89  23.084   1.982  -6.276
  704   1HG1  VAL  89          HG11      VAL  89  24.861   3.044  -4.935
  705   2HG1  VAL  89          HG12      VAL  89  23.664   4.144  -4.217
  706   3HG1  VAL  89          HG13      VAL  89  23.576   2.396  -3.913
  707   1HG2  VAL  89          HG21      VAL  89  21.279   2.291  -4.637
  708   2HG2  VAL  89          HG22      VAL  89  21.216   4.028  -5.005
  709   3HG2  VAL  89          HG23      VAL  89  20.779   2.820  -6.241
  710    H    TYR  90           H        TYR  90  25.694   3.090  -6.721
  711    HA   TYR  90           HA       TYR  90  26.173   2.831  -9.647
  712   1HB   TYR  90          HB2       TYR  90  27.931   4.299  -7.650
  713   2HB   TYR  90          HB3       TYR  90  28.155   4.180  -9.389
  714    HD1  TYR  90           HD1      TYR  90  26.472   5.349 -10.930
  715    HD2  TYR  90           HD2      TYR  90  26.525   5.967  -6.662
  716    HE1  TYR  90           HE1      TYR  90  25.126   7.410 -11.215
  717    HE2  TYR  90           HE2      TYR  90  25.159   8.013  -6.934
  718    HH   TYR  90           HH       TYR  90  24.112   9.224 -10.152
  719    H    SER  91           H        SER  91  25.990   0.542  -9.233
  720    HA   SER  91           HA       SER  91  26.697  -1.538  -8.766
  721   1HB   SER  91          HB2       SER  91  29.493  -0.376  -8.892
  722   2HB   SER  91          HB3       SER  91  29.018  -2.056  -9.170
  723    HG   SER  91           HG       SER  91  29.370  -0.612 -11.069
  Start of MODEL   18
    1   1H    MET   1          H1        MET   1  -0.779  -0.948  -1.998
    2   2H    MET   1          H2        MET   1  -0.596  -1.064  -0.382
    3   3H    MET   1          H3        MET   1  -0.837   0.406  -1.075
    4    HA   MET   1           HA       MET   1   1.290   0.253  -2.227
    5   1HB   MET   1          HB2       MET   1   1.363  -0.088   0.802
    6   2HB   MET   1          HB3       MET   1   2.800   0.198  -0.168
    7   1HG   MET   1          HG2       MET   1   0.402   2.058  -0.055
    8   2HG   MET   1          HG3       MET   1   1.891   2.261   0.850
    9   1HE   MET   1          HE1       MET   1   4.138   3.005  -0.041
   10   2HE   MET   1          HE2       MET   1   4.294   1.670  -1.209
   11   3HE   MET   1          HE3       MET   1   4.525   3.349  -1.737
   12    H    LEU   2           H        LEU   2   2.939  -1.000  -3.000
   13    HA   LEU   2           HA       LEU   2   3.500  -3.662  -1.872
   14   1HB   LEU   2          HB2       LEU   2   2.687  -3.092  -4.770
   15   2HB   LEU   2          HB3       LEU   2   3.534  -4.553  -4.297
   16    HG   LEU   2           HG       LEU   2   0.760  -3.794  -3.321
   17   1HD1  LEU   2          HD11      LEU   2   1.673  -5.865  -5.362
   18   2HD1  LEU   2          HD12      LEU   2   0.007  -5.610  -4.797
   19   3HD1  LEU   2          HD13      LEU   2   0.827  -4.344  -5.721
   20   1HD2  LEU   2          HD21      LEU   2   0.699  -6.152  -2.502
   21   2HD2  LEU   2          HD22      LEU   2   2.416  -6.336  -2.929
   22   3HD2  LEU   2          HD23      LEU   2   1.917  -5.191  -1.665
   23    H    GLN   3           H        GLN   3   5.415  -4.538  -3.382
   24    HA   GLN   3           HA       GLN   3   7.233  -2.363  -4.195
   25   1HB   GLN   3          HB2       GLN   3   7.940  -2.781  -1.952
   26   2HB   GLN   3          HB3       GLN   3   7.723  -4.529  -2.114
   27   1HG   GLN   3          HG2       GLN   3   9.660  -4.710  -3.578
   28   2HG   GLN   3          HG3       GLN   3   9.851  -2.955  -3.601
   29   1HE2  GLN   3          HE22      GLN   3  10.325  -1.896  -1.467
   30   2HE2  GLN   3          HE21      GLN   3  11.511  -2.726  -0.488
   31    H    TYR   4           H        TYR   4   8.792  -3.080  -5.748
   32    HA   TYR   4           HA       TYR   4   8.973  -5.930  -6.187
   33   1HB   TYR   4          HB2       TYR   4   8.923  -5.808  -8.661
   34   2HB   TYR   4          HB3       TYR   4   7.387  -5.587  -7.871
   35    HD1  TYR   4           HD1      TYR   4  10.126  -3.051  -8.755
   36    HD2  TYR   4           HD2      TYR   4   6.084  -4.469  -9.360
   37    HE1  TYR   4           HE1      TYR   4   9.737  -1.241 -10.365
   38    HE2  TYR   4           HE2      TYR   4   5.713  -2.680 -10.998
   39    HH   TYR   4           HH       TYR   4   6.603  -0.838 -12.060
   40    H    ARG   5           H        ARG   5  10.816  -6.432  -7.642
   41    HA   ARG   5           HA       ARG   5  12.925  -4.366  -7.737
   42   1HB   ARG   5          HB2       ARG   5  13.176  -5.932  -5.709
   43   2HB   ARG   5          HB3       ARG   5  13.452  -7.242  -6.858
   44   1HG   ARG   5          HG2       ARG   5  15.476  -6.074  -7.710
   45   2HG   ARG   5          HG3       ARG   5  15.119  -4.688  -6.656
   46   1HD   ARG   5          HD2       ARG   5  15.181  -6.323  -4.684
   47   2HD   ARG   5          HD3       ARG   5  15.846  -7.522  -5.810
   48    HE   ARG   5           HE       ARG   5  17.391  -5.100  -5.925
   49   1HH1  ARG   5          HH21      ARG   5  16.774  -7.769  -3.644
   50   2HH1  ARG   5          HH22      ARG   5  18.283  -7.580  -2.834
   51   1HH2  ARG   5          HH11      ARG   5  19.318  -4.900  -4.959
   52   2HH2  ARG   5          HH12      ARG   5  19.796  -5.860  -3.569
   53    H    ILE   6           H        ILE   6  13.912  -4.463  -9.770
   54    HA   ILE   6           HA       ILE   6  13.082  -6.645 -11.606
   55    HB   ILE   6           HB       ILE   6  12.830  -3.642 -12.092
   56   1HG1  ILE   6          HG12      ILE   6  10.785  -5.878 -11.844
   57   2HG1  ILE   6          HG13      ILE   6  10.983  -4.501 -10.767
   58   1HG2  ILE   6          HG21      ILE   6  12.256  -5.915 -14.044
   59   2HG2  ILE   6          HG22      ILE   6  12.031  -4.181 -14.344
   60   3HG2  ILE   6          HG23      ILE   6  13.648  -4.821 -14.134
   61   1HD1  ILE   6          HD11      ILE   6  10.276  -2.980 -12.638
   62   2HD1  ILE   6          HD12      ILE   6   9.895  -4.433 -13.602
   63   3HD1  ILE   6          HD13      ILE   6   9.040  -4.134 -12.087
   64    H    ILE   7           H        ILE   7  14.684  -7.204 -13.040
   65    HA   ILE   7           HA       ILE   7  17.259  -5.705 -12.898
   66    HB   ILE   7           HB       ILE   7  17.041  -8.638 -13.617
   67   1HG1  ILE   7          HG12      ILE   7  16.220  -8.703 -11.366
   68   2HG1  ILE   7          HG13      ILE   7  17.868  -9.290 -11.400
   69   1HG2  ILE   7          HG21      ILE   7  19.048  -7.499 -14.351
   70   2HG2  ILE   7          HG22      ILE   7  19.371  -6.907 -12.714
   71   3HG2  ILE   7          HG23      ILE   7  19.444  -8.651 -13.070
   72   1HD1  ILE   7          HD11      ILE   7  16.896  -6.620 -10.324
   73   2HD1  ILE   7          HD12      ILE   7  17.642  -7.953  -9.438
   74   3HD1  ILE   7          HD13      ILE   7  18.610  -6.988 -10.568
   75    H    VAL   8           H        VAL   8  18.072  -5.165 -14.968
   76    HA   VAL   8           HA       VAL   8  16.519  -6.061 -17.341
   77    HB   VAL   8           HB       VAL   8  17.313  -3.160 -16.845
   78   1HG1  VAL   8          HG11      VAL   8  15.811  -2.711 -18.756
   79   2HG1  VAL   8          HG12      VAL   8  17.086  -3.839 -19.228
   80   3HG1  VAL   8          HG13      VAL   8  15.450  -4.444 -18.895
   81   1HG2  VAL   8          HG21      VAL   8  15.547  -3.617 -15.230
   82   2HG2  VAL   8          HG22      VAL   8  14.867  -2.691 -16.568
   83   3HG2  VAL   8          HG23      VAL   8  14.571  -4.437 -16.471
   84    H    ASP   9           H        ASP   9  17.819  -6.442 -19.089
   85    HA   ASP   9           HA       ASP   9  20.755  -5.956 -18.823
   86   1HB   ASP   9          HB2       ASP   9  20.114  -8.277 -18.205
   87   2HB   ASP   9          HB3       ASP   9  19.287  -8.441 -19.753
   88    H    GLY  10           H        GLY  10  21.808  -5.752 -20.895
   89   1HA   GLY  10          HA2       GLY  10  21.503  -6.149 -23.361
   90   2HA   GLY  10          HA3       GLY  10  20.012  -5.217 -23.221
   91    H    ARG  11           H        ARG  11  20.842  -3.699 -24.735
   92    HA   ARG  11           HA       ARG  11  23.123  -1.981 -23.974
   93   1HB   ARG  11          HB2       ARG  11  22.634  -2.358 -26.376
   94   2HB   ARG  11          HB3       ARG  11  21.037  -1.626 -26.175
   95   1HG   ARG  11          HG2       ARG  11  22.128   0.519 -25.466
   96   2HG   ARG  11          HG3       ARG  11  23.710  -0.245 -25.653
   97   1HD   ARG  11          HD2       ARG  11  23.310   1.098 -27.584
   98   2HD   ARG  11          HD3       ARG  11  23.223  -0.586 -28.082
   99    HE   ARG  11           HE       ARG  11  20.908   1.290 -27.657
  100   1HH1  ARG  11          HH21      ARG  11  22.187  -1.586 -29.332
  101   2HH1  ARG  11          HH22      ARG  11  20.841  -1.704 -30.402
  102   1HH2  ARG  11          HH11      ARG  11  19.171   1.106 -28.981
  103   2HH2  ARG  11          HH12      ARG  11  19.045  -0.136 -30.190
  104    H    VAL  12           H        VAL  12  22.381  -1.521 -21.835
  105    HA   VAL  12           HA       VAL  12  20.334   0.654 -21.786
  106    HB   VAL  12           HB       VAL  12  19.750  -0.161 -19.471
  107   1HG1  VAL  12          HG11      VAL  12  18.090  -1.759 -20.277
  108   2HG1  VAL  12          HG12      VAL  12  18.243  -0.402 -21.396
  109   3HG1  VAL  12          HG13      VAL  12  18.983  -1.970 -21.798
  110   1HG2  VAL  12          HG21      VAL  12  21.629  -1.792 -19.152
  111   2HG2  VAL  12          HG22      VAL  12  20.022  -2.474 -18.876
  112   3HG2  VAL  12          HG23      VAL  12  20.878  -2.836 -20.380
  113    H    GLN  13           H        GLN  13  23.464  -0.533 -20.612
  114    HA   GLN  13           HA       GLN  13  23.656   1.665 -18.665
  115   1HB   GLN  13          HB2       GLN  13  25.659  -0.492 -19.464
  116   2HB   GLN  13          HB3       GLN  13  25.926   0.747 -18.226
  117   1HG   GLN  13          HG2       GLN  13  23.829  -0.063 -17.066
  118   2HG   GLN  13          HG3       GLN  13  23.797  -1.435 -18.178
  119   1HE2  GLN  13          HE22      GLN  13  23.934  -1.753 -15.361
  120   2HE2  GLN  13          HE21      GLN  13  25.496  -2.376 -14.912
  121    H    GLY  14           H        GLY  14  25.096   0.825 -21.850
  122   1HA   GLY  14          HA2       GLY  14  26.817   3.112 -21.988
  123   2HA   GLY  14          HA3       GLY  14  26.328   2.058 -23.323
  124    H    VAL  15           H        VAL  15  23.502   3.135 -21.928
  125    HA   VAL  15           HA       VAL  15  23.232   5.522 -23.673
  126    HB   VAL  15           HB       VAL  15  20.965   4.599 -24.276
  127   1HG1  VAL  15          HG11      VAL  15  22.905   4.454 -25.814
  128   2HG1  VAL  15          HG12      VAL  15  23.297   2.850 -25.159
  129   3HG1  VAL  15          HG13      VAL  15  21.764   3.118 -26.015
  130   1HG2  VAL  15          HG21      VAL  15  22.050   1.969 -23.122
  131   2HG2  VAL  15          HG22      VAL  15  20.709   2.941 -22.459
  132   3HG2  VAL  15          HG23      VAL  15  20.566   2.192 -24.056
  133    H    GLY  16           H        GLY  16  23.434   4.775 -20.570
  134   1HA   GLY  16          HA2       GLY  16  22.856   5.953 -18.725
  135   2HA   GLY  16          HA3       GLY  16  22.169   7.171 -19.809
  136    H    PHE  17           H        PHE  17  20.949   3.803 -19.624
  137    HA   PHE  17           HA       PHE  17  18.274   4.545 -19.445
  138   1HB   PHE  17          HB2       PHE  17  19.034   2.346 -20.131
  139   2HB   PHE  17          HB3       PHE  17  19.683   2.032 -18.519
  140    HD1  PHE  17           HD1      PHE  17  16.330   3.283 -19.757
  141    HD2  PHE  17           HD2      PHE  17  18.495   0.309 -17.502
  142    HE1  PHE  17           HE1      PHE  17  14.197   2.191 -19.138
  143    HE2  PHE  17           HE2      PHE  17  16.367  -0.800 -16.923
  144    HZ   PHE  17           HZ       PHE  17  14.215   0.122 -17.749
  145    H    ARG  18           H        ARG  18  20.563   4.198 -16.727
  146    HA   ARG  18           HA       ARG  18  18.688   4.041 -14.629
  147   1HB   ARG  18          HB2       ARG  18  21.261   5.663 -14.479
  148   2HB   ARG  18          HB3       ARG  18  20.371   4.904 -13.158
  149   1HG   ARG  18          HG2       ARG  18  20.929   2.641 -14.167
  150   2HG   ARG  18          HG3       ARG  18  21.922   3.497 -15.361
  151   1HD   ARG  18          HD2       ARG  18  23.100   4.570 -13.282
  152   2HD   ARG  18          HD3       ARG  18  22.358   3.238 -12.373
  153    HE   ARG  18           HE       ARG  18  23.744   2.374 -14.776
  154   1HH1  ARG  18          HH11      ARG  18  24.382   3.198 -11.300
  155   2HH1  ARG  18          HH12      ARG  18  25.948   2.400 -11.395
  156   1HH2  ARG  18          HH21      ARG  18  25.905   1.453 -14.677
  157   2HH2  ARG  18          HH22      ARG  18  26.740   1.506 -13.135
  158    H    TYR  19           H        TYR  19  19.688   6.922 -16.515
  159    HA   TYR  19           HA       TYR  19  18.329   8.789 -14.755
  160   1HB   TYR  19          HB2       TYR  19  19.311   9.069 -17.624
  161   2HB   TYR  19          HB3       TYR  19  18.652  10.372 -16.653
  162    HD1  TYR  19           HD2      TYR  19  19.855  11.222 -14.636
  163    HD2  TYR  19           HD1      TYR  19  21.614   8.294 -17.274
  164    HE1  TYR  19           HE2      TYR  19  22.081  11.702 -13.674
  165    HE2  TYR  19           HE1      TYR  19  23.845   8.754 -16.306
  166    HH   TYR  19           HH       TYR  19  24.364  11.217 -13.738
  167    H    PHE  20           H        PHE  20  17.455   7.015 -17.778
  168    HA   PHE  20           HA       PHE  20  14.955   8.304 -18.187
  169   1HB   PHE  20          HB2       PHE  20  16.078   6.855 -19.851
  170   2HB   PHE  20          HB3       PHE  20  15.780   5.443 -18.844
  171    HD1  PHE  20           HD1      PHE  20  14.175   8.018 -20.992
  172    HD2  PHE  20           HD2      PHE  20  13.605   4.384 -18.739
  173    HE1  PHE  20           HE1      PHE  20  11.980   7.670 -22.099
  174    HE2  PHE  20           HE2      PHE  20  11.431   4.019 -19.879
  175    HZ   PHE  20           HZ       PHE  20  10.609   5.666 -21.552
  176    H    VAL  21           H        VAL  21  15.815   5.298 -16.388
  177    HA   VAL  21           HA       VAL  21  13.247   4.767 -15.329
  178    HB   VAL  21           HB       VAL  21  16.019   4.199 -14.192
  179   1HG1  VAL  21          HG11      VAL  21  13.374   2.840 -13.538
  180   2HG1  VAL  21          HG12      VAL  21  14.968   2.412 -12.900
  181   3HG1  VAL  21          HG13      VAL  21  14.246   3.947 -12.447
  182   1HG2  VAL  21          HG21      VAL  21  15.694   1.940 -15.155
  183   2HG2  VAL  21          HG22      VAL  21  14.141   2.453 -15.849
  184   3HG2  VAL  21          HG23      VAL  21  15.652   3.162 -16.419
  185    H    GLN  22           H        GLN  22  15.896   6.882 -14.048
  186    HA   GLN  22           HA       GLN  22  14.684   7.504 -11.612
  187   1HB   GLN  22          HB2       GLN  22  17.056   8.149 -12.518
  188   2HB   GLN  22          HB3       GLN  22  16.290   9.511 -13.282
  189   1HG   GLN  22          HG2       GLN  22  17.169  10.275 -11.202
  190   2HG   GLN  22          HG3       GLN  22  15.409  10.245 -11.031
  191   1HE2  GLN  22          HE22      GLN  22  17.026   7.147 -10.977
  192   2HE2  GLN  22          HE21      GLN  22  16.925   6.880  -9.246
  193    H    MET  23           H        MET  23  14.326   9.178 -14.761
  194    HA   MET  23           HA       MET  23  12.590  11.204 -13.694
  195   1HB   MET  23          HB2       MET  23  13.149  10.275 -16.544
  196   2HB   MET  23          HB3       MET  23  12.232  11.731 -16.114
  197   1HG   MET  23          HG2       MET  23  14.170  12.669 -14.947
  198   2HG   MET  23          HG3       MET  23  15.091  11.197 -15.181
  199   1HE   MET  23          HE1       MET  23  12.825  13.242 -17.824
  200   2HE   MET  23          HE2       MET  23  13.656  14.444 -16.807
  201   3HE   MET  23          HE3       MET  23  14.095  14.268 -18.520
  202    H    GLU  24           H        GLU  24  11.986   8.063 -15.350
  203    HA   GLU  24           HA       GLU  24   9.146   8.441 -15.474
  204   1HB   GLU  24          HB2       GLU  24  10.905   5.963 -15.609
  205   2HB   GLU  24          HB3       GLU  24   9.154   5.916 -15.818
  206   1HG   GLU  24          HG2       GLU  24  11.063   7.530 -17.571
  207   2HG   GLU  24          HG3       GLU  24  10.376   5.965 -17.977
  208    H    ALA  25           H        ALA  25  11.269   7.200 -12.882
  209    HA   ALA  25           HA       ALA  25   9.075   6.294 -11.219
  210   1HB   ALA  25          HB1       ALA  25  10.762   6.322  -9.425
  211   2HB   ALA  25          HB2       ALA  25  11.430   5.553 -10.873
  212   3HB   ALA  25          HB3       ALA  25  11.888   7.214 -10.465
  213    H    ASP  26           H        ASP  26  11.012   9.314 -11.461
  214    HA   ASP  26           HA       ASP  26   9.852  10.658  -9.269
  215   1HB   ASP  26          HB2       ASP  26  11.940  11.399 -10.254
  216   2HB   ASP  26          HB3       ASP  26  11.145  11.742 -11.795
  217    H    LYS  27           H        LYS  27   8.877  10.749 -12.774
  218    HA   LYS  27           HA       LYS  27   6.782  12.603 -12.240
  219   1HB   LYS  27          HB2       LYS  27   6.046  12.285 -14.474
  220   2HB   LYS  27          HB3       LYS  27   7.795  12.295 -14.434
  221   1HG   LYS  27          HG2       LYS  27   7.533  10.569 -15.861
  222   2HG   LYS  27          HG3       LYS  27   7.489   9.638 -14.362
  223   1HD   LYS  27          HD2       LYS  27   5.012   9.647 -14.431
  224   2HD   LYS  27          HD3       LYS  27   5.030  10.623 -15.897
  225   1HE   LYS  27          HE2       LYS  27   6.324   7.867 -15.663
  226   2HE   LYS  27          HE3       LYS  27   4.666   8.121 -16.220
  227   1HZ   LYS  27          HZ1       LYS  27   5.511   9.386 -18.087
  228   2HZ   LYS  27          HZ2       LYS  27   7.076   9.228 -17.555
  229   3HZ   LYS  27          HZ3       LYS  27   6.293   7.931 -18.032
  230    H    ARG  28           H        ARG  28   6.951   9.300 -11.372
  231    HA   ARG  28           HA       ARG  28   4.000   9.234 -10.887
  232   1HB   ARG  28          HB2       ARG  28   6.080   6.999 -10.840
  233   2HB   ARG  28          HB3       ARG  28   4.380   6.798 -10.436
  234   1HG   ARG  28          HG2       ARG  28   5.565   7.439 -13.146
  235   2HG   ARG  28          HG3       ARG  28   4.770   5.954 -12.646
  236   1HD   ARG  28          HD2       ARG  28   3.447   8.674 -13.016
  237   2HD   ARG  28          HD3       ARG  28   3.372   7.303 -14.113
  238    HE   ARG  28           HE       ARG  28   2.234   7.336 -11.334
  239   1HH1  ARG  28          HH21      ARG  28   1.863   6.423 -14.750
  240   2HH1  ARG  28          HH22      ARG  28   0.452   5.468 -14.480
  241   1HH2  ARG  28          HH11      ARG  28   0.192   6.321 -11.047
  242   2HH2  ARG  28          HH12      ARG  28  -0.584   5.536 -12.370
  243    H    LYS  29           H        LYS  29   6.713  10.323  -9.379
  244    HA   LYS  29           HA       LYS  29   7.658  10.284  -7.358
  245   1HB   LYS  29          HB2       LYS  29   4.757  10.683  -6.532
  246   2HB   LYS  29          HB3       LYS  29   6.151  11.046  -5.514
  247   1HG   LYS  29          HG2       LYS  29   5.595  12.375  -8.201
  248   2HG   LYS  29          HG3       LYS  29   5.176  13.048  -6.629
  249   1HD   LYS  29          HD2       LYS  29   7.515  13.203  -5.973
  250   2HD   LYS  29          HD3       LYS  29   8.039  12.376  -7.451
  251   1HE   LYS  29          HE2       LYS  29   7.057  14.186  -8.825
  252   2HE   LYS  29          HE3       LYS  29   6.612  15.060  -7.348
  253   1HZ   LYS  29          HZ1       LYS  29   8.985  15.166  -6.802
  254   2HZ   LYS  29          HZ2       LYS  29   9.377  14.351  -8.178
  255   3HZ   LYS  29          HZ3       LYS  29   8.708  15.844  -8.261
  256    H    LEU  30           H        LEU  30   7.617   7.772  -8.236
  257    HA   LEU  30           HA       LEU  30   6.883   5.950  -6.033
  258   1HB   LEU  30          HB2       LEU  30   8.650   5.683  -8.502
  259   2HB   LEU  30          HB3       LEU  30   8.468   4.398  -7.314
  260    HG   LEU  30           HG       LEU  30   6.142   5.605  -8.881
  261   1HD1  LEU  30          HD11      LEU  30   7.695   4.420 -10.367
  262   2HD1  LEU  30          HD12      LEU  30   7.648   2.998  -9.303
  263   3HD1  LEU  30          HD13      LEU  30   6.186   3.515 -10.174
  264   1HD2  LEU  30          HD21      LEU  30   6.323   3.132  -7.113
  265   2HD2  LEU  30          HD22      LEU  30   5.360   4.594  -6.788
  266   3HD2  LEU  30          HD23      LEU  30   4.938   3.542  -8.140
  267    H    ALA  31           H        ALA  31   8.746   4.756  -4.897
  268    HA   ALA  31           HA       ALA  31  11.067   6.533  -4.408
  269   1HB   ALA  31          HB1       ALA  31   9.284   5.353  -2.234
  270   2HB   ALA  31          HB2       ALA  31  10.793   6.257  -1.997
  271   3HB   ALA  31          HB3       ALA  31   9.378   7.077  -2.681
  272    H    GLY  32           H        GLY  32  12.958   5.425  -3.841
  273   1HA   GLY  32          HA2       GLY  32  13.632   2.855  -3.319
  274   2HA   GLY  32          HA3       GLY  32  12.851   2.687  -4.889
  275    H    TRP  33           H        TRP  33  14.841   2.016  -5.923
  276    HA   TRP  33           HA       TRP  33  16.715   4.214  -6.463
  277   1HB   TRP  33          HB2       TRP  33  18.685   2.893  -6.010
  278   2HB   TRP  33          HB3       TRP  33  17.730   3.104  -4.567
  279    HD1  TRP  33           HD1      TRP  33  18.047   0.265  -7.258
  280    HE1  TRP  33           HE1      TRP  33  18.329  -1.987  -6.036
  281    HE3  TRP  33           HE3      TRP  33  17.648   1.898  -2.409
  282    HZ2  TRP  33           HZ2      TRP  33  18.540  -2.909  -3.357
  283    HZ3  TRP  33           HZ3      TRP  33  17.925   0.298  -0.540
  284    HH2  TRP  33           HH2      TRP  33  18.386  -2.105  -0.992
  285    H    VAL  34           H        VAL  34  18.179   3.810  -8.262
  286    HA   VAL  34           HA       VAL  34  17.829   1.255  -9.665
  287    HB   VAL  34           HB       VAL  34  16.429   2.657 -10.979
  288   1HG1  VAL  34          HG11      VAL  34  17.131   4.732 -12.065
  289   2HG1  VAL  34          HG12      VAL  34  17.214   4.881 -10.306
  290   3HG1  VAL  34          HG13      VAL  34  18.705   4.663 -11.241
  291   1HG2  VAL  34          HG21      VAL  34  19.088   2.463 -12.454
  292   2HG2  VAL  34          HG22      VAL  34  17.974   1.110 -12.191
  293   3HG2  VAL  34          HG23      VAL  34  17.463   2.496 -13.163
  294    H    LYS  35           H        LYS  35  19.791   0.419 -10.380
  295    HA   LYS  35           HA       LYS  35  22.258   1.994 -10.223
  296   1HB   LYS  35          HB2       LYS  35  23.178   0.709  -8.362
  297   2HB   LYS  35          HB3       LYS  35  21.758   1.628  -7.853
  298   1HG   LYS  35          HG2       LYS  35  20.370  -0.352  -7.809
  299   2HG   LYS  35          HG3       LYS  35  21.631  -1.320  -8.557
  300   1HD   LYS  35          HD2       LYS  35  23.102  -0.714  -6.485
  301   2HD   LYS  35          HD3       LYS  35  21.598  -0.106  -5.771
  302   1HE   LYS  35          HE2       LYS  35  21.830  -2.359  -4.999
  303   2HE   LYS  35          HE3       LYS  35  20.561  -2.357  -6.220
  304   1HZ   LYS  35          HZ1       LYS  35  22.610  -2.966  -7.764
  305   2HZ   LYS  35          HZ2       LYS  35  23.225  -3.532  -6.355
  306   3HZ   LYS  35          HZ3       LYS  35  21.783  -4.110  -6.919
  307    H    ASN  36           H        ASN  36  24.192   0.331 -10.289
  308    HA   ASN  36           HA       ASN  36  23.829  -1.662 -12.404
  309   1HB   ASN  36          HB2       ASN  36  25.956  -0.413 -12.115
  310   2HB   ASN  36          HB3       ASN  36  26.145  -1.087 -10.498
  311   1HD2  ASN  36          HD22      ASN  36  27.538  -2.866 -10.416
  312   2HD2  ASN  36          HD21      ASN  36  27.805  -3.947 -11.762
  313    H    ARG  37           H        ARG  37  24.231  -3.969 -12.052
  314    HA   ARG  37           HA       ARG  37  24.219  -4.912  -9.240
  315   1HB   ARG  37          HB2       ARG  37  21.956  -5.185 -10.298
  316   2HB   ARG  37          HB3       ARG  37  22.672  -6.240 -11.519
  317   1HG   ARG  37          HG2       ARG  37  23.302  -7.864  -9.798
  318   2HG   ARG  37          HG3       ARG  37  22.807  -6.748  -8.505
  319   1HD   ARG  37          HD2       ARG  37  20.473  -6.851  -9.268
  320   2HD   ARG  37          HD3       ARG  37  20.937  -7.893 -10.618
  321    HE   ARG  37           HE       ARG  37  21.142  -9.702  -9.218
  322   1HH1  ARG  37          HH21      ARG  37  20.542  -6.793  -7.196
  323   2HH1  ARG  37          HH22      ARG  37  20.297  -7.724  -5.763
  324   1HH2  ARG  37          HH11      ARG  37  20.753 -10.880  -7.304
  325   2HH2  ARG  37          HH12      ARG  37  20.378 -10.078  -5.830
  326    H    ASP  38           H        ASP  38  25.657  -6.578  -8.916
  327    HA   ASP  38           HA       ASP  38  28.018  -6.171 -10.199
  328   1HB   ASP  38          HB2       ASP  38  27.784  -7.018  -7.923
  329   2HB   ASP  38          HB3       ASP  38  27.178  -8.562  -8.527
  330    H    ASP  39           H        ASP  39  25.700  -8.722 -11.048
  331    HA   ASP  39           HA       ASP  39  27.457 -10.338 -12.603
  332   1HB   ASP  39          HB2       ASP  39  25.215 -11.036 -11.803
  333   2HB   ASP  39          HB3       ASP  39  24.468  -9.906 -12.937
  334    H    GLY  40           H        GLY  40  26.109  -7.206 -13.252
  335   1HA   GLY  40          HA2       GLY  40  27.292  -5.915 -14.903
  336   2HA   GLY  40          HA3       GLY  40  27.174  -7.259 -16.047
  337    H    ARG  41           H        ARG  41  24.553  -5.962 -13.909
  338    HA   ARG  41           HA       ARG  41  22.943  -5.426 -16.380
  339   1HB   ARG  41          HB2       ARG  41  21.770  -6.646 -13.869
  340   2HB   ARG  41          HB3       ARG  41  21.059  -6.547 -15.472
  341   1HG   ARG  41          HG2       ARG  41  23.281  -8.381 -14.550
  342   2HG   ARG  41          HG3       ARG  41  21.619  -8.822 -14.955
  343   1HD   ARG  41          HD2       ARG  41  21.965  -8.704 -17.229
  344   2HD   ARG  41          HD3       ARG  41  23.310  -7.566 -17.108
  345    HE   ARG  41           HE       ARG  41  23.880 -10.146 -15.891
  346   1HH1  ARG  41          HH21      ARG  41  23.862  -8.510 -19.071
  347   2HH1  ARG  41          HH22      ARG  41  25.239  -9.403 -19.639
  348   1HH2  ARG  41          HH11      ARG  41  25.501 -11.290 -16.610
  349   2HH2  ARG  41          HH12      ARG  41  26.184 -11.125 -18.218
  350    H    VAL  42           H        VAL  42  20.800  -4.246 -15.615
  351    HA   VAL  42           HA       VAL  42  21.543  -2.171 -13.593
  352    HB   VAL  42           HB       VAL  42  19.392  -2.111 -15.756
  353   1HG1  VAL  42          HG11      VAL  42  18.640  -0.860 -13.771
  354   2HG1  VAL  42          HG12      VAL  42  20.199  -0.016 -13.674
  355   3HG1  VAL  42          HG13      VAL  42  19.100   0.274 -15.040
  356   1HG2  VAL  42          HG21      VAL  42  20.757  -0.263 -16.705
  357   2HG2  VAL  42          HG22      VAL  42  21.977  -0.511 -15.441
  358   3HG2  VAL  42          HG23      VAL  42  21.675  -1.769 -16.669
  359    H    GLU  43           H        GLU  43  20.134  -1.952 -11.843
  360    HA   GLU  43           HA       GLU  43  17.984  -3.972 -11.488
  361   1HB   GLU  43          HB2       GLU  43  19.846  -4.752 -10.182
  362   2HB   GLU  43          HB3       GLU  43  20.182  -3.122  -9.564
  363   1HG   GLU  43          HG2       GLU  43  17.856  -3.227  -8.455
  364   2HG   GLU  43          HG3       GLU  43  17.840  -4.944  -8.872
  365    H    ILE  44           H        ILE  44  16.157  -3.062 -10.726
  366    HA   ILE  44           HA       ILE  44  16.114  -0.231  -9.819
  367    HB   ILE  44           HB       ILE  44  14.072  -1.758 -11.482
  368   1HG1  ILE  44          HG12      ILE  44  15.801   0.438 -12.672
  369   2HG1  ILE  44          HG13      ILE  44  16.331  -1.227 -12.747
  370   1HG2  ILE  44          HG21      ILE  44  14.305   1.210 -10.836
  371   2HG2  ILE  44          HG22      ILE  44  13.057   0.485 -11.869
  372   3HG2  ILE  44          HG23      ILE  44  13.112   0.084 -10.156
  373   1HD1  ILE  44          HD11      ILE  44  14.299  -1.937 -13.822
  374   2HD1  ILE  44          HD12      ILE  44  13.733  -0.243 -13.890
  375   3HD1  ILE  44          HD13      ILE  44  15.198  -0.728 -14.768
  376    H    LEU  45           H        LEU  45  14.746   0.029  -7.977
  377    HA   LEU  45           HA       LEU  45  13.109  -2.263  -7.060
  378   1HB   LEU  45          HB2       LEU  45  15.498  -2.350  -6.094
  379   2HB   LEU  45          HB3       LEU  45  15.119  -0.865  -5.236
  380    HG   LEU  45           HG       LEU  45  13.609  -3.511  -4.964
  381   1HD1  LEU  45          HD11      LEU  45  15.602  -2.230  -3.060
  382   2HD1  LEU  45          HD12      LEU  45  14.789  -3.796  -2.859
  383   3HD1  LEU  45          HD13      LEU  45  15.975  -3.578  -4.153
  384   1HD2  LEU  45          HD21      LEU  45  13.334  -0.861  -3.500
  385   2HD2  LEU  45          HD22      LEU  45  12.060  -1.892  -4.211
  386   3HD2  LEU  45          HD23      LEU  45  12.876  -2.398  -2.745
  387    H    ALA  46           H        ALA  46  11.151  -1.412  -6.323
  388    HA   ALA  46           HA       ALA  46  11.074   1.400  -5.446
  389   1HB   ALA  46          HB1       ALA  46  10.661   1.492  -7.910
  390   2HB   ALA  46          HB2       ALA  46   9.343   0.317  -7.720
  391   3HB   ALA  46          HB3       ALA  46   9.213   1.925  -6.977
  392    H    GLU  47           H        GLU  47   9.468   1.779  -3.993
  393    HA   GLU  47           HA       GLU  47   7.351  -0.282  -3.596
  394   1HB   GLU  47          HB2       GLU  47   6.804   0.866  -1.510
  395   2HB   GLU  47          HB3       GLU  47   8.426   0.183  -1.471
  396   1HG   GLU  47          HG2       GLU  47   9.455   2.343  -1.655
  397   2HG   GLU  47          HG3       GLU  47   7.944   3.117  -2.132
  398    H    GLY  48           H        GLY  48   5.148   0.515  -3.681
  399   1HA   GLY  48          HA2       GLY  48   4.395   3.208  -4.043
  400   2HA   GLY  48          HA3       GLY  48   4.660   2.515  -5.646
  401    HA   PRO  49           HA       PRO  49   0.371   1.140  -4.490
  402   1HB   PRO  49          HB2       PRO  49  -1.101   2.777  -6.103
  403   2HB   PRO  49          HB3       PRO  49  -0.641   3.233  -4.434
  404   1HG   PRO  49          HG2       PRO  49   0.678   4.052  -7.025
  405   2HG   PRO  49          HG3       PRO  49   0.262   5.081  -5.622
  406   1HD   PRO  49          HD2       PRO  49   2.786   4.038  -6.046
  407   2HD   PRO  49          HD3       PRO  49   2.129   4.355  -4.412
  408    H    GLU  50           H        GLU  50  -0.796  -0.190  -5.999
  409    HA   GLU  50           HA       GLU  50   0.898  -1.542  -7.740
  410   1HB   GLU  50          HB2       GLU  50  -1.089  -2.475  -6.593
  411   2HB   GLU  50          HB3       GLU  50  -2.148  -1.566  -7.680
  412   1HG   GLU  50          HG2       GLU  50  -1.213  -2.828  -9.621
  413   2HG   GLU  50          HG3       GLU  50  -0.140  -3.705  -8.529
  414    H    ASN  51           H        ASN  51  -1.638   0.881  -8.616
  415    HA   ASN  51           HA       ASN  51  -1.433   0.459 -11.426
  416   1HB   ASN  51          HB2       ASN  51  -3.321   1.659 -10.388
  417   2HB   ASN  51          HB3       ASN  51  -2.242   2.963  -9.885
  418   1HD2  ASN  51          HD22      ASN  51  -2.825   4.726 -11.170
  419   2HD2  ASN  51          HD21      ASN  51  -3.022   4.657 -12.900
  420    H    ALA  52           H        ALA  52   0.358   2.693  -9.269
  421    HA   ALA  52           HA       ALA  52   1.780   4.016 -11.415
  422   1HB   ALA  52          HB1       ALA  52   1.531   5.043  -9.163
  423   2HB   ALA  52          HB2       ALA  52   2.507   3.725  -8.466
  424   3HB   ALA  52          HB3       ALA  52   3.236   4.857  -9.616
  425    H    LEU  53           H        LEU  53   2.491   1.241  -9.243
  426    HA   LEU  53           HA       LEU  53   5.120   0.766 -10.217
  427   1HB   LEU  53          HB2       LEU  53   3.010  -0.961  -8.876
  428   2HB   LEU  53          HB3       LEU  53   4.555  -1.624  -9.341
  429    HG   LEU  53           HG       LEU  53   4.228   0.729  -7.439
  430   1HD1  LEU  53          HD11      LEU  53   4.826  -0.913  -5.686
  431   2HD1  LEU  53          HD12      LEU  53   3.312  -1.338  -6.490
  432   3HD1  LEU  53          HD13      LEU  53   4.807  -2.218  -6.891
  433   1HD2  LEU  53          HD21      LEU  53   6.692  -0.941  -8.112
  434   2HD2  LEU  53          HD22      LEU  53   6.447   0.770  -8.523
  435   3HD2  LEU  53          HD23      LEU  53   6.590   0.285  -6.835
  436    H    GLN  54           H        GLN  54   1.949  -0.628 -11.323
  437    HA   GLN  54           HA       GLN  54   3.139  -2.260 -13.341
  438   1HB   GLN  54          HB2       GLN  54   0.357  -1.048 -13.045
  439   2HB   GLN  54          HB3       GLN  54   0.792  -2.122 -14.372
  440   1HG   GLN  54          HG2       GLN  54   0.935  -2.852 -11.414
  441   2HG   GLN  54          HG3       GLN  54  -0.340  -3.327 -12.525
  442   1HE2  GLN  54          HE22      GLN  54   2.420  -4.476 -11.050
  443   2HE2  GLN  54          HE21      GLN  54   2.885  -5.686 -12.214
  444    H    SER  55           H        SER  55   1.845   1.106 -13.514
  445    HA   SER  55           HA       SER  55   2.376   1.526 -16.272
  446   1HB   SER  55          HB2       SER  55   2.607   3.547 -14.000
  447   2HB   SER  55          HB3       SER  55   2.358   3.896 -15.717
  448    HG   SER  55           HG       SER  55   0.576   2.626 -13.892
  449    H    PHE  56           H        PHE  56   4.498   1.832 -13.391
  450    HA   PHE  56           HA       PHE  56   6.721   2.815 -14.852
  451   1HB   PHE  56          HB2       PHE  56   6.333   3.207 -12.491
  452   2HB   PHE  56          HB3       PHE  56   6.538   1.508 -12.127
  453    HD1  PHE  56           HD1      PHE  56   8.476   4.104 -14.100
  454    HD2  PHE  56           HD2      PHE  56   8.514   1.211 -10.900
  455    HE1  PHE  56           HE1      PHE  56  10.873   4.592 -13.655
  456    HE2  PHE  56           HE2      PHE  56  10.886   1.724 -10.452
  457    HZ   PHE  56           HZ       PHE  56  12.055   3.436 -11.802
  458    H    VAL  57           H        VAL  57   5.637  -0.601 -14.184
  459    HA   VAL  57           HA       VAL  57   8.030  -1.744 -15.307
  460    HB   VAL  57           HB       VAL  57   5.224  -2.913 -15.583
  461   1HG1  VAL  57          HG11      VAL  57   8.007  -4.171 -15.772
  462   2HG1  VAL  57          HG12      VAL  57   6.468  -5.062 -15.825
  463   3HG1  VAL  57          HG13      VAL  57   6.877  -3.942 -17.123
  464   1HG2  VAL  57          HG21      VAL  57   5.905  -4.366 -13.642
  465   2HG2  VAL  57          HG22      VAL  57   7.292  -3.281 -13.387
  466   3HG2  VAL  57          HG23      VAL  57   5.624  -2.680 -13.235
  467    H    GLU  58           H        GLU  58   4.909  -0.619 -16.790
  468    HA   GLU  58           HA       GLU  58   5.585  -1.433 -19.399
  469   1HB   GLU  58          HB2       GLU  58   3.757   0.806 -18.451
  470   2HB   GLU  58          HB3       GLU  58   3.940   0.343 -20.146
  471   1HG   GLU  58          HG2       GLU  58   3.267  -1.978 -19.598
  472   2HG   GLU  58          HG3       GLU  58   3.025  -1.519 -17.914
  473    H    ALA  59           H        ALA  59   6.426   1.590 -17.692
  474    HA   ALA  59           HA       ALA  59   7.841   2.756 -19.875
  475   1HB   ALA  59          HB1       ALA  59   8.878   4.166 -18.148
  476   2HB   ALA  59          HB2       ALA  59   7.125   4.048 -17.911
  477   3HB   ALA  59          HB3       ALA  59   8.232   3.121 -16.871
  478    H    VAL  60           H        VAL  60   9.051   0.868 -17.029
  479    HA   VAL  60           HA       VAL  60  11.780   1.008 -17.655
  480    HB   VAL  60           HB       VAL  60  10.034  -0.822 -15.988
  481   1HG1  VAL  60          HG11      VAL  60  11.814  -2.342 -16.595
  482   2HG1  VAL  60          HG12      VAL  60  13.040  -1.116 -16.211
  483   3HG1  VAL  60          HG13      VAL  60  12.021  -1.810 -14.928
  484   1HG2  VAL  60          HG21      VAL  60  11.121   0.319 -14.127
  485   2HG2  VAL  60          HG22      VAL  60  12.262   1.125 -15.228
  486   3HG2  VAL  60          HG23      VAL  60  10.546   1.547 -15.257
  487    H    LYS  61           H        LYS  61   9.410  -1.555 -18.548
  488    HA   LYS  61           HA       LYS  61  11.369  -3.281 -19.647
  489   1HB   LYS  61          HB2       LYS  61   9.511  -4.591 -20.450
  490   2HB   LYS  61          HB3       LYS  61   9.154  -3.969 -18.849
  491   1HG   LYS  61          HG2       LYS  61   7.167  -3.344 -19.691
  492   2HG   LYS  61          HG3       LYS  61   8.037  -1.986 -20.409
  493   1HD   LYS  61          HD2       LYS  61   8.409  -3.470 -22.467
  494   2HD   LYS  61          HD3       LYS  61   7.364  -4.655 -21.667
  495   1HE   LYS  61          HE2       LYS  61   5.992  -3.455 -23.218
  496   2HE   LYS  61          HE3       LYS  61   5.517  -2.964 -21.594
  497   1HZ   LYS  61          HZ1       LYS  61   7.255  -1.400 -23.427
  498   2HZ   LYS  61          HZ2       LYS  61   5.695  -1.087 -23.112
  499   3HZ   LYS  61          HZ3       LYS  61   6.798  -0.897 -21.924
  500    H    ASN  62           H        ASN  62  10.126  -0.351 -21.013
  501    HA   ASN  62           HA       ASN  62  10.576  -1.030 -23.808
  502   1HB   ASN  62          HB2       ASN  62   9.161   0.907 -23.063
  503   2HB   ASN  62          HB3       ASN  62  10.604   1.683 -22.407
  504   1HD2  ASN  62          HD22      ASN  62  11.947   2.837 -23.766
  505   2HD2  ASN  62          HD21      ASN  62  11.662   3.000 -25.496
  506    H    GLY  63           H        GLY  63  12.629  -0.115 -21.074
  507   1HA   GLY  63          HA2       GLY  63  14.881   0.463 -20.965
  508   2HA   GLY  63          HA3       GLY  63  15.054   0.216 -22.700
  509    H    SER  64           H        SER  64  16.206   2.492 -22.243
  510    HA   SER  64           HA       SER  64  14.426   4.791 -22.494
  511   1HB   SER  64          HB2       SER  64  17.263   4.385 -23.541
  512   2HB   SER  64          HB3       SER  64  16.411   5.920 -23.319
  513    HG   SER  64           HG       SER  64  17.875   5.466 -21.629
  514    HA   PRO  65           HA       PRO  65  13.337   4.127 -26.885
  515   1HB   PRO  65          HB2       PRO  65  14.542   6.897 -27.157
  516   2HB   PRO  65          HB3       PRO  65  13.082   6.230 -27.954
  517   1HG   PRO  65          HG2       PRO  65  12.832   7.789 -25.751
  518   2HG   PRO  65          HG3       PRO  65  11.841   6.304 -25.913
  519   1HD   PRO  65          HD2       PRO  65  14.290   6.748 -24.218
  520   2HD   PRO  65          HD3       PRO  65  12.831   5.749 -23.894
  521    H    PHE  66           H        PHE  66  16.581   5.393 -26.017
  522    HA   PHE  66           HA       PHE  66  17.856   4.510 -28.461
  523   1HB   PHE  66          HB2       PHE  66  19.101   5.244 -25.786
  524   2HB   PHE  66          HB3       PHE  66  19.905   5.211 -27.348
  525    HD1  PHE  66           HD2      PHE  66  18.826   6.783 -29.226
  526    HD2  PHE  66           HD1      PHE  66  18.311   7.320 -24.971
  527    HE1  PHE  66           HE2      PHE  66  18.220   9.161 -29.594
  528    HE2  PHE  66           HE1      PHE  66  17.702   9.693 -25.349
  529    HZ   PHE  66           HZ       PHE  66  17.654  10.620 -27.659
  530    H    SER  67           H        SER  67  16.923   2.792 -25.564
  531    HA   SER  67           HA       SER  67  19.228   1.084 -25.372
  532   1HB   SER  67          HB2       SER  67  16.407   0.829 -24.253
  533   2HB   SER  67          HB3       SER  67  17.797  -0.096 -23.702
  534    HG   SER  67           HG       SER  67  18.772   1.849 -23.044
  535    H    LYS  68           H        LYS  68  18.954  -1.281 -25.300
  536    HA   LYS  68           HA       LYS  68  16.773  -2.439 -26.895
  537   1HB   LYS  68          HB2       LYS  68  18.688  -2.369 -28.497
  538   2HB   LYS  68          HB3       LYS  68  19.687  -3.252 -27.335
  539   1HG   LYS  68          HG2       LYS  68  17.941  -5.124 -27.412
  540   2HG   LYS  68          HG3       LYS  68  17.149  -4.225 -28.718
  541   1HD   LYS  68          HD2       LYS  68  19.311  -4.370 -30.031
  542   2HD   LYS  68          HD3       LYS  68  20.003  -5.305 -28.698
  543   1HE   LYS  68          HE2       LYS  68  19.339  -6.867 -30.374
  544   2HE   LYS  68          HE3       LYS  68  18.236  -7.044 -29.008
  545   1HZ   LYS  68          HZ1       LYS  68  17.074  -7.049 -31.128
  546   2HZ   LYS  68          HZ2       LYS  68  16.594  -5.756 -30.265
  547   3HZ   LYS  68          HZ3       LYS  68  17.635  -5.574 -31.516
  548    H    VAL  69           H        VAL  69  15.842  -3.145 -24.968
  549    HA   VAL  69           HA       VAL  69  17.348  -4.499 -22.875
  550    HB   VAL  69           HB       VAL  69  14.373  -4.538 -23.586
  551   1HG1  VAL  69          HG11      VAL  69  15.805  -5.466 -21.058
  552   2HG1  VAL  69          HG12      VAL  69  14.042  -5.307 -21.238
  553   3HG1  VAL  69          HG13      VAL  69  14.921  -6.491 -22.204
  554   1HG2  VAL  69          HG21      VAL  69  15.892  -2.873 -21.528
  555   2HG2  VAL  69          HG22      VAL  69  15.078  -2.266 -22.987
  556   3HG2  VAL  69          HG23      VAL  69  14.123  -2.959 -21.680
  557    H    THR  70           H        THR  70  18.014  -6.635 -22.952
  558    HA   THR  70           HA       THR  70  16.976  -8.361 -25.158
  559    HB   THR  70           HB       THR  70  19.182  -9.501 -25.003
  560    HG1  THR  70           HG1      THR  70  20.007  -8.984 -23.062
  561   1HG2  THR  70          HG21      THR  70  19.416  -6.503 -25.539
  562   2HG2  THR  70          HG22      THR  70  20.463  -7.786 -26.178
  563   3HG2  THR  70          HG23      THR  70  18.769  -7.695 -26.687
  564    H    ASP  71           H        ASP  71  17.263  -7.989 -21.677
  565    HA   ASP  71           HA       ASP  71  15.426 -10.204 -21.373
  566   1HB   ASP  71          HB2       ASP  71  17.530 -11.463 -21.165
  567   2HB   ASP  71          HB3       ASP  71  18.146 -10.304 -19.993
  568    H    ILE  72           H        ILE  72  14.286 -10.008 -19.383
  569    HA   ILE  72           HA       ILE  72  15.022  -7.935 -17.487
  570    HB   ILE  72           HB       ILE  72  13.689  -6.627 -18.955
  571   1HG1  ILE  72          HG12      ILE  72  11.832  -7.424 -16.677
  572   2HG1  ILE  72          HG13      ILE  72  13.290  -6.456 -16.470
  573   1HG2  ILE  72          HG21      ILE  72  11.406  -7.162 -19.692
  574   2HG2  ILE  72          HG22      ILE  72  12.525  -8.388 -20.250
  575   3HG2  ILE  72          HG23      ILE  72  11.477  -8.724 -18.853
  576   1HD1  ILE  72          HD11      ILE  72  11.377  -4.988 -16.574
  577   2HD1  ILE  72          HD12      ILE  72  12.376  -4.737 -18.018
  578   3HD1  ILE  72          HD13      ILE  72  10.860  -5.668 -18.118
  579    H    SER  73           H        SER  73  14.292  -8.469 -15.418
  580    HA   SER  73           HA       SER  73  12.745 -10.983 -15.025
  581   1HB   SER  73          HB2       SER  73  15.455 -10.282 -13.787
  582   2HB   SER  73          HB3       SER  73  14.426 -11.637 -13.299
  583    HG   SER  73           HG       SER  73  15.667 -11.241 -15.832
  584    H    VAL  74           H        VAL  74  11.682 -11.018 -12.928
  585    HA   VAL  74           HA       VAL  74  11.537  -8.404 -11.519
  586    HB   VAL  74           HB       VAL  74   9.193  -9.982 -12.679
  587   1HG1  VAL  74          HG11      VAL  74   9.232  -7.327 -11.177
  588   2HG1  VAL  74          HG12      VAL  74   7.825  -7.999 -12.026
  589   3HG1  VAL  74          HG13      VAL  74   8.503  -8.850 -10.644
  590   1HG2  VAL  74          HG21      VAL  74   8.821  -8.002 -14.154
  591   2HG2  VAL  74          HG22      VAL  74  10.383  -7.345 -13.623
  592   3HG2  VAL  74          HG23      VAL  74  10.303  -8.874 -14.525
  593    H    THR  75           H        THR  75  10.978  -8.572  -9.365
  594    HA   THR  75           HA       THR  75   9.894 -11.116  -8.301
  595    HB   THR  75           HB       THR  75  11.806  -9.341  -6.726
  596    HG1  THR  75           HG1      THR  75  12.946 -10.218  -8.493
  597   1HG2  THR  75          HG21      THR  75  10.921 -12.237  -6.354
  598   2HG2  THR  75          HG22      THR  75  12.068 -11.354  -5.318
  599   3HG2  THR  75          HG23      THR  75  10.380 -10.835  -5.403
  600    H    GLU  76           H        GLU  76   8.084 -10.624  -6.951
  601    HA   GLU  76           HA       GLU  76   7.458  -7.729  -6.539
  602   1HB   GLU  76          HB2       GLU  76   5.546 -10.005  -7.201
  603   2HB   GLU  76          HB3       GLU  76   5.085  -8.352  -6.775
  604   1HG   GLU  76          HG2       GLU  76   6.323  -7.513  -8.782
  605   2HG   GLU  76          HG3       GLU  76   6.689  -9.181  -9.229
  606    H    SER  77           H        SER  77   6.560  -7.220  -4.532
  607    HA   SER  77           HA       SER  77   6.722  -9.283  -2.400
  608   1HB   SER  77          HB2       SER  77   8.387  -6.735  -2.665
  609   2HB   SER  77          HB3       SER  77   8.370  -7.804  -1.250
  610    HG   SER  77           HG       SER  77  10.131  -8.233  -2.632
  611    H    ARG  78           H        ARG  78   5.945  -8.527  -0.363
  612    HA   ARG  78           HA       ARG  78   4.212  -6.103  -0.417
  613   1HB   ARG  78          HB2       ARG  78   2.929  -8.251  -0.633
  614   2HB   ARG  78          HB3       ARG  78   3.559  -8.746   0.943
  615   1HG   ARG  78          HG2       ARG  78   2.428  -6.767   1.993
  616   2HG   ARG  78          HG3       ARG  78   1.904  -6.231   0.400
  617   1HD   ARG  78          HD2       ARG  78   0.054  -7.321   1.487
  618   2HD   ARG  78          HD3       ARG  78   0.591  -8.331   0.134
  619    HE   ARG  78           HE       ARG  78   1.875  -9.074   2.614
  620   1HH1  ARG  78          HH21      ARG  78  -1.198  -9.412   0.874
  621   2HH1  ARG  78          HH22      ARG  78  -1.640 -10.889   1.646
  622   1HH2  ARG  78          HH11      ARG  78   1.297 -11.050   3.639
  623   2HH2  ARG  78          HH12      ARG  78  -0.187 -11.835   3.258
  624    H    SER  79           H        SER  79   6.650  -5.671   0.173
  625    HA   SER  79           HA       SER  79   6.856  -5.381   3.099
  626   1HB   SER  79          HB2       SER  79   9.112  -6.389   1.300
  627   2HB   SER  79          HB3       SER  79   9.202  -6.080   3.042
  628    HG   SER  79           HG       SER  79   8.921  -8.303   2.562
  629    H    LEU  80           H        LEU  80   7.485  -3.289   3.494
  630    HA   LEU  80           HA       LEU  80   7.714  -1.518   1.145
  631   1HB   LEU  80          HB2       LEU  80   7.140  -1.146   4.100
  632   2HB   LEU  80          HB3       LEU  80   7.600   0.223   3.118
  633    HG   LEU  80           HG       LEU  80   5.164  -0.012   3.412
  634   1HD1  LEU  80          HD11      LEU  80   4.547   0.552   1.170
  635   2HD1  LEU  80          HD12      LEU  80   6.155   1.194   1.478
  636   3HD1  LEU  80          HD13      LEU  80   5.963  -0.273   0.488
  637   1HD2  LEU  80          HD21      LEU  80   5.260  -2.411   1.524
  638   2HD2  LEU  80          HD22      LEU  80   4.950  -2.502   3.277
  639   3HD2  LEU  80          HD23      LEU  80   3.830  -1.635   2.217
  640    H    GLU  81           H        GLU  81   9.254   0.402   1.400
  641    HA   GLU  81           HA       GLU  81  11.948  -0.691   2.027
  642   1HB   GLU  81          HB2       GLU  81  11.013  -0.332  -0.426
  643   2HB   GLU  81          HB3       GLU  81  11.278   1.364  -0.114
  644   1HG   GLU  81          HG2       GLU  81  13.102   0.238  -1.366
  645   2HG   GLU  81          HG3       GLU  81  13.635   1.051   0.097
  646    H    GLY  82           H        GLY  82   9.700   1.884   2.595
  647   1HA   GLY  82          HA2       GLY  82   9.747   3.475   4.245
  648   2HA   GLY  82          HA3       GLY  82  11.369   2.940   4.717
  649    H    HIS  83           H        HIS  83  11.350   3.586   1.398
  650    HA   HIS  83           HA       HIS  83  12.930   6.017   1.676
  651   1HB   HIS  83          HB2       HIS  83  11.913   4.368  -0.685
  652   2HB   HIS  83          HB3       HIS  83  12.808   5.870  -0.870
  653    HD1  HIS  83           HD1      HIS  83  13.894   3.139   1.689
  654    HD2  HIS  83           HD2      HIS  83  14.937   4.900  -1.996
  655    HE1  HIS  83           HE1      HIS  83  16.253   2.364   1.163
  656    H    HIS  84           H        HIS  84  12.302   8.069   0.860
  657    HA   HIS  84           HA       HIS  84   9.422   8.472   0.204
  658   1HB   HIS  84          HB2       HIS  84  10.141   9.094   2.583
  659   2HB   HIS  84          HB3       HIS  84  11.129  10.363   1.866
  660    HD1  HIS  84           HD1      HIS  84   9.811  12.632   1.490
  661    HD2  HIS  84           HD2      HIS  84   7.377   9.228   1.971
  662    HE1  HIS  84           HE1      HIS  84   7.415  13.479   1.601
  663    H    ARG  85           H        ARG  85  12.108   8.215  -1.344
  664    HA   ARG  85           HA       ARG  85  11.551  10.221  -3.311
  665   1HB   ARG  85          HB2       ARG  85  13.497  11.454  -3.309
  666   2HB   ARG  85          HB3       ARG  85  13.192  11.340  -1.591
  667   1HG   ARG  85          HG2       ARG  85  15.216   9.755  -3.214
  668   2HG   ARG  85          HG3       ARG  85  15.572  11.085  -2.139
  669   1HD   ARG  85          HD2       ARG  85  15.340   9.812  -0.212
  670   2HD   ARG  85          HD3       ARG  85  14.236   8.649  -0.972
  671    HE   ARG  85           HE       ARG  85  16.674   8.469  -2.342
  672   1HH1  ARG  85          HH11      ARG  85  15.514   7.668   0.930
  673   2HH1  ARG  85          HH12      ARG  85  16.326   6.145   0.958
  674   1HH2  ARG  85          HH21      ARG  85  17.797   6.620  -2.251
  675   2HH2  ARG  85          HH22      ARG  85  17.653   5.499  -0.920
  676    H    PHE  86           H        PHE  86  13.072   9.731  -5.256
  677    HA   PHE  86           HA       PHE  86  13.778   6.845  -5.291
  678   1HB   PHE  86          HB2       PHE  86  12.033   7.934  -6.968
  679   2HB   PHE  86          HB3       PHE  86  13.472   8.524  -7.774
  680    HD1  PHE  86           HD2      PHE  86  11.874   5.405  -6.420
  681    HD2  PHE  86           HD1      PHE  86  14.473   7.094  -9.362
  682    HE1  PHE  86           HE2      PHE  86  12.190   3.152  -7.412
  683    HE2  PHE  86           HE1      PHE  86  14.807   4.844 -10.377
  684    HZ   PHE  86           HZ       PHE  86  13.669   2.865  -9.382
  685    H    SER  87           H        SER  87  15.910   6.323  -6.071
  686    HA   SER  87           HA       SER  87  17.813   8.628  -6.323
  687   1HB   SER  87          HB2       SER  87  18.081   6.050  -4.723
  688   2HB   SER  87          HB3       SER  87  19.397   7.204  -4.993
  689    HG   SER  87           HG       SER  87  18.278   8.757  -3.885
  690    H    ILE  88           H        ILE  88  19.711   8.276  -7.516
  691    HA   ILE  88           HA       ILE  88  19.870   5.797  -9.159
  692    HB   ILE  88           HB       ILE  88  21.520   8.341  -9.520
  693   1HG1  ILE  88          HG12      ILE  88  19.139   7.464 -11.195
  694   2HG1  ILE  88          HG13      ILE  88  19.177   8.853 -10.084
  695   1HG2  ILE  88          HG21      ILE  88  21.133   5.844 -11.236
  696   2HG2  ILE  88          HG22      ILE  88  22.093   7.253 -11.726
  697   3HG2  ILE  88          HG23      ILE  88  22.611   6.301 -10.359
  698   1HD1  ILE  88          HD11      ILE  88  19.382   9.715 -12.275
  699   2HD1  ILE  88          HD12      ILE  88  20.974   9.871 -11.511
  700   3HD1  ILE  88          HD13      ILE  88  20.663   8.586 -12.709
  701    H    VAL  89           H        VAL  89  21.735   4.519  -8.716
  702    HA   VAL  89           HA       VAL  89  23.778   5.747  -6.930
  703    HB   VAL  89           HB       VAL  89  23.469   2.755  -7.037
  704   1HG1  VAL  89          HG11      VAL  89  24.610   2.883  -4.876
  705   2HG1  VAL  89          HG12      VAL  89  25.527   3.756  -6.108
  706   3HG1  VAL  89          HG13      VAL  89  24.555   4.658  -4.924
  707   1HG2  VAL  89          HG21      VAL  89  21.237   3.450  -6.249
  708   2HG2  VAL  89          HG22      VAL  89  22.179   2.802  -4.906
  709   3HG2  VAL  89          HG23      VAL  89  21.981   4.560  -5.074
  710    H    TYR  90           H        TYR  90  25.738   5.855  -7.883
  711    HA   TYR  90           HA       TYR  90  25.683   5.377 -10.764
  712   1HB   TYR  90          HB2       TYR  90  27.586   7.006  -9.043
  713   2HB   TYR  90          HB3       TYR  90  27.473   7.048 -10.798
  714    HD1  TYR  90           HD1      TYR  90  25.253   7.792 -11.885
  715    HD2  TYR  90           HD2      TYR  90  26.191   8.447  -7.721
  716    HE1  TYR  90           HE1      TYR  90  23.516   9.553 -11.771
  717    HE2  TYR  90           HE2      TYR  90  24.453  10.199  -7.598
  718    HH   TYR  90           HH       TYR  90  22.821  11.392  -8.759
  719    H    SER  91           H        SER  91  26.435   3.216  -8.657
  720    HA   SER  91           HA       SER  91  29.072   2.461  -8.720
  721   1HB   SER  91          HB2       SER  91  26.736   0.544  -8.986
  722   2HB   SER  91          HB3       SER  91  28.269   0.288  -8.141
  723    HG   SER  91           HG       SER  91  26.620   0.807  -6.651
  Start of MODEL   19
    1   1H    MET   1          H1        MET   1  -0.433   0.683  -0.477
    2   2H    MET   1          H2        MET   1  -0.621  -0.795  -1.156
    3   3H    MET   1          H3        MET   1   0.125  -0.664   0.287
    4    HA   MET   1           HA       MET   1   1.145   0.373  -2.273
    5   1HB   MET   1          HB2       MET   1   2.516   0.328   0.459
    6   2HB   MET   1          HB3       MET   1   3.254   0.813  -1.067
    7   1HG   MET   1          HG2       MET   1   1.017   2.246   0.404
    8   2HG   MET   1          HG3       MET   1   2.680   2.772   0.189
    9   1HE   MET   1          HE1       MET   1   0.742   5.446  -1.884
   10   2HE   MET   1          HE2       MET   1   0.244   4.689  -0.354
   11   3HE   MET   1          HE3       MET   1   1.943   5.155  -0.606
   12    H    LEU   2           H        LEU   2   2.923  -0.837  -3.182
   13    HA   LEU   2           HA       LEU   2   3.616  -3.432  -1.947
   14   1HB   LEU   2          HB2       LEU   2   2.579  -3.024  -4.789
   15   2HB   LEU   2          HB3       LEU   2   3.582  -4.399  -4.353
   16    HG   LEU   2           HG       LEU   2   0.850  -3.811  -3.157
   17   1HD1  LEU   2          HD11      LEU   2   1.775  -5.921  -5.155
   18   2HD1  LEU   2          HD12      LEU   2   0.140  -5.764  -4.475
   19   3HD1  LEU   2          HD13      LEU   2   0.781  -4.495  -5.525
   20   1HD2  LEU   2          HD21      LEU   2   1.059  -6.150  -2.251
   21   2HD2  LEU   2          HD22      LEU   2   2.763  -6.164  -2.754
   22   3HD2  LEU   2          HD23      LEU   2   2.194  -5.026  -1.513
   23    H    GLN   3           H        GLN   3   5.519  -4.344  -3.349
   24    HA   GLN   3           HA       GLN   3   7.343  -2.185  -4.231
   25   1HB   GLN   3          HB2       GLN   3   7.707  -2.682  -1.810
   26   2HB   GLN   3          HB3       GLN   3   7.885  -4.391  -2.194
   27   1HG   GLN   3          HG2       GLN   3   9.939  -3.835  -3.543
   28   2HG   GLN   3          HG3       GLN   3   9.788  -2.154  -3.020
   29   1HE2  GLN   3          HE22      GLN   3   9.846  -1.761  -0.556
   30   2HE2  GLN   3          HE21      GLN   3  10.636  -2.972   0.450
   31    H    TYR   4           H        TYR   4   8.890  -2.958  -5.771
   32    HA   TYR   4           HA       TYR   4   8.994  -5.831  -6.263
   33   1HB   TYR   4          HB2       TYR   4   8.848  -5.688  -8.662
   34   2HB   TYR   4          HB3       TYR   4   7.365  -5.207  -7.905
   35    HD1  TYR   4           HD2      TYR   4  10.492  -3.183  -8.888
   36    HD2  TYR   4           HD1      TYR   4   6.258  -3.903  -9.416
   37    HE1  TYR   4           HE2      TYR   4  10.443  -1.520 -10.668
   38    HE2  TYR   4           HE1      TYR   4   6.227  -2.233 -11.231
   39    HH   TYR   4           HH       TYR   4   9.192  -0.622 -12.419
   40    H    ARG   5           H        ARG   5  10.802  -6.366  -7.718
   41    HA   ARG   5           HA       ARG   5  12.960  -4.357  -7.856
   42   1HB   ARG   5          HB2       ARG   5  13.437  -5.903  -5.913
   43   2HB   ARG   5          HB3       ARG   5  13.302  -7.259  -7.026
   44   1HG   ARG   5          HG2       ARG   5  15.248  -6.269  -8.350
   45   2HG   ARG   5          HG3       ARG   5  15.392  -5.040  -7.081
   46   1HD   ARG   5          HD2       ARG   5  16.990  -6.868  -6.724
   47   2HD   ARG   5          HD3       ARG   5  15.801  -6.813  -5.408
   48    HE   ARG   5           HE       ARG   5  14.831  -8.596  -7.390
   49   1HH1  ARG   5          HH21      ARG   5  17.395  -8.508  -4.931
   50   2HH1  ARG   5          HH22      ARG   5  17.500 -10.222  -4.808
   51   1HH2  ARG   5          HH11      ARG   5  14.829 -10.779  -7.108
   52   2HH2  ARG   5          HH12      ARG   5  16.014 -11.576  -6.113
   53    H    ILE   6           H        ILE   6  13.875  -4.451  -9.947
   54    HA   ILE   6           HA       ILE   6  13.065  -6.686 -11.707
   55    HB   ILE   6           HB       ILE   6  12.706  -3.720 -12.319
   56   1HG1  ILE   6          HG12      ILE   6  10.765  -6.056 -12.060
   57   2HG1  ILE   6          HG13      ILE   6  10.875  -4.659 -11.004
   58   1HG2  ILE   6          HG21      ILE   6  13.631  -4.943 -14.294
   59   2HG2  ILE   6          HG22      ILE   6  12.274  -6.084 -14.200
   60   3HG2  ILE   6          HG23      ILE   6  11.995  -4.371 -14.564
   61   1HD1  ILE   6          HD11      ILE   6  10.164  -3.205 -12.940
   62   2HD1  ILE   6          HD12      ILE   6   9.825  -4.703 -13.846
   63   3HD1  ILE   6          HD13      ILE   6   8.954  -4.365 -12.343
   64    H    ILE   7           H        ILE   7  14.679  -7.282 -13.077
   65    HA   ILE   7           HA       ILE   7  17.253  -5.786 -12.936
   66    HB   ILE   7           HB       ILE   7  16.938  -8.772 -13.400
   67   1HG1  ILE   7          HG12      ILE   7  16.242  -8.458 -11.107
   68   2HG1  ILE   7          HG13      ILE   7  17.825  -9.206 -11.160
   69   1HG2  ILE   7          HG21      ILE   7  18.952  -7.878 -14.380
   70   2HG2  ILE   7          HG22      ILE   7  19.387  -7.044 -12.877
   71   3HG2  ILE   7          HG23      ILE   7  19.381  -8.824 -12.954
   72   1HD1  ILE   7          HD11      ILE   7  18.893  -7.039 -10.588
   73   2HD1  ILE   7          HD12      ILE   7  17.295  -6.267 -10.556
   74   3HD1  ILE   7          HD13      ILE   7  17.686  -7.525  -9.380
   75    H    VAL   8           H        VAL   8  18.127  -5.343 -14.994
   76    HA   VAL   8           HA       VAL   8  16.568  -6.270 -17.357
   77    HB   VAL   8           HB       VAL   8  17.449  -3.384 -16.994
   78   1HG1  VAL   8          HG11      VAL   8  15.804  -2.974 -18.780
   79   2HG1  VAL   8          HG12      VAL   8  16.947  -4.222 -19.294
   80   3HG1  VAL   8          HG13      VAL   8  15.323  -4.685 -18.760
   81   1HG2  VAL   8          HG21      VAL   8  15.814  -3.710 -15.193
   82   2HG2  VAL   8          HG22      VAL   8  15.091  -2.777 -16.501
   83   3HG2  VAL   8          HG23      VAL   8  14.692  -4.497 -16.331
   84    H    ASP   9           H        ASP   9  17.822  -6.623 -19.158
   85    HA   ASP   9           HA       ASP   9  20.733  -6.054 -19.063
   86   1HB   ASP   9          HB2       ASP   9  20.388  -8.268 -18.066
   87   2HB   ASP   9          HB3       ASP   9  19.388  -8.752 -19.437
   88    H    GLY  10           H        GLY  10  21.715  -6.248 -21.156
   89   1HA   GLY  10          HA2       GLY  10  21.229  -6.717 -23.611
   90   2HA   GLY  10          HA3       GLY  10  19.861  -5.612 -23.400
   91    H    ARG  11           H        ARG  11  20.756  -4.136 -24.887
   92    HA   ARG  11           HA       ARG  11  23.208  -2.622 -24.193
   93   1HB   ARG  11          HB2       ARG  11  22.471  -2.900 -26.587
   94   2HB   ARG  11          HB3       ARG  11  20.977  -2.064 -26.192
   95   1HG   ARG  11          HG2       ARG  11  22.806  -0.212 -25.308
   96   2HG   ARG  11          HG3       ARG  11  23.738  -0.980 -26.590
   97   1HD   ARG  11          HD2       ARG  11  20.986   0.301 -26.814
   98   2HD   ARG  11          HD3       ARG  11  22.500   0.977 -27.430
   99    HE   ARG  11           HE       ARG  11  22.376  -1.413 -28.724
  100   1HH1  ARG  11          HH21      ARG  11  20.088   1.311 -28.436
  101   2HH1  ARG  11          HH22      ARG  11  19.302   0.971 -29.938
  102   1HH2  ARG  11          HH11      ARG  11  21.325  -1.837 -30.726
  103   2HH2  ARG  11          HH12      ARG  11  20.037  -0.835 -31.273
  104    H    VAL  12           H        VAL  12  22.433  -2.377 -21.920
  105    HA   VAL  12           HA       VAL  12  20.325  -0.273 -21.643
  106    HB   VAL  12           HB       VAL  12  19.498  -1.417 -19.666
  107   1HG1  VAL  12          HG11      VAL  12  19.540  -3.299 -22.064
  108   2HG1  VAL  12          HG12      VAL  12  18.369  -3.279 -20.746
  109   3HG1  VAL  12          HG13      VAL  12  18.465  -1.901 -21.853
  110   1HG2  VAL  12          HG21      VAL  12  20.156  -3.660 -19.042
  111   2HG2  VAL  12          HG22      VAL  12  21.372  -3.730 -20.332
  112   3HG2  VAL  12          HG23      VAL  12  21.573  -2.613 -18.971
  113    H    GLN  13           H        GLN  13  23.514  -0.503 -21.450
  114    HA   GLN  13           HA       GLN  13  23.592   1.592 -19.398
  115   1HB   GLN  13          HB2       GLN  13  25.683  -0.634 -19.554
  116   2HB   GLN  13          HB3       GLN  13  25.791   0.847 -18.599
  117   1HG   GLN  13          HG2       GLN  13  23.514   0.033 -17.545
  118   2HG   GLN  13          HG3       GLN  13  23.976  -1.545 -18.182
  119   1HE2  GLN  13          HE22      GLN  13  25.174  -2.816 -16.646
  120   2HE2  GLN  13          HE21      GLN  13  25.978  -2.096 -15.275
  121    H    GLY  14           H        GLY  14  25.324   3.138 -19.892
  122   1HA   GLY  14          HA2       GLY  14  26.473   4.462 -21.378
  123   2HA   GLY  14          HA3       GLY  14  26.621   3.093 -22.491
  124    H    VAL  15           H        VAL  15  23.411   3.872 -21.376
  125    HA   VAL  15           HA       VAL  15  22.700   5.348 -23.853
  126    HB   VAL  15           HB       VAL  15  20.718   3.757 -24.051
  127   1HG1  VAL  15          HG11      VAL  15  21.899   2.119 -25.328
  128   2HG1  VAL  15          HG12      VAL  15  22.673   3.688 -25.573
  129   3HG1  VAL  15          HG13      VAL  15  23.433   2.479 -24.510
  130   1HG2  VAL  15          HG21      VAL  15  22.394   1.903 -22.324
  131   2HG2  VAL  15          HG22      VAL  15  20.883   2.689 -21.803
  132   3HG2  VAL  15          HG23      VAL  15  20.878   1.531 -23.135
  133    H    GLY  16           H        GLY  16  22.971   6.008 -20.898
  134   1HA   GLY  16          HA2       GLY  16  21.970   7.436 -19.456
  135   2HA   GLY  16          HA3       GLY  16  20.832   7.828 -20.754
  136    H    PHE  17           H        PHE  17  20.758   4.476 -19.861
  137    HA   PHE  17           HA       PHE  17  18.034   4.684 -19.472
  138   1HB   PHE  17          HB2       PHE  17  19.157   2.640 -20.225
  139   2HB   PHE  17          HB3       PHE  17  19.867   2.423 -18.625
  140    HD1  PHE  17           HD1      PHE  17  16.314   3.387 -19.481
  141    HD2  PHE  17           HD2      PHE  17  18.950   0.338 -17.944
  142    HE1  PHE  17           HE1      PHE  17  14.367   2.076 -18.781
  143    HE2  PHE  17           HE2      PHE  17  16.977  -1.008 -17.274
  144    HZ   PHE  17           HZ       PHE  17  14.678  -0.156 -17.701
  145    H    ARG  18           H        ARG  18  20.528   4.559 -16.854
  146    HA   ARG  18           HA       ARG  18  18.573   4.255 -14.784
  147   1HB   ARG  18          HB2       ARG  18  21.351   5.518 -14.644
  148   2HB   ARG  18          HB3       ARG  18  20.299   5.207 -13.255
  149   1HG   ARG  18          HG2       ARG  18  20.185   2.762 -14.070
  150   2HG   ARG  18          HG3       ARG  18  21.538   3.147 -15.122
  151   1HD   ARG  18          HD2       ARG  18  21.570   3.618 -12.101
  152   2HD   ARG  18          HD3       ARG  18  22.072   2.103 -12.831
  153    HE   ARG  18           HE       ARG  18  23.515   4.642 -12.823
  154   1HH1  ARG  18          HH21      ARG  18  23.243   1.480 -14.398
  155   2HH1  ARG  18          HH22      ARG  18  24.873   1.444 -14.974
  156   1HH2  ARG  18          HH11      ARG  18  25.700   4.619 -13.598
  157   2HH2  ARG  18          HH12      ARG  18  26.289   3.277 -14.500
  158    H    TYR  19           H        TYR  19  19.609   7.184 -16.530
  159    HA   TYR  19           HA       TYR  19  18.210   8.969 -14.714
  160   1HB   TYR  19          HB2       TYR  19  19.072   9.390 -17.603
  161   2HB   TYR  19          HB3       TYR  19  18.471  10.626 -16.515
  162    HD1  TYR  19           HD1      TYR  19  19.775  11.155 -14.368
  163    HD2  TYR  19           HD2      TYR  19  21.402   8.794 -17.592
  164    HE1  TYR  19           HE1      TYR  19  22.060  11.540 -13.492
  165    HE2  TYR  19           HE2      TYR  19  23.689   9.168 -16.727
  166    HH   TYR  19           HH       TYR  19  24.990  10.177 -15.075
  167    H    PHE  20           H        PHE  20  17.385   7.238 -17.780
  168    HA   PHE  20           HA       PHE  20  14.810   8.357 -18.120
  169   1HB   PHE  20          HB2       PHE  20  16.026   6.881 -19.763
  170   2HB   PHE  20          HB3       PHE  20  15.645   5.490 -18.750
  171    HD1  PHE  20           HD1      PHE  20  14.061   8.261 -20.721
  172    HD2  PHE  20           HD2      PHE  20  13.572   4.356 -18.947
  173    HE1  PHE  20           HE1      PHE  20  11.882   8.000 -21.880
  174    HE2  PHE  20           HE2      PHE  20  11.412   4.092 -20.131
  175    HZ   PHE  20           HZ       PHE  20  10.555   5.914 -21.590
  176    H    VAL  21           H        VAL  21  15.798   5.380 -16.337
  177    HA   VAL  21           HA       VAL  21  13.268   4.757 -15.244
  178    HB   VAL  21           HB       VAL  21  16.084   4.262 -14.175
  179   1HG1  VAL  21          HG11      VAL  21  15.165   2.448 -12.857
  180   2HG1  VAL  21          HG12      VAL  21  14.341   3.930 -12.397
  181   3HG1  VAL  21          HG13      VAL  21  13.533   2.759 -13.470
  182   1HG2  VAL  21          HG21      VAL  21  14.211   2.458 -15.783
  183   2HG2  VAL  21          HG22      VAL  21  15.665   3.239 -16.406
  184   3HG2  VAL  21          HG23      VAL  21  15.814   2.008 -15.159
  185    H    GLN  22           H        GLN  22  15.868   6.947 -13.973
  186    HA   GLN  22           HA       GLN  22  14.647   7.470 -11.519
  187   1HB   GLN  22          HB2       GLN  22  17.008   8.166 -12.363
  188   2HB   GLN  22          HB3       GLN  22  16.245   9.530 -13.124
  189   1HG   GLN  22          HG2       GLN  22  17.078  10.273 -11.012
  190   2HG   GLN  22          HG3       GLN  22  15.316  10.218 -10.864
  191   1HE2  GLN  22          HE22      GLN  22  16.993   7.142 -10.838
  192   2HE2  GLN  22          HE21      GLN  22  16.841   6.839  -9.118
  193    H    MET  23           H        MET  23  14.264   9.231 -14.612
  194    HA   MET  23           HA       MET  23  12.499  11.198 -13.469
  195   1HB   MET  23          HB2       MET  23  13.079  10.412 -16.355
  196   2HB   MET  23          HB3       MET  23  12.170  11.849 -15.857
  197   1HG   MET  23          HG2       MET  23  14.100  12.718 -14.636
  198   2HG   MET  23          HG3       MET  23  15.030  11.264 -14.959
  199   1HE   MET  23          HE1       MET  23  16.230  14.107 -15.454
  200   2HE   MET  23          HE2       MET  23  17.076  12.583 -15.806
  201   3HE   MET  23          HE3       MET  23  17.012  13.869 -17.032
  202    H    GLU  24           H        GLU  24  11.966   8.111 -15.238
  203    HA   GLU  24           HA       GLU  24   9.129   8.453 -15.413
  204   1HB   GLU  24          HB2       GLU  24  10.936   6.016 -15.590
  205   2HB   GLU  24          HB3       GLU  24   9.189   5.930 -15.811
  206   1HG   GLU  24          HG2       GLU  24  11.039   7.683 -17.498
  207   2HG   GLU  24          HG3       GLU  24  10.456   6.093 -17.963
  208    H    ALA  25           H        ALA  25  11.215   7.173 -12.803
  209    HA   ALA  25           HA       ALA  25   8.993   6.210 -11.208
  210   1HB   ALA  25          HB1       ALA  25  10.630   6.209  -9.374
  211   2HB   ALA  25          HB2       ALA  25  11.359   5.500 -10.822
  212   3HB   ALA  25          HB3       ALA  25  11.765   7.159 -10.354
  213    H    ASP  26           H        ASP  26  10.876   9.270 -11.376
  214    HA   ASP  26           HA       ASP  26   9.651  10.533  -9.158
  215   1HB   ASP  26          HB2       ASP  26  11.763  11.321 -10.042
  216   2HB   ASP  26          HB3       ASP  26  11.024  11.699 -11.603
  217    H    LYS  27           H        LYS  27   8.816  10.791 -12.694
  218    HA   LYS  27           HA       LYS  27   6.670  12.591 -12.214
  219   1HB   LYS  27          HB2       LYS  27   5.984  12.234 -14.465
  220   2HB   LYS  27          HB3       LYS  27   7.735  12.259 -14.396
  221   1HG   LYS  27          HG2       LYS  27   7.404  10.547 -15.852
  222   2HG   LYS  27          HG3       LYS  27   7.552   9.649 -14.345
  223   1HD   LYS  27          HD2       LYS  27   5.087   9.413 -14.227
  224   2HD   LYS  27          HD3       LYS  27   4.901  10.400 -15.677
  225   1HE   LYS  27          HE2       LYS  27   6.422   7.755 -15.547
  226   2HE   LYS  27          HE3       LYS  27   4.723   7.895 -16.012
  227   1HZ   LYS  27          HZ1       LYS  27   6.982   9.155 -17.470
  228   2HZ   LYS  27          HZ2       LYS  27   6.248   7.817 -17.915
  229   3HZ   LYS  27          HZ3       LYS  27   5.383   9.225 -17.916
  230    H    ARG  28           H        ARG  28   6.890   9.284 -11.409
  231    HA   ARG  28           HA       ARG  28   3.941   9.086 -11.080
  232   1HB   ARG  28          HB2       ARG  28   5.593   7.365 -12.428
  233   2HB   ARG  28          HB3       ARG  28   5.763   6.706 -10.816
  234   1HG   ARG  28          HG2       ARG  28   4.022   5.495 -11.875
  235   2HG   ARG  28          HG3       ARG  28   3.198   6.575 -10.739
  236   1HD   ARG  28          HD2       ARG  28   2.631   8.120 -12.595
  237   2HD   ARG  28          HD3       ARG  28   3.604   7.151 -13.704
  238    HE   ARG  28           HE       ARG  28   1.893   5.675 -13.970
  239   1HH1  ARG  28          HH11      ARG  28   1.018   7.648 -11.131
  240   2HH1  ARG  28          HH12      ARG  28  -0.449   6.780 -10.856
  241   1HH2  ARG  28          HH21      ARG  28   0.061   4.502 -13.524
  242   2HH2  ARG  28          HH22      ARG  28  -0.991   4.945 -12.203
  243    H    LYS  29           H        LYS  29   6.460  10.157  -9.370
  244    HA   LYS  29           HA       LYS  29   7.322  10.048  -7.317
  245   1HB   LYS  29          HB2       LYS  29   4.366  10.334  -6.670
  246   2HB   LYS  29          HB3       LYS  29   5.676  10.720  -5.555
  247   1HG   LYS  29          HG2       LYS  29   5.257  12.083  -8.250
  248   2HG   LYS  29          HG3       LYS  29   4.722  12.716  -6.697
  249   1HD   LYS  29          HD2       LYS  29   7.006  12.938  -5.894
  250   2HD   LYS  29          HD3       LYS  29   7.651  12.131  -7.334
  251   1HE   LYS  29          HE2       LYS  29   6.704  13.923  -8.767
  252   2HE   LYS  29          HE3       LYS  29   6.164  14.783  -7.313
  253   1HZ   LYS  29          HZ1       LYS  29   8.506  14.917  -6.642
  254   2HZ   LYS  29          HZ2       LYS  29   8.981  14.129  -8.007
  255   3HZ   LYS  29          HZ3       LYS  29   8.290  15.610  -8.102
  256    H    LEU  30           H        LEU  30   7.483   7.573  -8.203
  257    HA   LEU  30           HA       LEU  30   6.742   5.717  -6.017
  258   1HB   LEU  30          HB2       LEU  30   8.599   5.502  -8.421
  259   2HB   LEU  30          HB3       LEU  30   8.408   4.223  -7.231
  260    HG   LEU  30           HG       LEU  30   6.163   5.335  -8.976
  261   1HD1  LEU  30          HD11      LEU  30   7.796   4.089 -10.274
  262   2HD1  LEU  30          HD12      LEU  30   7.736   2.738  -9.122
  263   3HD1  LEU  30          HD13      LEU  30   6.307   3.141 -10.102
  264   1HD2  LEU  30          HD21      LEU  30   6.183   3.003  -7.019
  265   2HD2  LEU  30          HD22      LEU  30   5.183   4.478  -6.934
  266   3HD2  LEU  30          HD23      LEU  30   4.909   3.296  -8.213
  267    H    ALA  31           H        ALA  31   8.585   4.627  -4.824
  268    HA   ALA  31           HA       ALA  31  10.895   6.435  -4.340
  269   1HB   ALA  31          HB1       ALA  31   9.198   5.053  -2.213
  270   2HB   ALA  31          HB2       ALA  31  10.717   5.921  -1.922
  271   3HB   ALA  31          HB3       ALA  31   9.293   6.809  -2.502
  272    H    GLY  32           H        GLY  32  12.835   5.273  -3.634
  273   1HA   GLY  32          HA2       GLY  32  13.518   2.755  -3.207
  274   2HA   GLY  32          HA3       GLY  32  12.824   2.561  -4.813
  275    H    TRP  33           H        TRP  33  14.865   1.905  -5.704
  276    HA   TRP  33           HA       TRP  33  16.670   4.147  -6.282
  277   1HB   TRP  33          HB2       TRP  33  18.670   2.908  -5.802
  278   2HB   TRP  33          HB3       TRP  33  17.704   3.067  -4.358
  279    HD1  TRP  33           HD1      TRP  33  18.252   0.299  -7.074
  280    HE1  TRP  33           HE1      TRP  33  18.661  -1.939  -5.902
  281    HE3  TRP  33           HE3      TRP  33  17.509   1.782  -2.221
  282    HZ2  TRP  33           HZ2      TRP  33  18.699  -2.945  -3.237
  283    HZ3  TRP  33           HZ3      TRP  33  17.769   0.147  -0.377
  284    HH2  TRP  33           HH2      TRP  33  18.375  -2.217  -0.862
  285    H    VAL  34           H        VAL  34  18.075   3.788  -8.102
  286    HA   VAL  34           HA       VAL  34  17.810   1.182  -9.466
  287    HB   VAL  34           HB       VAL  34  16.483   2.675 -10.819
  288   1HG1  VAL  34          HG11      VAL  34  17.424   4.862 -10.178
  289   2HG1  VAL  34          HG12      VAL  34  18.909   4.503 -11.079
  290   3HG1  VAL  34          HG13      VAL  34  17.362   4.669 -11.936
  291   1HG2  VAL  34          HG21      VAL  34  19.173   2.184 -12.148
  292   2HG2  VAL  34          HG22      VAL  34  17.869   1.005 -11.990
  293   3HG2  VAL  34          HG23      VAL  34  17.628   2.452 -12.979
  294    H    LYS  35           H        LYS  35  19.818   0.332 -10.093
  295    HA   LYS  35           HA       LYS  35  22.182   2.024 -10.079
  296   1HB   LYS  35          HB2       LYS  35  23.407   0.728  -8.386
  297   2HB   LYS  35          HB3       LYS  35  22.097   1.704  -7.756
  298   1HG   LYS  35          HG2       LYS  35  20.711  -0.277  -7.371
  299   2HG   LYS  35          HG3       LYS  35  21.972  -1.321  -8.068
  300   1HD   LYS  35          HD2       LYS  35  23.559  -0.665  -6.326
  301   2HD   LYS  35          HD3       LYS  35  22.477   0.590  -5.743
  302   1HE   LYS  35          HE2       LYS  35  22.491  -1.184  -4.173
  303   2HE   LYS  35          HE3       LYS  35  20.890  -1.072  -4.898
  304   1HZ   LYS  35          HZ1       LYS  35  21.905  -3.351  -4.611
  305   2HZ   LYS  35          HZ2       LYS  35  21.215  -3.045  -6.039
  306   3HZ   LYS  35          HZ3       LYS  35  22.874  -3.027  -5.887
  307    H    ASN  36           H        ASN  36  24.142   0.810 -10.631
  308    HA   ASN  36           HA       ASN  36  23.817  -1.368 -12.562
  309   1HB   ASN  36          HB2       ASN  36  25.720   0.146 -12.789
  310   2HB   ASN  36          HB3       ASN  36  26.198  -0.116 -11.110
  311   1HD2  ASN  36          HD22      ASN  36  27.672  -1.786 -10.680
  312   2HD2  ASN  36          HD21      ASN  36  28.074  -3.029 -11.840
  313    H    ARG  37           H        ARG  37  23.847  -3.546 -12.061
  314    HA   ARG  37           HA       ARG  37  24.165  -4.384  -9.217
  315   1HB   ARG  37          HB2       ARG  37  22.208  -5.262 -10.404
  316   2HB   ARG  37          HB3       ARG  37  23.208  -5.844 -11.733
  317   1HG   ARG  37          HG2       ARG  37  24.222  -7.527 -10.384
  318   2HG   ARG  37          HG3       ARG  37  23.590  -6.847  -8.880
  319   1HD   ARG  37          HD2       ARG  37  21.684  -7.814 -11.036
  320   2HD   ARG  37          HD3       ARG  37  22.506  -8.960  -9.970
  321    HE   ARG  37           HE       ARG  37  21.097  -6.725  -8.635
  322   1HH1  ARG  37          HH11      ARG  37  20.934 -10.156  -9.593
  323   2HH1  ARG  37          HH12      ARG  37  19.799 -10.568  -8.365
  324   1HH2  ARG  37          HH21      ARG  37  19.661  -7.226  -7.101
  325   2HH2  ARG  37          HH22      ARG  37  19.050  -8.859  -6.860
  326    H    ASP  38           H        ASP  38  25.921  -5.806  -8.689
  327    HA   ASP  38           HA       ASP  38  28.361  -5.175  -9.823
  328   1HB   ASP  38          HB2       ASP  38  28.090  -6.073  -7.573
  329   2HB   ASP  38          HB3       ASP  38  27.582  -7.635  -8.221
  330    H    ASP  39           H        ASP  39  26.252  -7.882 -10.722
  331    HA   ASP  39           HA       ASP  39  28.068  -9.344 -12.351
  332   1HB   ASP  39          HB2       ASP  39  25.916 -10.215 -11.534
  333   2HB   ASP  39          HB3       ASP  39  25.046  -9.042 -12.527
  334    H    GLY  40           H        GLY  40  26.534  -6.269 -12.941
  335   1HA   GLY  40          HA2       GLY  40  27.296  -4.870 -14.678
  336   2HA   GLY  40          HA3       GLY  40  27.452  -6.250 -15.772
  337    H    ARG  41           H        ARG  41  24.529  -6.577 -14.057
  338    HA   ARG  41           HA       ARG  41  22.955  -5.607 -16.371
  339   1HB   ARG  41          HB2       ARG  41  21.950  -6.903 -13.803
  340   2HB   ARG  41          HB3       ARG  41  21.065  -6.649 -15.291
  341   1HG   ARG  41          HG2       ARG  41  23.058  -8.774 -14.625
  342   2HG   ARG  41          HG3       ARG  41  21.463  -8.890 -15.339
  343   1HD   ARG  41          HD2       ARG  41  22.577  -9.331 -17.245
  344   2HD   ARG  41          HD3       ARG  41  22.755  -7.575 -17.357
  345    HE   ARG  41           HE       ARG  41  24.802  -9.159 -15.888
  346   1HH1  ARG  41          HH21      ARG  41  24.009  -7.785 -19.093
  347   2HH1  ARG  41          HH22      ARG  41  25.667  -7.552 -19.525
  348   1HH2  ARG  41          HH11      ARG  41  26.975  -8.727 -16.437
  349   2HH2  ARG  41          HH12      ARG  41  27.377  -8.230 -18.046
  350    H    VAL  42           H        VAL  42  20.799  -4.452 -15.539
  351    HA   VAL  42           HA       VAL  42  21.593  -2.337 -13.566
  352    HB   VAL  42           HB       VAL  42  19.464  -2.226 -15.744
  353   1HG1  VAL  42          HG11      VAL  42  19.278   0.178 -15.070
  354   2HG1  VAL  42          HG12      VAL  42  18.768  -0.911 -13.780
  355   3HG1  VAL  42          HG13      VAL  42  20.363  -0.135 -13.695
  356   1HG2  VAL  42          HG21      VAL  42  21.732  -2.010 -16.682
  357   2HG2  VAL  42          HG22      VAL  42  20.936  -0.437 -16.689
  358   3HG2  VAL  42          HG23      VAL  42  22.156  -0.806 -15.449
  359    H    GLU  43           H        GLU  43  20.261  -2.085 -11.786
  360    HA   GLU  43           HA       GLU  43  18.080  -4.072 -11.374
  361   1HB   GLU  43          HB2       GLU  43  19.990  -4.754 -10.040
  362   2HB   GLU  43          HB3       GLU  43  20.270  -3.095  -9.495
  363   1HG   GLU  43          HG2       GLU  43  18.013  -3.167  -8.327
  364   2HG   GLU  43          HG3       GLU  43  17.903  -4.877  -8.754
  365    H    ILE  44           H        ILE  44  16.234  -3.143 -10.765
  366    HA   ILE  44           HA       ILE  44  16.122  -0.301  -9.881
  367    HB   ILE  44           HB       ILE  44  14.182  -1.942 -11.569
  368   1HG1  ILE  44          HG12      ILE  44  15.790   0.375 -12.698
  369   2HG1  ILE  44          HG13      ILE  44  16.433  -1.254 -12.765
  370   1HG2  ILE  44          HG21      ILE  44  13.007   0.202 -11.965
  371   2HG2  ILE  44          HG22      ILE  44  13.085  -0.162 -10.244
  372   3HG2  ILE  44          HG23      ILE  44  14.189   1.040 -10.945
  373   1HD1  ILE  44          HD11      ILE  44  14.459  -2.067 -13.914
  374   2HD1  ILE  44          HD12      ILE  44  13.822  -0.401 -13.986
  375   3HD1  ILE  44          HD13      ILE  44  15.333  -0.810 -14.822
  376    H    LEU  45           H        LEU  45  14.864  -0.096  -7.958
  377    HA   LEU  45           HA       LEU  45  13.213  -2.389  -7.082
  378   1HB   LEU  45          HB2       LEU  45  15.633  -2.524  -6.179
  379   2HB   LEU  45          HB3       LEU  45  15.254  -1.092  -5.227
  380    HG   LEU  45           HG       LEU  45  13.765  -3.759  -5.132
  381   1HD1  LEU  45          HD11      LEU  45  15.747  -2.571  -3.158
  382   2HD1  LEU  45          HD12      LEU  45  14.922  -4.141  -3.017
  383   3HD1  LEU  45          HD13      LEU  45  16.105  -3.877  -4.307
  384   1HD2  LEU  45          HD21      LEU  45  13.480  -1.256  -3.419
  385   2HD2  LEU  45          HD22      LEU  45  12.213  -2.097  -4.349
  386   3HD2  LEU  45          HD23      LEU  45  12.888  -2.855  -2.916
  387    H    ALA  46           H        ALA  46  11.241  -1.476  -6.574
  388    HA   ALA  46           HA       ALA  46  11.158   1.353  -5.722
  389   1HB   ALA  46          HB1       ALA  46   9.734   0.291  -8.205
  390   2HB   ALA  46          HB2       ALA  46   9.609   1.932  -7.534
  391   3HB   ALA  46          HB3       ALA  46  11.146   1.372  -8.217
  392    H    GLU  47           H        GLU  47   9.222   1.917  -4.701
  393    HA   GLU  47           HA       GLU  47   7.047  -0.084  -4.589
  394   1HB   GLU  47          HB2       GLU  47   6.846   0.277  -2.158
  395   2HB   GLU  47          HB3       GLU  47   8.369  -0.462  -2.637
  396   1HG   GLU  47          HG2       GLU  47   9.473   1.806  -2.398
  397   2HG   GLU  47          HG3       GLU  47   7.923   2.445  -1.821
  398    H    GLY  48           H        GLY  48   5.017   0.726  -3.986
  399   1HA   GLY  48          HA2       GLY  48   4.119   3.243  -3.433
  400   2HA   GLY  48          HA3       GLY  48   4.476   3.326  -5.162
  401    HA   PRO  49           HA       PRO  49   0.105   1.712  -4.733
  402   1HB   PRO  49          HB2       PRO  49  -0.037   3.464  -7.188
  403   2HB   PRO  49          HB3       PRO  49  -1.253   3.239  -5.894
  404   1HG   PRO  49          HG2       PRO  49   0.299   5.466  -5.962
  405   2HG   PRO  49          HG3       PRO  49  -0.036   4.644  -4.404
  406   1HD   PRO  49          HD2       PRO  49   2.443   4.458  -6.127
  407   2HD   PRO  49          HD3       PRO  49   2.305   4.623  -4.353
  408    H    GLU  50           H        GLU  50  -0.786   0.033  -6.018
  409    HA   GLU  50           HA       GLU  50   0.994  -1.453  -7.628
  410   1HB   GLU  50          HB2       GLU  50  -0.995  -2.272  -6.292
  411   2HB   GLU  50          HB3       GLU  50  -2.045  -1.629  -7.561
  412   1HG   GLU  50          HG2       GLU  50  -0.824  -3.151  -9.199
  413   2HG   GLU  50          HG3       GLU  50   0.061  -3.822  -7.836
  414    H    ASN  51           H        ASN  51  -1.522   0.926  -8.566
  415    HA   ASN  51           HA       ASN  51  -1.293   0.348 -11.396
  416   1HB   ASN  51          HB2       ASN  51  -2.696   2.154 -11.821
  417   2HB   ASN  51          HB3       ASN  51  -3.300   1.455 -10.332
  418   1HD2  ASN  51          HD22      ASN  51  -3.177   2.781  -8.363
  419   2HD2  ASN  51          HD21      ASN  51  -2.687   4.449  -8.437
  420    H    ALA  52           H        ALA  52   0.352   2.621  -9.191
  421    HA   ALA  52           HA       ALA  52   1.752   4.085 -11.229
  422   1HB   ALA  52          HB1       ALA  52   3.223   4.765  -9.332
  423   2HB   ALA  52          HB2       ALA  52   1.502   4.967  -8.945
  424   3HB   ALA  52          HB3       ALA  52   2.419   3.589  -8.291
  425    H    LEU  53           H        LEU  53   2.561   1.213  -9.246
  426    HA   LEU  53           HA       LEU  53   5.132   0.776 -10.364
  427   1HB   LEU  53          HB2       LEU  53   3.080  -1.055  -9.069
  428   2HB   LEU  53          HB3       LEU  53   4.659  -1.626  -9.570
  429    HG   LEU  53           HG       LEU  53   4.257   0.659  -7.593
  430   1HD1  LEU  53          HD11      LEU  53   4.887  -2.278  -7.073
  431   2HD1  LEU  53          HD12      LEU  53   4.854  -0.972  -5.868
  432   3HD1  LEU  53          HD13      LEU  53   3.364  -1.436  -6.688
  433   1HD2  LEU  53          HD21      LEU  53   6.609   0.295  -6.995
  434   2HD2  LEU  53          HD22      LEU  53   6.757  -0.965  -8.230
  435   3HD2  LEU  53          HD23      LEU  53   6.480   0.723  -8.698
  436    H    GLN  54           H        GLN  54   1.881  -0.461 -11.454
  437    HA   GLN  54           HA       GLN  54   2.937  -2.028 -13.573
  438   1HB   GLN  54          HB2       GLN  54   0.273  -0.645 -13.162
  439   2HB   GLN  54          HB3       GLN  54   0.619  -1.562 -14.633
  440   1HG   GLN  54          HG2       GLN  54   0.952  -3.607 -13.441
  441   2HG   GLN  54          HG3       GLN  54   0.993  -2.795 -11.879
  442   1HE2  GLN  54          HE22      GLN  54  -0.951  -1.931 -10.992
  443   2HE2  GLN  54          HE21      GLN  54  -2.535  -2.502 -11.510
  444    H    SER  55           H        SER  55   1.859   1.470 -13.681
  445    HA   SER  55           HA       SER  55   2.586   1.904 -16.376
  446   1HB   SER  55          HB2       SER  55   2.965   3.846 -14.066
  447   2HB   SER  55          HB3       SER  55   2.772   4.251 -15.779
  448    HG   SER  55           HG       SER  55   0.652   3.314 -15.642
  449    H    PHE  56           H        PHE  56   4.619   1.870 -13.414
  450    HA   PHE  56           HA       PHE  56   6.929   2.799 -14.775
  451   1HB   PHE  56          HB2       PHE  56   6.450   3.009 -12.357
  452   2HB   PHE  56          HB3       PHE  56   6.748   1.285 -12.157
  453    HD1  PHE  56           HD1      PHE  56   8.570   4.032 -14.048
  454    HD2  PHE  56           HD2      PHE  56   8.711   1.107 -10.877
  455    HE1  PHE  56           HE1      PHE  56  10.949   4.575 -13.631
  456    HE2  PHE  56           HE2      PHE  56  11.086   1.669 -10.469
  457    HZ   PHE  56           HZ       PHE  56  12.185   3.435 -11.803
  458    H    VAL  57           H        VAL  57   5.687  -0.588 -14.224
  459    HA   VAL  57           HA       VAL  57   8.027  -1.780 -15.365
  460    HB   VAL  57           HB       VAL  57   5.225  -2.895 -15.749
  461   1HG1  VAL  57          HG11      VAL  57   7.056  -3.950 -17.076
  462   2HG1  VAL  57          HG12      VAL  57   7.981  -4.210 -15.591
  463   3HG1  VAL  57          HG13      VAL  57   6.435  -5.054 -15.847
  464   1HG2  VAL  57          HG21      VAL  57   5.429  -2.611 -13.362
  465   2HG2  VAL  57          HG22      VAL  57   5.705  -4.307 -13.720
  466   3HG2  VAL  57          HG23      VAL  57   7.090  -3.246 -13.374
  467    H    GLU  58           H        GLU  58   4.989  -0.473 -16.865
  468    HA   GLU  58           HA       GLU  58   5.663  -1.206 -19.513
  469   1HB   GLU  58          HB2       GLU  58   3.957   1.083 -18.470
  470   2HB   GLU  58          HB3       GLU  58   4.137   0.692 -20.182
  471   1HG   GLU  58          HG2       GLU  58   3.320  -1.612 -19.751
  472   2HG   GLU  58          HG3       GLU  58   3.069  -1.210 -18.055
  473    H    ALA  59           H        ALA  59   6.646   1.676 -17.626
  474    HA   ALA  59           HA       ALA  59   8.118   2.890 -19.743
  475   1HB   ALA  59          HB1       ALA  59   7.459   4.103 -17.703
  476   2HB   ALA  59          HB2       ALA  59   8.537   3.079 -16.727
  477   3HB   ALA  59          HB3       ALA  59   9.214   4.158 -17.954
  478    H    VAL  60           H        VAL  60   9.174   0.731 -17.035
  479    HA   VAL  60           HA       VAL  60  11.915   0.813 -17.666
  480    HB   VAL  60           HB       VAL  60  10.131  -1.009 -16.027
  481   1HG1  VAL  60          HG11      VAL  60  11.908  -2.522 -16.679
  482   2HG1  VAL  60          HG12      VAL  60  13.140  -1.302 -16.296
  483   3HG1  VAL  60          HG13      VAL  60  12.145  -2.021 -15.005
  484   1HG2  VAL  60          HG21      VAL  60  12.369   0.932 -15.268
  485   2HG2  VAL  60          HG22      VAL  60  10.650   1.333 -15.237
  486   3HG2  VAL  60          HG23      VAL  60  11.272   0.089 -14.151
  487    H    LYS  61           H        LYS  61   9.399  -1.561 -18.723
  488    HA   LYS  61           HA       LYS  61  11.293  -3.340 -19.859
  489   1HB   LYS  61          HB2       LYS  61   9.466  -4.489 -20.844
  490   2HB   LYS  61          HB3       LYS  61   8.974  -3.937 -19.242
  491   1HG   LYS  61          HG2       LYS  61   7.680  -2.081 -20.280
  492   2HG   LYS  61          HG3       LYS  61   8.227  -2.580 -21.878
  493   1HD   LYS  61          HD2       LYS  61   5.986  -3.373 -21.533
  494   2HD   LYS  61          HD3       LYS  61   7.094  -4.753 -21.613
  495   1HE   LYS  61          HE2       LYS  61   7.042  -4.943 -19.146
  496   2HE   LYS  61          HE3       LYS  61   5.967  -3.540 -19.051
  497   1HZ   LYS  61          HZ1       LYS  61   4.310  -4.826 -20.294
  498   2HZ   LYS  61          HZ2       LYS  61   5.310  -6.114 -20.377
  499   3HZ   LYS  61          HZ3       LYS  61   4.733  -5.623 -18.938
  500    H    ASN  62           H        ASN  62  10.256  -0.261 -21.079
  501    HA   ASN  62           HA       ASN  62  10.802  -0.774 -23.881
  502   1HB   ASN  62          HB2       ASN  62   9.431   1.156 -23.053
  503   2HB   ASN  62          HB3       ASN  62  10.878   1.842 -22.310
  504   1HD2  ASN  62          HD22      ASN  62  12.282   3.043 -23.557
  505   2HD2  ASN  62          HD21      ASN  62  12.057   3.317 -25.282
  506    H    GLY  63           H        GLY  63  12.795  -0.110 -21.029
  507   1HA   GLY  63          HA2       GLY  63  15.054   0.409 -20.810
  508   2HA   GLY  63          HA3       GLY  63  15.287   0.218 -22.545
  509    H    SER  64           H        SER  64  16.501   2.449 -21.998
  510    HA   SER  64           HA       SER  64  14.710   4.767 -22.163
  511   1HB   SER  64          HB2       SER  64  16.705   6.009 -22.808
  512   2HB   SER  64          HB3       SER  64  17.031   5.044 -21.368
  513    HG   SER  64           HG       SER  64  18.722   4.887 -22.858
  514    HA   PRO  65           HA       PRO  65  13.901   4.544 -26.650
  515   1HB   PRO  65          HB2       PRO  65  15.187   7.289 -26.580
  516   2HB   PRO  65          HB3       PRO  65  13.769   6.742 -27.532
  517   1HG   PRO  65          HG2       PRO  65  13.399   8.101 -25.217
  518   2HG   PRO  65          HG3       PRO  65  12.394   6.660 -25.575
  519   1HD   PRO  65          HD2       PRO  65  14.747   6.891 -23.711
  520   2HD   PRO  65          HD3       PRO  65  13.246   5.916 -23.548
  521    H    PHE  66           H        PHE  66  17.129   5.264 -25.329
  522    HA   PHE  66           HA       PHE  66  18.466   4.698 -27.900
  523   1HB   PHE  66          HB2       PHE  66  19.639   5.337 -25.176
  524   2HB   PHE  66          HB3       PHE  66  20.479   5.361 -26.719
  525    HD1  PHE  66           HD1      PHE  66  19.494   7.049 -28.534
  526    HD2  PHE  66           HD2      PHE  66  18.767   7.325 -24.286
  527    HE1  PHE  66           HE1      PHE  66  18.882   9.442 -28.788
  528    HE2  PHE  66           HE2      PHE  66  18.154   9.715 -24.550
  529    HZ   PHE  66           HZ       PHE  66  18.209  10.778 -26.800
  530    H    SER  67           H        SER  67  17.425   2.963 -25.071
  531    HA   SER  67           HA       SER  67  19.578   1.031 -24.963
  532   1HB   SER  67          HB2       SER  67  16.744   1.001 -23.864
  533   2HB   SER  67          HB3       SER  67  18.007  -0.146 -23.422
  534    HG   SER  67           HG       SER  67  18.236   2.672 -23.016
  535    H    LYS  68           H        LYS  68  19.061  -1.310 -25.124
  536    HA   LYS  68           HA       LYS  68  16.681  -2.099 -26.626
  537   1HB   LYS  68          HB2       LYS  68  18.467  -2.068 -28.390
  538   2HB   LYS  68          HB3       LYS  68  19.426  -3.187 -27.412
  539   1HG   LYS  68          HG2       LYS  68  17.446  -4.804 -27.497
  540   2HG   LYS  68          HG3       LYS  68  16.688  -3.689 -28.647
  541   1HD   LYS  68          HD2       LYS  68  18.707  -3.977 -30.148
  542   2HD   LYS  68          HD3       LYS  68  19.368  -5.113 -28.962
  543   1HE   LYS  68          HE2       LYS  68  18.383  -6.413 -30.704
  544   2HE   LYS  68          HE3       LYS  68  17.378  -6.587 -29.265
  545   1HZ   LYS  68          HZ1       LYS  68  16.772  -4.822 -31.573
  546   2HZ   LYS  68          HZ2       LYS  68  16.060  -6.250 -31.263
  547   3HZ   LYS  68          HZ3       LYS  68  15.819  -4.997 -30.253
  548    H    VAL  69           H        VAL  69  15.830  -2.933 -24.726
  549    HA   VAL  69           HA       VAL  69  17.327  -4.582 -22.859
  550    HB   VAL  69           HB       VAL  69  14.324  -4.409 -23.415
  551   1HG1  VAL  69          HG11      VAL  69  14.837  -6.465 -22.187
  552   2HG1  VAL  69          HG12      VAL  69  15.852  -5.571 -21.043
  553   3HG1  VAL  69          HG13      VAL  69  14.094  -5.305 -21.088
  554   1HG2  VAL  69          HG21      VAL  69  14.239  -2.939 -21.408
  555   2HG2  VAL  69          HG22      VAL  69  16.014  -2.922 -21.360
  556   3HG2  VAL  69          HG23      VAL  69  15.141  -2.211 -22.733
  557    H    THR  70           H        THR  70  17.807  -6.762 -23.125
  558    HA   THR  70           HA       THR  70  16.399  -8.245 -25.298
  559    HB   THR  70           HB       THR  70  18.468  -9.536 -25.579
  560    HG1  THR  70           HG1      THR  70  20.275  -9.019 -24.495
  561   1HG2  THR  70          HG21      THR  70  18.060  -7.488 -26.987
  562   2HG2  THR  70          HG22      THR  70  19.009  -6.537 -25.825
  563   3HG2  THR  70          HG23      THR  70  19.779  -7.839 -26.753
  564    H    ASP  71           H        ASP  71  17.125  -8.071 -21.873
  565    HA   ASP  71           HA       ASP  71  15.330 -10.332 -21.464
  566   1HB   ASP  71          HB2       ASP  71  17.482 -11.505 -21.552
  567   2HB   ASP  71          HB3       ASP  71  18.190 -10.359 -20.418
  568    H    ILE  72           H        ILE  72  14.347 -10.216 -19.408
  569    HA   ILE  72           HA       ILE  72  15.082  -8.127 -17.524
  570    HB   ILE  72           HB       ILE  72  13.768  -6.877 -19.097
  571   1HG1  ILE  72          HG12      ILE  72  11.959  -7.460 -16.723
  572   2HG1  ILE  72          HG13      ILE  72  13.442  -6.511 -16.635
  573   1HG2  ILE  72          HG21      ILE  72  11.493  -8.884 -18.795
  574   2HG2  ILE  72          HG22      ILE  72  11.471  -7.399 -19.764
  575   3HG2  ILE  72          HG23      ILE  72  12.530  -8.715 -20.228
  576   1HD1  ILE  72          HD11      ILE  72  11.548  -5.014 -16.808
  577   2HD1  ILE  72          HD12      ILE  72  12.518  -4.895 -18.287
  578   3HD1  ILE  72          HD13      ILE  72  10.982  -5.798 -18.283
  579    H    SER  73           H        SER  73  14.276  -8.594 -15.447
  580    HA   SER  73           HA       SER  73  12.737 -11.106 -15.018
  581   1HB   SER  73          HB2       SER  73  15.424 -10.397 -13.743
  582   2HB   SER  73          HB3       SER  73  14.431 -11.814 -13.365
  583    HG   SER  73           HG       SER  73  16.123 -12.298 -14.832
  584    H    VAL  74           H        VAL  74  11.791 -11.167 -12.823
  585    HA   VAL  74           HA       VAL  74  11.536  -8.491 -11.552
  586    HB   VAL  74           HB       VAL  74   9.243 -10.263 -12.504
  587   1HG1  VAL  74          HG11      VAL  74   8.563  -9.026 -10.521
  588   2HG1  VAL  74          HG12      VAL  74   9.218  -7.513 -11.180
  589   3HG1  VAL  74          HG13      VAL  74   7.810  -8.292 -11.930
  590   1HG2  VAL  74          HG21      VAL  74   8.715  -8.391 -14.083
  591   2HG2  VAL  74          HG22      VAL  74  10.272  -7.643 -13.671
  592   3HG2  VAL  74          HG23      VAL  74  10.212  -9.228 -14.471
  593    H    THR  75           H        THR  75  10.972  -8.519  -9.406
  594    HA   THR  75           HA       THR  75  10.334 -11.040  -8.000
  595    HB   THR  75           HB       THR  75  12.032  -8.947  -6.657
  596    HG1  THR  75           HG1      THR  75  13.025  -9.688  -8.748
  597   1HG2  THR  75          HG21      THR  75  11.155 -10.834  -5.347
  598   2HG2  THR  75          HG22      THR  75  12.013 -11.975  -6.410
  599   3HG2  THR  75          HG23      THR  75  12.923 -10.831  -5.392
  600    H    GLU  76           H        GLU  76   8.730 -10.544  -6.301
  601    HA   GLU  76           HA       GLU  76   7.822  -7.714  -6.145
  602   1HB   GLU  76          HB2       GLU  76   5.561  -8.487  -6.121
  603   2HB   GLU  76          HB3       GLU  76   6.387  -9.125  -7.553
  604   1HG   GLU  76          HG2       GLU  76   6.657 -11.324  -6.420
  605   2HG   GLU  76          HG3       GLU  76   5.790 -10.698  -5.014
  606    H    SER  77           H        SER  77   6.864  -7.115  -4.067
  607    HA   SER  77           HA       SER  77   7.163  -8.866  -1.753
  608   1HB   SER  77          HB2       SER  77   9.073  -6.551  -2.323
  609   2HB   SER  77          HB3       SER  77   8.845  -7.238  -0.703
  610    HG   SER  77           HG       SER  77   9.312  -9.052  -2.735
  611    H    ARG  78           H        ARG  78   6.737  -7.529   0.278
  612    HA   ARG  78           HA       ARG  78   5.206  -5.053  -0.112
  613   1HB   ARG  78          HB2       ARG  78   3.271  -5.820   1.140
  614   2HB   ARG  78          HB3       ARG  78   3.479  -6.750  -0.330
  615   1HG   ARG  78          HG2       ARG  78   3.374  -8.653   0.814
  616   2HG   ARG  78          HG3       ARG  78   4.852  -8.234   1.678
  617   1HD   ARG  78          HD2       ARG  78   3.293  -6.830   3.249
  618   2HD   ARG  78          HD3       ARG  78   1.972  -7.708   2.489
  619    HE   ARG  78           HE       ARG  78   2.564  -9.620   3.624
  620   1HH1  ARG  78          HH21      ARG  78   5.211  -7.257   3.961
  621   2HH1  ARG  78          HH22      ARG  78   6.012  -8.139   5.219
  622   1HH2  ARG  78          HH11      ARG  78   3.653 -10.792   5.276
  623   2HH2  ARG  78          HH12      ARG  78   5.111 -10.194   5.969
  624    H    SER  79           H        SER  79   7.637  -5.021   0.661
  625    HA   SER  79           HA       SER  79   7.891  -5.415   3.604
  626   1HB   SER  79          HB2       SER  79   9.857  -6.307   1.459
  627   2HB   SER  79          HB3       SER  79   9.857  -6.718   3.183
  628    HG   SER  79           HG       SER  79   9.002  -8.424   1.973
  629    H    LEU  80           H        LEU  80   7.449  -3.056   3.347
  630    HA   LEU  80           HA       LEU  80   8.560  -1.522   1.431
  631   1HB   LEU  80          HB2       LEU  80   7.584  -0.583   4.151
  632   2HB   LEU  80          HB3       LEU  80   7.931   0.475   2.803
  633    HG   LEU  80           HG       LEU  80   5.600   0.233   2.924
  634   1HD1  LEU  80          HD11      LEU  80   4.961  -0.621   0.727
  635   2HD1  LEU  80          HD12      LEU  80   6.475   0.286   0.631
  636   3HD1  LEU  80          HD13      LEU  80   6.497  -1.489   0.574
  637   1HD2  LEU  80          HD21      LEU  80   5.516  -1.949   4.162
  638   2HD2  LEU  80          HD22      LEU  80   4.316  -1.762   2.878
  639   3HD2  LEU  80          HD23      LEU  80   5.727  -2.782   2.597
  640    H    GLU  81           H        GLU  81  10.265  -0.201   1.087
  641    HA   GLU  81           HA       GLU  81  12.577  -0.580   2.893
  642   1HB   GLU  81          HB2       GLU  81  13.995  -0.290   1.032
  643   2HB   GLU  81          HB3       GLU  81  12.762  -1.471   0.659
  644   1HG   GLU  81          HG2       GLU  81  12.872  -0.317  -1.323
  645   2HG   GLU  81          HG3       GLU  81  11.531   0.503  -0.565
  646    H    GLY  82           H        GLY  82  10.504   1.987   1.576
  647   1HA   GLY  82          HA2       GLY  82   9.861   3.706   2.865
  648   2HA   GLY  82          HA3       GLY  82  11.030   3.210   4.089
  649    H    HIS  83           H        HIS  83  12.372   4.024   0.899
  650    HA   HIS  83           HA       HIS  83  13.701   6.384   1.925
  651   1HB   HIS  83          HB2       HIS  83  13.259   5.265  -0.864
  652   2HB   HIS  83          HB3       HIS  83  13.916   6.866  -0.621
  653    HD1  HIS  83           HD1      HIS  83  15.027   3.257  -0.425
  654    HD2  HIS  83           HD2      HIS  83  16.335   7.135   0.602
  655    HE1  HIS  83           HE1      HIS  83  17.518   3.073   0.072
  656    H    HIS  84           H        HIS  84  13.251   8.563   1.499
  657    HA   HIS  84           HA       HIS  84  10.432   9.307   1.243
  658   1HB   HIS  84          HB2       HIS  84  11.355  11.592   1.704
  659   2HB   HIS  84          HB3       HIS  84  11.746  10.398   2.928
  660    HD1  HIS  84           HD1      HIS  84  14.313  10.054   3.448
  661    HD2  HIS  84           HD2      HIS  84  13.476  12.289  -0.020
  662    HE1  HIS  84           HE1      HIS  84  16.543  10.930   2.608
  663    H    ARG  85           H        ARG  85  12.453   8.338  -1.117
  664    HA   ARG  85           HA       ARG  85  11.583  10.184  -3.198
  665   1HB   ARG  85          HB2       ARG  85  13.891  10.851  -3.792
  666   2HB   ARG  85          HB3       ARG  85  13.484  11.436  -2.187
  667   1HG   ARG  85          HG2       ARG  85  14.773   9.599  -1.142
  668   2HG   ARG  85          HG3       ARG  85  15.075   8.881  -2.727
  669   1HD   ARG  85          HD2       ARG  85  16.269  11.003  -3.382
  670   2HD   ARG  85          HD3       ARG  85  16.154  11.520  -1.695
  671    HE   ARG  85           HE       ARG  85  17.500   9.045  -2.730
  672   1HH1  ARG  85          HH21      ARG  85  17.176  11.348  -0.032
  673   2HH1  ARG  85          HH22      ARG  85  18.685  10.904   0.690
  674   1HH2  ARG  85          HH11      ARG  85  19.382   8.368  -1.701
  675   2HH2  ARG  85          HH12      ARG  85  19.922   9.094  -0.232
  676    H    PHE  86           H        PHE  86  12.696   9.455  -5.307
  677    HA   PHE  86           HA       PHE  86  13.506   6.603  -5.264
  678   1HB   PHE  86          HB2       PHE  86  11.836   7.571  -7.046
  679   2HB   PHE  86          HB3       PHE  86  13.250   8.345  -7.723
  680    HD1  PHE  86           HD1      PHE  86  12.131   4.941  -6.483
  681    HD2  PHE  86           HD2      PHE  86  14.282   7.170  -9.427
  682    HE1  PHE  86           HE1      PHE  86  12.786   2.823  -7.590
  683    HE2  PHE  86           HE2      PHE  86  14.951   5.061 -10.560
  684    HZ   PHE  86           HZ       PHE  86  14.199   2.875  -9.629
  685    H    SER  87           H        SER  87  15.712   6.170  -6.036
  686    HA   SER  87           HA       SER  87  17.549   8.540  -6.061
  687   1HB   SER  87          HB2       SER  87  18.078   5.855  -4.733
  688   2HB   SER  87          HB3       SER  87  19.063   7.323  -4.640
  689    HG   SER  87           HG       SER  87  16.555   6.752  -3.484
  690    H    ILE  88           H        ILE  88  19.486   8.324  -7.261
  691    HA   ILE  88           HA       ILE  88  19.827   5.859  -8.912
  692    HB   ILE  88           HB       ILE  88  21.427   8.444  -9.185
  693   1HG1  ILE  88          HG12      ILE  88  19.107   7.564 -10.944
  694   2HG1  ILE  88          HG13      ILE  88  19.102   8.953  -9.835
  695   1HG2  ILE  88          HG21      ILE  88  22.201   7.427 -11.283
  696   2HG2  ILE  88          HG22      ILE  88  22.465   6.282  -9.979
  697   3HG2  ILE  88          HG23      ILE  88  21.077   6.068 -11.074
  698   1HD1  ILE  88          HD11      ILE  88  20.706   8.672 -12.395
  699   2HD1  ILE  88          HD12      ILE  88  19.385   9.787 -12.046
  700   3HD1  ILE  88          HD13      ILE  88  20.937   9.981 -11.204
  701    H    VAL  89           H        VAL  89  21.536   4.548  -8.199
  702    HA   VAL  89           HA       VAL  89  23.397   5.640  -6.151
  703    HB   VAL  89           HB       VAL  89  21.955   2.954  -6.021
  704   1HG1  VAL  89          HG11      VAL  89  24.197   2.784  -5.042
  705   2HG1  VAL  89          HG12      VAL  89  23.908   4.251  -4.073
  706   3HG1  VAL  89          HG13      VAL  89  22.981   2.768  -3.769
  707   1HG2  VAL  89          HG21      VAL  89  21.565   5.437  -4.316
  708   2HG2  VAL  89          HG22      VAL  89  20.384   4.705  -5.428
  709   3HG2  VAL  89          HG23      VAL  89  20.872   3.834  -3.978
  710    H    TYR  90           H        TYR  90  25.490   4.771  -6.300
  711    HA   TYR  90           HA       TYR  90  26.131   2.869  -8.467
  712   1HB   TYR  90          HB2       TYR  90  27.741   4.488  -9.452
  713   2HB   TYR  90          HB3       TYR  90  26.070   4.980  -9.606
  714    HD1  TYR  90           HD2      TYR  90  29.273   5.692  -7.843
  715    HD2  TYR  90           HD1      TYR  90  25.215   6.990  -8.542
  716    HE1  TYR  90           HE2      TYR  90  29.794   7.876  -6.799
  717    HE2  TYR  90           HE1      TYR  90  25.724   9.172  -7.502
  718    HH   TYR  90           HH       TYR  90  27.348  10.496  -6.475
  719    H    SER  91           H        SER  91  26.467   3.559  -5.316
  720    HA   SER  91           HA       SER  91  29.161   3.654  -4.665
  721   1HB   SER  91          HB2       SER  91  27.007   2.141  -3.143
  722   2HB   SER  91          HB3       SER  91  28.444   2.940  -2.490
  723    HG   SER  91           HG       SER  91  26.565   4.242  -2.224
  Start of MODEL   20
    1   1H    MET   1          H1        MET   1  -0.503   0.789  -0.279
    2   2H    MET   1          H2        MET   1  -0.781  -0.766  -0.707
    3   3H    MET   1          H3        MET   1   0.291  -0.438   0.476
    4    HA   MET   1           HA       MET   1   0.586   0.253  -2.368
    5   1HB   MET   1          HB2       MET   1   2.438   0.814  -0.004
    6   2HB   MET   1          HB3       MET   1   2.979   0.837  -1.679
    7   1HG   MET   1          HG2       MET   1   1.193   2.534  -2.196
    8   2HG   MET   1          HG3       MET   1   0.863   2.638  -0.462
    9   1HE   MET   1          HE1       MET   1   1.223   5.249  -0.484
   10   2HE   MET   1          HE2       MET   1   2.636   6.039  -1.219
   11   3HE   MET   1          HE3       MET   1   1.485   5.150  -2.241
   12    H    LEU   2           H        LEU   2   2.742  -0.772  -3.188
   13    HA   LEU   2           HA       LEU   2   3.246  -3.460  -2.110
   14   1HB   LEU   2          HB2       LEU   2   1.726  -2.890  -4.564
   15   2HB   LEU   2          HB3       LEU   2   3.207  -3.727  -4.966
   16    HG   LEU   2           HG       LEU   2   1.224  -4.702  -2.866
   17   1HD1  LEU   2          HD11      LEU   2   0.212  -4.705  -5.108
   18   2HD1  LEU   2          HD12      LEU   2   1.607  -5.594  -5.758
   19   3HD1  LEU   2          HD13      LEU   2   0.531  -6.357  -4.564
   20   1HD2  LEU   2          HD21      LEU   2   2.423  -6.866  -3.089
   21   2HD2  LEU   2          HD22      LEU   2   3.590  -6.113  -4.195
   22   3HD2  LEU   2          HD23      LEU   2   3.503  -5.612  -2.496
   23    H    GLN   3           H        GLN   3   5.170  -4.348  -3.748
   24    HA   GLN   3           HA       GLN   3   7.066  -2.188  -4.337
   25   1HB   GLN   3          HB2       GLN   3   7.228  -2.639  -1.886
   26   2HB   GLN   3          HB3       GLN   3   7.426  -4.347  -2.225
   27   1HG   GLN   3          HG2       GLN   3   9.640  -3.723  -3.393
   28   2HG   GLN   3          HG3       GLN   3   9.391  -2.101  -2.731
   29   1HE2  GLN   3          HE22      GLN   3  10.903  -1.967  -1.057
   30   2HE2  GLN   3          HE21      GLN   3  10.952  -3.143   0.281
   31    H    TYR   4           H        TYR   4   8.900  -3.042  -5.590
   32    HA   TYR   4           HA       TYR   4   8.968  -5.898  -6.111
   33   1HB   TYR   4          HB2       TYR   4   9.007  -5.732  -8.552
   34   2HB   TYR   4          HB3       TYR   4   7.459  -5.378  -7.854
   35    HD1  TYR   4           HD2      TYR   4  10.485  -3.152  -8.665
   36    HD2  TYR   4           HD1      TYR   4   6.295  -4.034  -9.284
   37    HE1  TYR   4           HE2      TYR   4  10.363  -1.357 -10.317
   38    HE2  TYR   4           HE1      TYR   4   6.196  -2.252 -10.985
   39    HH   TYR   4           HH       TYR   4   9.079  -0.393 -12.001
   40    H    ARG   5           H        ARG   5  10.822  -6.479  -7.435
   41    HA   ARG   5           HA       ARG   5  13.009  -4.480  -7.637
   42   1HB   ARG   5          HB2       ARG   5  13.549  -6.136  -5.829
   43   2HB   ARG   5          HB3       ARG   5  13.223  -7.443  -6.963
   44   1HG   ARG   5          HG2       ARG   5  15.146  -6.566  -8.409
   45   2HG   ARG   5          HG3       ARG   5  15.469  -5.390  -7.117
   46   1HD   ARG   5          HD2       ARG   5  16.947  -7.334  -6.914
   47   2HD   ARG   5          HD3       ARG   5  15.843  -7.261  -5.528
   48    HE   ARG   5           HE       ARG   5  14.668  -8.895  -7.546
   49   1HH1  ARG   5          HH21      ARG   5  17.375  -9.052  -5.251
   50   2HH1  ARG   5          HH22      ARG   5  17.342 -10.771  -5.135
   51   1HH2  ARG   5          HH11      ARG   5  14.537 -11.104  -7.316
   52   2HH2  ARG   5          HH12      ARG   5  15.699 -11.988  -6.372
   53    H    ILE   6           H        ILE   6  13.866  -4.512  -9.755
   54    HA   ILE   6           HA       ILE   6  12.983  -6.637 -11.614
   55    HB   ILE   6           HB       ILE   6  12.792  -3.629 -12.098
   56   1HG1  ILE   6          HG12      ILE   6  10.712  -5.846 -11.995
   57   2HG1  ILE   6          HG13      ILE   6  10.898  -4.536 -10.845
   58   1HG2  ILE   6          HG21      ILE   6  13.682  -4.795 -14.116
   59   2HG2  ILE   6          HG22      ILE   6  12.279  -5.883 -14.092
   60   3HG2  ILE   6          HG23      ILE   6  12.079  -4.147 -14.386
   61   1HD1  ILE   6          HD11      ILE   6  10.292  -2.899 -12.650
   62   2HD1  ILE   6          HD12      ILE   6   9.907  -4.291 -13.699
   63   3HD1  ILE   6          HD13      ILE   6   9.021  -4.052 -12.187
   64    H    ILE   7           H        ILE   7  14.595  -7.184 -13.053
   65    HA   ILE   7           HA       ILE   7  17.172  -5.709 -12.888
   66    HB   ILE   7           HB       ILE   7  16.898  -8.709 -13.273
   67   1HG1  ILE   7          HG12      ILE   7  16.265  -8.289 -10.957
   68   2HG1  ILE   7          HG13      ILE   7  17.806  -9.109 -11.074
   69   1HG2  ILE   7          HG21      ILE   7  19.332  -6.938 -12.892
   70   2HG2  ILE   7          HG22      ILE   7  19.346  -8.720 -12.898
   71   3HG2  ILE   7          HG23      ILE   7  18.854  -7.842 -14.346
   72   1HD1  ILE   7          HD11      ILE   7  17.850  -7.413  -9.315
   73   2HD1  ILE   7          HD12      ILE   7  18.999  -6.988 -10.593
   74   3HD1  ILE   7          HD13      ILE   7  17.444  -6.145 -10.479
   75    H    VAL   8           H        VAL   8  17.977  -5.243 -14.955
   76    HA   VAL   8           HA       VAL   8  16.421  -6.227 -17.301
   77    HB   VAL   8           HB       VAL   8  17.352  -3.348 -16.980
   78   1HG1  VAL   8          HG11      VAL   8  16.912  -4.184 -19.283
   79   2HG1  VAL   8          HG12      VAL   8  15.273  -4.655 -18.797
   80   3HG1  VAL   8          HG13      VAL   8  15.746  -2.941 -18.812
   81   1HG2  VAL   8          HG21      VAL   8  15.684  -3.617 -15.214
   82   2HG2  VAL   8          HG22      VAL   8  14.983  -2.709 -16.553
   83   3HG2  VAL   8          HG23      VAL   8  14.573  -4.422 -16.347
   84    H    ASP   9           H        ASP   9  17.707  -6.643 -19.095
   85    HA   ASP   9           HA       ASP   9  20.662  -6.347 -18.775
   86   1HB   ASP   9          HB2       ASP   9  19.919  -8.576 -18.044
   87   2HB   ASP   9          HB3       ASP   9  19.025  -8.785 -19.551
   88    H    GLY  10           H        GLY  10  21.782  -6.366 -20.804
   89   1HA   GLY  10          HA2       GLY  10  21.518  -6.688 -23.285
   90   2HA   GLY  10          HA3       GLY  10  20.125  -5.610 -23.172
   91    H    ARG  11           H        ARG  11  21.113  -4.139 -24.583
   92    HA   ARG  11           HA       ARG  11  23.500  -2.601 -23.740
   93   1HB   ARG  11          HB2       ARG  11  22.942  -2.929 -26.169
   94   2HB   ARG  11          HB3       ARG  11  21.408  -2.113 -25.904
   95   1HG   ARG  11          HG2       ARG  11  23.128  -0.205 -24.936
   96   2HG   ARG  11          HG3       ARG  11  24.173  -0.984 -26.119
   97   1HD   ARG  11          HD2       ARG  11  21.415   0.215 -26.609
   98   2HD   ARG  11          HD3       ARG  11  22.959   0.935 -27.088
   99    HE   ARG  11           HE       ARG  11  23.022  -1.484 -28.345
  100   1HH1  ARG  11          HH11      ARG  11  20.684   1.217 -28.331
  101   2HH1  ARG  11          HH12      ARG  11  20.150   0.923 -29.948
  102   1HH2  ARG  11          HH21      ARG  11  22.338  -1.812 -30.515
  103   2HH2  ARG  11          HH22      ARG  11  21.129  -0.809 -31.220
  104    H    VAL  12           H        VAL  12  22.663  -2.194 -21.545
  105    HA   VAL  12           HA       VAL  12  20.532  -0.095 -21.476
  106    HB   VAL  12           HB       VAL  12  19.607  -1.177 -19.471
  107   1HG1  VAL  12          HG11      VAL  12  18.398  -2.961 -20.576
  108   2HG1  VAL  12          HG12      VAL  12  18.596  -1.595 -21.682
  109   3HG1  VAL  12          HG13      VAL  12  19.596  -3.052 -21.872
  110   1HG2  VAL  12          HG21      VAL  12  21.299  -3.622 -20.123
  111   2HG2  VAL  12          HG22      VAL  12  21.629  -2.515 -18.783
  112   3HG2  VAL  12          HG23      VAL  12  20.120  -3.433 -18.820
  113    H    GLN  13           H        GLN  13  23.736  -0.960 -20.308
  114    HA   GLN  13           HA       GLN  13  23.395   0.430 -17.782
  115   1HB   GLN  13          HB2       GLN  13  25.914  -0.580 -19.170
  116   2HB   GLN  13          HB3       GLN  13  25.829   0.071 -17.530
  117   1HG   GLN  13          HG2       GLN  13  24.102  -1.741 -17.018
  118   2HG   GLN  13          HG3       GLN  13  24.563  -2.505 -18.542
  119   1HE2  GLN  13          HE22      GLN  13  24.984  -3.005 -15.431
  120   2HE2  GLN  13          HE21      GLN  13  26.669  -3.420 -15.301
  121    H    GLY  14           H        GLY  14  24.612   1.427 -20.957
  122   1HA   GLY  14          HA2       GLY  14  25.619   4.004 -19.809
  123   2HA   GLY  14          HA3       GLY  14  26.485   3.031 -21.003
  124    H    VAL  15           H        VAL  15  23.008   3.673 -20.915
  125    HA   VAL  15           HA       VAL  15  23.122   5.261 -23.431
  126    HB   VAL  15           HB       VAL  15  21.197   3.750 -24.206
  127   1HG1  VAL  15          HG11      VAL  15  22.645   2.139 -25.187
  128   2HG1  VAL  15          HG12      VAL  15  23.493   3.685 -25.143
  129   3HG1  VAL  15          HG13      VAL  15  23.913   2.413 -23.973
  130   1HG2  VAL  15          HG21      VAL  15  22.335   1.804 -22.148
  131   2HG2  VAL  15          HG22      VAL  15  20.761   2.627 -22.002
  132   3HG2  VAL  15          HG23      VAL  15  21.062   1.501 -23.325
  133    H    GLY  16           H        GLY  16  22.718   6.153 -20.712
  134   1HA   GLY  16          HA2       GLY  16  21.441   7.809 -19.792
  135   2HA   GLY  16          HA3       GLY  16  20.332   7.700 -21.159
  136    H    PHE  17           H        PHE  17  20.307   4.585 -20.193
  137    HA   PHE  17           HA       PHE  17  17.675   4.804 -19.457
  138   1HB   PHE  17          HB2       PHE  17  18.725   2.798 -20.440
  139   2HB   PHE  17          HB3       PHE  17  19.536   2.486 -18.905
  140    HD1  PHE  17           HD1      PHE  17  15.965   3.480 -19.640
  141    HD2  PHE  17           HD2      PHE  17  18.629   0.479 -18.058
  142    HE1  PHE  17           HE1      PHE  17  14.031   2.199 -18.863
  143    HE2  PHE  17           HE2      PHE  17  16.669  -0.849 -17.317
  144    HZ   PHE  17           HZ       PHE  17  14.365  -0.006 -17.726
  145    H    ARG  18           H        ARG  18  20.429   4.527 -17.158
  146    HA   ARG  18           HA       ARG  18  18.840   4.112 -14.824
  147   1HB   ARG  18          HB2       ARG  18  21.503   5.524 -15.253
  148   2HB   ARG  18          HB3       ARG  18  20.806   5.272 -13.649
  149   1HG   ARG  18          HG2       ARG  18  20.871   2.887 -13.852
  150   2HG   ARG  18          HG3       ARG  18  21.278   2.942 -15.565
  151   1HD   ARG  18          HD2       ARG  18  23.106   4.038 -13.384
  152   2HD   ARG  18          HD3       ARG  18  23.171   2.383 -13.982
  153    HE   ARG  18           HE       ARG  18  23.882   3.088 -16.115
  154   1HH1  ARG  18          HH21      ARG  18  23.752   5.843 -13.869
  155   2HH1  ARG  18          HH22      ARG  18  24.648   6.896 -14.904
  156   1HH2  ARG  18          HH11      ARG  18  25.119   4.358 -17.384
  157   2HH2  ARG  18          HH12      ARG  18  25.573   5.979 -16.936
  158    H    TYR  19           H        TYR  19  19.584   7.121 -16.591
  159    HA   TYR  19           HA       TYR  19  18.260   8.807 -14.624
  160   1HB   TYR  19          HB2       TYR  19  19.047   9.510 -17.472
  161   2HB   TYR  19          HB3       TYR  19  18.749  10.610 -16.133
  162    HD1  TYR  19           HD2      TYR  19  20.412  10.727 -14.204
  163    HD2  TYR  19           HD1      TYR  19  21.166   8.391 -17.740
  164    HE1  TYR  19           HE2      TYR  19  22.765  10.417 -13.493
  165    HE2  TYR  19           HE1      TYR  19  23.518   8.069 -17.048
  166    HH   TYR  19           HH       TYR  19  24.824   9.436 -13.995
  167    H    PHE  20           H        PHE  20  17.410   7.278 -17.776
  168    HA   PHE  20           HA       PHE  20  14.858   8.412 -18.133
  169   1HB   PHE  20          HB2       PHE  20  16.099   6.853 -19.714
  170   2HB   PHE  20          HB3       PHE  20  15.608   5.509 -18.684
  171    HD1  PHE  20           HD2      PHE  20  14.316   8.180 -20.941
  172    HD2  PHE  20           HD1      PHE  20  13.440   4.535 -18.802
  173    HE1  PHE  20           HE2      PHE  20  12.208   7.925 -22.226
  174    HE2  PHE  20           HE1      PHE  20  11.351   4.270 -20.110
  175    HZ   PHE  20           HZ       PHE  20  10.726   5.967 -21.819
  176    H    VAL  21           H        VAL  21  15.761   5.426 -16.315
  177    HA   VAL  21           HA       VAL  21  13.196   4.903 -15.240
  178    HB   VAL  21           HB       VAL  21  15.989   4.222 -14.229
  179   1HG1  VAL  21          HG11      VAL  21  14.952   2.427 -12.939
  180   2HG1  VAL  21          HG12      VAL  21  14.301   3.963 -12.397
  181   3HG1  VAL  21          HG13      VAL  21  13.341   2.918 -13.475
  182   1HG2  VAL  21          HG21      VAL  21  15.535   2.005 -15.244
  183   2HG2  VAL  21          HG22      VAL  21  13.958   2.585 -15.826
  184   3HG2  VAL  21          HG23      VAL  21  15.451   3.268 -16.464
  185    H    GLN  22           H        GLN  22  15.889   6.983 -13.988
  186    HA   GLN  22           HA       GLN  22  14.734   7.532 -11.495
  187   1HB   GLN  22          HB2       GLN  22  17.076   8.194 -12.376
  188   2HB   GLN  22          HB3       GLN  22  16.318   9.550 -13.158
  189   1HG   GLN  22          HG2       GLN  22  17.179  10.360 -11.099
  190   2HG   GLN  22          HG3       GLN  22  15.422  10.300 -10.902
  191   1HE2  GLN  22          HE22      GLN  22  16.987   7.200 -10.806
  192   2HE2  GLN  22          HE21      GLN  22  16.921   6.977  -9.069
  193    H    MET  23           H        MET  23  14.280   9.265 -14.592
  194    HA   MET  23           HA       MET  23  12.443  11.173 -13.451
  195   1HB   MET  23          HB2       MET  23  13.049  10.401 -16.335
  196   2HB   MET  23          HB3       MET  23  12.094  11.809 -15.830
  197   1HG   MET  23          HG2       MET  23  14.021  12.656 -14.523
  198   2HG   MET  23          HG3       MET  23  15.005  11.299 -15.035
  199   1HE   MET  23          HE1       MET  23  14.470  10.905 -18.109
  200   2HE   MET  23          HE2       MET  23  15.662  12.011 -18.820
  201   3HE   MET  23          HE3       MET  23  16.101  11.032 -17.407
  202    H    GLU  24           H        GLU  24  12.029   8.045 -15.167
  203    HA   GLU  24           HA       GLU  24   9.177   8.282 -15.342
  204   1HB   GLU  24          HB2       GLU  24  11.149   5.985 -15.611
  205   2HB   GLU  24          HB3       GLU  24   9.416   5.700 -15.674
  206   1HG   GLU  24          HG2       GLU  24  10.923   7.608 -17.517
  207   2HG   GLU  24          HG3       GLU  24  10.382   5.985 -17.936
  208    H    ALA  25           H        ALA  25  11.270   7.207 -12.684
  209    HA   ALA  25           HA       ALA  25   9.034   6.173 -11.113
  210   1HB   ALA  25          HB1       ALA  25  11.784   7.213 -10.296
  211   2HB   ALA  25          HB2       ALA  25  10.657   6.348  -9.238
  212   3HB   ALA  25          HB3       ALA  25  11.382   5.522 -10.628
  213    H    ASP  26           H        ASP  26  10.936   9.225 -11.272
  214    HA   ASP  26           HA       ASP  26   9.643  10.598  -9.207
  215   1HB   ASP  26          HB2       ASP  26  11.744  11.344 -10.191
  216   2HB   ASP  26          HB3       ASP  26  10.943  11.686 -11.728
  217    H    LYS  27           H        LYS  27   8.721  10.462 -12.699
  218    HA   LYS  27           HA       LYS  27   6.597  12.309 -12.328
  219   1HB   LYS  27          HB2       LYS  27   6.055  12.050 -14.560
  220   2HB   LYS  27          HB3       LYS  27   7.784  11.902 -14.438
  221   1HG   LYS  27          HG2       LYS  27   7.480  10.225 -15.880
  222   2HG   LYS  27          HG3       LYS  27   7.213   9.261 -14.426
  223   1HD   LYS  27          HD2       LYS  27   4.829   9.333 -14.710
  224   2HD   LYS  27          HD3       LYS  27   4.909  10.640 -15.889
  225   1HE   LYS  27          HE2       LYS  27   5.956   7.820 -16.375
  226   2HE   LYS  27          HE3       LYS  27   4.366   8.410 -16.863
  227   1HZ   LYS  27          HZ1       LYS  27   7.005   9.187 -17.916
  228   2HZ   LYS  27          HZ2       LYS  27   5.730   8.602 -18.714
  229   3HZ   LYS  27          HZ3       LYS  27   5.667  10.145 -18.176
  230    H    ARG  28           H        ARG  28   6.705   9.290 -11.020
  231    HA   ARG  28           HA       ARG  28   3.736   9.362 -10.631
  232   1HB   ARG  28          HB2       ARG  28   5.634   6.993 -10.752
  233   2HB   ARG  28          HB3       ARG  28   4.003   6.874 -10.106
  234   1HG   ARG  28          HG2       ARG  28   3.033   6.742 -12.126
  235   2HG   ARG  28          HG3       ARG  28   3.996   8.068 -12.798
  236   1HD   ARG  28          HD2       ARG  28   5.923   6.600 -13.004
  237   2HD   ARG  28          HD3       ARG  28   4.993   5.217 -12.391
  238    HE   ARG  28           HE       ARG  28   3.440   5.853 -14.428
  239   1HH1  ARG  28          HH11      ARG  28   6.999   5.991 -14.436
  240   2HH1  ARG  28          HH12      ARG  28   7.105   5.827 -16.165
  241   1HH2  ARG  28          HH21      ARG  28   3.666   5.429 -16.723
  242   2HH2  ARG  28          HH22      ARG  28   5.241   5.268 -17.401
  243    H    LYS  29           H        LYS  29   6.448  10.410  -9.241
  244    HA   LYS  29           HA       LYS  29   7.477  10.453  -7.257
  245   1HB   LYS  29          HB2       LYS  29   4.607  10.512  -6.250
  246   2HB   LYS  29          HB3       LYS  29   6.034  11.032  -5.344
  247   1HG   LYS  29          HG2       LYS  29   6.517  12.758  -7.063
  248   2HG   LYS  29          HG3       LYS  29   5.057  12.281  -7.952
  249   1HD   LYS  29          HD2       LYS  29   3.661  12.854  -5.995
  250   2HD   LYS  29          HD3       LYS  29   5.117  13.343  -5.097
  251   1HE   LYS  29          HE2       LYS  29   5.601  15.061  -6.828
  252   2HE   LYS  29          HE3       LYS  29   4.152  14.577  -7.719
  253   1HZ   LYS  29          HZ1       LYS  29   2.826  15.282  -5.811
  254   2HZ   LYS  29          HZ2       LYS  29   4.167  15.730  -4.988
  255   3HZ   LYS  29          HZ3       LYS  29   3.741  16.517  -6.348
  256    H    LEU  30           H        LEU  30   7.428   7.835  -8.247
  257    HA   LEU  30           HA       LEU  30   6.894   5.977  -6.028
  258   1HB   LEU  30          HB2       LEU  30   8.440   5.730  -8.642
  259   2HB   LEU  30          HB3       LEU  30   8.287   4.416  -7.479
  260    HG   LEU  30           HG       LEU  30   5.911   5.776  -8.820
  261   1HD1  LEU  30          HD11      LEU  30   7.293   4.594 -10.470
  262   2HD1  LEU  30          HD12      LEU  30   7.250   3.131  -9.463
  263   3HD1  LEU  30          HD13      LEU  30   5.757   3.752 -10.201
  264   1HD2  LEU  30          HD21      LEU  30   5.224   4.757  -6.737
  265   2HD2  LEU  30          HD22      LEU  30   4.691   3.716  -8.056
  266   3HD2  LEU  30          HD23      LEU  30   6.126   3.267  -7.113
  267    H    ALA  31           H        ALA  31   8.778   4.741  -5.051
  268    HA   ALA  31           HA       ALA  31  11.112   6.512  -4.557
  269   1HB   ALA  31          HB1       ALA  31   9.292   7.117  -2.973
  270   2HB   ALA  31          HB2       ALA  31   9.188   5.414  -2.456
  271   3HB   ALA  31          HB3       ALA  31  10.659   6.355  -2.152
  272    H    GLY  32           H        GLY  32  12.951   5.406  -3.715
  273   1HA   GLY  32          HA2       GLY  32  13.679   2.916  -3.085
  274   2HA   GLY  32          HA3       GLY  32  12.935   2.597  -4.641
  275    H    TRP  33           H        TRP  33  14.907   1.990  -5.702
  276    HA   TRP  33           HA       TRP  33  16.614   4.264  -6.423
  277   1HB   TRP  33          HB2       TRP  33  18.695   3.041  -6.056
  278   2HB   TRP  33          HB3       TRP  33  17.840   3.340  -4.563
  279    HD1  TRP  33           HD1      TRP  33  18.497   0.367  -7.020
  280    HE1  TRP  33           HE1      TRP  33  18.670  -1.788  -5.662
  281    HE3  TRP  33           HE3      TRP  33  17.317   2.220  -2.370
  282    HZ2  TRP  33           HZ2      TRP  33  18.551  -2.571  -2.921
  283    HZ3  TRP  33           HZ3      TRP  33  17.395   0.730  -0.394
  284    HH2  TRP  33           HH2      TRP  33  18.025  -1.665  -0.644
  285    H    VAL  34           H        VAL  34  18.081   3.818  -8.200
  286    HA   VAL  34           HA       VAL  34  17.706   1.263  -9.603
  287    HB   VAL  34           HB       VAL  34  16.348   2.705 -10.927
  288   1HG1  VAL  34          HG11      VAL  34  18.646   4.699 -11.078
  289   2HG1  VAL  34          HG12      VAL  34  17.108   4.798 -11.962
  290   3HG1  VAL  34          HG13      VAL  34  17.119   4.913 -10.199
  291   1HG2  VAL  34          HG21      VAL  34  17.431   2.619 -13.098
  292   2HG2  VAL  34          HG22      VAL  34  19.034   2.531 -12.351
  293   3HG2  VAL  34          HG23      VAL  34  17.894   1.187 -12.170
  294    H    LYS  35           H        LYS  35  19.697   0.454 -10.388
  295    HA   LYS  35           HA       LYS  35  22.093   2.141 -10.203
  296   1HB   LYS  35          HB2       LYS  35  23.203   0.802  -8.539
  297   2HB   LYS  35          HB3       LYS  35  21.646   1.318  -7.883
  298   1HG   LYS  35          HG2       LYS  35  20.697  -0.938  -8.446
  299   2HG   LYS  35          HG3       LYS  35  22.310  -1.436  -8.967
  300   1HD   LYS  35          HD2       LYS  35  23.039  -0.646  -6.540
  301   2HD   LYS  35          HD3       LYS  35  21.300  -0.797  -6.197
  302   1HE   LYS  35          HE2       LYS  35  21.693  -3.123  -7.520
  303   2HE   LYS  35          HE3       LYS  35  23.350  -2.888  -6.942
  304   1HZ   LYS  35          HZ1       LYS  35  22.272  -2.698  -4.660
  305   2HZ   LYS  35          HZ2       LYS  35  20.866  -3.213  -5.396
  306   3HZ   LYS  35          HZ3       LYS  35  22.169  -4.178  -5.364
  307    H    ASN  36           H        ASN  36  24.001   1.035 -11.104
  308    HA   ASN  36           HA       ASN  36  23.339  -0.963 -13.163
  309   1HB   ASN  36          HB2       ASN  36  25.499  -0.773 -13.950
  310   2HB   ASN  36          HB3       ASN  36  25.195   0.857 -13.390
  311   1HD2  ASN  36          HD22      ASN  36  26.530   1.656 -11.615
  312   2HD2  ASN  36          HD21      ASN  36  27.805   0.682 -10.893
  313    H    ARG  37           H        ARG  37  24.400  -3.114 -13.149
  314    HA   ARG  37           HA       ARG  37  25.342  -4.051 -10.476
  315   1HB   ARG  37          HB2       ARG  37  23.548  -5.437 -12.510
  316   2HB   ARG  37          HB3       ARG  37  24.616  -6.360 -11.459
  317   1HG   ARG  37          HG2       ARG  37  23.568  -5.286  -9.458
  318   2HG   ARG  37          HG3       ARG  37  22.391  -4.495 -10.531
  319   1HD   ARG  37          HD2       ARG  37  21.524  -6.647 -11.261
  320   2HD   ARG  37          HD3       ARG  37  22.864  -7.505 -10.481
  321    HE   ARG  37           HE       ARG  37  21.151  -5.916  -8.679
  322   1HH1  ARG  37          HH21      ARG  37  21.738  -9.173 -10.019
  323   2HH1  ARG  37          HH22      ARG  37  20.920  -9.966  -8.726
  324   1HH2  ARG  37          HH11      ARG  37  20.135  -6.885  -7.089
  325   2HH2  ARG  37          HH12      ARG  37  19.989  -8.632  -6.943
  326    H    ASP  38           H        ASP  38  27.373  -4.835 -10.567
  327    HA   ASP  38           HA       ASP  38  29.043  -4.305 -12.748
  328   1HB   ASP  38          HB2       ASP  38  29.816  -4.456 -10.435
  329   2HB   ASP  38          HB3       ASP  38  29.429  -6.178 -10.384
  330    H    ASP  39           H        ASP  39  27.178  -7.207 -12.061
  331    HA   ASP  39           HA       ASP  39  28.504  -9.061 -13.751
  332   1HB   ASP  39          HB2       ASP  39  26.787  -9.626 -12.047
  333   2HB   ASP  39          HB3       ASP  39  25.550  -8.863 -13.052
  334    H    GLY  40           H        GLY  40  26.672  -6.245 -14.592
  335   1HA   GLY  40          HA2       GLY  40  27.053  -5.467 -16.851
  336   2HA   GLY  40          HA3       GLY  40  26.635  -7.067 -17.470
  337    H    ARG  41           H        ARG  41  24.657  -5.789 -14.841
  338    HA   ARG  41           HA       ARG  41  22.398  -5.507 -16.790
  339   1HB   ARG  41          HB2       ARG  41  21.978  -6.415 -13.955
  340   2HB   ARG  41          HB3       ARG  41  20.967  -6.672 -15.360
  341   1HG   ARG  41          HG2       ARG  41  23.484  -8.126 -14.566
  342   2HG   ARG  41          HG3       ARG  41  21.833  -8.752 -14.634
  343   1HD   ARG  41          HD2       ARG  41  21.860  -8.998 -16.955
  344   2HD   ARG  41          HD3       ARG  41  23.163  -7.828 -17.189
  345    HE   ARG  41           HE       ARG  41  24.038 -10.060 -15.585
  346   1HH1  ARG  41          HH21      ARG  41  23.554  -9.139 -19.015
  347   2HH1  ARG  41          HH22      ARG  41  24.791 -10.224 -19.562
  348   1HH2  ARG  41          HH11      ARG  41  25.538 -11.376 -16.268
  349   2HH2  ARG  41          HH12      ARG  41  25.937 -11.613 -17.958
  350    H    VAL  42           H        VAL  42  20.461  -4.435 -15.419
  351    HA   VAL  42           HA       VAL  42  21.502  -2.307 -13.622
  352    HB   VAL  42           HB       VAL  42  19.376  -2.060 -15.809
  353   1HG1  VAL  42          HG11      VAL  42  18.586  -0.830 -13.815
  354   2HG1  VAL  42          HG12      VAL  42  20.134   0.039 -13.728
  355   3HG1  VAL  42          HG13      VAL  42  19.045   0.274 -15.110
  356   1HG2  VAL  42          HG21      VAL  42  21.692  -1.764 -16.627
  357   2HG2  VAL  42          HG22      VAL  42  20.814  -0.236 -16.672
  358   3HG2  VAL  42          HG23      VAL  42  21.993  -0.543 -15.378
  359    H    GLU  43           H        GLU  43  20.153  -1.985 -11.818
  360    HA   GLU  43           HA       GLU  43  17.985  -3.983 -11.360
  361   1HB   GLU  43          HB2       GLU  43  19.832  -4.643  -9.983
  362   2HB   GLU  43          HB3       GLU  43  20.203  -2.976  -9.540
  363   1HG   GLU  43          HG2       GLU  43  18.005  -2.851  -8.294
  364   2HG   GLU  43          HG3       GLU  43  17.758  -4.568  -8.641
  365    H    ILE  44           H        ILE  44  16.112  -3.066 -10.702
  366    HA   ILE  44           HA       ILE  44  16.028  -0.225  -9.824
  367    HB   ILE  44           HB       ILE  44  14.017  -1.753 -11.521
  368   1HG1  ILE  44          HG12      ILE  44  15.737   0.454 -12.700
  369   2HG1  ILE  44          HG13      ILE  44  16.304  -1.198 -12.747
  370   1HG2  ILE  44          HG21      ILE  44  13.007   0.495 -11.912
  371   2HG2  ILE  44          HG22      ILE  44  13.036   0.075 -10.201
  372   3HG2  ILE  44          HG23      ILE  44  14.234   1.212 -10.849
  373   1HD1  ILE  44          HD11      ILE  44  14.320  -1.975 -13.847
  374   2HD1  ILE  44          HD12      ILE  44  13.690  -0.305 -13.926
  375   3HD1  ILE  44          HD13      ILE  44  15.180  -0.736 -14.793
  376    H    LEU  45           H        LEU  45  14.757  -0.025  -7.911
  377    HA   LEU  45           HA       LEU  45  13.146  -2.343  -7.011
  378   1HB   LEU  45          HB2       LEU  45  15.663  -2.500  -6.329
  379   2HB   LEU  45          HB3       LEU  45  15.330  -1.153  -5.247
  380    HG   LEU  45           HG       LEU  45  13.933  -3.871  -5.250
  381   1HD1  LEU  45          HD11      LEU  45  16.336  -3.912  -4.569
  382   2HD1  LEU  45          HD12      LEU  45  15.958  -2.732  -3.296
  383   3HD1  LEU  45          HD13      LEU  45  15.235  -4.353  -3.252
  384   1HD2  LEU  45          HD21      LEU  45  12.370  -2.329  -4.259
  385   2HD2  LEU  45          HD22      LEU  45  13.175  -3.111  -2.911
  386   3HD2  LEU  45          HD23      LEU  45  13.654  -1.465  -3.390
  387    H    ALA  46           H        ALA  46  11.241  -1.458  -6.169
  388    HA   ALA  46           HA       ALA  46  11.296   1.196  -4.963
  389   1HB   ALA  46          HB1       ALA  46  11.234   1.679  -7.453
  390   2HB   ALA  46          HB2       ALA  46   9.751   0.708  -7.571
  391   3HB   ALA  46          HB3       ALA  46   9.763   2.211  -6.625
  392    H    GLU  47           H        GLU  47   9.242   1.925  -4.281
  393    HA   GLU  47           HA       GLU  47   7.193  -0.148  -3.679
  394   1HB   GLU  47          HB2       GLU  47   8.644   0.266  -1.724
  395   2HB   GLU  47          HB3       GLU  47   8.423   2.012  -1.903
  396   1HG   GLU  47          HG2       GLU  47   5.951   1.664  -1.461
  397   2HG   GLU  47          HG3       GLU  47   6.307  -0.029  -1.123
  398    H    GLY  48           H        GLY  48   5.035   0.677  -3.805
  399   1HA   GLY  48          HA2       GLY  48   4.248   3.327  -3.653
  400   2HA   GLY  48          HA3       GLY  48   4.600   3.062  -5.359
  401    HA   PRO  49           HA       PRO  49   0.136   1.742  -4.688
  402   1HB   PRO  49          HB2       PRO  49  -0.014   3.511  -7.121
  403   2HB   PRO  49          HB3       PRO  49  -1.188   3.335  -5.785
  404   1HG   PRO  49          HG2       PRO  49   0.437   5.511  -5.937
  405   2HG   PRO  49          HG3       PRO  49   0.112   4.725  -4.357
  406   1HD   PRO  49          HD2       PRO  49   2.531   4.401  -6.152
  407   2HD   PRO  49          HD3       PRO  49   2.462   4.638  -4.380
  408    H    GLU  50           H        GLU  50  -0.636  -0.023  -5.922
  409    HA   GLU  50           HA       GLU  50   1.266  -1.335  -7.540
  410   1HB   GLU  50          HB2       GLU  50  -0.397  -3.051  -7.860
  411   2HB   GLU  50          HB3       GLU  50  -0.400  -2.492  -6.188
  412   1HG   GLU  50          HG2       GLU  50  -2.416  -1.082  -6.694
  413   2HG   GLU  50          HG3       GLU  50  -2.431  -1.732  -8.335
  414    H    ASN  51           H        ASN  51  -1.419   0.799  -8.526
  415    HA   ASN  51           HA       ASN  51  -1.269   0.078 -11.337
  416   1HB   ASN  51          HB2       ASN  51  -3.274   1.152 -10.418
  417   2HB   ASN  51          HB3       ASN  51  -2.343   2.585  -9.969
  418   1HD2  ASN  51          HD22      ASN  51  -2.299   4.252 -11.506
  419   2HD2  ASN  51          HD21      ASN  51  -2.647   4.032 -13.199
  420    H    ALA  52           H        ALA  52   0.259   2.597  -9.310
  421    HA   ALA  52           HA       ALA  52   1.581   3.980 -11.458
  422   1HB   ALA  52          HB1       ALA  52   2.976   4.909  -9.622
  423   2HB   ALA  52          HB2       ALA  52   1.243   5.026  -9.258
  424   3HB   ALA  52          HB3       ALA  52   2.241   3.774  -8.481
  425    H    LEU  53           H        LEU  53   2.539   1.320  -9.227
  426    HA   LEU  53           HA       LEU  53   5.157   0.952 -10.255
  427   1HB   LEU  53          HB2       LEU  53   3.171  -0.866  -8.851
  428   2HB   LEU  53          HB3       LEU  53   4.741  -1.451  -9.352
  429    HG   LEU  53           HG       LEU  53   4.352   0.908  -7.466
  430   1HD1  LEU  53          HD11      LEU  53   5.075  -0.687  -5.717
  431   2HD1  LEU  53          HD12      LEU  53   3.539  -1.160  -6.445
  432   3HD1  LEU  53          HD13      LEU  53   5.038  -2.012  -6.897
  433   1HD2  LEU  53          HD21      LEU  53   6.862  -0.690  -8.155
  434   2HD2  LEU  53          HD22      LEU  53   6.544   0.994  -8.617
  435   3HD2  LEU  53          HD23      LEU  53   6.741   0.575  -6.917
  436    H    GLN  54           H        GLN  54   2.046  -0.690 -11.251
  437    HA   GLN  54           HA       GLN  54   3.272  -2.273 -13.264
  438   1HB   GLN  54          HB2       GLN  54   0.473  -1.156 -12.930
  439   2HB   GLN  54          HB3       GLN  54   0.912  -2.151 -14.322
  440   1HG   GLN  54          HG2       GLN  54   1.471  -4.041 -12.967
  441   2HG   GLN  54          HG3       GLN  54   1.431  -3.100 -11.480
  442   1HE2  GLN  54          HE22      GLN  54  -0.616  -2.302 -10.696
  443   2HE2  GLN  54          HE21      GLN  54  -2.117  -3.134 -11.101
  444    H    SER  55           H        SER  55   1.981   1.072 -13.464
  445    HA   SER  55           HA       SER  55   2.495   1.447 -16.243
  446   1HB   SER  55          HB2       SER  55   2.543   3.519 -14.007
  447   2HB   SER  55          HB3       SER  55   2.271   3.811 -15.735
  448    HG   SER  55           HG       SER  55   0.597   2.443 -13.883
  449    H    PHE  56           H        PHE  56   4.592   1.840 -13.349
  450    HA   PHE  56           HA       PHE  56   6.812   2.876 -14.788
  451   1HB   PHE  56          HB2       PHE  56   6.424   3.137 -12.389
  452   2HB   PHE  56          HB3       PHE  56   6.670   1.424 -12.131
  453    HD1  PHE  56           HD1      PHE  56   8.758   3.788 -14.235
  454    HD2  PHE  56           HD2      PHE  56   8.472   1.412 -10.640
  455    HE1  PHE  56           HE1      PHE  56  11.108   4.327 -13.670
  456    HE2  PHE  56           HE2      PHE  56  10.819   1.958 -10.091
  457    HZ   PHE  56           HZ       PHE  56  12.129   3.432 -11.588
  458    H    VAL  57           H        VAL  57   5.781  -0.560 -14.090
  459    HA   VAL  57           HA       VAL  57   8.093  -1.710 -15.287
  460    HB   VAL  57           HB       VAL  57   5.308  -2.913 -15.534
  461   1HG1  VAL  57          HG11      VAL  57   8.096  -4.160 -15.423
  462   2HG1  VAL  57          HG12      VAL  57   6.560  -5.041 -15.595
  463   3HG1  VAL  57          HG13      VAL  57   7.121  -3.977 -16.885
  464   1HG2  VAL  57          HG21      VAL  57   7.258  -3.065 -13.217
  465   2HG2  VAL  57          HG22      VAL  57   5.569  -2.531 -13.185
  466   3HG2  VAL  57          HG23      VAL  57   5.931  -4.226 -13.465
  467    H    GLU  58           H        GLU  58   4.987  -0.581 -16.770
  468    HA   GLU  58           HA       GLU  58   5.586  -1.385 -19.409
  469   1HB   GLU  58          HB2       GLU  58   3.903   0.931 -18.384
  470   2HB   GLU  58          HB3       GLU  58   3.990   0.478 -20.076
  471   1HG   GLU  58          HG2       GLU  58   3.087  -1.426 -17.875
  472   2HG   GLU  58          HG3       GLU  58   1.999  -0.406 -18.808
  473    H    ALA  59           H        ALA  59   6.470   1.663 -17.684
  474    HA   ALA  59           HA       ALA  59   7.889   2.776 -19.886
  475   1HB   ALA  59          HB1       ALA  59   8.948   4.201 -18.210
  476   2HB   ALA  59          HB2       ALA  59   7.207   4.064 -17.903
  477   3HB   ALA  59          HB3       ALA  59   8.366   3.162 -16.898
  478    H    VAL  60           H        VAL  60   9.050   0.748 -17.128
  479    HA   VAL  60           HA       VAL  60  11.789   0.936 -17.733
  480    HB   VAL  60           HB       VAL  60  10.040  -0.890 -16.075
  481   1HG1  VAL  60          HG11      VAL  60  11.821  -2.413 -16.695
  482   2HG1  VAL  60          HG12      VAL  60  13.049  -1.195 -16.298
  483   3HG1  VAL  60          HG13      VAL  60  12.024  -1.892 -15.023
  484   1HG2  VAL  60          HG21      VAL  60  11.135   0.246 -14.216
  485   2HG2  VAL  60          HG22      VAL  60  12.288   1.032 -15.316
  486   3HG2  VAL  60          HG23      VAL  60  10.581   1.480 -15.352
  487    H    LYS  61           H        LYS  61   9.396  -1.577 -18.759
  488    HA   LYS  61           HA       LYS  61  11.373  -3.274 -19.883
  489   1HB   LYS  61          HB2       LYS  61   9.583  -4.469 -20.945
  490   2HB   LYS  61          HB3       LYS  61   9.155  -4.038 -19.290
  491   1HG   LYS  61          HG2       LYS  61   7.756  -2.149 -20.172
  492   2HG   LYS  61          HG3       LYS  61   8.197  -2.606 -21.816
  493   1HD   LYS  61          HD2       LYS  61   5.998  -3.443 -21.269
  494   2HD   LYS  61          HD3       LYS  61   7.116  -4.803 -21.504
  495   1HE   LYS  61          HE2       LYS  61   7.264  -5.189 -19.124
  496   2HE   LYS  61          HE3       LYS  61   6.412  -3.672 -18.777
  497   1HZ   LYS  61          HZ1       LYS  61   4.977  -5.646 -18.594
  498   2HZ   LYS  61          HZ2       LYS  61   4.428  -4.551 -19.680
  499   3HZ   LYS  61          HZ3       LYS  61   5.154  -5.947 -20.189
  500    H    ASN  62           H        ASN  62  10.245  -0.245 -21.136
  501    HA   ASN  62           HA       ASN  62  10.799  -0.737 -23.928
  502   1HB   ASN  62          HB2       ASN  62   9.479   1.221 -23.049
  503   2HB   ASN  62          HB3       ASN  62  10.966   1.868 -22.348
  504   1HD2  ASN  62          HD22      ASN  62  12.345   3.054 -23.639
  505   2HD2  ASN  62          HD21      ASN  62  12.081   3.324 -25.358
  506    H    GLY  63           H        GLY  63  12.828  -0.074 -21.085
  507   1HA   GLY  63          HA2       GLY  63  15.105   0.402 -20.898
  508   2HA   GLY  63          HA3       GLY  63  15.317   0.167 -22.632
  509    H    SER  64           H        SER  64  16.580   2.362 -22.178
  510    HA   SER  64           HA       SER  64  14.831   4.716 -22.389
  511   1HB   SER  64          HB2       SER  64  16.866   5.898 -23.052
  512   2HB   SER  64          HB3       SER  64  17.141   4.981 -21.569
  513    HG   SER  64           HG       SER  64  18.853   4.728 -23.033
  514    HA   PRO  65           HA       PRO  65  14.141   4.403 -26.902
  515   1HB   PRO  65          HB2       PRO  65  15.420   7.150 -26.828
  516   2HB   PRO  65          HB3       PRO  65  14.030   6.590 -27.812
  517   1HG   PRO  65          HG2       PRO  65  13.594   7.981 -25.530
  518   2HG   PRO  65          HG3       PRO  65  12.599   6.535 -25.895
  519   1HD   PRO  65          HD2       PRO  65  14.908   6.792 -23.976
  520   2HD   PRO  65          HD3       PRO  65  13.397   5.832 -23.827
  521    H    PHE  66           H        PHE  66  17.311   5.027 -25.450
  522    HA   PHE  66           HA       PHE  66  18.735   4.490 -27.992
  523   1HB   PHE  66          HB2       PHE  66  19.844   5.208 -25.264
  524   2HB   PHE  66          HB3       PHE  66  20.690   5.262 -26.804
  525    HD1  PHE  66           HD2      PHE  66  19.635   6.909 -28.626
  526    HD2  PHE  66           HD1      PHE  66  18.904   7.164 -24.379
  527    HE1  PHE  66           HE2      PHE  66  18.927   9.274 -28.886
  528    HE2  PHE  66           HE1      PHE  66  18.194   9.528 -24.647
  529    HZ   PHE  66           HZ       PHE  66  18.204  10.587 -26.899
  530    H    SER  67           H        SER  67  17.577   2.773 -25.231
  531    HA   SER  67           HA       SER  67  19.779   0.918 -24.927
  532   1HB   SER  67          HB2       SER  67  16.866   0.830 -24.041
  533   2HB   SER  67          HB3       SER  67  18.109  -0.306 -23.515
  534    HG   SER  67           HG       SER  67  18.327   2.511 -23.121
  535    H    LYS  68           H        LYS  68  19.410  -1.412 -25.098
  536    HA   LYS  68           HA       LYS  68  17.187  -2.321 -26.772
  537   1HB   LYS  68          HB2       LYS  68  19.062  -2.304 -28.392
  538   2HB   LYS  68          HB3       LYS  68  20.032  -3.304 -27.297
  539   1HG   LYS  68          HG2       LYS  68  18.263  -5.083 -27.400
  540   2HG   LYS  68          HG3       LYS  68  17.366  -4.102 -28.559
  541   1HD   LYS  68          HD2       LYS  68  20.187  -5.197 -28.968
  542   2HD   LYS  68          HD3       LYS  68  18.701  -5.940 -29.577
  543   1HE   LYS  68          HE2       LYS  68  18.210  -3.854 -30.874
  544   2HE   LYS  68          HE3       LYS  68  19.753  -3.178 -30.337
  545   1HZ   LYS  68          HZ1       LYS  68  19.434  -5.630 -31.974
  546   2HZ   LYS  68          HZ2       LYS  68  19.939  -4.186 -32.524
  547   3HZ   LYS  68          HZ3       LYS  68  20.868  -5.023 -31.477
  548    H    VAL  69           H        VAL  69  16.215  -3.000 -24.875
  549    HA   VAL  69           HA       VAL  69  17.544  -4.595 -22.846
  550    HB   VAL  69           HB       VAL  69  14.593  -4.413 -23.638
  551   1HG1  VAL  69          HG11      VAL  69  15.914  -5.495 -21.110
  552   2HG1  VAL  69          HG12      VAL  69  14.168  -5.226 -21.310
  553   3HG1  VAL  69          HG13      VAL  69  14.992  -6.428 -22.301
  554   1HG2  VAL  69          HG21      VAL  69  16.121  -2.877 -21.493
  555   2HG2  VAL  69          HG22      VAL  69  15.389  -2.196 -22.961
  556   3HG2  VAL  69          HG23      VAL  69  14.359  -2.871 -21.705
  557    H    THR  70           H        THR  70  18.020  -6.789 -23.014
  558    HA   THR  70           HA       THR  70  16.874  -8.299 -25.322
  559    HB   THR  70           HB       THR  70  18.924  -9.677 -25.172
  560    HG1  THR  70           HG1      THR  70  20.543  -9.109 -23.844
  561   1HG2  THR  70          HG21      THR  70  18.786  -7.743 -26.767
  562   2HG2  THR  70          HG22      THR  70  19.539  -6.704 -25.537
  563   3HG2  THR  70          HG23      THR  70  20.441  -8.071 -26.225
  564    H    ASP  71           H        ASP  71  17.183  -8.109 -21.808
  565    HA   ASP  71           HA       ASP  71  15.121 -10.129 -21.602
  566   1HB   ASP  71          HB2       ASP  71  17.169 -11.552 -21.539
  567   2HB   ASP  71          HB3       ASP  71  17.798 -10.580 -20.211
  568    H    ILE  72           H        ILE  72  14.164 -10.086 -19.450
  569    HA   ILE  72           HA       ILE  72  14.971  -8.023 -17.570
  570    HB   ILE  72           HB       ILE  72  13.688  -6.678 -19.076
  571   1HG1  ILE  72          HG12      ILE  72  11.853  -7.314 -16.732
  572   2HG1  ILE  72          HG13      ILE  72  13.368  -6.423 -16.590
  573   1HG2  ILE  72          HG21      ILE  72  11.371  -7.106 -19.754
  574   2HG2  ILE  72          HG22      ILE  72  12.399  -8.422 -20.286
  575   3HG2  ILE  72          HG23      ILE  72  11.362  -8.637 -18.859
  576   1HD1  ILE  72          HD11      ILE  72  10.938  -5.547 -18.200
  577   2HD1  ILE  72          HD12      ILE  72  11.524  -4.863 -16.683
  578   3HD1  ILE  72          HD13      ILE  72  12.500  -4.692 -18.155
  579    H    SER  73           H        SER  73  14.173  -8.472 -15.508
  580    HA   SER  73           HA       SER  73  12.619 -10.978 -15.081
  581   1HB   SER  73          HB2       SER  73  15.290 -10.189 -13.809
  582   2HB   SER  73          HB3       SER  73  14.320 -11.611 -13.387
  583    HG   SER  73           HG       SER  73  16.014 -12.110 -14.847
  584    H    VAL  74           H        VAL  74  11.473 -10.951 -13.055
  585    HA   VAL  74           HA       VAL  74  11.400  -8.346 -11.621
  586    HB   VAL  74           HB       VAL  74   8.990  -9.882 -12.687
  587   1HG1  VAL  74          HG11      VAL  74   8.392  -8.745 -10.626
  588   2HG1  VAL  74          HG12      VAL  74   9.167  -7.243 -11.158
  589   3HG1  VAL  74          HG13      VAL  74   7.707  -7.843 -11.972
  590   1HG2  VAL  74          HG21      VAL  74   8.605  -7.888 -14.147
  591   2HG2  VAL  74          HG22      VAL  74  10.207  -7.276 -13.689
  592   3HG2  VAL  74          HG23      VAL  74  10.046  -8.801 -14.581
  593    H    THR  75           H        THR  75  10.887  -8.507  -9.474
  594    HA   THR  75           HA       THR  75  10.088 -11.116  -8.310
  595    HB   THR  75           HB       THR  75  11.944  -9.209  -6.863
  596    HG1  THR  75           HG1      THR  75  12.830 -10.023  -8.972
  597   1HG2  THR  75          HG21      THR  75  11.578 -12.224  -6.674
  598   2HG2  THR  75          HG22      THR  75  12.608 -11.214  -5.631
  599   3HG2  THR  75          HG23      THR  75  10.849 -11.018  -5.587
  600    H    GLU  76           H        GLU  76   8.021 -10.632  -7.510
  601    HA   GLU  76           HA       GLU  76   7.293  -7.880  -6.790
  602   1HB   GLU  76          HB2       GLU  76   5.153  -8.835  -6.146
  603   2HB   GLU  76          HB3       GLU  76   5.585  -9.289  -7.793
  604   1HG   GLU  76          HG2       GLU  76   6.310 -11.543  -6.952
  605   2HG   GLU  76          HG3       GLU  76   5.788 -11.079  -5.330
  606    H    SER  77           H        SER  77   6.993  -7.213  -4.628
  607    HA   SER  77           HA       SER  77   8.191  -8.888  -2.483
  608   1HB   SER  77          HB2       SER  77   9.087  -6.063  -3.190
  609   2HB   SER  77          HB3       SER  77   9.763  -7.121  -1.940
  610    HG   SER  77           HG       SER  77  11.085  -7.149  -3.750
  611    H    ARG  78           H        ARG  78   7.778  -7.983  -0.330
  612    HA   ARG  78           HA       ARG  78   6.305  -5.497  -0.207
  613   1HB   ARG  78          HB2       ARG  78   4.664  -7.634  -0.333
  614   2HB   ARG  78          HB3       ARG  78   4.952  -7.657   1.410
  615   1HG   ARG  78          HG2       ARG  78   4.147  -5.308   1.563
  616   2HG   ARG  78          HG3       ARG  78   4.070  -5.217  -0.208
  617   1HD   ARG  78          HD2       ARG  78   2.430  -7.211  -0.069
  618   2HD   ARG  78          HD3       ARG  78   2.296  -6.814   1.657
  619    HE   ARG  78           HE       ARG  78   1.915  -4.425   0.181
  620   1HH1  ARG  78          HH21      ARG  78   0.223  -7.516   0.672
  621   2HH1  ARG  78          HH22      ARG  78  -1.310  -6.904   0.179
  622   1HH2  ARG  78          HH11      ARG  78  -0.048  -3.650  -0.533
  623   2HH2  ARG  78          HH12      ARG  78  -1.492  -4.619  -0.486
  624    H    SER  79           H        SER  79   8.915  -6.298   0.412
  625    HA   SER  79           HA       SER  79   9.208  -6.397   3.355
  626   1HB   SER  79          HB2       SER  79  11.276  -6.427   1.107
  627   2HB   SER  79          HB3       SER  79  11.584  -6.679   2.837
  628    HG   SER  79           HG       SER  79  11.435  -8.653   1.681
  629    H    LEU  80           H        LEU  80   7.872  -4.348   3.098
  630    HA   LEU  80           HA       LEU  80   8.529  -2.243   1.453
  631   1HB   LEU  80          HB2       LEU  80   7.118  -2.079   4.148
  632   2HB   LEU  80          HB3       LEU  80   7.092  -0.840   2.905
  633    HG   LEU  80           HG       LEU  80   5.835  -3.597   2.794
  634   1HD1  LEU  80          HD11      LEU  80   3.763  -2.340   2.465
  635   2HD1  LEU  80          HD12      LEU  80   4.580  -1.812   3.943
  636   3HD1  LEU  80          HD13      LEU  80   4.664  -0.806   2.480
  637   1HD2  LEU  80          HD21      LEU  80   6.767  -3.305   0.569
  638   2HD2  LEU  80          HD22      LEU  80   5.029  -2.992   0.488
  639   3HD2  LEU  80          HD23      LEU  80   6.169  -1.634   0.496
  640    H    GLU  81           H        GLU  81   9.331  -0.183   1.711
  641    HA   GLU  81           HA       GLU  81  11.734  -0.091   3.481
  642   1HB   GLU  81          HB2       GLU  81  12.997   0.723   1.598
  643   2HB   GLU  81          HB3       GLU  81  12.225  -0.802   1.187
  644   1HG   GLU  81          HG2       GLU  81  10.368   0.650   0.063
  645   2HG   GLU  81          HG3       GLU  81  11.498   1.987   0.198
  646    H    GLY  82           H        GLY  82   8.880   1.555   2.419
  647   1HA   GLY  82          HA2       GLY  82   7.924   3.462   3.195
  648   2HA   GLY  82          HA3       GLY  82   9.097   3.422   4.520
  649    H    HIS  83           H        HIS  83  10.372   3.640   1.275
  650    HA   HIS  83           HA       HIS  83  11.757   6.072   1.867
  651   1HB   HIS  83          HB2       HIS  83  11.343   4.436  -0.673
  652   2HB   HIS  83          HB3       HIS  83  12.269   5.932  -0.636
  653    HD1  HIS  83           HD1      HIS  83  12.833   3.590   2.353
  654    HD2  HIS  83           HD2      HIS  83  14.452   4.646  -1.396
  655    HE1  HIS  83           HE1      HIS  83  15.240   2.780   2.352
  656    H    HIS  84           H        HIS  84  11.472   8.125   1.024
  657    HA   HIS  84           HA       HIS  84   8.924   8.783  -0.382
  658   1HB   HIS  84          HB2       HIS  84  10.224  10.158   2.007
  659   2HB   HIS  84          HB3       HIS  84   9.044  10.951   0.976
  660    HD1  HIS  84           HD1      HIS  84   9.016   7.636   3.110
  661    HD2  HIS  84           HD2      HIS  84   6.616  10.810   1.707
  662    HE1  HIS  84           HE1      HIS  84   6.740   7.328   4.165
  663    H    ARG  85           H        ARG  85  11.615   8.145  -1.391
  664    HA   ARG  85           HA       ARG  85  12.182  10.451  -3.062
  665   1HB   ARG  85          HB2       ARG  85  14.704  10.135  -2.465
  666   2HB   ARG  85          HB3       ARG  85  13.723  11.159  -1.428
  667   1HG   ARG  85          HG2       ARG  85  13.763   9.713   0.358
  668   2HG   ARG  85          HG3       ARG  85  13.969   8.262  -0.622
  669   1HD   ARG  85          HD2       ARG  85  16.197  10.306  -0.490
  670   2HD   ARG  85          HD3       ARG  85  15.963   9.164   0.830
  671    HE   ARG  85           HE       ARG  85  16.877   8.563  -1.900
  672   1HH1  ARG  85          HH22      ARG  85  15.772   7.177   1.192
  673   2HH1  ARG  85          HH21      ARG  85  16.094   5.544   0.706
  674   1HH2  ARG  85          HH11      ARG  85  17.437   6.489  -2.439
  675   2HH2  ARG  85          HH12      ARG  85  17.205   5.148  -1.343
  676    H    PHE  86           H        PHE  86  13.458   9.755  -4.883
  677    HA   PHE  86           HA       PHE  86  13.918   6.838  -5.100
  678   1HB   PHE  86          HB2       PHE  86  12.165   7.927  -6.715
  679   2HB   PHE  86          HB3       PHE  86  13.548   8.674  -7.474
  680    HD1  PHE  86           HD2      PHE  86  12.480   5.258  -6.256
  681    HD2  PHE  86           HD1      PHE  86  14.274   7.544  -9.379
  682    HE1  PHE  86           HE2      PHE  86  12.938   3.160  -7.494
  683    HE2  PHE  86           HE1      PHE  86  14.725   5.451 -10.658
  684    HZ   PHE  86           HZ       PHE  86  14.073   3.253  -9.700
  685    H    SER  87           H        SER  87  16.039   6.298  -5.889
  686    HA   SER  87           HA       SER  87  17.934   8.604  -6.217
  687   1HB   SER  87          HB2       SER  87  18.328   6.057  -4.597
  688   2HB   SER  87          HB3       SER  87  19.536   7.332  -4.830
  689    HG   SER  87           HG       SER  87  18.180   8.776  -3.770
  690    H    ILE  88           H        ILE  88  19.920   8.143  -7.294
  691    HA   ILE  88           HA       ILE  88  19.968   5.686  -8.965
  692    HB   ILE  88           HB       ILE  88  21.679   8.158  -9.437
  693   1HG1  ILE  88          HG12      ILE  88  19.150   7.395 -10.943
  694   2HG1  ILE  88          HG13      ILE  88  19.317   8.788  -9.852
  695   1HG2  ILE  88          HG21      ILE  88  20.997   5.766 -11.217
  696   2HG2  ILE  88          HG22      ILE  88  22.149   7.062 -11.597
  697   3HG2  ILE  88          HG23      ILE  88  22.509   5.940 -10.294
  698   1HD1  ILE  88          HD11      ILE  88  19.438   9.606 -12.074
  699   2HD1  ILE  88          HD12      ILE  88  21.074   9.705 -11.394
  700   3HD1  ILE  88          HD13      ILE  88  20.647   8.410 -12.545
  701    H    VAL  89           H        VAL  89  21.683   4.314  -8.415
  702    HA   VAL  89           HA       VAL  89  23.725   5.321  -6.491
  703    HB   VAL  89           HB       VAL  89  22.432   2.572  -6.360
  704   1HG1  VAL  89          HG11      VAL  89  23.525   2.452  -4.141
  705   2HG1  VAL  89          HG12      VAL  89  24.696   2.580  -5.447
  706   3HG1  VAL  89          HG13      VAL  89  24.318   4.010  -4.452
  707   1HG2  VAL  89          HG21      VAL  89  20.727   4.197  -5.686
  708   2HG2  VAL  89          HG22      VAL  89  21.330   3.339  -4.275
  709   3HG2  VAL  89          HG23      VAL  89  21.887   4.996  -4.600
  710    H    TYR  90           H        TYR  90  25.794   4.253  -6.724
  711    HA   TYR  90           HA       TYR  90  26.246   3.483  -9.568
  712   1HB   TYR  90          HB2       TYR  90  27.741   5.487  -7.846
  713   2HB   TYR  90          HB3       TYR  90  28.202   4.981  -9.465
  714    HD1  TYR  90           HD2      TYR  90  26.854   5.631 -11.451
  715    HD2  TYR  90           HD1      TYR  90  25.875   7.050  -7.493
  716    HE1  TYR  90           HE2      TYR  90  25.442   7.411 -12.437
  717    HE2  TYR  90           HE1      TYR  90  24.444   8.814  -8.469
  718    HH   TYR  90           HH       TYR  90  23.684   9.819 -10.435
  719    H    SER  91           H        SER  91  26.106   1.317  -8.535
  720    HA   SER  91           HA       SER  91  27.900   0.133  -6.817
  721   1HB   SER  91          HB2       SER  91  27.031  -1.110  -9.439
  722   2HB   SER  91          HB3       SER  91  27.274  -1.903  -7.882
  723    HG   SER  91           HG       SER  91  25.039  -1.243  -8.795